@text
References:  "THE KINEMAGE: A TOOL FOR SCIENTIFIC COMMUNICATION"
D.C. Richardson and J.S. Richardson (1992) Protein Science 1:3-9
  Trends in Biochem. Sci. (1994) 19: 135-8
  International Tables for Crystallography vol. F (1999), chapter 25.2.13

                  Contents of  Demo5_4b.kin  file:
    FURTHER EXAMPLES FOR AUTHORS (scroll this window to read text):
*{Kin 1}* Palette of colors available in MAGE
*{Kin 2}* Format example of a kinemage file
*{Kin 3}* NMR Zn finger: on-screen editing (colors, views, labels, pruning, adding bonds, text editing, etc., & write-out)  
*{Kin 4}* Ribbon schematic of BPTI (ribbons by Prekin)
*{Kin 5}* Asn/Gln flips, by small-probe contact dots (Reduce & Probe, list color, lens)
*{Kin 6}* Phi vs Psi vs Chi1 plot for Phe (showing a non-molecule in 3-D)

( ( (        contents of  demo3_1a.kin  file - reader's tutorial:
Kin.1- CPase A active site motions (basic operations, pointIDs, animation)
Kin.2- Carbonic anhydrase, Calphas & active site (zoom, center, stereo, views, find) 
Kin.3- Streptavidin/biotin complex (ball&sticks, viewIDs)
Kin.4- Geodesic dome, constructed from a cube (animated tour: moview, wordlist)
Kin.5- Leucine zipper structure (slab, ztrans, options, write Postscript)
Kin.6- Alpha helix (drawline, construction, dragline, labels, and measures)        ) ) )

     COLOR PALETTE - *{Kinemage 1}*

     MAGE divides the 256 colors available on an 8-bit display into five bins for depth cuing (plus a few other colors for background, default, etc.).  The result is provision for 50 nameable colors in a kinemage, each having 5 different values for depth-cuing.  25 of the colors are the basic set used on black backgrounds, while the other 25 approximations for use on a white background.  The 25 basic colors are depth-cued by intensity (that is, they get darker to merge with the background as they get farther away).  The white-background colors are depth-cued by saturation, so that they become whiter, or "foggier", as they get farther away.  This means that the starting color values when at front need to be somewhat different for the two cases; the extreme example is that the default white becomes black when on a white background.  The color names are chosen to fit the black-background colors, since that is the option strongly preferred for molecules.  White background is essential for screen-capture for B&W printing, and is also good for 3-D plots where you don't want to lose information at the very back (see file Atkins.kin in Protein Science 1_3).
     The palette presently available in MAGE is shown in kinemage 1.  There are 20 basic colors defined, of which 12 form a spectral color-wheel: red, orange, gold, yellow, green, sea, cyan, sky, blue, purple, magenta, and hotpink.  There are four low-saturation pastels: bluetint, greentint, pinktint and yellowtint.  Pink, sea, and sky (and in some cases yellow) function as mid-saturation colors.  The other 3 colors are white, gray, and brown.  If you forget to specify a color, it will be drawn as white (the default).
     The most important, primitive function of color in any kind of illustration is to distinguish between two different things.  There are about a dozen colors out of the set shown here which are distinct at a glance.  These are assignable in several combinations, depending on where one starts: for instance, red and gold are quite distinct, as are orange and yellow, but red vs. orange or orange vs. gold might be confused.  One commonly-needed distinction is between atom types: the usual convention is to make C white, S yellow, O red, and N blue;  by extension, + charges and N-termini are some shade of blue and - charges and C-termini some shade of red, and hydrophobics can be gold (oil-colored) and polars cyan.  On a single atom dot or vector the colors must be quite bright and different to be readily distinguished, while quite subtle color differences (such as the "tints") is effective for entire subunits or domains.
    The second function of color is to provide emphasis.  Bright or saturated colors are more strongly noticeable in general, but the eye is less sensitive to blue and red than to green.  The most important parts of a kinemage should be colored white, green, yellow, or hotpink; second choices would be cyan, red, or magenta.  The parts that need to be observable but definitely not emphasized can be downplayed by coloring them blue, purple, gray, or brown.  Labels work well either in gray, or in a different saturation of the same color-hue as the object.  Saturation increases noticeability, but complementary colors are unpleasant to look at, because they "clash", or vibrate, with one another; they also give false depth cues, because blue appears to be farther away than red (short wavelength, blue radiation is focussed further out in the eye than the longer-wavelength red).  In general, primaries are most effective when used with white or with related but non-saturated colors, rather than just with each other.
     The third function of color is to show which objects are related, by giving them perceptually-similar colors.  Often, one wishes to show relatedness along two different dimensions simultaneously;  one such dimension can be hue and another saturation, as for instance in using bluetint and pinktint for the mainchain of two different subunits, sky and pink for their respective sidechains, and blue and hotpink for their prosthetic groups.  "Cool" blues and greens appear similar, in contrast to "warm" reds and yellows.  The most similar sets within the MAGE palette are those that differ only in saturation: for instance green, sea, greentint, and white.
     Gray is the most neutral to use along with a color scale (as, for instance, in the palette labels).  Rotate the palette, in order to see the effect of intensity change with depth (return by choosing 'View1' under the 'Views' menu).  Colors are specified by their names in kinemage files, as seen below for the file format example in Kin. 2.  On-screen editing of colors is described in Kin. 3.

     FILE FORMAT EXAMPLE - *{Kinemage 2}*,  5PTI  Met 52 alternate conformers

     After this explanation is the entire contents of a small example kinemage file, identical to the one which produces Kinemage 2 except that the dot in "@.kinemage" allows the program to treat it as part of the text file.  The residue shown here is Met 52 of BPTI, with an animation between the two sidechain conformations found in the crystal structure.  View2 gives a view down the Cbeta-Cgamma vector, to see that the conformational change is almost entirely in the Chi2 angle.
     This is a small file for readability, but it illustrates how to set up most of the commonly-used display features.  All keywords start with an "@" symbol followed by the keyword and various parameters.  A file for an entire article starts with the keyword "@.text"(sans .), followed by whatever should appear in the text window (up to 32K), then by the series of kinemages.  Each kinemage may have a caption and up to 60 views, each with a zoom, zslab, center, orientation matrix, and view_ID (views are normally chosen in MAGE, written out, and pasted into the kinemage file).  Keywords that reset default options (such as "@onewidth" or "@thinline") also occur between the caption and the first display object.  A complete list of keywords and parameters, with their meanings, is given in the KinFmt54.txt file, available from the Web or FTP site at kinemage.biochem.duke.edu.
     Display objects are heirarchical, with groups as the upper level, subgroups intermediate (optional), and vector, dot, label, word, ball, sphere, triangle, or ribbon lists under each group.  The program makes a button for each display object (except for ones under a group or subgroup with a "dominant" parameter, which is a mechanism for putting multiple objects or colors under the control of a single button, as for the blue N and red O atoms below).  Buttons are named by what appears in { }.   For an individual point triple, the pointID in { } shows on the information line when the point is picked.  The "off" parameter on a group, subgroup, or list specifies that the kinemage will come up without that object displayed (e.g., for the label in Kin. 2).  Groups to be animated have an "animate" or "2animate" parameter.
     Master buttons provide a way of controlling display objects in sets that are independent of the group-subgroup-list heirarchy.  They are specified by adding a parameter "master= {masterbuttonname}" to the first line of each of the objects;  for each different masterbuttonname, the program will make a master button.  Any time there are multiple groups with similar objects in each, it is probably best to use dominant groups and master buttons (as done below for the two groups animated).
     Where possible, MAGE has been made tolerant of minor format variations, but the example below uses the officially-supported version of the format.  Vectors can be specified either in full "P, L" form, or in a more compact "P,L,L,L" form with no repeated point triples (as below), or with all "L" omitted (as in the files distributed with Protein Science).  The compact versions conserve file storage but do not affect display speed, since the program ignores locally-redundant points anyway.  Coordinate triples can be separated by either blanks or commas or both.  For parameters with values, the parameter ends with "=" and has no internal spaces, while there should be a space before the value (e.g., "color= sky", or "master= {SS}").  Parameters can appear in any order between the keyword and the end of that line.  Comments within "< >" are totally ignored in most places, but are displayed character strings when associated with points of a wordlist.  The blank lines are for clarity, and are ignored.  The program will display files with no {pointID}s for the point triples, but then the reader cannot identify an atom by picking it and an author (or enterprising reader) cannot easily edit the kinemage file.  The sulfur atoms here are depicted as spheres (shown with 5 layers), specified by a "spherelist".  The N and O atoms are specified by the simpler "balllist" representation (a circle with a highlight and shortened lines), which must come before the vectorlists for bonds to those atoms.
    For the palette of colors, the color names, and suggestions on the use of these colors, see kinemage 1 above.  For on-screen editing, see Kin. 3.  For a complete format description, see file KinFmt54.txt on our Web site.

@.kinemage 2   <Note: don't put a dot in a real keyword!>
@caption 
Alternate conformations found for Met 52 of file 5PTI (Wlodawer et al., 1984).  Conf. A in gold and conf. B in orange.  The two can be compared either by switching between them with "ANIMATE", or by turning both on at the same time.  The change is primarily in the Chi2 angle.  N and O atoms have color-coded small 3-D crosses, and S atoms have a ball.  See the text window for a listing of the kinemage file which produces this image and for an explanation of the file format.

@viewid {side}
@zoom 1.14
@zslab 160
@center 23.249 17.153 -5.538
@matrix 
-.427847 -.896668 -.113723 .589963 -.181724 -.786715 .684757 -.403687 .60675
@2viewid {down cb-cg}
@2zoom 1.14
@2zslab 360
@2center 23.541 17.007 -5.538
@2matrix
-.358812 -.788558 -.499429 .415252 .344339 -.842019 .835955 -.509516 .203896

@group {51-53 mc} 
@labellist off {label}
{  Met 52} 23.975, 16.86, -5.592
@wordlist off {title}
{title} <Alternate 
conformations 
of Met 52> 22.63, 17.94, -4.74
@subgroup dominant {main ch}
@balllist {n} color= sky radius= .1 <marked with balls>
{n met 52} 24.405, 16.565, -4.212
{n arg 53} 25.206, 18.931, -5.556
@balllist {o} color= red radius= .1
{o met 52} 25.254, 17.714, -7.432
{o cys 51} 26.397, 15.689, -4.871
@vectorlist {main ch} color= gray 
{ca cys 51} P 25.822, 15.753, -2.493 {c cys 51} L  25.591, 15.998, -3.994  
{o cys 51} L 26.397, 15.689, -4.871
{c cys 51} P 25.591, 15.998, -3.994 {n met 52} L  24.405, 16.565, -4.212 
{ca met 52} L 23.975, 16.86, -5.592
{c met 52} L 24.865, 17.909, -6.259
{o met 52} L 25.254, 17.714, -7.432
{c met 52} P 24.865, 17.909, -6.259 {n arg 53} L 25.206, 18.931, -5.556 
{ca arg 53} L 26.111, 19.97, -6.044 

@group dominant {conf A} animate
@spherelist {S} color= yellow master= {S atoms} radius= .2
{sd a met 52}  21.684, 14.673, -6.752
@vectorlist {sc a} color= gold master= {side ch}
{ca met 52} P 23.975, 16.860, -5.592 {cb met 52} L 22.481, 17.237, -5.692 
{cg a met 52} L 21.619, 16.002, -5.527
{sd a met 52} L 21.684, 14.673, -6.752
{ce a met 52} L 20.896, 15.481, -8.152

@group dominant {conf B} animate
@spherelist {S} color= yellow master= {S atoms} radius= .2
{sd b met 52}  19.845 ,16.563, -5.694
@vectorlist {sc b} color= orange master= {side ch}
{ca met 52} P  23.975, 16.860, -5.592 {cb met 52} L 22.481, 17.237, -5.692
{cg b met 52} L 21.536, 16.149, -5.278
{sd b met 52} L 19.845 ,16.563, -5.694
{ce b met 52} L 19.639, 18.241, -5.038


    *{KINEMAGE 3}* -  Zn finger by NMR:  An example for on-screen graphics editing

    Kinemage 3 is a tutorial in using the on-screen graphics editing capabilities of Mage, from an author's point of view.  It shows a set of 3 superimposed NMR models for a Zn finger domain, starting approximately as the kinemage would come from an initial Prekin run.
    First, try out "Thin Line" and "One Width" on the "Display" pulldown menu, in contrast to the original "Multi-Width"; it's not critical in this case, but for large superimposed structures thinline is needed.  Then turn the structure around to an orientation that satisfies you, changing scale or recentering if needed. E.g., turn on the "Pickcenter" button and click on the end of Cys 3; then turn it off again.  Try making the Zslab smaller than the default 200 to get more depth-cuing (but back off if you lose part of the structure).  When you have found a good view, save it as the new View1 by choosing "Keep Current View" on the "Edit" pulldown.  Give your view a short name as a viewID.  Now pull down the "View" menu, which should have your view(s) on it, labeled with the viewID you specified.
    The text and caption windows can be edited while you are in Mage, by setting "Text Editable" (Edit menu).  Try, for instance, putting the * and { symbols for a hypertext jump around the words "Kinemage 3" on the first line, arranged as they are in the subhead above.  Clicking there won't do anything while you are editing, but turn off "Text Editable" and then click between those bracketing symbols to test the link you made.
    Suppose you decided that this kinemage should show only the central, well-determined part of the structure and not the mobile ends.  Choose "Prune" on the "Edit" pulldown, which will add 3 new buttons:  prune, punch, and undo p.  "Punch" will delete the vectors on either side of a point you pick with the mouse, "prune" will delete an entire P,L,L sequence of vectors, and "undo p" is an undo for either punch or prune (back for about 10 steps).  Try it out, to delete the fuzzy ends.  When you are done, turn off the punch or prune button.
    To change the Zn ligand sidechains to more interesting colors than cyan, turn on "Change Color" (Edit menu) and pick an atom in one of those sidechains.  This will bring up a scrolling list that can be pulled down to show the entire set of possible colors.  Pick one (maybe yellow, for the cysteines, or hotpink if you are feeling venturesome), and judge the effect in the image;  if you like it, then Accept.  Do the same for the 2 other models.
    The appearance and layout of the button panel can be edited with "PickShowDetail", on the Edit menu.  Turn it on.  With only the first NMR model turned on, pick one of its atoms.  The resulting dialog box shows the internal structure of the display object as it is stored in Mage, so you can see and alter the point, list, subgroup, and group properties of the point you picked.  Edit the group name from "molecule" to, say, "*ZnF model1" (the * sets it up to be animated).  Under that group, check the "dominant" box so that no buttons will appear under the group.  Accept the change, and do the same for the other 2 models.  Note the changes to the button panel.  Now pick the wordlist (lower left of first letter), and delete its group (which will make it disappear irreversibly!).  Then try out the animation, and decide whether to leave it that way or go back to ordinary button control (note that animate groups can also all be turned on at once).
    If you like, you can draw in the Zn-ligand bonds.  Choose "Draw New Setup" (Edit menu), make the "shorten line" value 0.5, and make the new ends unpickable (since they are not atoms).  Then turn on "Draw New", which produces a whole set of new tools on the button panel.  With the "drawline" button checked and only one model turned on, click on the Zn and a ligand atom to draw a shortened bond.
    Once you have made all the changes you want to the kinemage, choose "Save as" on the "File" pulldown menu, to write out the entire modified file, containing the new kinemage with all your changes (Mage will return you to the same kinemage, in the new file).  Even with the convenience of on-screen editing, you will still need a word-processor for some changes:  moving things from one list to another, and setting up features like animations or master buttons (for instance, in this example you might want a {Zn ligands} master).

		*{KINEMAGE 4}* - Ribbon schematic for BPTI

    [Kinemages 4 -6 are examples that illustrate a variety of presentation techniques that can be useful to an author working in the kinemage medium, either for teaching, for publication, or for doing research.  In each case, try out the kinemage, read the text explanation of what was done and why, and use a word processor to look at the display list for that kinemage to see how it was set up to produce these effects.  The same approach can also be used on the examples in Demo5_4a, or on any other kinemage file.]
    This schematic version of the Calpha backbone of pancreatic trypsin inhibitor was made by the "ribbon" options in the Prekin "New Ranges" dialog box, giving beta and helix ranges assigned by looking at a backbone-browser kinemage (similar to the ones in the PDB file header, but with longer strands), and using the defaults otherwise (for segments per residue, etc.)  The result gives seagreen arrows for beta strands, gold spiral ribbons for helix, and a widened single spline for loops.  Disulfides were specified by a range with sidechain (sc) and non-C balls (at), and the 3-letter amino-acid type set to "css".  Then in Mage, the ribbon-segment midpoint nearest to the Calpha of each Cys was identified, and the ca-cb vector drawn from that point instead of the actual Calpha (at high zoom, using drawline and measures).  
    The smoothness of ribbons greatly aids perception of large-scale structural relationships, but they can easily produce very large numbers of vectors and prevent smooth rotation.  Therefore, it is suggested that ribbons only be tried for small to medium structures.  [If the graphics update rate is too slow, Mage will change to a vector representation of the ribbon while it is being moved.]

      *{KINEMAGE 5}* Small-Probe Contact Dots to Choose Asn/Gln Flips

    Kinemage 5 shows the use of contact dots to illustrate detailed molecular contacts in the structure of ribonuclease F1.  In this case, they show correct vs incorrect sidechain amide orientations for Asn/Gln residues.  [H atoms added and optimized by Reduce and dots calculated by Probe, as explained in Word et al. 1999, J.Mol.Biol. 285: 1735.]  Contact dots occur on both van der Waals surfaces when two atoms are 0.5A or less apart, and are color-coded by how small the gap is, with H-bonds in greentint and unfavorable overlaps as spikes in shades of orange and red.  [To help understand which dots come from which atom, you can press the 'l' (el) key to toggle between gap coloring and atom-type coloring: O red, N blue, and C white, with H matching their bonded atoms.  In the kinemage file, the atom colors are assigned by list and the gap colors separately for each dot.]
    View1 is a closeup of Asn 10, which H-bonds to a Thr Og on the neighboring beta strand, with good van der Waals contacts as well as the Hbond.  Animate to flip the Asn amide by 180 degrees, to see why it must be assigned in the original (green) orientation, since the NH2 group would have bad clashes and no H-bond in the other (pink) orientation.
    Views 2-4 show Asn/Gln sidechains on an alpha-helix.  Gln 15 is a "cap box" Gln which helps specify the N-terminus by H-bonding to the backbone NH of the helix N-cap residue;  it also has numerous favorable contacts with its surroundings, but is disastrous if flipped.  Asn 21 and Gln 25, in successive helical turns, make one H-bond whose geometry is better with both sidechains in the original orientation than with both flipped (flipping just one would be very bad).  Asn 29 just precedes the helix C-terminus and makes an Hd1 to carbonyl O H-bond with residue n-4 (the magenta spike means that the H-bond is just slightly too short).
    In View5, Asn 44 reinforces a tight turn by making a double H-bond with the backbone of Phe 48.  Rotate it around to appreciate the shell of good contacts around Od1, including a water H-bond.  Animate to see that the flipped state would be sterically as well as electrostatically impossible.  For a simpler contrast, try turning off the "contacts" button temporarily and animate again.
    In View6, Gln 57 lies nicely on a neighboring peptide and against the edge of a Pro ring, while the flipped state has approximately equivalent water H-bonds and peptide contacts, but clashes with the Pro.  This illustrates that amide orientation can often be unambiguously determined by H atom contacts even when H-bonding is either equivalent or absent.
    Asn 81 (View7) makes a "pseudo-turn" where Od1 H-bonds to NH(n+2), plus 3 other sidechain H-bonds and good van der Waals contacts (everything is very slightly too tight, but not enough to worry about).  The flipped orientation is blatantly wrong, with impossible clashes and no H-bonds; try turning off "contacts" temporarily for a simpler contrast.
    Asn 83 (View8) is one of the cases (about 15% of Asn/Gln) that is so exposed it has almost no interactions.  The score would be very slightly better in the pink orientation, but not enough that we would feel justified in flipping it.  Indeed, in the molecule this sidechain probably samples both conformations.  [Note that the dots at lower left come from Asn 81 and are not relevant to the 83 sidechain.]
    Choosing the correct orientation for Asn 107 (View9) depends on the geometry of amide-water H-bonds.  Turn off "contacts" and rotate to see how the O and the NH2 interact non-equivalently with 2 of the 3 waters.
    View10 is an overview, to see how this kinemage was pruned down to include only the parts needed for the set of closeup views.  Also, the "contact" dots and the H atoms are given a "lens" parameter, which means they will only be shown within a specified radius (default=7.0) of the current center.  [To see what was supressed by the lens, toggle the 'e' key.]  This improves rotation and comprehensibility of overviews while allowing more detail in closeups.

     *{KINEMAGE 6}* - Phi vs Psi vs Chi1 plot for phenylalanine

    Kinemage 6 is a 3-dimensional plot rather than a piece of protein structure.  For many types of 3-D plot the 'perspective' option is helpful.  However, it was not used in this case because it would produce distorted and incorrect 2-D projections for cases like the 2-D phi-psi plot seen in View1.
    For 1587 phenylalanine residues with B-factor < 40 in 240 high-resolution structures , the Phi, Psi, and Chi1 angles are plotted.  [The angles were calculated in Dang and the examples selected with Unix Awk scripts.]  The startup view is down the Chi1 axis (pinktint), so it looks like a conventional Phi, Psi plot.  There is a rather tight cluster of points in alpha-helical conformation in the lower left quadrant, a more open group in beta conformation in the upper left, and a  very small number on the upper right (with phi +) that are in lefthanded alpha conformation.
    Choose View2, or else drag down with the mouse and rotate to look down the Psi axis (yellowtint).  The Chi1 values cluster around the three staggered conformations tickmarked on the Chi1 axis: +/-180 (skyblue), -60 (seagreen), or +60 degrees (pink).  {Note: Points near +180 have had 360 subtracted to make a single grouping near -180.}  From this side you can see that almost all of the lefthanded alpha residues have a Chi1 value near -60 degrees, which puts the sidechain trans to the backbone CO.  Try clicking on a point to identify its protein and its residue name and number.  (To make this possible, the author used protein and residue as the string in the pointID.)  Turn on the "XYZ point" option on the Kludges submenu to display the phi,psi,chi1 values of each point picked.  (This feature comes automatically, as a result of the fact that Phi, Psi, and Chi1 are the 3-D coordinates of the points.)
    Choose View3 to look down the Phi axis (bluetint).  The preferred Psi values are rather different for each of the groups of Chi1 values: for Chi1 = +/-180, alpha-helix is strongly preferred (and those in beta have relatively low Psi values), while most of the points with Chi1 = +60 are in beta conformation (and with quite high Psi values within the beta range).  Chi1 = -60 includes all of the conformation types, but it has many more points in the "bridge" region between alpha and beta than either of the other Chi1 clusters, and its helical points cluster around chi1 = -75 rather than -60.
    Choose View1 again, and then turn on each of the chi1 sets separately, to compare their Phi,Psi distributions.  Turn off the "axes" group, and use the "count" option (under "Other") to see how many points are in each chi1 set.  Chi1 -60, which includes over half the total cases, has a normal-looking phi,psi distribution, but the other two groups do not.  
    It would have been possible to show most of these features with a set of three 2-D drawings, but not the shape and extent of clustering of the points in 3-D, their individual identities, or the operations in the last paragraph.


    Copyright 1999 Jane S. and David C. Richardson.  Permission freely granted for educational, research, and personal use.  For program updates and more information (including the list of 240 proteins for Kin. 6 and the programs Reduce, Probe, and Dang), see http://kinemage.biochem.duke.edu.

@kinemage 1
@caption
Palette test, showing the present 20 colors.  The set of 12 colors that span the hues around a spectral color-wheel are laid out at left.  Gray is the most neutral to use along with a color scale (as, for instance, in the palette).  Colors must be called by name in the kinemage files.  Rotate to see the five levels of color depth-cuing.  Choose the "white backgrd" option to see how the colornames are differently defined there: depth cuing is then by saturation rather than intensity; both "white" and the default become black; and pinktint, bluetint, etc. become dark rather than pale colors.
@perspective
@group {colors}
@vector {hotpink} color=hotpink
{hotp1} P -7. 10. 10. {hotp2} 4. 10. 10
{hotp1} P -7. 10. 5. {hotp2} 4. 10. 5.
{hotp1} P -7. 10. 0. {hotp2} 4. 10. 0.
{hotp1} P -7. 10. -5. {hotp2} 4. 10. -5.
{hotp1} P -7. 10. -10. {hotp2} 4. 10. -10.
@vector {magenta} color= magenta
{m1} P -7. 8. 10. {m2} 4. 8. 10.
{m1} P -7. 8. 5. {m2} 4. 8. 5.
{m1} P -7. 8. 0. {m2} 4. 8. 0.
{m1} P -7. 8. -5. {m2} 4. 8. -5.
{m1} P -7. 8. -10. {m2} 4. 8. -10.
@vector {purple} color=purple
{pur1} P -7. 6. 10. {pur2} 4. 6. 10.
{pur1} P -7. 6. 5. {pur2} 4. 6. 5.
{pur1} P -7. 6. 0. {pur2} 4. 6. 0.
{pur1} P -7. 6. -5. {pur2} 4. 6. -5.
{pur1} P -7. 6. -10. {pur2} 4. 6. -10.
@vector {blue} color=blue
{b1} P -7. 4. 10. {b2} 4. 4. 10. 
{b1} P -7. 4. 5. {b2} 4. 4. 5. 
{b1} P -7. 4. 0. {b2} 4. 4. 0. 
{b1} P -7. 4. -5. {b2} 4. 4. -5. 
{b1} P -7. 4. -10. {b2} 4. 4. -10. 
 @vector {sky} color=sky
{sky1} P -7. 2. 10. {sky2} 4. 2. 10. 
{sky1} P -7. 2. 5. {sky2} 4. 2. 5. 
{sky1} P -7. 2. 0. {sky2} 4. 2. 0. 
{sky1} P -7. 2. -5. {sky2} 4. 2. -5. 
{sky1} P -7. 2. -10. {sky2} 4. 2. -10. 
@vector {cyan} color=cyan
{c1} P -7. .0 10. {c2} 4.  .0 10. 
{c1} P -7. .0 5. {c2} 4.  .0 5. 
{c1} P -7. .0 0. {c2} 4.  .0 0. 
{c1} P -7. .0 -5. {c2} 4.  .0 -5. 
{c1} P -7. .0 -10. {c2} 4.  .0 -10. 
@vector {sea} color=sea
{sea1} P -7. -2. 10. {sea2} 4. -2. 10. 
{sea1} P -7. -2. 5. {sea2} 4. -2. 5. 
{sea1} P -7. -2. 0. {sea2} 4. -2. 0. 
{sea1} P -7. -2. -5. {sea2} 4. -2. -5. 
{sea1} P -7. -2. -10. {sea2} 4. -2. -10. 
@vector {green} color=green
{g1} P -7. -4. 10. {g2} 4. -4. 10.
{g1} P -7. -4. 5. {g2} 4. -4. 5.
{g1} P -7. -4. 0. {g2} 4. -4. 0.
{g1} P -7. -4. -5. {g2} 4. -4. -5.
{g1} P -7. -4. -10. {g2} 4. -4. -10.
@vector {yellow} color=yellow
{y1} P -7. -6. 10. {y2} 4. -6. 10. 
{y1} P -7. -6. 5. {y2} 4. -6. 5. 
{y1} P -7. -6. 0. {y2} 4. -6. 0. 
{y1} P -7. -6. -5. {y2} 4. -6. -5. 
{y1} P -7. -6. -10. {y2} 4. -6. -10. 
@vector {gold} color=gold
{gold1} P -7. -8. 10. {gold2} 4. -8. 10.
{gold1} P -7. -8. 5. {gold2} 4. -8. 5.
{gold1} P -7. -8. 0. {gold2} 4. -8. 0.
{gold1} P -7. -8. -5. {gold2} 4. -8. -5.
{gold1} P -7. -8. -10. {gold2} 4. -8. -10.
@vector {orange} color=orange
{or1} P -7. -10. 10. {or2} 4. -10. 10.
{or1} P -7. -10. 5. {or2} 4. -10. 5.
{or1} P -7. -10. 0. {or2} 4. -10. 0.
{or1} P -7. -10. -5. {or2} 4. -10. -5.
{or1} P -7. -10. -10. {or2} 4. -10. -10.
@vector {red} color=red 
{r1} P -7. -12. 10. {r2} 4. -12. 10. 
{r1} P -7. -12. 5. {r2} 4. -12. 5. 
{r1} P -7. -12. 0. {r2} 4. -12. 0. 
{r1} P -7. -12. -5. {r2} 4. -12. -5. 
{r1} P -7. -12. -10. {r2} 4. -12. -10. 
@vector {pink} color=pink
{pk1} P 8. 10. 10. {pk2}16. 10. 10.
{pk1} P 8. 10. 5. {pk2}16. 10. 5.
{pk1} P 8. 10. 0. {pk2}16. 10. 0.
{pk1} P 8. 10. -5. {pk2}16. 10. -5.
{pk1} P 8. 10. -10. {pk2}16. 10. -10.
@vector {pinktint} color=pinktint
{pkt1} P 8. 8. 10. {pkt2} 16. 8. 10.
{pkt1} P 8. 8. 5. {pkt2} 16. 8. 5.
{pkt1} P 8. 8. 0. {pkt2} 16. 8. 0.
{pkt1} P 8. 8. -5. {pkt2} 16. 8. -5.
{pkt1} P 8. 8. -10. {pkt2} 16. 8. -10.
@vector {white}
{w3} P 8. 6. 10. {w4} 16. 6. 10.
{w3} P 8. 6. 5. {w4} 16. 6. 5.
{w3} P 8. 6. 0. {w4} 16. 6. 0.
{w3} P 8. 6. -5. {w4} 16. 6. -5.
{w3} P 8. 6. -10. {w4} 16. 6. -10.
@vector {black}
{w3} P 8. 4. 10. {w4} 16. 4. 10.
{w3} P 8. 4. 5. {w4} 16. 4. 5.
{w3} P 8. 4. 0. {w4} 16. 4. 0.
{w3} P 8. 4. -5. {w4} 16. 4. -5.
{w3} P 8. 4. -10. {w4} 16. 4. -10.
@vector {default}
{w3} P 8. 2. 10. {w4} 16. 2. 10.
{w3} P 8. 2. 5. {w4} 16. 2. 5.
{w3} P 8. 2. 0. {w4} 16. 2. 0.
{w3} P 8. 2. -5. {w4} 16. 2. -5.
{w3} P 8. 2. -10. {w4} 16. 2. -10.
@vector {bluetint} color=bluetint
{bt1} P 8. -2. 10. {bt2} 16. -2. 10.
{bt1} P 8. -2. 5. {bt2} 16. -2. 5.
{bt1} P 8. -2. 0. {bt2} 16. -2. 0.
{bt1} P 8. -2. -5. {bt2} 16. -2. -5.
{bt1} P 8. -2. -10. {bt2} 16. -2. -10.
@vector {greentint} color=greentint
{gt1} P 8. -4. 10. {gt2} 16. -4. 10.
{gt1} P 8. -4. 5. {gt2} 16. -4. 5.
{gt1} P 8. -4. 0. {gt2} 16. -4. 0.
{gt1} P 8. -4. -5. {gt2} 16. -4. -5.
{gt1} P 8. -4. -10. {gt2} 16. -4. -10.
@vector {yellowtint} color=yellowtint
{yt3} P 8. -6. 10. {yt4} 16. -6. 10.
{yt3} P 8. -6. 5. {yt4} 16. -6. 5.
{yt3} P 8. -6. 0. {yt4} 16. -6. 0.
{yt3} P 8. -6. -5. {yt4} 16. -6. -5.
{yt3} P 8. -6. -10. {yt4} 16. -6. -10.
@vector {gray} color=gray
{gra1} P 8. -10. 10. {gra2} 16. -10. 10.
{gra1} P 8. -10. 5. {gra2} 16. -10. 5.
{gra1} P 8. -10. 0. {gra2} 16. -10. 0.
{gra1} P 8. -10. -5. {gra2} 16. -10. -5.
{gra1} P 8. -10. -10. {gra2} 16. -10. -10.
@vector {brown} color=brown
{br1} P 8. -12. 10. {br2} 16. -12. 10.
{br1} P 8. -12. 5. {br2} 16. -12. 5.
{br1} P 8. -12. 0. {br2} 16. -12. 0.
{br1} P 8. -12. -5. {br2} 16. -12. -5.
{br1} P 8. -12. -10. {br2} 16. -12. -10.
@group dominant {labels}
@labellist {colorlabl} color=gray
{hotpink} -8. 10. 10.
{magenta} -8. 8. 10.
{purple} -8. 6. 10.
{blue} -8. 4. 10.
{sky} -8. 2. 10.
{cyan} -8. .0 10.
{sea} -8. -2. 10.
{green} -8. -4. 10.
{yellow} -8. -6. 10.
{gold} -8. -8. 10.
{orange} -8. -10. 10.
{red} -8. -12. 10.
{pink} 7. 10. 10.
{pinktint} 7. 8. 10.
{white} 7. 6. 10.
{black} 7. 4. 10.
{default} 7. 2. 10.
{bluetint} 7. -2. 10.
{greentint} 7. -4. 10.
{yellowtint} 7. -6. 10.
{gray} 7. -10. 10.
{brown} 7. -12. 10.

@kinemage 2
@caption 
Alternate conformations found for Met 52 of file 5PTI (Wlodawer et al., 1984). Conf. A in gold and conf. B in orange. The two can be compared either by switching between them with "ANIMATE", or by turning both on at the same time. The change is primarily in the Chi2 angle. N and O atoms are color-coded balls, and S atoms are spheres. See the text window for a listing of the kinemage file which produces this image and for an explanation of the file format.

@viewid {side}
@zoom 1.14
@zslab 240
@center 23.36 17.5 -6.12
@matrix 
-.427847 -.896668 -.113723 .589963 -.181724 -.786715 .684757 -.403687 .60675
@2viewid {down cb-cg}
@2zoom 1.14
@2zslab 360
@2center 23.541 17.007 -5.538
@2matrix
-.358812 -.788558 -.499429 .415252 .344339 -.842019 .835955 -.509516 .203896

@group {51-53 mc} 
@labellist off {label}
{ Met 52} 23.975, 16.86, -5.592
@wordlist off {title}
{title} <Alternate 
conformations 
of Met 52> 22.63, 17.94, -4.74
@subgroup dominant {main ch}
@balllist {n} color= sky radius= .1 <marked with balls>
{n met 52} 24.405, 16.565, -4.212
{n arg  53} 25.206, 18.931, -5.556
@balllist {o} color= red radius= .1
{o met 52} 25.254, 17.714, -7.432
{o cys  51} 26.397, 15.689, -4.871
@vectorlist {main ch} color= gray 
{ca cys 51} P 25.822, 15.753, -2.493 {c cys 51} L 25.591, 15.998, -3.994 
{o cys 51} L 26.397, 15.689, -4.871
{c cys 51} P 25.591, 15.998, -3.994 {n met 52} L 24.405, 16.565, -4.212 
{ca met 52} L 23.975, 16.86, -5.592
{c met 52} L 24.865, 17.909, -6.259
{o met 52} L 25.254, 17.714, -7.432
{c met 52} P 24.865, 17.909, -6.259 {n arg 53} L 25.206, 18.931, -5.556 
{ca arg 53} L 26.111, 19.97, -6.044 

@group dominant {conf A} animate
@spherelist {S} color= yellow master= {S atoms} radius= .2
{sd a met 52} 21.684, 14.673, -6.752
@vectorlist {sc a} color= gold master= {side ch}
{ca met 52} P 23.975, 16.860, -5.592 {cb met 52} L 22.481, 17.237, -5.692 
{cg a met 52} L 21.619, 16.002, -5.527
{sd a met 52} L 21.684, 14.673, -6.752
{ce a met 52} L 20.896, 15.481, -8.152

@group dominant {conf B} animate
@spherelist {S} color= yellow master= {S atoms} radius= .2
{sd b met 52} 19.845 ,16.563, -5.694
@vectorlist {sc b} color= orange master= {side ch}
{ca met 52} P 23.975, 16.860, -5.592 {cb met 52} L 22.481, 17.237, -5.692
{cg b met 52} L 21.536, 16.149, -5.278
{sd b met 52} L 19.845 ,16.563, -5.694
{ce b met 52} L 19.639, 18.241, -5.038

@kinemage 3
@caption 
A CCHC Zn finger from the nucleocapsid of HIV: 3 NMR models superimposed (from PDB file 1AAF). At present the main chains are in white, the Zn in pink, and all ligand sidechains in cyan. See the text for instructions in editing this kinemage interactively inside Mage, mainly using the functions on the "Edit" pulldown menu.
@group {molecule}
@vectorlist {main ch} color=white
{n val 1 m1} P -1.565 -6.893 4.397
{ca val 1 m1} -1.459 -5.525 4.896
{c val 1 m1} -0.301 -4.803 4.255
{o val 1 m1} 0.518 -5.355 3.667
{c val 1 m1} P -0.301 -4.803 4.255
{n lys 2 m1} -0.296 -3.523 4.416
{ca lys 2 m1} 0.837 -2.612 4.205
{c lys 2 m1} 1.206 -2.518 2.756
{o lys 2 m1} 1.218 -3.437 2.057
{c lys 2 m1} P 1.206 -2.518 2.756
{n cys 3 m1} 1.484 -1.33 2.332
{ca cys 3 m1} 1.562 -0.901 0.925
{c cys 3 m1} 2.857 -1.337 0.311
{o cys 3 m1} 3.842 -0.767 0.495
{c cys 3 m1} P 2.857 -1.337 0.311
{n phe 4 m1} 2.81 -2.39 -0.416
{ca phe 4 m1} 3.883 -3.074 -1.122
{c phe 4 m1} 4.951 -2.169 -1.645
{o phe 4 m1} 6.08 -2.433 -1.564
{c phe 4 m1} P 4.951 -2.169 -1.645
{n asn 5 m1} 4.548 -1.084 -2.199
{ca asn 5 m1} 5.384 -0.025 -2.792
{c asn 5 m1} 5.942 0.849 -1.728
{o asn 5 m1} 7.078 0.921 -1.493
{c asn 5 m1} P 5.942 0.849 -1.728
{n cys 6 m1} 5.084 1.594 -1.068
{ca cys 6 m1} 5.361 2.893 -0.461
{c cys 6 m1} 5.578 2.875 1.009
{o cys 6 m1} 5.882 3.849 1.565
{c cys 6 m1} P 5.578 2.875 1.009
{n gly 7 m1} 5.422 1.761 1.633
{ca gly 7 m1} 5.731 1.483 3.038
{c gly 7 m1} 4.56 1.717 3.949
{o gly 7 m1} 4.409 1.135 4.938
{c gly 7 m1} P 4.56 1.717 3.949
{n lys 8 m1} 3.735 2.651 3.577
{ca lys 8 m1} 2.842 3.412 4.467
{c lys 8 m1} 1.61 2.635 4.81
{o lys 8 m1} 0.887 2.249 3.998
{c lys 8 m1} P 1.61 2.635 4.81
{n glu 9 m1} 1.405 2.428 6.074
{ca glu 9 m1} 0.345 1.599 6.66
{c glu 9 m1} -1.006 2.218 6.426
{o glu 9 m1} -1.322 3.189 6.962
{c glu 9 m1} P -1.006 2.218 6.426
{n gly 10 m1} -1.775 1.597 5.595
{ca gly 10 m1} -3.072 2.056 5.107
{c gly 10 m1} -3.663 1.123 4.088
{o gly 10 m1} -4.652 0.547 4.26
{c gly 10 m1} P -3.663 1.123 4.088
{n his 11 m1} -3.02 1.042 2.967
{ca his 11 m1} -3.621 0.773 1.646
{c his 11 m1} -2.73 -0.086 0.806
{o his 11 m1} -1.601 -0.184 1.023
{c his 11 m1} P -2.73 -0.086 0.806
{n ile 12 m1} -3.297 -0.718 -0.183
{ca ile 12 m1} -2.643 -1.547 -1.175
{c ile 12 m1} -1.995 -0.709 -2.262
{o ile 12 m1} -2.284 0.378 -2.472
{c ile 12 m1} P -1.995 -0.709 -2.262
{n ala 13 m1} -1.062 -1.315 -2.918
{ca ala 13 m1} -0.039 -0.725 -3.773
{c ala 13 m1} -0.675 -0.142 -5.037
{o ala 13 m1} -0.279 0.81 -5.524
{c ala 13 m1} P -0.675 -0.142 -5.037
{n arg 14 m1} -1.537 -0.935 -5.579
{ca arg 14 m1} -1.743 -1.049 -7.052
{c arg 14 m1} -2.292 0.236 -7.579
{o arg 14 m1} -2.091 0.607 -8.651
{c arg 14 m1} P -2.292 0.236 -7.579
{n asn 15 m1} -3.013 0.913 -6.741
{ca asn 15 m1} -3.599 2.246 -6.956
{c asn 15 m1} -3.489 3.129 -5.74
{o asn 15 m1} -4.188 4.031 -5.543
{c asn 15 m1} P -3.489 3.129 -5.74
{n cys 16 m1} -2.49 2.886 -4.963
{ca cys 16 m1} -1.823 3.801 -4.027
{c cys 16 m1} -1.865 5.216 -4.525
{o cys 16 m1} -1.857 5.471 -5.65
{c cys 16 m1} P -1.865 5.216 -4.525
{n arg 17 m1} -1.908 6.129 -3.609
{ca arg 17 m1} -1.703 7.57 -3.808
{c arg 17 m1} -0.266 7.938 -3.534
{o arg 17 m1} 0.104 8.203 -2.479
{c arg 17 m1} P -0.266 7.938 -3.534
{n ala 18 m1} 0.51 7.931 -4.566
{ca ala 18 m1} 1.965 8.108 -4.567
{c ala 18 m1} 2.447 8.46 -5.967
{o ala 18 m1} 2.732 9.628 -6.26
@subgroup dominant {Zn, ligs}
@vectorlist {sc} color=cyan
{ca cys 3}P 1.562 -0.901 0.925
{cb cys 3}1.363 0.617 0.832
{sg cys 3}1.211 1.244 -0.857
{ca cys 6}P 5.361 2.893 -0.461
{cb cys 6}4.389 3.982 -0.926
{sg cys 6}2.992 4.301 0.145
{ca cys 16}P -1.823 3.801 -4.027
{cb cys 16}-0.375 3.306 -3.816
{sg cys 16}0.666 4.411 -2.867
{ca his 11}P -3.621 0.773 1.646
{cb his 11}-3.921 2.117 0.903
{cg his 11}-2.689 2.96 0.797
{nd1 his 11}-2.365 4.039 1.584
{ce1 his 11}-1.066 4.287 1.461
{ne2 his 11}-0.622 3.64 0.4
{cd2 his 11}-1.626 2.816 -0.049
{cg his 11}-2.689 2.96 0.797
@balllist {Zn} color= pink radius= .15
{Zn m1} 1.037 3.548 -0.768
@group {molecule}
@vector {main ch} color=white
{n val 1 m2} P -2.364 -2.534 5.713
{ca val 1 m2} -1.594 -3.61 6.338
{c val 1 m2} -0.125 -3.458 6.043
{o val 1 m2} 0.684 -3.495 6.865
{c val 1 m2} P -0.125 -3.458 6.043
{n lys 2 m2} 0.169 -3.25 4.803
{ca lys 2 m2} 1.384 -2.58 4.298
{c lys 2 m2} 1.318 -2.421 2.811
{o lys 2 m2} 1.106 -3.316 2.111
{c lys 2 m2} P 1.318 -2.421 2.811
{n cys 3 m2} 1.489 -1.225 2.366
{ca cys 3 m2} 1.529 -0.811 0.952
{c cys 3 m2} 2.806 -1.259 0.309
{o cys 3 m2} 3.789 -0.668 0.423
{c cys 3 m2} P 2.806 -1.259 0.309
{n phe 4 m2} 2.75 -2.348 -0.362
{ca phe 4 m2} 3.816 -3.087 -1.02
{c phe 4 m2} 4.903 -2.238 -1.594
{o phe 4 m2} 6.017 -2.569 -1.575
{c phe 4 m2} P 4.903 -2.238 -1.594
{n asn 5 m2} 4.538 -1.124 -2.113
{ca asn 5 m2} 5.406 -0.086 -2.697
{c asn 5 m2} 5.936 0.814 -1.641
{o asn 5 m2} 7.062 0.866 -1.356
{c asn 5 m2} P 5.936 0.814 -1.641
{n cys 6 m2} 5.068 1.604 -1.052
{ca cys 6 m2} 5.354 2.91 -0.465
{c cys 6 m2} 5.59 2.901 1.003
{o cys 6 m2} 5.921 3.873 1.549
{c cys 6 m2} P 5.59 2.901 1.003
{n gly 7 m2} 5.422 1.794 1.635
{ca gly 7 m2} 5.743 1.519 3.038
{c gly 7 m2} 4.579 1.765 3.954
{o gly 7 m2} 4.425 1.179 4.94
{c gly 7 m2} P 4.579 1.765 3.954
{n lys 8 m2} 3.766 2.71 3.587
{ca lys 8 m2} 2.896 3.487 4.488
{c lys 8 m2} 1.651 2.723 4.834
{o lys 8 m2} 0.873 2.469 4.019
{c lys 8 m2} P 1.651 2.723 4.834
{n glu 9 m2} 1.528 2.372 6.079
{ca glu 9 m2} 0.408 1.594 6.619
{c glu 9 m2} -0.898 2.217 6.166
{o glu 9 m2} -1.145 3.318 6.391
{c glu 9 m2} P -0.898 2.217 6.166
{n gly 10 m2} -1.692 1.434 5.519
{ca gly 10 m2} -3.113 1.674 5.265
{c gly 10 m2} -3.635 0.845 4.128
{o gly 10 m2} -4.544 0.137 4.233
{c gly 10 m2} P -3.635 0.845 4.128
{n his 11 m2} -3.027 1.008 2.998
{ca his 11 m2} -3.626 0.826 1.663
{c his 11 m2} -2.738 -0.006 0.789
{o his 11 m2} -1.604 -0.083 0.977
{c his 11 m2} P -2.738 -0.006 0.789
{n ile 12 m2} -3.327 -0.633 -0.192
{ca ile 12 m2} -2.686 -1.477 -1.176
{c ile 12 m2} -2.038 -0.652 -2.276
{o ile 12 m2} -2.339 0.424 -2.514
{c ile 12 m2} P -2.038 -0.652 -2.276
{n ala 13 m2} -1.091 -1.263 -2.904
{ca ala 13 m2} -0.066 -0.684 -3.766
{c ala 13 m2} -0.698 -0.148 -5.051
{o ala 13 m2} -0.261 0.741 -5.614
{c ala 13 m2} P -0.698 -0.148 -5.051
{n arg 14 m2} -1.627 -0.916 -5.517
{ca arg 14 m2} -1.859 -1.144 -6.974
{c arg 14 m2} -2.35 0.116 -7.605
{o arg 14 m2} -2.16 0.375 -8.712
{c arg 14 m2} P -2.35 0.116 -7.605
{n asn 15 m2} -3.008 0.913 -6.818
{ca asn 15 m2} -3.456 2.276 -7.121
{c asn 15 m2} -3.377 3.181 -5.925
{o asn 15 m2} -4.111 4.061 -5.757
{c asn 15 m2} P -3.377 3.181 -5.925
{n cys 16 m2} -2.428 2.932 -5.093
{ca cys 16 m2} -1.856 3.821 -4.077
{c cys 16 m2} -1.936 5.263 -4.48
{o cys 16 m2} -2.391 6.068 -3.788
{c cys 16 m2} P -1.936 5.263 -4.48
{n arg 17 m2} -1.465 5.544 -5.648
{ca arg 17 m2} -1.287 6.884 -6.223
{c arg 17 m2} -0.166 7.614 -5.534
{o arg 17 m2} -0.361 8.403 -4.719
{c arg 17 m2} P -0.166 7.614 -5.534
{n ala 18 m2} 1.023 7.291 -5.919
{ca ala 18 m2} 2.286 7.707 -5.301
{c ala 18 m2} 3.362 7.868 -6.364
{o ala 18 m2} 3.398 7.113 -7.345
@subgroup dominant {Zn, ligs}
@vectorlist {sc} color=cyan
{ca cys 3}P 1.529 -0.811 0.952
{cb cys 3}1.326 0.702 0.843
{sg cys 3}1.172 1.307 -0.86
{ca cys 6}P 5.354 2.91 -0.465
{cb cys 6}4.381 4. -0.918
{sg cys 6}2.998 4.323 0.177
{ca cys 16}P -1.856 3.821 -4.077
{cb cys 16}-0.401 3.382 -3.801
{sg cys 16}0.55 4.54 -2.814
{ca his 11}P -3.626 0.826 1.663
{cb his 11}-3.909 2.198 0.975
{cg his 11}-2.668 3.025 0.868
{nd1 his 11}-2.308 4.068 1.688
{ce1 his 11}-1.015 4.321 1.526
{ne2 his 11}-0.606 3.7 0.438
{cd2 his 11}-1.634 2.906 -0.015
{cg his 11}-2.668 3.025 0.868
@balllist {Zn} color= pink radius= .15
{Zn m2} 1.03 3.621 -0.763
@group {molecule}
@vector {main ch} color=white
{n val 1 m3} P -1.382 -2.747 6.182
{ca val 1 m3} -0.41 -3.721 6.669
{c val 1 m3} 0.983 -3.369 6.213
{o val 1 m3} 1.89 -3.423 6.919
{c val 1 m3} P 0.983 -3.369 6.213
{n lys 2 m3} 1.081 -2.991 4.983
{ca lys 2 m3} 2.222 -2.304 4.364
{c lys 2 m3} 2.057 -2.243 2.87
{o lys 2 m3} 2.297 -3.147 2.197
{c lys 2 m3} P 2.057 -2.243 2.87
{n cys 3 m3} 1.635 -1.119 2.4
{ca cys 3 m3} 1.53 -0.749 0.984
{c cys 3 m3} 2.788 -1.163 0.26
{o cys 3 m3} 3.729 -0.509 0.275
{c cys 3 m3} P 2.788 -1.163 0.26
{n phe 4 m3} 2.746 -2.294 -0.332
{ca phe 4 m3} 3.81 -3.035 -0.985
{c phe 4 m3} 4.878 -2.2 -1.616
{o phe 4 m3} 5.989 -2.541 -1.641
{c phe 4 m3} P 4.878 -2.2 -1.616
{n asn 5 m3} 4.499 -1.091 -2.129
{ca asn 5 m3} 5.352 -0.04 -2.714
{c asn 5 m3} 5.909 0.841 -1.658
{o asn 5 m3} 7.045 0.881 -1.398
{c asn 5 m3} P 5.909 0.841 -1.658
{n cys 6 m3} 5.065 1.628 -1.034
{ca cys 6 m3} 5.376 2.927 -0.441
{c cys 6 m3} 5.616 2.913 1.026
{o cys 6 m3} 5.97 3.878 1.569
{c cys 6 m3} P 5.616 2.913 1.026
{n gly 7 m3} 5.425 1.811 1.659
{ca gly 7 m3} 5.731 1.531 3.064
{c gly 7 m3} 4.562 1.792 3.969
{o gly 7 m3} 4.387 1.207 4.952
{c gly 7 m3} P 4.562 1.792 3.969
{n lys 8 m3} 3.769 2.749 3.593
{ca lys 8 m3} 2.886 3.528 4.48
{c lys 8 m3} 1.62 2.774 4.774
{o lys 8 m3} 0.784 2.699 3.984
{c lys 8 m3} P 1.62 2.774 4.774
{n glu 9 m3} 1.564 2.186 5.93
{ca glu 9 m3} 0.442 1.425 6.467
{c glu 9 m3} -0.884 2.061 6.106
{o glu 9 m3} -1.119 3.156 6.374
{c glu 9 m3} P -0.884 2.061 6.106
{n gly 10 m3} -1.712 1.307 5.464
{ca gly 10 m3} -3.137 1.562 5.27
{c gly 10 m3} -3.683 0.831 4.078
{o gly 10 m3} -4.602 0.131 4.139
{c gly 10 m3} P -3.683 0.831 4.078
{n his 11 m3} -3.076 1.065 2.963
{ca his 11 m3} -3.667 0.943 1.616
{c his 11 m3} -2.771 0.122 0.737
{o his 11 m3} -1.628 0.121 0.883
{c his 11 m3} P -2.771 0.122 0.737
{n ile 12 m3} -3.363 -0.587 -0.179
{ca ile 12 m3} -2.715 -1.482 -1.115
{c ile 12 m3} -2.088 -0.701 -2.261
{o ile 12 m3} -2.426 0.348 -2.562
{c ile 12 m3} P -2.088 -0.701 -2.261
{n ala 13 m3} -1.12 -1.319 -2.844
{ca ala 13 m3} -0.085 -0.742 -3.701
{c ala 13 m3} -0.715 -0.187 -4.975
{o ala 13 m3} -0.29 0.719 -5.524
{c ala 13 m3} P -0.715 -0.187 -4.975
{n arg 14 m3} -1.645 -0.946 -5.455
{ca arg 14 m3} -1.874 -1.157 -6.918
{c arg 14 m3} -2.447 0.069 -7.528
{o arg 14 m3} -2.305 0.335 -8.648
{c arg 14 m3} P -2.447 0.069 -7.528
{n asn 15 m3} -3.065 0.88 -6.719
{ca asn 15 m3} -3.548 2.225 -7.006
{c asn 15 m3} -3.283 3.225 -5.924
{o asn 15 m3} -3.897 4.211 -5.85
{c asn 15 m3} P -3.283 3.225 -5.924
{n cys 16 m3} -2.368 2.941 -5.074
{ca cys 16 m3} -1.696 3.831 -4.127
{c cys 16 m3} -1.618 5.244 -4.626
{o cys 16 m3} -1.295 5.501 -5.704
{c cys 16 m3} P -1.618 5.244 -4.626
{n arg 17 m3} -1.932 6.157 -3.766
{ca arg 17 m3} -1.644 7.594 -3.874
{c arg 17 m3} -0.402 7.942 -3.095
{o arg 17 m3} -0.444 8.331 -2.014
{c arg 17 m3} P -0.402 7.942 -3.095
{n ala 18 m3} 0.711 7.759 -3.724
{ca ala 18 m3} 2.057 7.765 -3.144
{c ala 18 m3} 2.614 9.181 -3.125
{o ala 18 m3} 2.125 10.041 -2.38
@subgroup dominant {Zn, ligs}
@vectorlist {sc} color=cyan
{ca cys 3}P 1.53 -0.749 0.984
{cb cys 3}1.308 0.764 0.859
{sg cys 3}1.189 1.354 -0.85
{ca cys 6}P 5.376 2.927 -0.441
{cb cys 6}4.42 4.034 -0.892
{sg cys 6}3.027 4.359 0.192
{ca cys 16}P -1.696 3.831 -4.127
{cb cys 16}-0.281 3.266 -3.845
{sg cys 16}0.798 4.389 -2.953
{ca his 11}P -3.667 0.943 1.616
{cb his 11}-3.906 2.339 0.968
{cg his 11}-2.633 3.121 0.869
{nd1 his 11}-2.232 4.124 1.715
{ce1 his 11}-0.945 4.374 1.511
{ne2 his 11}-0.566 3.752 0.414
{cd2 his 11}-1.613 2.979 -0.024
{cg his 11}-2.633 3.121 0.869
@balllist {Zn} color= pink radius= .15
{Zn m3} 1.068 3.668 -0.786
@group dominant {wordlist}
@wordlist {note} color=yellowtint
{note} <Edit
this
kinemage!> -8.4 10.9 -2.2

@kinemage 4
@caption
Ribbon schematic of basic pancreatic trypsin inhibitor (BPTI) - beta strands as seagreen arrows, helix in gold, and loops in white. SS bridges in yellow with gold sulfur balls. (from PDB file 1BPI) 
@onewidth
@zoom 1.0
@zslab 200
@center 28.759 10.979 -0.389
@matrix
0.596447 -.120164 -.793607 -.733497 -.483095 -.478123 -.325934 .867283 -.37628
@2viewid {back}
@2zoom 1.0
@2zslab 200
@2center 28.759 10.979 -0.389
@2matrix
-0.66125 .096 .74399 .69885 -.28167 .65747 .27268 .9547 .11917
@master {beta}
@master {coil}
@master {alpha}
@master {edge}
@master {face}
@group {1bpiH}
@subgroup {SS} dominant
@balllist {sc S} color= gold radius= 0.25
{sg cys 5}31.456 12.942 -7.124
{sg cys 14}35.432 4.427 14.566
{sg cys 30}23.777 13.225 -4.312
{sg cys 38}36.284 5.103 12.857
{sg cys 51}25.341 13.057 -3.044
{sg cys 55}30.061 13.221 -5.711
@vectorlist {SS} color= yellow
{ca cys 14}P 32.994 1.798 13.541
{cb cys 14}width3 33.737 4.034 14.121
{sg cys 14}width3 35.432 4.427 14.566
{sg cys 38}width3 36.284 5.103 12.857
{cb cys 38}width3 36.123 6.888 12.935
{ca cys 38}width3 34.872 7.528 11.224
{ca cys 30}P 21.62 10.062 -4.553
{cb cys 30}width3 22.48 12.359 -3.449
{sg cys 30}width3 23.777 13.225 -4.312
{sg cys 51}width3 25.341 13.057 -3.044
{cb cys 51}width3 25.224 14.529 -2.059
{ca cys 51}width3 25.902 16.189 -2.655
{ca cys 5}P 32.209 9.762 -6.703
{cb cys 5}width3 31.195 11.255 -7.630
{sg cys 5}width3 31.456 12.942 -7.124
{sg cys 55}width3 30.061 13.221 -5.711
{cb cys 55}width3 28.579 13.58 -6.633
{ca cys 55}width3 28.554 15.653 -7.506
@subgroup {ribbon}
@vectorlist {ribbon} color= white nobutton master= {coil} master= {edge}
{R1 arg 1}P width4 31.718 13.292 -12.188
{"}width4 31.858 13.291 -12.088
{"}width4 32.225 13.268 -11.830
{"}width4 32.741 13.195 -11.474
{R1 pro 2}width4 33.33 13.043 -11.083
{"}width4 33.922 12.791 -10.703
{"}width4 34.496 12.444 -10.328
{"}width4 35.04 12.012 -9.936
@vectorlist {ribbon} color= gold nobutton master= {alpha} master= {edge}
{R1 pro 2}P 35.04 12.012 -9.936
{"}34.289 11.901 -9.626
{R2 pro 2}P 35.04 12.012 -9.936
{"}35.791 12.124 -10.246
{ R1 asp 3}P 34.289 11.901 -9.626
{R1 asp 3}34.772 11.211 -9.301
{"}35.239 10.496 -8.909
{"}35.622 9.836 -8.444
{"}35.833 9.319 -7.903
{ R2 asp 3}P 35.791 12.124 -10.246
{R2 asp 3}36.313 11.807 -9.710
{"}36.723 11.42 -9.134
{"}36.974 11.026 -8.540
{"}37.014 10.70 -7.960
@ribbonlist {ribbon} color= gold nobutton master= {alpha} master= {face}
{R1 asp 3}P 34.289 11.901 -9.626
{R2 asp 3}35.791 12.124 -10.246
{R1 asp 3}P 34.772 11.211 -9.301
{R2 asp 3}36.313 11.807 -9.710
{R1 asp 3}P 35.239 10.496 -8.909
{R2 asp 3}36.723 11.42 -9.134
{R1 asp 3}P 35.622 9.836 -8.444
{R2 asp 3}36.974 11.026 -8.540
{R1 asp 3}P 35.833 9.319 -7.903
{R2 asp 3}37.014 10.70 -7.960
@vectorlist {ribbon} color= gold nobutton master= {alpha} master= {edge}
{ R1 phe 4}P 35.833 9.319 -7.903
{R1 phe 4}35.789 9.036 -7.286
{"}35.432 9.039 -6.612
{"}34.821 9.229 -5.991
{"}34.046 9.471 -5.554
{ R2 phe 4}P 37.014 10.70 -7.960
{R2 phe 4}36.791 10.521 -7.422
{"}36.282 10.533 -6.961
{"}35.57 10.653 -6.621
{"}34.767 10.768 -6.450
@ribbonlist {ribbon} color= gold nobutton master= {alpha} master= {face}
{R1 phe 4}P 35.833 9.319 -7.903
{R2 phe 4}37.014 10.70 -7.960
{R1 phe 4}P 35.789 9.036 -7.286
{R2 phe 4}36.791 10.521 -7.422
{R1 phe 4}P 35.432 9.039 -6.612
{R2 phe 4}36.282 10.533 -6.961
{R1 phe 4}P 34.821 9.229 -5.991
{R2 phe 4}35.57 10.653 -6.621
{R1 phe 4}P 34.046 9.471 -5.554
{R2 phe 4}34.767 10.768 -6.450
@vectorlist {ribbon} color= gold nobutton master= {alpha} master= {edge}
{ R1 cys 5}P 34.046 9.471 -5.554
{R1 cys 5}33.194 9.629 -5.433
{"}32.356 9.593 -5.706
{"}31.619 9.358 -6.235
{"}31.074 8.944 -6.829
{ R2 cys 5}P 34.767 10.768 -6.450
{R2 cys 5}33.983 10.763 -6.495
{"}33.316 10.553 -6.772
{"}32.799 10.167 -7.170
{"}32.45 9.664 -7.544
@ribbonlist {ribbon} color= gold nobutton master= {alpha} master= {face}
{R1 cys 5}P 34.046 9.471 -5.554
{R2 cys 5}34.767 10.768 -6.450
{R1 cys 5}P 33.194 9.629 -5.433
{R2 cys 5}33.983 10.763 -6.495
{R1 cys 5}P 32.356 9.593 -5.706
{R2 cys 5}33.316 10.553 -6.772
{R1 cys 5}P 31.619 9.358 -6.235
{R2 cys 5}32.799 10.167 -7.170
{R1 cys 5}P 31.074 8.944 -6.829
{R2 cys 5}32.45 9.664 -7.544
@vectorlist {ribbon} color= gold nobutton master= {alpha} master= {edge}
{ R1 leu 6}P 31.074 8.944 -6.829
{R1 leu 6}30.811 8.371 -7.299
{"}30.882 7.668 -7.492
{"}31.201 6.893 -7.421
{"}31.641 6.109 -7.136
{ R2 leu 6}P 32.45 9.664 -7.544
{R2 leu 6}32.289 9.103 -7.752
{"}32.315 8.533 -7.685
{"}32.451 7.97 -7.382
{"}32.602 7.416 -6.915
@ribbonlist {ribbon} color= gold nobutton master= {alpha} master= {face}
{R1 leu 6}P 31.074 8.944 -6.829
{R2 leu 6}32.45 9.664 -7.544
{R1 leu 6}P 30.811 8.371 -7.299
{R2 leu 6}32.289 9.103 -7.752
{R1 leu 6}P 30.882 7.668 -7.492
{R2 leu 6}32.315 8.533 -7.685
{R1 leu 6}P 31.201 6.893 -7.421
{R2 leu 6}32.451 7.97 -7.382
{R1 leu 6}P 31.641 6.109 -7.136
{R2 leu 6}32.602 7.416 -6.915
@vectorlist {ribbon} color= gold nobutton master= {alpha} master= {edge}
{ R1 glu 7}P 31.641 6.109 -7.136
{R1 glu 7}32.08 5.383 -6.688
{"}32.413 4.77 -6.124
{"}32.62 4.289 -5.475
{"}32.702 3.947 -4.770
{ R2 glu 7}P 32.602 7.416 -6.915
{R2 glu 7}32.671 6.878 -6.358
{"}32.585 6.36 -5.772
{"}32.357 5.867 -5.174
{"}32.022 5.404 -4.567
@ribbonlist {ribbon} color= gold nobutton master= {alpha} master= {face}
{R1 glu 7}P 31.641 6.109 -7.136
{R2 glu 7}32.602 7.416 -6.915
{R1 glu 7}P 32.08 5.383 -6.688
{R2 glu 7}32.671 6.878 -6.358
{R1 glu 7}P 32.413 4.77 -6.124
{R2 glu 7}32.585 6.36 -5.772
{R1 glu 7}P 32.62 4.289 -5.475
{R2 glu 7}32.357 5.867 -5.174
{R1 glu 7}P 32.702 3.947 -4.770
{R2 glu 7}32.022 5.404 -4.567
@vectorlist {ribbon} color= gold nobutton master= {alpha} master= {edge}
{ R1 pro 8}P 32.702 3.947 -4.770
{R1 pro 8}32.136 4.364 -3.995
{ R2 pro 8}P 32.022 5.404 -4.567
{R2 pro 8}32.136 4.364 -3.995
@ribbonlist {ribbon} color= gold nobutton master= {alpha} master= {face}
{R1 pro 8}P 32.702 3.947 -4.770
{R2 pro 8}32.022 5.404 -4.567
{R1 pro 8}P 32.136 4.364 -3.995
{R2 pro 8}32.136 4.364 -3.995
@vectorlist {ribbon} color= white nobutton master= {coil} master= {edge}
{R1 pro 8}P width4 32.136 4.364 -3.995
{"}width4 31.834 4.148 -3.317
{"}width4 31.507 4.013 -2.632
{"}width4 31.209 3.947 -1.936
{R1 pro 9}width4 30.995 3.931 -1.222
{"}width4 30.906 3.95 -0.486
{"}width4 30.919 3.978 0.267
{"}width4 30.997 3.987 1.033
{R1 tyr 10}width4 31.101 3.952 1.809
{"}width4 31.203 3.852 2.588
{"}width4 31.307 3.701 3.358
{"}width4 31.425 3.519 4.108
{R1 thr 11}width4 31.57 3.326 4.824
{"}width4 31.753 3.138 5.499
{"}width4 31.987 2.95 6.137
{"}width4 32.28 2.75 6.750
{R1 gly 12}width4 32.644 2.529 7.346
{"}width4 33.076 2.281 7.936
{"}width4 33.528 2.028 8.531
{"}width4 33.939 1.801 9.140
{R1 pro 13}width4 34.248 1.627 9.776
{"}width4 34.406 1.528 10.442
{"}width4 34.406 1.497 11.122
{"}width4 34.256 1.521 11.793
{R1 cys 14}width4 33.961 1.584 12.431
{"}width4 33.531 1.676 13.017
{"}width4 32.994 1.798 13.541
{"}width4 32.382 1.95 13.994
{R1 lys 15}width4 31.729 2.137 14.369
{"}width4 31.061 2.361 14.660
{"}width4 30.389 2.622 14.858
{"}width4 29.717 2.919 14.957
{R1 ala 16}width4 29.05 3.252 14.949
{"}width4 28.396 3.619 14.832
{"}width4 27.768 4.014 14.618
{"}width4 27.182 4.428 14.323
{ R2 ala 16}P 29.717 2.919 14.957
@vectorlist {ribbon} color= sea nobutton master= {beta} master= {edge}
{R1 ala 16}P 27.182 4.428 14.323
{"}27.735 4.143 13.764
{R2 ala 16}P 27.182 4.428 14.323
{"}26.628 4.714 14.882
{ R1 arg 17}P 27.735 4.143 13.764
{R1 arg 17}27.198 4.438 13.399
{"}26.764 4.82 12.997
{"}26.416 5.272 12.562
{"}26.122 5.762 12.092
{ R2 arg 17}P 26.628 4.714 14.882
{R2 arg 17}26.105 5.272 14.531
{"}25.614 5.756 14.119
{"}25.157 6.182 13.659
{"}24.743 6.584 13.162
@ribbonlist {ribbon} color= sea nobutton master= {beta} master= {face}
{R1 arg 17}P 27.735 4.143 13.764
{R2 arg 17}26.628 4.714 14.882
{R1 arg 17}P 27.198 4.438 13.399
{R2 arg 17}26.105 5.272 14.531
{R1 arg 17}P 26.764 4.82 12.997
{R2 arg 17}25.614 5.756 14.119
{R1 arg 17}P 26.416 5.272 12.562
{R2 arg 17}25.157 6.182 13.659
{R1 arg 17}P 26.122 5.762 12.092
{R2 arg 17}24.743 6.584 13.162
@vectorlist {ribbon} color= sea nobutton master= {beta} master= {edge}
{ R1 ile 18}P 26.122 5.762 12.092
{R1 ile 18}25.852 6.262 11.588
{"}25.581 6.742 11.047
{"}25.311 7.187 10.473
{"}25.05 7.584 9.868
{ R2 ile 18}P 24.743 6.584 13.162
{R2 ile 18}24.378 6.997 12.642
{"}24.071 7.444 12.105
{"}23.826 7.917 11.546
{"}23.648 8.396 10.953
@ribbonlist {ribbon} color= sea nobutton master= {beta} master= {face}
{R1 ile 18}P 26.122 5.762 12.092
{R2 ile 18}24.743 6.584 13.162
{R1 ile 18}P 25.852 6.262 11.588
{R2 ile 18}24.378 6.997 12.642
{R1 ile 18}P 25.581 6.742 11.047
{R2 ile 18}24.071 7.444 12.105
{R1 ile 18}P 25.311 7.187 10.473
{R2 ile 18}23.826 7.917 11.546
{R1 ile 18}P 25.05 7.584 9.868
{R2 ile 18}23.648 8.396 10.953
@vectorlist {ribbon} color= sea nobutton master= {beta} master= {edge}
{ R1 ile 19}P 25.05 7.584 9.868
{R1 ile 19}24.807 7.918 9.235
{"}24.589 8.184 8.577
{"}24.401 8.402 7.898
{"}24.249 8.599 7.201
{ R2 ile 19}P 23.648 8.396 10.953
{R2 ile 19}23.542 8.861 10.314
{"}23.512 9.298 9.621
{"}23.555 9.703 8.877
{"}23.667 10.076 8.087
@ribbonlist {ribbon} color= sea nobutton master= {beta} master= {face}
{R1 ile 19}P 25.05 7.584 9.868
{R2 ile 19}23.648 8.396 10.953
{R1 ile 19}P 24.807 7.918 9.235
{R2 ile 19}23.542 8.861 10.314
{R1 ile 19}P 24.589 8.184 8.577
{R2 ile 19}23.512 9.298 9.621
{R1 ile 19}P 24.401 8.402 7.898
{R2 ile 19}23.555 9.703 8.877
{R1 ile 19}P 24.249 8.599 7.201
{R2 ile 19}23.667 10.076 8.087
@vectorlist {ribbon} color= sea nobutton master= {beta} master= {edge}
{ R1 arg 20}P 24.249 8.599 7.201
{R1 arg 20}24.137 8.802 6.491
{"}24.069 9.029 5.769
{"}24.043 9.263 5.030
{"}24.054 9.478 4.264
{ R2 arg 20}P 23.667 10.076 8.087
{R2 arg 20}23.845 10.419 7.256
{"}24.083 10.728 6.392
{"}24.365 10.98 5.516
{"}24.671 11.149 4.650
@ribbonlist {ribbon} color= sea nobutton master= {beta} master= {face}
{R1 arg 20}P 24.249 8.599 7.201
{R2 arg 20}23.667 10.076 8.087
{R1 arg 20}P 24.137 8.802 6.491
{R2 arg 20}23.845 10.419 7.256
{R1 arg 20}P 24.069 9.029 5.769
{R2 arg 20}24.083 10.728 6.392
{R1 arg 20}P 24.043 9.263 5.030
{R2 arg 20}24.365 10.98 5.516
{R1 arg 20}P 24.054 9.478 4.264
{R2 arg 20}24.671 11.149 4.650
@vectorlist {ribbon} color= sea nobutton master= {beta} master= {edge}
{ R1 tyr 21}P 24.054 9.478 4.264
{R1 tyr 21}24.10 9.648 3.464
{"}24.176 9.752 2.626
{"}24.28 9.796 1.769
{"}24.41 9.791 0.919
{ R2 tyr 21}P 24.671 11.149 4.650
{R2 tyr 21}24.983 11.211 3.816
{"}25.287 11.148 3.029
{"}25.581 10.987 2.269
{"}25.87 10.766 1.506
@ribbonlist {ribbon} color= sea nobutton master= {beta} master= {face}
{R1 tyr 21}P 24.054 9.478 4.264
{R2 tyr 21}24.671 11.149 4.650
{R1 tyr 21}P 24.10 9.648 3.464
{R2 tyr 21}24.983 11.211 3.816
{R1 tyr 21}P 24.176 9.752 2.626
{R2 tyr 21}25.287 11.148 3.029
{R1 tyr 21}P 24.28 9.796 1.769
{R2 tyr 21}25.581 10.987 2.269
{R1 tyr 21}P 24.41 9.791 0.919
{R2 tyr 21}25.87 10.766 1.506
@vectorlist {ribbon} color= sea nobutton master= {beta} master= {edge}
{ R1 phe 22}P 24.41 9.791 0.919
{R1 phe 22}24.562 9.75 0.099
{"}24.73 9.682 -0.671
{"}24.891 9.585 -1.400
{"}25.017 9.458 -2.1
{ R2 phe 22}P 25.87 10.766 1.506
{R2 phe 22}26.157 10.521 0.714
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{R2 asp 50}25.236 18.525 -0.273
{R1 asp 50}P 26.784 18.306 -1.823
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{"}26.952 16.746 -2.569
{"}26.632 16.167 -3.245
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{R2 cys 51}25.688 17.111 -0.801
{"}25.519 16.558 -1.363
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{"}27.055 19.694 -6.872
{"}27.955 19.829 -6.748
{ R2 arg 53}P 24.469 18.319 -4.964
{R2 arg 53}24.934 18.98 -5.142
{"}25.631 19.415 -5.166
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{R2 arg 53}24.469 18.319 -4.964
{R1 arg 53}P 25.596 18.634 -6.865
{R2 arg 53}24.934 18.98 -5.142
{R1 arg 53}P 26.225 19.279 -6.939
{R2 arg 53}25.631 19.415 -5.166
{R1 arg 53}P 27.055 19.694 -6.872
{R2 arg 53}26.46 19.595 -5.097
{R1 arg 53}P 27.955 19.829 -6.748
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{R1 thr 54}28.793 19.631 -6.649
{"}29.455 19.083 -6.643
{"}29.894 18.292 -6.742
{"}30.078 17.397 -6.942
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{R2 thr 54}28.03 19.173 -4.969
{"}28.548 18.587 -5.041
{"}28.843 17.865 -5.228
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{R1 thr 54}P 27.955 19.829 -6.748
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{R1 thr 54}P 28.793 19.631 -6.649
{R2 thr 54}28.03 19.173 -4.969
{R1 thr 54}P 29.455 19.083 -6.643
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{R1 thr 54}P 29.894 18.292 -6.742
{R2 thr 54}28.843 17.865 -5.228
{R1 thr 54}P 30.078 17.397 -6.942
{R2 thr 54}28.927 17.138 -5.519
@vectorlist {ribbon} color= gold nobutton master= {alpha} master= {edge}
{ R1 cys 55}P 30.078 17.397 -6.942
{R1 cys 55}29.978 16.539 -7.241
{"}29.587 15.835 -7.635
{"}28.989 15.316 -8.107
{"}28.294 14.995 -8.641
{ R2 cys 55}P 28.927 17.138 -5.519
{R2 cys 55}28.809 16.539 -5.904
{"}28.514 16.166 -6.372
{"}28.119 15.99 -6.905
{"}27.715 15.952 -7.487
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{R1 cys 55}P 30.078 17.397 -6.942
{R2 cys 55}28.927 17.138 -5.519
{R1 cys 55}P 29.978 16.539 -7.241
{R2 cys 55}28.809 16.539 -5.904
{R1 cys 55}P 29.587 15.835 -7.635
{R2 cys 55}28.514 16.166 -6.372
{R1 cys 55}P 28.989 15.316 -8.107
{R2 cys 55}28.119 15.99 -6.905
{R1 cys 55}P 28.294 14.995 -8.641
{R2 cys 55}27.715 15.952 -7.487
@vectorlist {ribbon} color= gold nobutton master= {alpha} master= {edge}
{ R1 gly 56}P 28.294 14.995 -8.641
{R1 gly 56}27.61 14.88 -9.220
{"}27.032 14.971 -9.828
{"}26.60 15.228 -10.462
{"}26.339 15.599 -11.117
{ R2 gly 56}P 27.715 15.952 -7.487
{R2 gly 56}27.393 15.991 -8.097
{"}27.22 16.062 -8.722
{"}27.163 16.18 -9.352
{"}27.166 16.376 -9.985
@ribbonlist {ribbon} color= gold nobutton master= {alpha} master= {face}
{R1 gly 56}P 28.294 14.995 -8.641
{R2 gly 56}27.715 15.952 -7.487
{R1 gly 56}P 27.61 14.88 -9.220
{R2 gly 56}27.393 15.991 -8.097
{R1 gly 56}P 27.032 14.971 -9.828
{R2 gly 56}27.22 16.062 -8.722
{R1 gly 56}P 26.60 15.228 -10.462
{R2 gly 56}27.163 16.18 -9.352
{R1 gly 56}P 26.339 15.599 -11.117
{R2 gly 56}27.166 16.376 -9.985
@vectorlist {ribbon} color= gold nobutton master= {alpha} master= {edge}
{ R1 gly 57}P 26.339 15.599 -11.117
{R1 gly 57}26.274 16.034 -11.793
{ R2 gly 57}P 27.166 16.376 -9.985
{R2 gly 57}27.172 16.681 -10.615
@ribbonlist {ribbon} color= gold nobutton master= {alpha} master= {face}
{R1 gly 57}P 26.339 15.599 -11.117
{R2 gly 57}27.166 16.376 -9.985
{R1 gly 57}P 26.274 16.034 -11.793
{R2 gly 57}27.172 16.681 -10.615
@vectorlist {ribbon} color= gold nobutton master= {alpha} master= {edge}
{R1 gly 57}P 26.274 16.034 -11.793
{R1 gly 57}26.775 16.799 -11.858
{R2 gly 57}P 27.172 16.681 -10.615
{R1 gly 57}26.775 16.799 -11.858
@trianglelist {ribbon} color= gold nobutton master= {alpha} master= {face}
{R1 gly 57}P 26.274 16.034 -11.793
{R2 gly 57}27.172 16.681 -10.615
{R1 gly 57}26.775 16.799 -11.858
@vectorlist {ribbon} color= white nobutton master= {coil} master= {edge}
{R1 gly 57}P 26.775 16.799 -11.858
{"}width4 26.877 17.288 -12.491
{"}width4 26.992 17.793 -13.079
{R1 ala 58}width4 27.085 18.285 -13.595
{"}width4 27.129 18.737 -14.020
{"}width4 27.132 19.132 -14.354
{"}width4 27.057 19.958 -14.967
@subgroup dominant {labels} off
@labellist {lbl} color= yellowtint
{ N-t} 31.718 13.292 -12.188
{ C-t} 27.057 19.958 -14.967
{ K 15}30.466 2.175 14.791

@kinemage 5
@caption
Ribonuclease F1 - use of small-probe contact dots to determine Asn/Gln amide orientations.  In each view, animate to see effects of amide flip.  (from PDB file 1FUS, with H atoms added by Reduce and dots calculated by Probe)
@lens 6.00
@viewid {N10}
@zoom 3.71
@zslab 170
@ztran 0
@center 11.566 -21.417 0.261
@matrix
-0.239530 0.892140 0.383030 -0.295480 0.308820 -0.904060 -0.924830 -0.329730 0.189640
@2viewid {Q15}
@2zoom 3.22
@2zslab 140
@2center 3.800 -19.193 -2.338
@2matrix
-0.262672 0.822703 -0.504145 -0.751274 -0.502250 -0.428175 -0.605467 0.266282 0.750002
@3viewid {N21 - Q25}
@3zoom 3.51
@3zslab 110
@3center -4.889 -11.581 -9.424
@3matrix
0.280980 -0.957780 0.060888 -0.658980 -0.238669 -0.713289 0.697705 0.160297 -0.698220
@4viewid {N29}
@4zoom 3.80
@4zslab 110
@4center -6.930 -4.492 -13.367
@4matrix
-0.923635 0.008695 -0.383177 -0.083402 -0.980346 0.178790 -0.374090 0.197095 0.906206
@5viewid {N44}
@5zoom 3.72
@5zslab 120
@5center 15.682 -7.605 -14.549
@5matrix
0.826008 0.335056 0.453265 0.184470 -0.920554 0.344310 0.532617 -0.200790 -0.822193
@6viewid {Q57}
@6zoom 3.52
@6zslab 110
@6center 4.979 -3.124 -12.661
@6matrix
-0.475538 -0.570713 -0.669440 -0.705370 0.702103 -0.097500 0.525660 0.425838 -0.736440
@7viewid {N81}
@7zoom 3.71
@7zslab 100
@7center 4.656 -10.402 -18.462
@7matrix
0.831795 0.539542 -0.130425 0.550055 -0.769635 0.324193 0.074537 -0.341404 -0.936956
@8viewid {N83}
@8zoom 4.90
@8zslab 110
@8center 1.309 -8.651 -22.540
@8matrix
-0.931254 -0.280486 -0.232580 0.146878 0.295186 -0.944082 0.333456 -0.913342 -0.233696
@9viewid {N107}
@9zoom 4.40
@9zslab 100
@9center 19.197 -17.257 -10.545
@9matrix
0.539090 -0.309060 0.783495 0.627364 -0.473320 -0.618370 0.561958 0.824894 -0.061270
@10viewid {overview}
@10zoom 1.10
@10zslab 300
@10center 8.047 -9.271 -8.049
@10matrix
0.144120 0.468816 -0.871460 -0.392700 -0.781245 -0.485227 -0.908304 0.412152 0.071510
@master {contacts}
@master {overlaps}
@master {H-bonds}
@group {RNase F1}
@subgroup {main ch} dominant
@vectorlist {mc} color= white
{ca pca 1}P 5.694 -20.702 -10.956
{ca ser 2}7.268 -23.296 -8.790
{ca ala 3}8.138 -23.352 -5.099
{c ala 3}9.529 -22.649 -5.237
{o ala 3}10.383 -23.063 -6.064
{c ala 3}P 9.529 -22.649 -5.237
{n thr 4}9.628 -21.565 -4.465
{ca thr 4}10.848 -20.754 -4.475
{c thr 4}11.261 -20.363 -3.073
{o thr 4}10.441 -20.246 -2.131
{c thr 4}P 11.261 -20.363 -3.073
{n thr 5}12.579 -20.173 -2.921
{ca thr 5}13.169 -19.731 -1.657
{c thr 5}13.757 -18.311 -1.870
{o thr 5}14.611 -18.168 -2.759
{c thr 5}P 13.757 -18.311 -1.870
{n cys 6}13.322 -17.379 -1.077
{ca cys 6}13.772 -15.986 -1.133
{c cys 6}14.542 -15.781 0.181
{o cys 6}13.908 -15.634 1.207
{c cys 6}P 14.542 -15.781 0.181
{n gly 7}15.860 -15.836 -0.005
{ca gly 7}16.741 -15.744 1.203
{c gly 7}16.677 -17.158 1.806
{o gly 7}17.251 -18.144 1.327
{c gly 7}P 16.677 -17.158 1.806
{n ser 8}15.901 -17.216 2.876
{ca ser 8}15.657 -18.512 3.540
{c ser 8}14.133 -18.650 3.709
{o ser 8}13.655 -19.578 4.429
{c ser 8}P 14.133 -18.650 3.709
{n thr 9}13.399 -17.783 3.033
{ca thr 9}11.905 -17.834 3.138
{c thr 9}11.405 -18.709 1.992
{o thr 9}11.672 -18.466 0.806
{c thr 9}P 11.405 -18.709 1.992
{n asn 10}10.569 -19.682 2.421
{ca asn 10}10.044 -20.569 1.409
{c asn 10}8.602 -20.220 1.002
{o asn 10}7.796 -20.111 1.920
{c asn 10}P 8.602 -20.220 1.002
{n tyr 11}8.395 -20.213 -0.301
{ca tyr 11}7.021 -19.980 -0.814
{c tyr 11}6.640 -21.178 -1.690
{o tyr 11}7.508 -21.570 -2.504
{c tyr 11}P 6.640 -21.178 -1.690
{n ser 12}5.381 -21.618 -1.572
{ca ser 12}4.933 -22.750 -2.427
{c ser 12}4.561 -22.208 -3.813
{o ser 12}4.397 -20.943 -3.954
{c ser 12}P 4.561 -22.208 -3.813
{n ala 13}4.349 -23.117 -4.764
{ca ala 13}3.937 -22.733 -6.116
{c ala 13}2.650 -21.897 -6.071
{o ala 13}2.486 -20.867 -6.738
{c ala 13}P 2.650 -21.897 -6.071
{n ser 14}1.706 -22.338 -5.236
{ca ser 14}0.400 -21.655 -5.068
{c ser 14}0.567 -20.231 -4.518
{o ser 14}-0.178 -19.346 -4.907
{c ser 14}P 0.567 -20.231 -4.518
{n gln 15}1.475 -20.065 -3.560
{ca gln 15}1.689 -18.742 -3.001
{c gln 15}2.243 -17.806 -4.091
{o gln 15}1.847 -16.618 -4.160
{c gln 15}P 2.243 -17.806 -4.091
{n val 16}3.179 -18.303 -4.904
{ca val 16}3.782 -17.446 -5.936
{c val 16}2.685 -17.005 -6.933
{o val 16}2.587 -15.864 -7.371
{c val 16}P 2.685 -17.005 -6.933
{n arg 17}1.910 -18.020 -7.294
{ca arg 17}0.789 -17.863 -8.244
{c arg 17}-0.199 -16.831 -7.699
{o arg 17}-0.599 -15.922 -8.443
{c arg 17}P -0.199 -16.831 -7.699
{n ala 18}-0.542 -16.913 -6.435
{ca ala 18}-1.483 -15.989 -5.812
{c ala 18}-1.021 -14.544 -5.908
{o ala 18}-1.820 -13.664 -6.157
{c ala 18}P -1.021 -14.544 -5.908
{n ala 19}0.263 -14.326 -5.631
{ca ala 19}0.865 -12.969 -5.652
{c ala 19}0.863 -12.382 -7.086
{o ala 19}0.534 -11.212 -7.364
{c ala 19}P 0.863 -12.382 -7.086
{n ala 20}1.286 -13.274 -7.994
{ca ala 20}1.341 -12.969 -9.409
{c ala 20}-0.064 -12.583 -9.928
{o ala 20}-0.171 -11.608 -10.657
{c ala 20}P -0.064 -12.583 -9.928
{n asn 21}-1.048 -13.390 -9.546
{ca asn 21}-2.429 -13.123 -9.982
{c asn 21}-2.882 -11.789 -9.419
{o asn 21}-3.538 -10.986 -10.136
{c asn 21}P -2.882 -11.789 -9.419
{n ala 22}-2.586 -11.550 -8.159
{ca ala 22}-3.006 -10.248 -7.564
{c ala 22}-2.343 -9.103 -8.325
{o ala 22}-2.998 -8.058 -8.611
{c ala 22}P -2.343 -9.103 -8.325
{n ala 23}-1.020 -9.311 -8.587
{ca ala 23}-0.263 -8.250 -9.316
{c ala 23}-1.001 -7.876 -10.629
{o ala 23}-1.248 -6.730 -10.963
{c ala 23}P -1.001 -7.876 -10.629
{n cys 24}-1.326 -8.928 -11.371
{ca cys 24}-2.044 -8.821 -12.660
{c cys 24}-3.355 -8.040 -12.544
{o cys 24}-3.592 -7.104 -13.306
{c cys 24}P -3.355 -8.040 -12.544
{n gln 25}-4.159 -8.463 -11.596
{ca gln 25}-5.467 -7.870 -11.323
{c gln 25}-5.296 -6.369 -11.031
{o gln 25}-6.095 -5.623 -11.623
{c gln 25}P -5.296 -6.369 -11.031
{n tyr 26}-4.318 -6.011 -10.205
{ca tyr 26}-4.177 -4.547 -9.948
{c tyr 26}-3.748 -3.763 -11.191
{o tyr 26}-4.252 -2.663 -11.443
{c tyr 26}P -3.748 -3.763 -11.191
{n tyr 27}-2.786 -4.369 -11.871
{ca tyr 27}-2.188 -3.722 -13.071
{c tyr 27}-3.217 -3.423 -14.143
{o tyr 27}-3.303 -2.343 -14.711
{c tyr 27}P -3.217 -3.423 -14.143
{n gln 28}-4.000 -4.473 -14.425
{ca gln 28}-5.077 -4.406 -15.427
{c gln 28}-6.208 -3.482 -14.982
{o gln 28}-7.006 -3.088 -15.867
{c gln 28}P -6.208 -3.482 -14.982
{n asn 29}-6.344 -3.180 -13.727
{ca asn 29}-7.379 -2.306 -13.188
{c asn 29}-6.831 -0.884 -12.981
{o asn 29}-7.570 -0.052 -12.450
{c asn 29}P -6.831 -0.884 -12.981
{n asp 30}-5.593 -0.692 -13.329
{ca asp 30}-4.930 0.626 -13.137
{c asp 30}-4.996 1.125 -11.698
{o asp 30}-5.074 2.362 -11.471
{c asp 30}P -4.996 1.125 -11.698
{n asp 31}-4.973 0.204 -10.782
{ca asp 31}-5.061 0.451 -9.342
{ca thr 32}-2.516 -0.020 -6.538
{ca ala 33}-2.722 -2.061 -3.290
{ca gly 34}-3.830 0.487 -0.618
{ca ser 35}-1.596 3.559 -0.253
{ca ser 36}1.382 1.818 -1.838
{ca thr 37}2.671 2.275 -5.346
{ca tyr 38}2.450 -1.478 -6.007
{c tyr 38}1.087 -1.876 -6.598
{o tyr 38}0.053 -1.606 -5.958
{c tyr 38}P 1.087 -1.876 -6.598
{n pro 39}1.122 -2.551 -7.749
{ca pro 39}2.303 -2.871 -8.559
{c pro 39}2.764 -1.643 -9.356
{o pro 39}1.983 -0.747 -9.707
{c pro 39}P 2.764 -1.643 -9.356
{n his 40}4.086 -1.613 -9.608
{ca his 40}4.643 -0.513 -10.424
{c his 40}5.738 -1.047 -11.317
{o his 40}6.212 -2.167 -11.136
{c his 40}P 5.738 -1.047 -11.317
{n thr 41}6.118 -0.288 -12.309
{ca thr 41}7.159 -0.643 -13.256
{ca tyr 42}10.205 -2.772 -12.673
{ca asn 43}13.477 -1.815 -14.372
{c asn 43}14.614 -2.813 -13.987
{o asn 43}15.223 -2.784 -12.943
{c asn 43}P 14.614 -2.813 -13.987
{n asn 44}14.869 -3.656 -14.994
{ca asn 44}15.885 -4.688 -14.885
{c asn 44}17.296 -4.123 -15.114
{o asn 44}18.050 -4.591 -15.972
{c asn 44}P 17.296 -4.123 -15.114
{n tyr 45}17.663 -3.133 -14.290
{ca tyr 45}18.990 -2.507 -14.456
{c tyr 45}20.071 -3.463 -14.014
{o tyr 45}21.248 -3.308 -14.395
{c tyr 45}P 20.071 -3.463 -14.014
{n glu 46}19.690 -4.473 -13.231
{ca glu 46}20.714 -5.423 -12.779
{c glu 46}20.991 -6.516 -13.784
{o glu 46}22.029 -7.203 -13.623
{c glu 46}P 20.991 -6.516 -13.784
{n gly 47}20.109 -6.739 -14.748
{ca gly 47}20.431 -7.813 -15.715
{c gly 47}19.982 -9.222 -15.377
{o gly 47}20.690 -10.212 -15.718
{c gly 47}P 19.982 -9.222 -15.377
{n phe 48}18.829 -9.348 -14.770
{ca phe 48}18.232 -10.675 -14.503
{c phe 48}17.896 -11.255 -15.918
{o phe 48}17.373 -10.550 -16.794
{c phe 48}P 17.896 -11.255 -15.918
{n asp 49}18.183 -12.547 -16.013
{ca asp 49}17.898 -13.315 -17.234
{ca phe 50}14.085 -13.531 -17.042
{ca pro 51}12.396 -16.233 -19.177
{ca val 52}9.863 -13.697 -20.491
{ca asp 53}10.253 -10.308 -22.197
{c asp 53}9.386 -9.329 -21.387
{o asp 53}8.261 -9.587 -20.899
{c asp 53}P 9.386 -9.329 -21.387
{n gly 54}9.967 -8.153 -21.231
{ca gly 54}9.367 -7.011 -20.513
{ca pro 55}8.253 -4.417 -19.765
{ca tyr 56}7.851 -5.526 -16.174
{c tyr 56}7.152 -4.678 -15.114
{o tyr 56}7.277 -3.458 -15.043
{c tyr 56}P 7.152 -4.678 -15.114
{n gln 57}6.475 -5.424 -14.232
{ca gln 57}5.774 -4.954 -13.035
{c gln 57}6.252 -5.813 -11.829
{o gln 57}6.451 -7.029 -11.959
{c gln 57}P 6.252 -5.813 -11.829
{n glu 58}6.459 -5.129 -10.702
{ca glu 58}6.848 -5.839 -9.469
{ca phe 59}4.580 -6.620 -6.529
{ca pro 60}5.375 -7.860 -3.001
{ca ile 61}5.035 -11.491 -1.954
{ca lys 62}4.774 -12.388 1.773
{ca ser 63}4.148 -15.626 3.747
{ca gly 64}1.057 -14.293 5.536
{ca gly 65}-1.121 -13.618 2.497
{ca val 67}-1.534 -11.550 -0.660
{ca tyr 68}-0.285 -8.013 -0.228
{ca thr 69}-2.957 -5.417 0.425
{ca gly 70}-0.772 -2.457 1.548
{ca gly 71}1.547 -1.646 4.452
{ca ser 72}5.141 -2.776 4.707
{ca pro 73}6.025 -4.857 1.650
{ca gly 74}8.873 -6.938 3.167
{ca ala 75}11.953 -7.913 1.153
{ca asp 76}10.426 -10.142 -1.522
{ca arg 77}8.786 -9.440 -4.857
{ca val 78}7.202 -11.270 -7.765
{ca val 79}7.903 -9.946 -11.259
{ca ile 80}5.357 -10.235 -14.092
{c ile 80}5.580 -9.237 -15.237
{o ile 80}6.084 -8.111 -15.015
{c ile 80}P 5.580 -9.237 -15.237
{n asn 81}5.214 -9.647 -16.470
{ca asn 81}5.307 -8.727 -17.619
{c asn 81}3.885 -8.169 -17.825
{o asn 81}2.977 -8.551 -17.068
{c asn 81}P 3.885 -8.169 -17.825
{n thr 82}3.742 -7.308 -18.799
{ca thr 82}2.496 -6.575 -19.087
{c thr 82}1.384 -7.452 -19.610
{o thr 82}0.211 -7.010 -19.701
{c thr 82}P 1.384 -7.452 -19.610
{n asn 83}1.734 -8.699 -19.883
{ca asn 83}0.769 -9.710 -20.319
{c asn 83}0.447 -10.663 -19.170
{o asn 83}-0.181 -11.718 -19.343
{c asn 83}P 0.447 -10.663 -19.170
{n cys 84}0.964 -10.323 -17.994
{ca cys 84}0.782 -11.138 -16.802
{c cys 84}1.506 -12.488 -16.867
{o cys 84}1.064 -13.435 -16.190
{c cys 84}P 1.506 -12.488 -16.867
{n glu 85}2.535 -12.556 -17.682
{ca glu 85}3.382 -13.761 -17.769
{c glu 85}4.353 -13.619 -16.553
{o glu 85}4.866 -12.515 -16.263
{c glu 85}P 4.353 -13.619 -16.553
{n tyr 86}4.498 -14.713 -15.830
{ca tyr 86}5.403 -14.755 -14.667
{ca ala 87}9.021 -13.549 -14.930
{ca gly 88}10.458 -14.560 -11.519
{ca ala 89}10.936 -13.822 -7.836
{ca ile 90}13.498 -11.360 -6.407
{ca thr 91}14.561 -10.308 -2.932
{ca his 92}16.518 -7.590 -1.105
{ca thr 93}17.718 -10.404 1.193
{ca gly 94}21.370 -11.012 0.422
{ca ala 95}21.663 -7.954 -1.850
{ca ser 96}23.577 -4.747 -0.987
{ca gly 97}21.987 -1.301 -0.859
{ca asn 98}18.628 -1.136 -2.627
{ca asn 99}19.506 -3.906 -5.101
{ca phe 100}17.840 -7.245 -5.497
{ca val 101}19.186 -10.814 -5.880
{ca gly 102}17.096 -13.686 -7.287
{ca cys 103}14.994 -16.039 -5.233
{ca ser 104}15.770 -19.661 -6.162
{c ser 104}14.966 -19.813 -7.447
{o ser 104}13.737 -19.699 -7.561
{c ser 104}P 14.966 -19.813 -7.447
{n gly 105}15.697 -20.066 -8.544
{ca gly 105}15.121 -20.253 -9.861
{c gly 105}15.192 -19.006 -10.714
{o gly 105}14.963 -19.089 -11.937
{c gly 105}P 15.192 -19.006 -10.714
{n thr 106}15.470 -17.872 -10.098
{ca thr 106}15.561 -16.627 -10.906
{c thr 106}17.048 -16.253 -10.864
{o thr 106}17.551 -16.059 -9.736
{c thr 106}P 17.048 -16.253 -10.864
{n asn 107}17.587 -16.166 -12.049
{ca asn 107}19.033 -15.822 -12.160
{c asn 107}19.324 -14.718 -13.171
{o asn 107}18.419 -14.083 -13.709
{c asn 107}P 19.324 -14.718 -13.171
{oxt asn 107}20.540 -14.508 -13.393
@vectorlist {mc H} color= gray lens
{n asn 10}P 10.569 -19.682 2.421
{h asn 10}10.279 -19.848 3.364
{ca asn 10}P 10.044 -20.569 1.409
{ha asn 10}10.682 -20.436 0.523
{ca tyr 11}P 7.021 -19.980 -0.814
{ha tyr 11}6.345 -19.848 0.043
{n ser 12}P 5.381 -21.618 -1.572
{h ser 12}4.694 -21.248 -0.946
{ca ser 12}P 4.933 -22.750 -2.427
{ha ser 12}5.751 -23.482 -2.503
{n gln 15}P 1.475 -20.065 -3.560
{h gln 15}2.044 -20.792 -3.175
{ca gln 15}P 1.689 -18.742 -3.001
{ha gln 15}0.715 -18.354 -2.667
{n val 16}P 3.179 -18.303 -4.904
{h val 16}3.522 -19.242 -4.875
{n asn 21}P -1.048 -13.390 -9.546
{h asn 21}-0.933 -14.196 -8.965
{ca asn 21}P -2.429 -13.123 -9.982
{ha asn 21}-2.439 -13.063 -11.080
{n ala 22}P -2.586 -11.550 -8.159
{h ala 22}-2.095 -12.172 -7.548
{ca ala 22}P -3.006 -10.248 -7.564
{ha ala 22}-4.091 -10.085 -7.639
{ca ala 23}P -0.263 -8.250 -9.316
{ha ala 23}-0.231 -7.378 -8.646
{n gln 25}P -4.159 -8.463 -11.596
{h gln 25}-3.932 -9.225 -10.990
{ca gln 25}P -5.467 -7.870 -11.323
{ha gln 25}-6.041 -8.060 -12.242
{n tyr 26}P -4.318 -6.011 -10.205
{h tyr 26}-3.672 -6.618 -9.742
{ca tyr 26}P -4.177 -4.547 -9.948
{ha tyr 26}-5.183 -4.243 -9.624
{n tyr 27}P -2.786 -4.369 -11.871
{h tyr 27}-2.406 -5.265 -11.641
{ca tyr 27}P -2.188 -3.722 -13.071
{ha tyr 27}-1.770 -2.744 -12.791
{n gln 28}P -4.000 -4.473 -14.425
{h gln 28}-3.910 -5.365 -13.981
{ca gln 28}P -5.077 -4.406 -15.427
{ha gln 28}-4.639 -3.986 -16.345
{n asn 29}P -6.344 -3.180 -13.727
{h asn 29}-5.730 -3.536 -13.022
{ca asn 29}P -7.379 -2.306 -13.188
{ha asn 29}-8.202 -2.237 -13.914
{n asp 30}P -5.593 -0.692 -13.329
{h asp 30}-5.011 -1.394 -13.739
{ca pro 39}P 2.303 -2.871 -8.559
{ha pro 39}3.170 -3.179 -7.956
{n his 40}P 4.086 -1.613 -9.608
{h his 40}4.749 -2.288 -9.284
{ca his 40}P 4.643 -0.513 -10.424
{ha his 40}3.810 -0.128 -11.031
{n thr 41}P 6.118 -0.288 -12.309
{h thr 41}5.711 0.607 -12.489
{ca thr 41}P 7.159 -0.643 -13.256
{ha thr 41}6.684 -1.401 -13.896
{n asn 44}P 14.869 -3.656 -14.994
{h asn 44}14.391 -3.638 -15.872
{ca asn 44}P 15.885 -4.688 -14.885
{ha asn 44}15.956 -5.085 -13.862
{n tyr 45}P 17.663 -3.133 -14.290
{h tyr 45}17.103 -2.765 -13.547
{n glu 46}P 19.690 -4.473 -13.231
{h glu 46}18.757 -4.649 -12.916
{n gly 47}P 20.109 -6.739 -14.748
{h gly 47}19.246 -6.253 -14.887
{n phe 48}P 18.829 -9.348 -14.770
{h phe 48}18.280 -8.576 -14.450
{ca phe 48}P 18.232 -10.675 -14.503
{ha phe 48}18.949 -11.255 -13.903
{n asp 53}P 9.932 -11.688 -21.774
{h asp 53}9.310 -12.152 -22.404
{ca gly 54}P 9.367 -7.011 -20.513
{1ha gly 54}8.862 -7.363 -19.601
{n gln 57}P 6.475 -5.424 -14.232
{h gln 57}6.400 -6.415 -14.342
{ca gln 57}P 5.774 -4.954 -13.035
{ha gln 57}6.028 -3.889 -12.928
{n glu 58}P 6.459 -5.129 -10.702
{h glu 58}6.371 -4.137 -10.612
{n asn 81}P 5.214 -9.647 -16.470
{h asn 81}4.869 -10.560 -16.686
{ca asn 81}P 5.307 -8.727 -17.619
{ha asn 81}6.022 -7.925 -17.382
{n thr 82}P 3.742 -7.308 -18.799
{h thr 82}4.484 -7.082 -19.430
{n asn 83}P 1.734 -8.699 -19.883
{h asn 83}2.673 -9.037 -19.812
{ca asn 83}P 0.769 -9.710 -20.319
{ha asn 83}-0.165 -9.212 -20.619
{n cys 84}P 0.964 -10.323 -17.994
{h cys 84}1.507 -9.496 -17.845
{ca cys 84}P 0.782 -11.138 -16.802
{ha cys 84}1.257 -10.575 -15.985
{n glu 85}P 2.535 -12.556 -17.682
{h glu 85}2.814 -11.812 -18.290
{ca glu 85}P 3.382 -13.761 -17.769
{ha glu 85}2.757 -14.666 -17.765
{n asn 107}P 17.587 -16.166 -12.049
{h asn 107}17.108 -16.312 -12.915
{ca asn 107}P 19.033 -15.822 -12.160
{ha asn 107}19.368 -15.380 -11.210
@subgroup {other sc} dominant
@vectorlist {sc} color= cyan
{ca ala 22}P -3.006 -10.248 -7.564
{cb ala 22}-2.613 -10.284 -6.106
{ca asp 31}P -5.061 0.451 -9.342
{cb asp 31}-6.239 -0.405 -8.809
{cg asp 31}-7.583 0.272 -8.957
{od1 asp 31}-7.687 1.496 -9.091
{cg asp 31}P -7.583 0.272 -8.957
{od2 asp 31}-8.569 -0.516 -8.897
{ca pro 39}P 2.303 -2.871 -8.559
{cb pro 39}1.806 -3.979 -9.493
{cg pro 39}0.307 -3.736 -9.589
{cd pro 39}-0.131 -2.985 -8.360
{n pro 39}P 1.122 -2.551 -7.749
{cd pro 39}-0.131 -2.985 -8.360
{ca phe 48}P 18.232 -10.675 -14.503
{cb phe 48}16.927 -10.668 -13.676
{cg phe 48}17.162 -10.380 -12.213
{cd1 phe 48}17.579 -11.403 -11.356
{ce1 phe 48}17.824 -11.114 -10.014
{cz phe 48}17.678 -9.807 -9.547
{cg phe 48}P 17.162 -10.380 -12.213
{cd2 phe 48}16.962 -9.080 -11.719
{ce2 phe 48}17.223 -8.762 -10.378
{cz phe 48}17.678 -9.807 -9.547
{ca phe 50}P 14.085 -13.531 -17.042
{cb phe 50}13.075 -12.403 -16.851
{cg phe 50}13.190 -11.611 -15.603
{cd1 phe 50}13.126 -12.248 -14.360
{ce1 phe 50}13.249 -11.509 -13.190
{cz phe 50}13.425 -10.119 -13.296
{cg phe 50}P 13.190 -11.611 -15.603
{cd2 phe 50}13.381 -10.236 -15.694
{ce2 phe 50}13.485 -9.450 -14.533
{cz phe 50}13.425 -10.119 -13.296
{ca ile 80}P 5.357 -10.235 -14.092
{cb ile 80}3.827 -10.326 -13.711
{cg1 ile 80}3.270 -8.916 -13.333
{cd1 ile 80}1.701 -8.808 -13.319
{cb ile 80}P 3.827 -10.326 -13.711
{cg2 ile 80}3.482 -11.375 -12.623
{ca glu 85}P 3.382 -13.761 -17.769
{cb glu 85}4.193 -13.851 -19.038
{cg glu 85}3.571 -14.173 -20.371
{cd glu 85}4.144 -13.757 -21.665
{oe1 glu 85}3.573 -13.873 -22.745
{cd glu 85}P 4.144 -13.757 -21.665
{oe2 glu 85}5.264 -13.234 -21.720
@vectorlist {sc H} color= gray lens
{cb ala 22}P -2.613 -10.284 -6.106
{1hb ala 22}-2.905 -9.339 -5.624
{cb ala 22}P -2.613 -10.284 -6.106
{2hb ala 22}-3.123 -11.122 -5.609
{cb ala 22}P -2.613 -10.284 -6.106
{3hb ala 22}-1.524 -10.417 -6.022
{cb asp 31}P -6.239 -0.405 -8.809
{1hb asp 31}-6.258 -1.365 -9.346
{cb asp 31}P -6.239 -0.405 -8.809
{2hb asp 31}-6.066 -0.634 -7.747
{cb pro 39}P 1.806 -3.979 -9.493
{1hb pro 39}2.288 -3.920 -10.480
{cb pro 39}P 1.806 -3.979 -9.493
{2hb pro 39}2.027 -4.977 -9.087
{cg pro 39}P 0.307 -3.736 -9.589
{1hg pro 39}0.070 -3.159 -10.495
{cg pro 39}P 0.307 -3.736 -9.589
{2hg pro 39}-0.232 -4.692 -9.666
{cd pro 39}P -0.131 -2.985 -8.360
{1hd pro 39}-0.772 -2.129 -8.618
{cd pro 39}P -0.131 -2.985 -8.360
{2hd pro 39}-0.710 -3.627 -7.680
{cb phe 48}P 16.927 -10.668 -13.676
{1hb phe 48}16.242 -9.913 -14.088
{cb phe 48}P 16.927 -10.668 -13.676
{2hb phe 48}16.429 -11.644 -13.777
{cd1 phe 48}P 17.579 -11.403 -11.356
{hd1 phe 48}17.713 -12.426 -11.737
{cd2 phe 48}P 16.962 -9.080 -11.719
{hd2 phe 48}16.594 -8.296 -12.397
{ce1 phe 48}P 17.824 -11.114 -10.014
{he1 phe 48}18.132 -11.914 -9.325
{ce2 phe 48}P 17.223 -8.762 -10.378
{he2 phe 48}17.079 -7.742 -9.991
{cz phe 48}P 17.678 -9.807 -9.547
{hz phe 48}17.925 -9.585 -8.498
{cb phe 50}P 13.075 -12.403 -16.851
{1hb phe 50}13.164 -11.714 -17.704
{cb phe 50}P 13.075 -12.403 -16.851
{2hb phe 50}12.065 -12.836 -16.891
{cd2 phe 50}P 13.381 -10.236 -15.694
{hd2 phe 50}13.451 -9.760 -16.683
{ce1 phe 50}P 13.249 -11.509 -13.190
{he1 phe 50}13.210 -11.999 -12.206
{ce2 phe 50}P 13.485 -9.450 -14.533
{he2 phe 50}13.608 -8.358 -14.589
{cz phe 50}P 13.425 -10.119 -13.296
{hz phe 50}13.520 -9.528 -12.373
{cb ile 80}P 3.827 -10.326 -13.711
{hb ile 80}3.324 -10.692 -14.618
{cg1 ile 80}P 3.270 -8.916 -13.333
{1hg1 ile 80}3.651 -8.642 -12.338
{cg1 ile 80}P 3.270 -8.916 -13.333
{2hg1 ile 80}3.668 -8.178 -14.045
{cg2 ile 80}P 3.482 -11.375 -12.623
{1hg2 ile 80}2.399 -11.361 -12.430
{cg2 ile 80}P 3.482 -11.375 -12.623
{2hg2 ile 80}3.779 -12.376 -12.970
{cg2 ile 80}P 3.482 -11.375 -12.623
{3hg2 ile 80}4.023 -11.134 -11.696
{cd1 ile 80}P 1.701 -8.808 -13.319
{1hd1 ile 80}1.406 -7.785 -13.044
{cd1 ile 80}P 1.701 -8.808 -13.319
{2hd1 ile 80}1.308 -9.046 -14.318
{cd1 ile 80}P 1.701 -8.808 -13.319
{3hd1 ile 80}1.291 -9.517 -12.585
{cb glu 85}P 4.193 -13.851 -19.038
{1hb glu 85}4.705 -12.884 -19.154
{cb glu 85}P 4.193 -13.851 -19.038
{2hb glu 85}4.971 -14.608 -18.862
{cg glu 85}P 3.571 -14.173 -20.371
{1hg glu 85}3.480 -15.268 -20.412
{cg glu 85}P 3.571 -14.173 -20.371
{2hg glu 85}2.550 -13.766 -20.341
@subgroup {water} dominant
@balllist {water O} color= pink radius= 0.150 lens
{o hoh 114}21.617 -15.118 -9.408
{o hoh 115}3.836 1.406 -13.090
{o hoh 126}-4.608 -13.685 -5.847
{o hoh 129}18.882 -17.670 -7.664
{o hoh 130}13.521 -3.721 -17.998
{o hoh 132}18.762 -20.289 -8.559
{o hoh 134}15.227 -6.753 -19.273
{o hoh 137}9.668 -20.132 4.970
{o hoh 152}17.481 -5.451 -12.167
{o hoh 163}1.530 -16.088 0.504
{o hoh 171}9.994 -23.659 -1.148
{o hoh 183}1.060 -0.542 -12.642
{o hoh 188}3.990 -20.159 4.754
{o hoh 197}7.083 -13.118 -23.574
{o hoh 206}-7.171 -6.484 -7.672
@group {N/Q good} animate
@subgroup {Asn/Gln} dominant
@balllist {sc N} color= sky radius= 0.100
{nd2 asn 10}11.639 -23.339 3.160
{ne2 gln 15}2.343 -19.121 1.678
{nd2 asn 21}-5.597 -13.458 -8.949
{ne2 gln 25}-6.459 -11.393 -12.467
{nd2 asn 29}-8.624 -5.293 -12.170
{nd2 asn 44}16.456 -7.896 -16.667
{ne2 gln 57}3.977 -1.652 -14.537
{nd2 asn 81}5.791 -11.034 -20.512
{nd2 asn 83}-0.217 -9.476 -23.083
{nd2 asn 107}18.969 -19.034 -11.199
@balllist {sc O} color= red radius= 0.100
{od1 asn 10}12.432 -22.241 1.284
{oe1 gln 15}3.885 -20.186 0.411
{od1 asn 21}-5.222 -13.661 -11.175
{oe1 gln 25}-8.045 -9.778 -12.470
{od1 asn 29}-10.001 -3.613 -12.830
{od1 asn 44}17.038 -7.221 -14.573
{oe1 gln 57}2.981 -2.399 -12.668
{od1 asn 81}3.912 -10.474 -19.340
{od1 asn 83}2.043 -9.077 -23.344
{od1 asn 107}20.584 -17.834 -10.229
@vectorlist {sc} color= sea
{ca asn 10}P 10.044 -20.569 1.409
{cb asn 10}10.107 -22.028 1.874
{cg asn 10}11.530 -22.540 2.075
{od1 asn 10}12.432 -22.241 1.284
{cg asn 10}P 11.530 -22.540 2.075
{nd2 asn 10}11.639 -23.339 3.160
{ca gln 15}P 1.689 -18.742 -3.001
{cb gln 15}2.544 -18.750 -1.745
{cg gln 15}1.817 -19.523 -0.618
{cd gln 15}2.780 -19.643 0.542
{oe1 gln 15}3.885 -20.186 0.411
{cd gln 15}P 2.780 -19.643 0.542
{ne2 gln 15}2.343 -19.121 1.678
{ca asn 21}P -2.429 -13.123 -9.982
{cb asn 21}-3.391 -14.260 -9.657
{cg asn 21}-4.821 -13.795 -9.975
{od1 asn 21}-5.222 -13.661 -11.175
{cg asn 21}P -4.821 -13.795 -9.975
{nd2 asn 21}-5.597 -13.458 -8.949
{ca gln 25}P -5.467 -7.870 -11.323
{cb gln 25}-6.310 -8.507 -10.244
{cg gln 25}-6.666 -9.964 -10.492
{cd gln 25}-7.125 -10.370 -11.879
{oe1 gln 25}-8.045 -9.778 -12.470
{cd gln 25}P -7.125 -10.370 -11.879
{ne2 gln 25}-6.459 -11.393 -12.467
{ca asn 29}P -7.379 -2.306 -13.188
{cb asn 29}-7.964 -2.900 -11.880
{cg asn 29}-8.930 -4.016 -12.301
{od1 asn 29}-10.001 -3.613 -12.830
{cg asn 29}P -8.930 -4.016 -12.301
{nd2 asn 29}-8.624 -5.293 -12.170
{ca asn 44}P 15.885 -4.688 -14.885
{cb asn 44}15.462 -5.869 -15.783
{cg asn 44}16.393 -7.066 -15.628
{od1 asn 44}17.038 -7.221 -14.573
{cg asn 44}P 16.393 -7.066 -15.628
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{"} sea -8.551 -0.795 -11.782
{"} green -7.709 -1.123 -11.559
{"} green -7.994 -1.042 -11.556
{"} green -8.244 -0.885 -11.549
{"} sea -7.795 -0.892 -11.353
{O ASN44} sea 17.472 -5.771 -16.457
{"} sea 17.220 -5.612 -16.450
{"} sea 17.834 -5.959 -16.178
{"} green 17.544 -5.880 -16.175
{"} green 17.277 -5.741 -16.169
{"} sea 17.825 -5.970 -15.886
{"} green 17.535 -5.890 -15.882
{"} green 17.763 -5.909 -15.597
{"} green 17.481 -5.812 -15.592
{O ASP53} green 7.431 -10.608 -21.377
{"} green 6.930 -9.615 -20.467
{"} green 6.961 -9.319 -20.454
{"} sea 7.057 -9.037 -20.442
{"} sea 7.214 -8.784 -20.431
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{"} green 7.280 -8.906 -20.169
{"} green 7.265 -9.930 -19.976
{"} green 7.381 -9.074 -19.939
{"} sea 7.573 -8.849 -19.929
{"} sea 7.561 -10.069 -19.786
{"} green 7.452 -9.787 -19.774
{"} green 7.561 -9.204 -19.749
{"} sea 7.773 -9.935 -19.634
{"} green 7.692 -9.652 -19.622
{"} sea 7.763 -9.367 -19.609
{"} sea 7.970 -9.647 -19.531
{O PRO55} sea 6.834 -7.192 -19.490
{"} green 6.530 -7.175 -19.489
{"} sea 6.241 -7.084 -19.485
{"} green 6.748 -7.325 -19.228
{"} green 6.452 -7.292 -19.227
{"} green 6.170 -7.194 -19.223
{"} sea 6.833 -7.396 -18.945
{"} green 6.532 -7.382 -18.944
{"} green 6.242 -7.303 -18.941
{"} sea 6.523 -7.393 -18.652
{"} sea 6.233 -7.313 -18.648
{OE1 GLN57} green 3.056 -3.794 -12.582
{"} green 3.819 -3.452 -12.281
{"} green 2.991 -3.748 -12.294
{"} sea 3.865 -3.259 -12.005
{"} green 3.631 -3.452 -12.013
{"} green 3.356 -3.582 -12.019
{"} green 3.057 -3.638 -12.021
{"} sea 3.422 -3.381 -11.773
{OD1 ASN81} green 3.419 -10.703 -20.630
{"} green 3.343 -10.418 -20.618
{"} sea 3.419 -10.134 -20.605
{"} green 3.218 -10.866 -20.491
{"} green 3.105 -10.585 -20.479
{"} green 3.101 -10.283 -20.465
{"} sea 3.037 -10.995 -20.300
{"} green 2.914 -10.726 -20.289
{"} green 2.872 -10.433 -20.276
{"} sea 2.914 -10.140 -20.263
{"} sea 2.710 -10.605 -20.046
{O ASN83} sea -0.181 -11.657 -20.742
{"} sea -0.027 -11.905 -20.722
{"} green -0.044 -11.402 -20.700
{"} green 0.110 -11.649 -20.711
{"} green 0.312 -11.947 -20.633
{"} sea 0.104 -12.155 -20.642
{"} green 0.590 -11.957 -20.487
{OE2 GLU85} green 6.165 -12.180 -21.528
{OXT ASN107} sea 20.922 -15.839 -13.598
{"} sea 20.625 -15.890 -13.600
{"} sea 21.192 -15.743 -13.300
{"} green 20.912 -15.855 -13.305
{"} green 21.126 -15.721 -13.013
{"} sea 21.190 -15.561 -12.738
{"} green 20.915 -15.691 -12.744
{"} sea 20.981 -15.490 -12.498
{O HOH114} sea 21.321 -16.396 -9.897
{"} sea 21.039 -16.298 -9.893
{"} sea 21.111 -16.407 -9.611
{O HOH115} green 3.984 0.418 -14.071
{"} green 3.688 0.418 -14.071
{"} green 4.220 0.288 -13.839
{"} green 3.922 0.228 -13.842
{"} green 3.618 0.245 -13.841
{"} sea 3.329 0.336 -13.837
{"} green 4.132 0.128 -13.579
{"} green 3.836 0.095 -13.580
{"} green 3.540 0.128 -13.579
{"} sea 3.921 0.024 -13.297
{"} sea 3.620 0.038 -13.296
{O HOH126} green -4.608 -13.624 -7.246
{"} sea -4.454 -13.872 -7.226
{"} sea -4.471 -13.369 -7.204
{"} sea -4.317 -13.616 -7.215
{"} green -4.893 -14.122 -7.146
{"} green -4.893 -13.137 -7.103
{"} sea -4.608 -13.060 -7.100
{"} green -5.302 -14.077 -6.998
{"} green -5.415 -13.796 -6.986
{"} green -5.419 -13.494 -6.972
{"} green -5.313 -13.211 -6.960
{"} sea -5.112 -12.985 -6.950
{O HOH132} green 18.625 -20.486 -9.938
{"} green 19.526 -19.934 -9.677
{O HOH152} sea 17.265 -6.195 -13.333
{O HOH163} sea 2.211 -16.833 -0.466
{O HOH171} sea 9.306 -22.921 -0.178
{"} green 9.553 -22.758 -0.171
{"} sea 9.837 -22.672 -0.167
{"} sea 10.133 -22.670 -0.167
{"} sea 9.294 -23.276 0.002
{"} green 9.498 -23.052 0.012
{"} green 10.070 -22.890 0.019
{"} sea 10.361 -22.972 0.016
{"} green 9.496 -23.439 0.142
{"} green 10.270 -23.217 0.151
{"} sea 9.703 -23.719 0.220
{"} green 9.848 -23.467 0.231
{"} sea 10.140 -23.467 0.231
{O HOH183} sea 1.950 -1.334 -13.377
{"} green 2.260 -1.100 -13.099
{"} green 2.101 -1.353 -13.110
{"} green 1.890 -1.563 -13.120
{"} sea 1.638 -1.722 -13.127
{"} green 2.328 -1.111 -12.813
{"} green 1.721 -1.760 -12.842
{"} sea 1.442 -1.873 -12.847
{"} green 2.324 -1.132 -12.521
{"} green 1.712 -1.777 -12.549
{"} sea 1.432 -1.889 -12.554
{"} green 2.264 -1.129 -12.235
{"} green 2.107 -1.383 -12.246
{"} green 1.898 -1.595 -12.255
{"} green 1.646 -1.755 -12.262
{"} sea 1.944 -1.402 -11.979
{O HOH206} sea -6.739 -7.389 -8.649
@vectorlist {x} color= red master= {overlaps}
{OG SER12}P  yellowtint 1.851 -21.381 -1.638
{"} yellowtint 1.858 -21.391 -1.639
{"}P  yellowtint 2.117 -21.240 -1.631
{"} yellowtint 2.120 -21.247 -1.633
{"}P  yellowtint 1.794 -21.511 -1.357
{"} yellowtint 1.814 -21.535 -1.368
{"}P  yellow 2.046 -21.351 -1.350
{"} yellow 2.068 -21.396 -1.368
{"}P  yellowtint 2.326 -21.250 -1.345
{"} yellowtint 2.327 -21.254 -1.347
{"}P  yellowtint 1.859 -21.623 -1.094
{"} yellowtint 1.860 -21.624 -1.095
{"}P  yellowtint 2.116 -21.461 -1.087
{"} yellowtint 2.123 -21.476 -1.098
{O ASN21}P  yellow -4.869 -10.967 -10.568
{"} yellow -4.812 -10.968 -10.550
{"}P  yellow -4.836 -10.671 -10.555
{"} yellow -4.759 -10.690 -10.530
{"}P  yellowtint -4.738 -10.390 -10.543
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{"}P  yellow -4.921 -11.140 -10.289
{"} yellow -4.854 -11.132 -10.282
{"}P  yellowtint -4.736 -10.271 -10.251
{"} yellowtint -4.702 -10.291 -10.248
{"}P  yellow -4.922 -11.143 -9.996
{"} yellow -4.869 -11.137 -10.002
{"}P  yellowtint -4.731 -10.275 -9.958
{"} yellowtint -4.714 -10.286 -9.961
{"}P  yellowtint -4.869 -11.014 -9.704
{"} yellowtint -4.859 -11.014 -9.707
{"}P  yellowtint -4.838 -10.718 -9.691
{"} yellowtint -4.807 -10.725 -9.702
{O GLN25}P  yellow -7.226 -5.156 -12.303
{"} yellow -7.170 -5.179 -12.270
{O ASN44}P  yellowtint 17.269 -5.749 -15.876
{"} yellowtint 17.282 -5.728 -15.878
{O ASP53}P  yellowtint 7.058 -9.466 -20.193
{"} yellowtint 7.073 -9.467 -20.202
{"}P  yellowtint 7.134 -9.172 -20.180
{"} yellowtint 7.135 -9.172 -20.181
{"}P  yellowtint 7.221 -9.637 -19.964
{"} yellowtint 7.241 -9.636 -19.982
{"}P  yellowtint 7.260 -9.344 -19.951
{"} yellowtint 7.286 -9.350 -19.976
{"}P  yellowtint 7.452 -9.485 -19.761
{"} yellowtint 7.456 -9.486 -19.767
{OE1 GLN57}P  yellowtint 3.287 -3.713 -12.292
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{O ASN83}P  yellowtint 0.388 -11.662 -20.621
{"} yellowtint 0.380 -11.663 -20.603
{OE2 GLU85}P  yellow 6.087 -12.207 -21.242
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{"}P  yellowtint 6.148 -12.435 -20.984
{"} yellowtint 6.139 -12.444 -20.992
{"}P  yellowtint 5.938 -12.483 -20.750
{"} yellowtint 5.920 -12.503 -20.775
{"}P  yellowtint 5.631 -12.547 -20.556
{"} yellowtint 5.627 -12.554 -20.568
{OXT ASN107}P  yellowtint 20.846 -15.822 -13.017
{"} yellowtint 20.839 -15.794 -13.025
{O HOH171}P  yellowtint 9.769 -22.918 0.018
{"} yellowtint 9.770 -22.921 0.013
{"}P  yellowtint 9.701 -23.227 0.151
{"} yellowtint 9.704 -23.232 0.136
{"}P  yellowtint 9.985 -23.146 0.155
{"} yellowtint 9.985 -23.148 0.149
{O HOH183}P  yellowtint 2.174 -1.370 -12.825
{"} yellowtint 2.141 -1.345 -12.819
{"}P  yellowtint 1.969 -1.590 -12.834
{"} yellowtint 1.938 -1.555 -12.828
{"}P  yellowtint 2.168 -1.390 -12.533
{"} yellowtint 2.130 -1.361 -12.536
{"}P  yellow 1.961 -1.609 -12.542
{"} yellow 1.928 -1.569 -12.546
@vectorlist {x} color= red master= {overlaps}
{O ASN21}P  orange -4.923 -10.839 -10.276
{"} orange -4.791 -10.853 -10.263
{"}P  orange -4.860 -10.545 -10.263
{"} orange -4.744 -10.583 -10.252
{"}P  orange -4.922 -10.842 -9.983
{"} orange -4.808 -10.854 -9.996
{"}P  orange -4.857 -10.548 -9.970
{"} orange -4.761 -10.580 -9.983
{O GLN25}P  hotpink -7.480 -5.476 -11.763
{"} hotpink -7.130 -5.513 -11.728
{OE2 GLU85}P  hotpink 5.254 -11.923 -21.230
{"} hotpink 5.257 -12.264 -21.357
{"}P  orange 5.914 -12.242 -20.976
{"} orange 5.856 -12.331 -21.043
@dotlist {x} color= red master= {H-bonds}
{HG1 THR5} greentint 12.400 -22.646 0.066
{"} greentint 12.296 -22.352 0.078
{"} greentint 12.292 -22.039 0.092
{"} greentint 12.391 -21.742 0.105
{"} greentint 12.581 -21.493 0.116
{"} greentint 12.922 -22.944 0.332
{"} greentint 12.660 -22.769 0.339
{"} greentint 12.485 -22.507 0.351
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{"} greentint 12.660 -21.626 0.389
{"} greentint 12.922 -21.451 0.397
{"} greentint 13.534 -22.711 0.563
{"} greentint 13.242 -22.794 0.560
{"} greentint 12.947 -22.721 0.563
{"} greentint 12.728 -22.509 0.572
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{"} greentint 12.718 -21.922 0.598
{"} greentint 12.930 -21.704 0.607
{"} greentint 13.222 -21.620 0.611
{"} greentint 13.517 -21.694 0.608
{"} greentint 13.387 -22.481 0.715
{"} greentint 13.077 -22.481 0.715
{"} greentint 12.923 -22.213 0.727
{"} greentint 13.077 -21.946 0.739
{"} greentint 13.387 -21.946 0.739
{"} greentint 13.541 -22.213 0.727
{"} greentint 13.232 -22.216 0.776
{OD1 ASN21} greentint -5.903 -12.835 -12.077
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{"} greentint -5.074 -12.591 -12.066
{"} greentint -6.002 -12.703 -11.834
{"} greentint -5.747 -12.539 -11.827
{"} greentint -5.459 -12.442 -11.822
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{"} greentint -5.746 -12.366 -11.265
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{O GLN25} greentint -7.219 -6.047 -12.342
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{"} greentint -7.479 -5.780 -11.483
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{"} greentint -7.299 -5.073 -11.166
{"} greentint -7.298 -5.805 -10.930
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{O PHE48} greentint 16.795 -9.333 -17.174
{"} greentint 17.077 -9.234 -17.170
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{"} greentint 16.584 -9.398 -16.890
{"} greentint 16.849 -9.255 -16.884
{"} greentint 17.138 -9.173 -16.880
{"} greentint 17.439 -9.154 -16.880
{"} greentint 17.736 -9.201 -16.882
{"} greentint 16.592 -9.405 -16.598
{"} greentint 16.858 -9.264 -16.591
{"} greentint 17.148 -9.184 -16.588
{"} greentint 17.448 -9.167 -16.587
{"} greentint 17.745 -9.216 -16.589
{"} greentint 16.787 -9.375 -16.310
{"} greentint 17.067 -9.274 -16.305
{"} greentint 17.363 -9.239 -16.304
{"} greentint 17.660 -9.270 -16.305
{"} greentint 16.857 -9.485 -16.047
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{O ASP53} greentint 7.220 -10.398 -21.367
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{"} greentint 7.746 -10.886 -20.809
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{"} greentint 7.250 -10.550 -20.795
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{OE2 GLU85} greentint 4.740 -11.939 -21.810
{"} greentint 5.029 -11.857 -21.806
{"} greentint 5.330 -11.838 -21.806
{"} greentint 5.627 -11.885 -21.808
{"} greentint 4.749 -11.948 -21.517
{"} greentint 5.039 -11.868 -21.514
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{"} greentint 5.636 -11.900 -21.515
{"} greentint 5.916 -12.011 -21.520
{"} greentint 4.678 -12.059 -21.236
{"} greentint 4.958 -11.958 -21.231
{"} greentint 5.551 -11.954 -21.231
{"} greentint 5.833 -12.050 -21.235
{"} greentint 4.748 -12.169 -20.973
{"} greentint 5.037 -12.075 -20.969
{"} greentint 5.340 -12.056 -20.968
{"} greentint 5.639 -12.113 -20.970
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{"} greentint 5.688 -12.325 -20.743
{"} greentint 5.039 -12.493 -20.554
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{H? HOH114} greentint 21.275 -16.800 -10.302
{"} greentint 20.965 -16.739 -10.300
{"} greentint 20.703 -16.563 -10.292
{"} greentint 21.518 -16.923 -10.029
{"} greentint 21.206 -16.952 -10.030
{"} greentint 20.902 -16.878 -10.027
{"} greentint 20.638 -16.710 -10.019
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{"} greentint 21.350 -17.014 -9.723
{"} greentint 21.052 -16.991 -9.722
{"} greentint 20.775 -16.883 -9.718
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{"} greentint 21.206 -16.979 -9.413
{"} greentint 20.902 -16.905 -9.409
{"} greentint 20.638 -16.737 -9.402
{O HOH126} greentint -4.745 -13.882 -7.226
{"} greentint -4.899 -13.635 -7.216
{"} greentint -4.762 -13.378 -7.204
{"} greentint -5.101 -13.914 -7.137
{"} greentint -5.177 -13.629 -7.125
{"} greentint -5.101 -13.345 -7.112
{H? HOH129} greentint 19.434 -17.680 -9.495
{"} greentint 19.589 -17.949 -9.458
{"} greentint 19.589 -17.414 -9.435
{"} greentint 19.743 -17.682 -9.446
{"} greentint 19.948 -17.973 -9.317
{"} greentint 19.736 -18.192 -9.326
{"} greentint 19.938 -17.386 -9.291
{"} greentint 20.022 -17.678 -9.304
{"} greentint 20.182 -18.007 -9.097
{"} greentint 20.006 -18.269 -9.108
{"} greentint 20.182 -17.388 -9.070
{"} greentint 20.243 -17.698 -9.083
{O HOH132} greentint 18.762 -20.228 -9.958
{"} greentint 18.916 -20.476 -9.938
{"} greentint 18.471 -20.239 -9.928
{"} greentint 18.608 -19.982 -9.916
{"} greentint 18.899 -19.973 -9.916
{"} greentint 19.053 -20.220 -9.927
{"} greentint 18.269 -19.949 -9.824
{"} greentint 18.477 -19.741 -9.815
{"} greentint 18.762 -19.664 -9.812
{"} greentint 19.047 -19.741 -9.815
{"} greentint 19.255 -19.949 -9.824
{"} greentint 19.331 -20.233 -9.837
{"} greentint 18.258 -19.589 -9.662
{"} greentint 18.528 -19.452 -9.656
{"} greentint 18.828 -19.420 -9.655
{"} greentint 19.120 -19.499 -9.658
{"} greentint 19.364 -19.679 -9.666
{H? HOH152} greentint 17.489 -6.263 -13.926
{"} greentint 17.180 -6.263 -13.926
{"} greentint 17.025 -5.996 -13.914
{"} greentint 17.637 -6.505 -13.794
{"} greentint 17.344 -6.589 -13.798
{"} greentint 17.049 -6.515 -13.794
{"} greentint 16.830 -6.304 -13.785
{"} greentint 17.644 -6.758 -13.584
{"} greentint 17.334 -6.820 -13.586
{"} greentint 17.025 -6.758 -13.584
{"} greentint 16.762 -6.583 -13.576
{"} greentint 17.577 -6.942 -13.313
{"} greentint 17.266 -6.971 -13.314
{"} greentint 16.961 -6.898 -13.311
{H? HOH183} greentint 2.293 -1.487 -13.472
{"} greentint 2.081 -1.705 -13.482
{"} greentint 2.089 -1.958 -13.272
{"} greentint 1.779 -2.020 -13.274
{"} greentint 2.588 -1.211 -13.239
{"} greentint 2.022 -2.142 -13.001
{"} greentint 1.710 -2.171 -13.002
{"} greentint 2.730 -1.214 -12.960
{"} greentint 2.735 -1.531 -12.665
{"} greentint 2.144 -2.167 -12.692
{"} greentint 1.854 -2.233 -12.695
{"} greentint 2.779 -1.237 -12.652
{"} greentint 2.682 -1.550 -12.356
{"} greentint 2.536 -1.826 -12.368
{"} greentint 2.307 -2.040 -12.377
{"} greentint 2.022 -2.169 -12.383
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{"}P  orange -3.883 -7.054 -14.675
{"} orange -3.855 -7.059 -14.543
{"}P  orange -3.746 -6.797 -14.663
{"} orange -3.733 -6.822 -14.553
{OE2 GLU85}P  orange 5.551 -11.954 -21.231
{"} orange 5.530 -12.049 -21.267
{"}P  orange 5.639 -12.113 -20.970
{"} orange 5.609 -12.200 -21.029
{O HOH183}P  orange 2.174 -1.370 -12.825
{"} orange 2.082 -1.301 -12.809
{"}P  orange 1.969 -1.590 -12.834
{"} orange 1.890 -1.499 -12.818
{"}P  orange 1.961 -1.609 -12.542
{"} orange 1.880 -1.512 -12.551
@dotlist {x} color= red master= {H-bonds}
{OG1 THR5} greentint 12.508 -21.891 -0.380
{"} greentint 12.584 -21.597 -0.367
{"} greentint 12.671 -22.062 -0.151
{"} greentint 12.710 -21.769 -0.138
{"} greentint 12.831 -21.499 -0.126
{"} greentint 13.011 -21.629 0.064
{OE1 GLN25} greentint -6.153 -12.707 -12.091
{"} greentint -6.449 -12.742 -12.093
{"} greentint -6.084 -12.576 -11.818
{"} greentint -6.383 -12.632 -11.820
{"} greentint -6.686 -12.613 -11.820
{"} greentint -6.018 -12.375 -11.572
{"} greentint -6.302 -12.461 -11.576
{"} greentint -6.598 -12.464 -11.576
{O ASN81} greentint 2.829 -9.539 -18.049
{"} greentint 3.063 -9.729 -17.820
{O HOH114} greentint 21.703 -16.296 -10.160
{"} greentint 21.399 -16.279 -10.159
{"} greentint 21.110 -16.188 -10.155
{"} greentint 21.617 -16.429 -9.898
{"} greentint 21.321 -16.396 -9.897
{"} greentint 21.039 -16.298 -9.893
{"} greentint 21.702 -16.500 -9.615
{"} greentint 21.401 -16.486 -9.614
{"} greentint 21.111 -16.407 -9.611
{H? HOH126} greentint -4.911 -13.572 -7.796
{"} greentint -5.066 -13.841 -7.759
{"} greentint -5.220 -13.574 -7.748
{"} greentint -5.066 -13.307 -7.736
{"} greentint -5.499 -13.590 -7.606
{"} greentint -5.425 -13.295 -7.593
{H? HOH132} greentint 18.833 -19.817 -10.459
{"} greentint 18.987 -20.087 -10.422
{"} greentint 18.678 -20.087 -10.422
{"} greentint 18.524 -19.819 -10.410
{"} greentint 18.678 -19.552 -10.398
{"} greentint 18.987 -19.552 -10.398
{"} greentint 19.142 -19.819 -10.410
{"} greentint 18.319 -19.540 -10.256
{"} greentint 18.530 -19.322 -10.246
{"} greentint 18.823 -19.238 -10.243
{"} greentint 19.118 -19.312 -10.246
{"} greentint 19.337 -19.523 -10.255
{"} greentint 19.420 -19.816 -10.268
{"} greentint 18.261 -19.264 -10.022
{"} greentint 18.523 -19.088 -10.015
{"} greentint 18.833 -19.027 -10.012
{"} greentint 19.142 -19.088 -10.015
{"} greentint 19.405 -19.264 -10.022
{O HOH152} greentint 17.481 -5.964 -13.470
{"} greentint 17.196 -5.888 -13.466
{"} greentint 16.988 -5.680 -13.457
{"} greentint 17.567 -6.219 -13.334
{"} greentint 17.265 -6.195 -13.333
{"} greentint 16.993 -6.063 -13.327
{"} greentint 16.787 -5.843 -13.318
{"} greentint 17.629 -6.439 -13.148
{"} greentint 17.333 -6.439 -13.148
{"} greentint 17.049 -6.356 -13.144
{"} greentint 16.800 -6.196 -13.137
{"} greentint 16.606 -5.972 -13.127
{"} greentint 17.263 -6.612 -12.918
{"} greentint 16.974 -6.521 -12.914
{"} greentint 16.716 -6.360 -12.907
{O HOH183} greentint 2.260 -1.100 -13.099
{"} greentint 2.422 -0.825 -12.801
{"} greentint 2.328 -1.111 -12.813
{"} greentint 2.420 -0.847 -12.509
{"} greentint 2.324 -1.132 -12.521
{"} greentint 2.168 -1.390 -12.533
{"} greentint 2.452 -0.548 -12.496
{"} greentint 2.360 -0.848 -12.222
{"} greentint 2.264 -1.129 -12.235
{"} greentint 2.107 -1.383 -12.246
{"} greentint 2.234 -0.874 -11.956
{"} greentint 2.122 -1.156 -11.968
{"} greentint 1.944 -1.402 -11.979
@dotlist {x} color= yellow master= {contacts} lens
{SG CYS24} blue -3.871 -9.415 -16.271
{"} blue -3.651 -9.210 -16.262
{"} blue -4.210 -9.555 -16.075
{"} sky -4.054 -9.303 -16.064
{"} sky -3.846 -9.092 -16.055
{"} blue -3.596 -8.933 -16.048
{"} blue -4.491 -9.837 -15.853
{"} blue -4.405 -9.555 -15.840
{"} sky -4.266 -9.295 -15.829
{"} sky -4.079 -9.067 -15.819
{"} sky -3.850 -8.879 -15.811
{"} blue -4.604 -9.713 -15.586
{"} sky -4.502 -9.436 -15.574
{"} blue -4.352 -9.182 -15.562
{"} sky -4.159 -8.959 -15.553
{"} blue -3.929 -8.773 -15.545
{"} blue -3.670 -8.632 -15.538
{"} blue -3.389 -8.539 -15.534
{"} blue -4.702 -9.715 -15.304
{"} sky -4.603 -9.437 -15.292
{"} blue -4.459 -9.179 -15.281
{"} blue -3.799 -8.598 -15.255
{"} blue -3.524 -8.488 -15.251
{"} blue -3.235 -8.426 -15.248
{"} blue -3.463 -8.433 -14.955

@kinemage 6
@caption
Phi,Psi,Chi1 plot for 1587 phenylalanines from 240 proteins. The phi axis is in bluetint, the Psi axis in yellowtint, and the Chi1 axis in pinktint. Rotate the image, and try different Views, to see correlations among the variables, and turn on "XYZ point" to see the phi, psi, chi values as well as the pointID of each point picked. See text window for a further explanation.
@onewidth
@viewid {phi psi}
@zoom 1.00
@zslab 300
@ztran 0
@center 0. 0. -32.450
@matrix
1.000 0.000 0.000 0.000 1.000 0.000 0.000 0.000 1.000
@2viewid {phi chi}
@2zoom 1.00
@2zslab 180
@2center 0. 2.5 -32.5
@2matrix
1.000 0.000 0.000 0.000 0.000 1.000 0.000 -1.000 0.000
@3viewid {chi psi}
@3zoom 1.00
@3zslab 180
@3ztran 0
@3center 0. 0. -32.450
@3matrix
0.000 -0.000 -1.000 0.000 1.000 0.000 1.000 0.000 0.000
@group {axes}
@subgroup {} nobutton
@vectorlist {Phi axis} color= bluetint
{-Phi axis}P -180. 0. 0.
-120. 0. 0.
-60. 0. 0.
0. 0. 0.
60. 0. 0.
120. 0. 0.
{+Phi axis}180. 0. 0.
@vectorlist {Psi axis} color= yellowtint
{-Psi axis}P 0. -180. 0.
0. -120. 0.
0. -60. 0.
0. 0. 0.
0. 60. 0.
0. 120. 0.
{+Psi axis}0. 180. 0.
@vectorlist {Chi1 axis} color= pinktint
{-Chi1 axis}P 0. 0. -200.
0. 0. -120.
0. 0. -60.
0. 0. 0.
0. 0. 60.
0. 0. 120.
{+Chi1 axis}0. 0. 140.
P 0. 4. -180.
0. -4. -180.
P 4. 0. -180.
-4. 0. -180.
P 0. 4. -60.
0. -4. -60.
P 4. 0. -60.
-4. 0. -60.
P 0. 4. 60.
0. -4. 60.
P 4. 0. 60.
-4. 0. 60.
@labellist {axis labels} color= gray
{Phi -180}-180. 0. 0.
{Phi +180}180. 0. 0.
{Psi -180}0. -180. 0.
{Psi +180}0. 180. 0.
{Chi1 -180}0. 0. -180.
@group {Phe fisiki}
@subgroup {} nobutton
@dotlist {chi1 -60} color= sea
{1a2pAH A 7 PHE}-56. -49.1 -74.
{1a2pAH A 82 PHE}-64.8 154.7 -71.4
{1a2pAH A 106 PHE}-132.4 148.9 -62.3
{1a62H 50 PHE}-119.6 164.4 -50.5
{1a62H 111 PHE}-73.5 147.9 -95.3
{1a62H 121 PHE}59.8 15.3 -32.4
{1a8uAH A 2 PHE}-140.2 149. -66.5
{1a8uAH A 61 PHE}-125.2 157.9 -62.8
{1a8uAH A 76 PHE}-55.6 -41.8 -64.1
{1a8uAH A 121 PHE}-120.2 107.6 -54.6
{1a8uAH A 145 PHE}-72.6 -32.6 -62.6
{1a8uAH A 164 PHE}-73.7 -27.7 -75.3
{1a8uAH A 209 PHE}-107.8 11.8 -60.2
{1aacH 57 PHE}-108.5 126.4 -62.5
{1aacH 82 PHE}-90.5 129.1 -72.8
{1aapAH A 34 PHE}-101.9 129.6 -78.4
{1aapAH A 45 PHE}-128.6 149.4 -55.6
{1aayH A 116 PHE}-133.4 156.9 -57.
{1aayH A 144 PHE}-134.7 151.6 -62.4
{1aayH A 163 PHE}-111.7 117.5 -48.2
{1aayH A 172 PHE}-140.1 155.2 -59.2
{1ab9H B 89 PHE}-111.4 95.1 -69.8
{1ab9H B 114 PHE}-70.5 143.5 -77.3
{1ab9H B 130 PHE}-123. 96.5 -64.9
{1abaH 2 PHE}-73.4 150.9 -77.
{1abaH 43 PHE}-87.1 148.7 -75.4
{1abaH 69 PHE}-122.5 138.8 -66.2
{1abaH 86 PHE}-86.3 -1.5 -72.7
{1adsH 115 PHE}-113.7 156.4 -58.6
{1adsH 121 PHE}-68.7 -29.8 -67.5
{1adsH 122 PHE}-125.4 85.1 -73.9
{1adsH 161 PHE}-94.2 132.4 -83.5
{1adsH 276 PHE}-96.3 -8.8 -59.9
{1adsH 311 PHE}-105.1 22.3 -54.7
{1agiH 46 PHE}-103.3 129.8 -70.7
{1agjAH A 23 PHE}-68.2 -25.3 -73.6
{1agjAH A 76 PHE}-59.2 -24.8 -77.1
{1agjAH A 115 PHE}-103.7 1.1 -50.5
{1ah7H 66 PHE}56.3 25.7 -58.7
{1ah7H 82 PHE}65.3 8.9 -52.5
{1ah7H 110 PHE}-73.4 -28.9 -72.7
{1ah7H 239 PHE}-64.4 -36.5 -83.5
{1ahtH L 7 PHE}-128.7 -83.6 -67.7
{1ahtH H 60HPHE}-83.4 141.1 -65.7
{1ahtH H 114 PHE}-76.3 161.8 -60.7
{1ahtH H 204APHE}-93.3 -42.2 -52.3
{1ahtH H 227 PHE}-107.7 138. -76.
{1akoH 3 PHE}-118.5 137.9 -65.7
{1akoH 210 PHE}-126.9 165.1 -47.6
{1akoH 213 PHE}-135.5 124.7 -49.2
{1akoH 266 PHE}-116.3 121.1 -56.3
{1akzH 84 PHE}57.8 30.1 -52.
{1akzH 126 PHE}-116.6 34.2 -56.7
{1akzH 158 PHE}67.3 -16.9 -68.3
{1akzH 284 PHE}-74.9 -44.7 -53.5
{1ammH 5 PHE}-100.3 134.5 -60.5
{1ammH 11 PHE}70.5 24.6 -43.8
{1ammH 88 PHE}-96.2 137.4 -72.8
{1ammH 98 PHE}57. 47.8 -60.3
{1ammH 116 PHE}-123.3 1.5 -57.4
{1aoeAH A 110 PHE}-123.4 136.5 -66.4
{1aoeAH A 148 PHE}-138.1 154.2 -59.
{1aoeAH A 182 PHE}-91.4 141.8 -64.3
{1aopH 122 PHE}-107.5 149.9 -65.6
{1aopH 237 PHE}-108. 106. -68.2
{1aopH 249 PHE}-141.7 145.9 -65.9
{1aopH 274 PHE}-102.6 -44.1 -89.4
{1aopH 331 PHE}-69.4 141.6 -74.7
{1aopH 339 PHE}-114.5 147.2 -65.1
{1aopH 390 PHE}-112.6 157.6 -69.2
{1aopH 437 PHE}-62.5 154.3 -62.5
{1aqzAH A 70 PHE}-94. -31.3 -61.5
{1aqzAH A 99 PHE}-134.3 158.4 -55.9
{1ar5AH A 55 PHE}-105.2 29.6 -61.8
{1ar5AH A 103 PHE}-96.4 -8.4 -55.4
{1ar5AH A 104 PHE}-130.3 -10.8 -62.5
{1ar5AH A 143 PHE}-76.4 144.8 -63.3
{1arbH 127 PHE}-84.6 -16.4 -60.6
{1arbH 166 PHE}-97.3 135.2 -59.8
{1aruH 27 PHE}-68.1 -33.7 -75.5
{1aruH 90 PHE}-62.9 144.3 -62.3
{1aruH 114 PHE}-61.7 -39. -71.
{1aruH 172 PHE}-102.5 137.7 -56.9
{1aruH 285 PHE}-138.1 165.3 -63.9
{1awdH 71 PHE}-66.1 144.9 -73.1
{1babABH A 37 PHE}-129.4 76.7 -52.1
{1babABH A 44 PHE}-125.2 44.9 -60.5
{1babABH A 47 PHE}-110.2 152.8 -92.5
{1babABH A 99 PHE}-64. -37.5 -69.2
{1babABH B 41 PHE}-90.3 -10.8 -59.4
{1babABH B 42 PHE}-112.1 22.7 -57.8
{1babABH B 45 PHE}-82.9 -7.7 -75.7
{1babABH B 85 PHE}-104. 8.2 -74.5
{1babABH B 103 PHE}-64.7 -38.4 -51.
{1babABH B 118 PHE}-100.2 -11.4 -70.7
{1bfdH 21 PHE}-99.8 122.3 -63.8
{1bfdH 39 PHE}-100.4 171.4 -87.8
{1bfdH 175 PHE}-49.3 -51.9 -62.8
{1bfdH 278 PHE}-136.5 153.9 -83.1
{1bfdH 359 PHE}-63.9 -42.1 -63.
{1bfdH 450 PHE}-112.4 122.2 -50.9
{1bfdH 483 PHE}-68.5 -26.7 -67.2
{1bgcH 141 PHE}-126.8 99.7 -60.8
{1bkrH A 27 PHE}-113.3 32.5 -79.1
{1bkrH A 37 PHE}-62. -43.1 -69.7
{1bkrH A 67 PHE}-64.4 -44.4 -61.7
{1bkrH A 106 PHE}-74. -26.6 -67.9
{1bpiH 45 PHE}-129.7 143.9 -54.4
{1brtH 2 PHE}-138.6 146.4 -67.5
{1brtH 61 PHE}-130.9 156. -62.6
{1brtH 76 PHE}-61.8 -36.3 -67.6
{1brtH 121 PHE}-122.7 105.9 -59.5
{1brtH 145 PHE}-68.3 -35.2 -60.
{1brtH 164 PHE}-69. -23.6 -75.8
{1brtH 209 PHE}-106.5 15.2 -58.4
{1btkAH A 10 PHE}-129.7 160. -70.
{1btkAH A 30 PHE}-107.9 136.8 -79.8
{1btkAH A 146 PHE}-68.4 155.1 -68.6
{1btyH 82 PHE}-113.8 119.1 -63.2
{1bvcH 33 PHE}-66.5 -31. -64.1
{1bvcH 43 PHE}-113.1 94.6 -61.4
{1bvcH 106 PHE}-55.9 -43.5 -61.7
{1cemH 37 PHE}-68.4 -29.8 -79.9
{1cemH 107 PHE}-96.1 11.8 -79.6
{1cemH 163 PHE}-59.8 -45. -94.
{1cemH 216 PHE}-61.5 117. -62.7
{1cemH 293 PHE}-117.8 -6.5 -61.5
{1cemH 309 PHE}-67.2 -20.8 -73.
{1cemH 336 PHE}-114.5 -14.3 -69.5
{1cexH 63 PHE}-104.7 -12.3 -59.1
{1cexH 102 PHE}-59.7 -41.6 -76.2
{1cexH 147 PHE}-111.5 134.9 -53.2
{1cexH 170 PHE}-111.4 107.7 -63.
{1cilH 20 PHE}-131.7 82.2 -60.
{1cilH 70 PHE}-116.6 152.4 -72.5
{1cilH 95 PHE}-125.7 159.8 -62.1
{1cilH 147 PHE}-84. 145.5 -65.2
{1cilH 226 PHE}-61.1 -38.4 -72.1
{1ckaH A 141 PHE}-148.2 163.2 -69.
{1cnvH 32 PHE}-98.6 119.3 -60.
{1cnvH 80 PHE}-107.8 155.8 -79.6
{1cnvH 109 PHE}-128.7 -20.6 -66.9
{1cnvH 128 PHE}-90. 90.2 -74.1
{1cnvH 181 PHE}-86.6 140.9 -78.3
{1cnvH 188 PHE}-86.7 53.3 -69.6
{1cnvH 223 PHE}-126.1 151.7 -74.
{1cseH E 21 PHE}-128.7 111.5 -61.7
{1cseH E 50 PHE}-111.4 21.6 -63.2
{1cseH I 10 PHE}-123.3 63.4 -50.4
{1cseH I 25 PHE}-63.8 -39.6 -76.3
{1cseH I 36 PHE}-105.6 116.1 -80.2
{1cseH I 55 PHE}-98.7 137.4 -65.
{1ctfH 54 PHE}-123.6 163.6 -57.3
{1cyoH 74 PHE}-111.8 -1.4 -53.7
{1dafH 76 PHE}-122.8 142.9 -64.1
{1dafH 121 PHE}-94.7 22.1 -84.
{1difAH A 53 PHE}-115.8 146.3 -70.4
{1dosAH A 6 PHE}-122.9 -36.2 -64.
{1dosAH A 21 PHE}-65.7 -35. -67.8
{1dosAH A 138 PHE}-115.8 152.8 -87.1
{1dosAH A 261 PHE}-94.3 155.3 -74.6
{1dosAH A 349 PHE}-58.5 -42.3 -83.5
{1ecoH 28 PHE}-61.6 -34.2 -81.5
{1ecoH 38 PHE}-95.1 114.2 -74.2
{1ecoH 41 PHE}-116.7 -14.6 -53.
{1ecoH 129 PHE}-72.8 -33.2 -81.5
{1ecoH 133 PHE}-71.1 -18.8 -80.4
{1edgH 39 PHE}-68.7 -9.7 -66.2
{1edgH 75 PHE}-69.4 140.2 -68.6
{1edgH 156 PHE}-101.1 24.4 -62.9
{1edgH 165 PHE}-106.2 132.2 -69.6
{1edgH 345 PHE}-125.5 23.3 -57.
{1edgH 352 PHE}-106.2 31. -80.3
{1edgH 354 PHE}-128.6 -54.4 -63.6
{1edgH 364 PHE}-127. 65.8 -54.5
{1edgH 376 PHE}-62.1 144.2 -67.3
{1edmBH B 77 PHE}-112.5 150.2 -65.5
{1eltH 89 PHE}-119.5 110.2 -64.8
{1eltH 228 PHE}-121.7 148.4 -56.7
{1ertH 27 PHE}-90.4 115.4 -72.7
{1ertH 79 PHE}-118.1 132.5 -61.8
{1ertH 80 PHE}-131. 146.4 -64.5
{1ezmH 79 PHE}-62.7 -40.3 -67.1
{1ezmH 84 PHE}-68.5 -39. -86.5
{1ezmH 91 PHE}-127.3 -0.8 -55.
{1ezmH 122 PHE}-112.3 125.2 -58.7
{1ezmH 184 PHE}62.3 28.7 -63.6
{1ezmH 251 PHE}-77.4 -35. -82.6
{1ezmH 290 PHE}-71.1 -40.3 -80.8
{1fdrH 97 PHE}-124.2 18.3 -66.3
{1fdrH 134 PHE}-108.4 136.3 -55.7
{1fdsH 30 PHE}-112.4 140.1 -57.1
{1fdsH 125 PHE}-105.2 -27.8 -66.7
{1fdsH 151 PHE}71.2 6.3 -62.4
{1fdsH 160 PHE}-63.9 -40.4 -93.9
{1fdsH 176 PHE}-85.3 -9.5 -67.9
{1fdsH 240 PHE}-62.5 -40.9 -77.1
{1fdsH 254 PHE}-113.1 132.9 -65.4
{1fdsH 259 PHE}-96.1 -3.1 -51.4
{1fkjH 99 PHE}-113.8 131.2 -75.5
{1flpH 29 PHE}-58.6 -37. -80.1
{1flpH 33 PHE}-66.3 -34.8 -58.8
{1flpH 47 PHE}-94. 11.5 -68.6
{1flpH 110 PHE}-63.7 -33.7 -81.3
{1fmkH 150 PHE}-108.1 -0.5 -81.6
{1fmkH 220 PHE}-134.1 157.5 -59.9
{1fmkH 405 PHE}-49.7 137.6 -79.5
{1fmkH 439 PHE}-91.5 117.6 -69.6
{1fmkH 509 PHE}-71. -23.7 -78.8
{1fonAH A 78 PHE}-113.2 88.6 -53.3
{1fonAH A 223 PHE}-109.3 147.9 -62.2
{1fonAH A 229 PHE}-128.2 12.7 -59.4
{1frbH 83 PHE}-71.1 -37.1 -79.8
{1frbH 122 PHE}-124.8 69.2 -64.6
{1frbH 161 PHE}-97.5 139.1 -88.6
{1frbH 276 PHE}-112.2 3.8 -66.2
{1frbH 291 PHE}-81.2 -1. -65.7
{1fusH 48 PHE}-66.4 139.1 -74.1
{1fvkAH A 29 PHE}-92.9 -8.2 -86.8
{1fvkAH A 36 PHE}-50.5 -50. -99.6
{1fvkAH A 93 PHE}-60.4 -45.9 -101.1
{1fvkAH A 112 PHE}-66.7 -44.1 -76.4
{1fvkAH A 129 PHE}-75.4 -21.9 -81.7
{1fvkAH A 154 PHE}-119.6 144.6 -61.2
{1fxdH 22 PHE}-127.2 136.8 -51.
{1g3pH 17 PHE}-121.4 152.5 -77.7
{1g3pH 185 PHE}-110.5 19.4 -58.8
{1g3pH 190 PHE}-123.4 25.8 -60.2
{1g3pH 199 PHE}-70.2 131.9 -63.
{1gaiH 109 PHE}-137.8 164.6 -62.3
{1gaiH 227 PHE}-78. -14.8 -69.2
{1gaiH 237 PHE}-91.4 157.3 -81.1
{1gaiH 267 PHE}51.2 45.7 -57.4
{1gaiH 285 PHE}-102.6 -4.8 -62.4
{1gaiH 318 PHE}-60.6 -44.9 -75.3
{1gaiH 351 PHE}-69.1 -42. -68.6
{1gcaH 89 PHE}-77.3 142.8 -68.8
{1gcaH 233 PHE}-116.2 141.5 -66.6
{1gcaH 306 PHE}-133. -26.6 -61.8
{1gdjH 30 PHE}-67.2 -34.9 -85.9
{1gdjH 68 PHE}-63.7 -40. -79.8
{1gofH 338 PHE}-136.8 122.4 -55.2
{1gofH 437 PHE}-120.2 125.5 -63.
{1gofH 441 PHE}67.1 9.3 -58.2
{1gofH 471 PHE}-95.2 -12.5 -72.7
{1gofH 483 PHE}-98.9 144.4 -73.8
{1gofH 523 PHE}-90.3 50.6 -64.9
{1gofH 621 PHE}-119.9 138.3 -73.2
{1gvpH 68 PHE}-104. 150.1 -54.4
{1gvpH 73 PHE}-104.2 19. -61.1
{1hfcH 138 PHE}-64.3 -39.7 -88.5
{1hfcH 149 PHE}-123.6 135.2 -57.6
{1hfcH 163 PHE}-110.3 119.7 -75.8
{1hfcH 185 PHE}-110.8 143. -62.3
{1hfcH 197 PHE}-111.9 132.7 -64.5
{1hfsH 146 PHE}-115.2 128.7 -67.4
{1hfsH 157 PHE}-75.1 165. -82.3
{1hfsH 180 PHE}-113.1 131.6 -64.1
{1hfsH 210 PHE}-105.1 176.7 -79.6
{1hmlH 3 PHE}-81.2 162.7 -56.8
{1hmlH 53 PHE}-94.1 -1.7 -66.9
{1hmlH 80 PHE}-96.4 8.4 -63.
{1hmtH 4 PHE}-78.3 -19.4 -70.
{1hpgH A 46 PHE}-146.7 144.9 -55.5
{1hpmH 44 PHE}-125.6 133.5 -58.8
{1hpmH 114 PHE}-132.2 139. -58.4
{1hpmH 150 PHE}-62. 137.6 -94.9
{1hpmH 217 PHE}-100.5 142.1 -69.8
{1hpmH 310 PHE}-61.7 -54.9 -71.1
{1hpmH 354 PHE}-92. 22.3 -83.4
{1hytH 40 PHE}-127.3 128.9 -57.4
{1hytH 62 PHE}-123.5 67.8 -59.6
{1hytH 63 PHE}-104.4 1.4 -64.8
{1hytH 130 PHE}-145.5 156.7 -74.4
{1hytH 172 PHE}-68.2 -32.1 -76.5
{1hytH 178 PHE}-69.3 -38.7 -89.4
{1hytH 267 PHE}-66.5 -38.2 -85.2
{1hytH 281 PHE}-59.5 -42.1 -77.2
{1hytH 310 PHE}-68.3 -36.7 -80.
{1icmH 47 PHE}-115.7 148.3 -77.7
{1icmH 55 PHE}-82.7 -37.9 -58.7
{1icmH 128 PHE}-112.3 151.4 -58.3
{1idoH 137 PHE}-112.7 135.4 -64.3
{1idoH 171 PHE}-128.3 154. -71.2
{1idoH 180 PHE}-127.3 132.3 -53.3
{1idoH 186 PHE}-61.6 -38.8 -69.4
{1idoH 234 PHE}-74.5 145.9 -69.2
{1idoH 275 PHE}-95.2 11.7 -62.8
{1idoH 297 PHE}-135.8 155.9 -59.9
{1igdH 35 PHE}-69.6 -39.4 -73.6
{1igdH 57 PHE}-102.8 148.4 -68.1
{1irnH 49 PHE}-92.8 155.6 -76.7
{1isuAH A 10 PHE}-103.5 14.1 -63.
{1ixhH 183 PHE}-64.6 -44.5 -108.1
{1ixhH 224 PHE}-65.8 -48.1 -50.6
{1ixhH 237 PHE}-73.3 -22.3 -63.7
{1ixhH 257 PHE}-127.1 152.8 -56.2
{1ixhH 277 PHE}-67.6 -31.6 -74.8
{1jcvH 19 PHE}-129.8 142. -59.7
{1jcvH 50 PHE}-111.9 144.6 -51.8
{1jcvH 67 PHE}-91.3 1.8 -55.6
{1jerH 31 PHE}-108.8 128. -63.2
{1jerH 39 PHE}-108.1 119.6 -73.3
{1jerH 62 PHE}-105.9 22.9 -55.3
{1jerH 87 PHE}-129.6 145.6 -63.8
{1jevH A 44 PHE}-122.1 129.7 -58.7
{1jevH A 69 PHE}61.2 16.9 -52.5
{1jevH A 74 PHE}-107.6 123.1 -61.2
{1jevH A 93 PHE}-67.7 -38. -79.
{1jevH A 175 PHE}-104.1 -7.5 -54.5
{1jevH A 353 PHE}-84.3 135.8 -61.9
{1jevH A 426 PHE}-89.3 -58.9 -89.2
{1jsfH 3 PHE}-73.5 151.8 -79.9
{1jsfH 57 PHE}-104.5 4.8 -61.6
{1kaoH 39 PHE}-105.7 142.4 -71.5
{1kaoH 78 PHE}-131. 135.7 -60.6
{1kaoH 157 PHE}-64.6 -31.6 -71.8
{1kapH P 61 PHE}-107. 115. -56.4
{1kapH P 88 PHE}-61.4 136.7 -100.3
{1kapH P 111 PHE}-92.5 130.4 -70.3
{1kapH P 124 PHE}-130.6 143.5 -61.1
{1kapH P 138 PHE}-120. 138.2 -65.1
{1kapH P 226 PHE}-100.4 10.4 -55.
{1kapH P 261 PHE}-74.6 150. -71.6
{1kapH P 294 PHE}-116.2 35.2 -58.4
{1kapH P 297 PHE}-95.4 149.1 -65.3
{1kapH P 376 PHE}-102.3 110.7 -54.8
{1kapH P 410 PHE}-86.7 -41.7 -60.1
{1kapH P 447 PHE}-80.6 -27.5 -77.6
{1knbH 461 PHE}-127.8 153.6 -53.3
{1knbH 497 PHE}-105.1 -3.5 -70.
{1knbH 554 PHE}-118. 127.1 -61.4
{1kntH 45 PHE}-129.6 155.6 -55.1
{1krnH 127 PHE}-70.4 149.7 -73.
{1kuhH 14 PHE}-119.2 20.2 -70.2
{1lcpAH A 20 PHE}-76.1 165.8 -77.7
{1lcpAH A 54 PHE}-121. 129.2 -55.4
{1lcpAH A 61 PHE}-135.7 81.8 -58.5
{1lcpAH A 160 PHE}-59.4 -47.4 -87.9
{1lcpAH A 201 PHE}-131.2 112.2 -54.3
{1lcpAH A 349 PHE}-88.9 1.7 -61.6
{1lcpAH A 376 PHE}-111. 121. -66.
{1lcpAH A 403 PHE}-115.8 148.6 -67.2
{1lcpAH A 439 PHE}-120. 19.2 -63.7
{1lidH 4 PHE}-96.7 -18.4 -68.1
{1lidH 57 PHE}-77. -44.5 -45.
{1litH 74 PHE}-96.8 -32.9 -65.5
{1litH 124 PHE}60. 29.2 -58.5
{1lkkH A 129 PHE}-121.5 78.2 -73.3
{1lkkH A 163 PHE}-119.2 157.3 -55.6
{1lkkH A 191 PHE}-144. 151.3 -58.5
{1lkkH A 199 PHE}-135.5 149.5 -53.1
{1llpH 18 PHE}-64.1 -37.3 -78.
{1llpH 29 PHE}-95. 18.7 -58.7
{1llpH 74 PHE}-112.6 45.9 -55.9
{1llpH 81 PHE}-69. 136.1 -59.4
{1llpH 97 PHE}-65.5 -34.5 -71.
{1llpH 129 PHE}-114.8 142.8 -78.
{1llpH 164 PHE}-79.4 143. -66.9
{1llpH 193 PHE}-83.1 -22.8 -80.3
{1llpH 205 PHE}-70.4 -33.3 -65.3
{1llpH 210 PHE}-67.5 148.3 -67.5
{1llpH 215 PHE}-103.8 132.1 -70.
{1llpH 254 PHE}-85.4 -16. -73.
{1lt5DH D 48 PHE}-133.5 155.5 -57.9
{1lucH A 3 PHE}-130.1 132.5 -64.9
{1lucH A 36 PHE}-89.5 133.7 -68.4
{1lucH A 46 PHE}55. 14.6 -29.6
{1lucH A 114 PHE}-63.9 -44.5 -69.3
{1lucH A 117 PHE}-81.5 -5.1 -62.1
{1lucH A 139 PHE}-59.7 -42.2 -63.4
{1lucH A 327 PHE}-111.9 2.6 -68.7
{1lucH B 3 PHE}-123.4 143.5 -56.7
{1lucH B 7 PHE}-123.5 121.4 -57.5
{1lucH B 10 PHE}-74.4 137.3 -78.4
{1lucH B 46 PHE}57. 25.8 -39.5
{1lucH B 117 PHE}-87.3 16.5 -67.2
{1lucH B 139 PHE}-51.9 -47.6 -82.6
{1lucH B 150 PHE}-111.5 -36.6 -55.3
{1lucH B 192 PHE}-83.2 133.8 -63.2
{1lucH B 299 PHE}-102.9 5.4 -58.3
{1mfaH 46LPHE}-106.3 131.3 -75.6
{1mfaH 89LPHE}-116.2 133.2 -70.4
{1mfaH 100LPHE}-97. 142.8 -75.5
{1mfaH 309HPHE}-130.5 129.4 -76.3
{1mh1H 169 PHE}-75.5 -35.3 -60.5
{1mlaH 33 PHE}-64. -31.7 -84.3
{1mlaH 120 PHE}-67.5 -36.5 -62.4
{1mlaH 161 PHE}-97.1 94.8 -65.8
{1mlaH 221 PHE}-111.2 136.4 -87.6
{1mofH 79 PHE}-100. 19.9 -79.8
{1molAH A 69 PHE}-120.8 156.4 -63.6
{1mrjH 82 PHE}-126.2 144.9 -69.2
{1mrjH 83 PHE}-62.8 151.7 -76.3
{1mrjH 96 PHE}59. 38.6 -51.
{1mrjH 209 PHE}-68.8 151.1 -72.1
{1mrpH 215 PHE}-102.3 120.7 -54.3
{1mtyBDH B 76 PHE}-76.5 161.2 -73.7
{1mtyBDH B 144 PHE}-69.1 -47.9 -66.
{1mtyBDH B 154 PHE}-69.1 -30.6 -63.9
{1mtyBDH B 181 PHE}-66.8 -35.5 -67.6
{1mtyBDH B 239 PHE}-109. 2. -76.9
{1mtyBDH B 265 PHE}-66.2 -46.7 -68.3
{1mtyBDH B 272 PHE}-116. 25.1 -66.7
{1mtyBDH B 280 PHE}-82. -36.6 -64.2
{1mtyBDH B 309 PHE}-114.7 15.4 -60.
{1mtyBDH B 339 PHE}-59.1 -37.5 -69.8
{1mtyBDH D 35 PHE}-62.9 -33. -72.
{1mtyBDH D 60 PHE}-99.4 115.7 -59.4
{1mtyBDH D 79 PHE}-65. -26.7 -67.7
{1mtyBDH D 109 PHE}-65.7 -43. -81.7
{1mtyBDH D 158 PHE}-69.4 -32.2 -86.
{1mtyBDH D 236 PHE}-62.8 -29.6 -76.2
{1mtyBDH D 290 PHE}-70.5 -60.1 -76.3
{1mtyBDH D 296 PHE}-80.6 132.9 -64.
{1mtyBDH D 408 PHE}-62.1 -42.9 -80.2
{1mtyBDH D 448 PHE}-121.3 149.7 -50.8
{1mtyBDH D 470 PHE}-73.1 -30.1 -57.3
{1myrH 12 PHE}-94.7 157.1 -67.6
{1myrH 25 PHE}-99.4 170.2 -69.7
{1myrH 31 PHE}-123. 133.6 -78.
{1myrH 155 PHE}-74.1 -4.2 -83.1
{1myrH 172 PHE}-60.7 -46. -54.7
{1myrH 175 PHE}-119.9 -16. -51.3
{1myrH 261 PHE}-134.6 133.7 -61.8
{1myrH 281 PHE}-74.7 -27.5 -88.
{1myrH 286 PHE}-103.3 -40.3 -57.4
{1myrH 310 PHE}-93.8 136.5 -65.7
{1myrH 396 PHE}-59.6 -43.2 -86.6
{1myrH 439 PHE}-62.8 -35.8 -87.5
{1myrH 465 PHE}-52.4 129.4 -64.9
{1myrH 469 PHE}-109.1 20.8 -59.8
{1myrH 473 PHE}-116.3 -3.2 -90.9
{1nfpH 10 PHE}-124.5 140.4 -58.
{1nfpH 47 PHE}-121.3 144.2 -73.7
{1nfpH 65 PHE}-86.6 141.9 -65.5
{1nfpH 94 PHE}-86.6 131.7 -61.6
{1nfpH 117 PHE}-85.9 -6.5 -58.1
{1nfpH 131 PHE}-82. 135.5 -97.5
{1nfpH 194 PHE}-131.1 159.8 -56.6
{1nfpH 196 PHE}-105.8 141.4 -55.4
{1nfpH 198 PHE}-96.4 3.3 -61.2
{1nifH 24 PHE}-79.5 162. -54.3
{1nifH 64 PHE}-105.3 116.3 -76.1
{1nifH 99 PHE}-95.5 123.8 -79.
{1nifH 220 PHE}-104.9 140.5 -66.
{1nlsH 130 PHE}-110.4 125.1 -62.9
{1nlsH 133 PHE}-137.2 124. -59.1
{1noaH 52 PHE}-60.7 151.7 -79.4
{1noaH 76 PHE}-124. 139.8 -70.6
{1noaH 78 PHE}-56. -33.3 -72.
{1noaH 112 PHE}-109.9 6.8 -70.9
{1noxH 71 PHE}56. 32.5 -58.8
{1noxH 120 PHE}-87.9 -20. -70.
{1nscAH A 91 PHE}-94.8 153.5 -88.2
{1nscAH A 102 PHE}-117.5 11.4 -53.1
{1nscAH A 171 PHE}-100.1 116.1 -74.1
{1nscAH A 280 PHE}-85.1 122.5 -70.9
{1nwpAH A 15 PHE}-90.3 156.6 -69.5
{1oncH 28 PHE}-104.5 -24.6 -62.9
{1oncH 36 PHE}-112.7 142.2 -61.7
{1oncH 63 PHE}-130.3 160. -73.
{1osaH 12 PHE}-71. -32.9 -72.3
{1osaH 19 PHE}-80.9 -46.3 -72.6
{1pdoH 64 PHE}-90.7 122.2 -73.2
{1phnH A 18 PHE}-72.6 165.9 -74.3
{1phnH A 63 PHE}-119.6 77.2 -59.
{1phnH A 122 PHE}-92.5 4.3 -65.6
{1phnH B 18 PHE}-83. 156.6 -80.5
{1phnH B 60 PHE}-67.8 -26. -55.7
{1phnH B 166 PHE}-64. -44.2 -79.2
{1phpH 22 PHE}-113.2 32.1 -75.7
{1phpH 119 PHE}-72.6 -16.6 -75.9
{1phpH 169 PHE}-67.3 -32.3 -64.6
{1phpH 225 PHE}-70.4 -38.7 -68.6
{1phpH 249 PHE}-62.4 -42.4 -73.4
{1phpH 327 PHE}-114.5 22. -49.7
{1phpH 360 PHE}-77.2 -6.9 -50.1
{1plcH 14 PHE}-85.6 133.4 -68.4
{1plcH 41 PHE}-90.3 131.2 -78.9
{1poaH 64 PHE}-98.8 -42.9 -99.5
{1poaH 100 PHE}-56. -38.5 -66.4
{1ppnH 28 PHE}-51. -50.9 -81.7
{1ppnH 207 PHE}-135. 151.6 -73.6
{1ptfH 6 PHE}-140.9 152.8 -63.
{1ptfH 29 PHE}-106. 156.6 -61.6
{1qoaAH A 3 PHE}-109.4 152.4 -65.3
{1ra9H 103 PHE}-91.8 -18.1 -79.4
{1ra9H 153 PHE}-92.7 136.1 -65.8
{1rcfH 7 PHE}-110.6 113.9 -72.1
{1rcfH 26 PHE}-69.7 -7.9 -99.5
{1rcfH 78 PHE}-96.5 7.7 -67.2
{1rcfH 138 PHE}-80.5 149.8 -76.7
{1rcfH 167 PHE}-92.5 -1.6 -68.5
{1rgeAH A 89 PHE}-136.3 150.6 -63.8
{1rhsH 115 PHE}-58.5 -45.6 -83.9
{1rhsH 118 PHE}-98.2 18.3 -71.8
{1rhsH 215 PHE}-72. -23.4 -67.5
{1rhsH 221 PHE}-91.1 152.7 -64.4
{1rhsH 232 PHE}-63. -43.6 -77.
{1rieH 89 PHE}-130.4 171.5 -56.9
{1rieH 97 PHE}-100.5 130.3 -62.5
{1rieH 153 PHE}-121.3 19.6 -56.7
{1rieH 187 PHE}-91.1 122.8 -64.8
{1rpoH A 58 PHE}-96.4 -21.3 -53.2
{1rroH 30 PHE}-64.8 -33.9 -58.
{1rroH 70 PHE}-88.2 -40.6 -66.8
{1sbpH 99 PHE}-109.7 148.6 -45.
{1sbpH 163 PHE}-66.7 -27.3 -82.8
{1sbpH 208 PHE}-127.5 159. -56.5
{1sbpH 259 PHE}74. 29. -46.8
{1sbpH 287 PHE}-118.2 0.6 -58.5
{1sbpH 298 PHE}-113.2 -9.8 -46.8
{1sgpH E 46 PHE}-140. 146.4 -67.8
{1sgpH I 53 PHE}-86.1 153.6 -61.8
{1sgtH 27 PHE}-128. 70.1 -59.
{1sgtH 136 PHE}-108.3 166.7 -54.4
{1sgtH 234 PHE}-107.2 2.2 -56.5
{1shaH A 7 PHE}-100.7 0.1 -86.3
{1shaH A 69 PHE}-113.9 144.3 -63.6
{1shaH A 77 PHE}-129.1 152.5 -57.4
{1smdH 37 PHE}-80.9 143.8 -72.
{1smdH 194 PHE}-140.7 150.2 -53.8
{1smdH 248 PHE}-60.3 -24.8 -66.2
{1smdH 256 PHE}-69.9 -19.3 -79.
{1smdH 286 PHE}-77.1 169.4 -52.4
{1smdH 429 PHE}-125.2 140.3 -60.4
{1stnH 34 PHE}-116. 139.1 -78.7
{1stnH 76 PHE}-79.3 155.5 -68.6
{1svnH 50 PHE}-114.6 24.4 -62.3
{1tadAH A 65 PHE}-81.3 -12.8 -74.4
{1tadAH A 195 PHE}-119.2 132.7 -56.8
{1tadAH A 263 PHE}-104.5 114.3 -81.3
{1tadAH A 303 PHE}-72.3 -54.9 -83.1
{1tadAH A 330 PHE}-65.2 -40.8 -75.8
{1talH 45 PHE}-147.2 145.7 -58.8
{1talH 88 PHE}-68.1 118.7 -84.5
{1tcaH 9 PHE}-77.1 149.6 -70.3
{1tcaH 48 PHE}-120.4 -8.2 -54.4
{1tcaH 71 PHE}51.1 41. -51.1
{1tcaH 117 PHE}-100.5 -11.3 -67.
{1tcaH 118 PHE}-121.3 84.7 -66.7
{1tcaH 131 PHE}-103.2 124. -64.7
{1tcaH 205 PHE}-61.2 135.3 -70.
{1tcaH 304 PHE}-98.1 4.8 -57.5
{1tfeH 192 PHE}-114. 133.5 -84.6
{1tgxAH A 10 PHE}78.4 10.4 -51.8
{1thmH 58 PHE}-85.2 -4.3 -71.7
{1thxH 27 PHE}-105.2 134.4 -62.5
{1ttbAH A 33 PHE}-127. 155.6 -54.3
{1udcH 80 PHE}-100.2 -18.2 -63.9
{1udcH 140 PHE}-76.9 144.4 -75.7
{1udcH 178 PHE}-93.4 -112.2 -74.4
{1udcH 218 PHE}-69.2 86. -55.2
{1vccH 5 PHE}-100.8 135.7 -64.9
{1vccH 12 PHE}-138.6 156. -55.7
{1vccH 17 PHE}63.5 36.5 -44.3
{1vccH 71 PHE}-131.3 121.1 -60.4
{1vhhH 87 PHE}-112.2 122.4 -70.2
{1vhhH 171 PHE}-62.4 138.5 -85.9
{1vieH 24 PHE}-123.8 164.7 -55.7
{1vjsH 143 PHE}50.5 69.9 -33.9
{1vjsH 160 PHE}-115.6 159.8 -55.7
{1vjsH 177 PHE}-66.8 135.8 -58.4
{1vjsH 228 PHE}-138.3 164.5 -54.1
{1vjsH 238 PHE}-59.6 -44.8 -58.7
{1vjsH 279 PHE}62. 24.8 -65.1
{1vjsH 292 PHE}-61.1 -46.7 -78.1
{1vjsH 403 PHE}-103.4 59.6 -72.
{1wabH 30 PHE}-64.5 -40. -61.1
{1wabH 70 PHE}-109.7 33.2 -69.8
{1wabH 178 PHE}-68.6 -28.8 -67.8
{1werH 899 PHE}-99.7 -49.2 -76.9
{1werH 901 PHE}-108.9 -63.9 -76.5
{1werH 915 PHE}-109.6 16.4 -89.
{1werH 946 PHE}-68.1 131.9 -67.3
{1whiH 79 PHE}-126.5 170.5 -58.7
{1whiH 99 PHE}-113.1 137.5 -57.1
{1whiH 111 PHE}-93.7 60.9 -68.9
{1xyzAH A 553 PHE}-109.9 150.5 -56.4
{1xyzAH A 576 PHE}-100.6 5.1 -64.2
{1xyzAH A 672 PHE}-66.2 -39.8 -78.2
{1xyzAH A 685 PHE}-119.1 149.5 -75.4
{1xyzAH A 720 PHE}-90.1 111.9 -75.2
{1xyzAH A 724 PHE}-102.6 161.5 -61.7
{1xyzAH A 752 PHE}-91.3 115.9 -70.9
{1xyzAH A 769 PHE}-64.5 -30.8 -73.4
{1xyzAH A 808 PHE}-124.1 79.1 -52.2
{1yalH 28 PHE}-59.6 -43.3 -78.4
{1yalH 217 PHE}-135.5 166.1 -60.7
{1ygeH 81 PHE}-127.3 134.7 -72.4
{1ygeH 125 PHE}-130.3 117.3 -55.3
{1ygeH 144 PHE}-106.2 161.6 -65.9
{1ygeH 212 PHE}-126.1 75.5 -63.9
{1ygeH 238 PHE}-90.4 110.2 -83.
{1ygeH 274 PHE}-78.8 -43.3 -77.7
{1ygeH 283 PHE}-80.8 138.6 -71.5
{1ygeH 286 PHE}-58.9 -33.5 -72.7
{1ygeH 327 PHE}-80. 157.4 -70.3
{1ygeH 413 PHE}-85.2 -28.8 -82.
{1ygeH 510 PHE}-74.8 -35.9 -63.
{1ygeH 557 PHE}-103.9 150.4 -79.5
{1ygeH 695 PHE}-74.8 -0.7 -61.8
{1ynaH 156 PHE}-60.1 -40.8 -80.1
{1ynaH 181 PHE}50.3 55.2 -71.5
{1ypcH I 69 PHE}-94. 117.4 -67.5
{1yveIH I 86 PHE}-136.7 124.6 -52.5
{1yveIH I 93 PHE}-102.3 161.6 -55.
{1yveIH I 115 PHE}-52.2 -34.5 -67.8
{1yveIH I 122 PHE}-97.6 25.9 -66.4
{1yveIH I 168 PHE}-57.9 -45.7 -70.1
{1yveIH I 176 PHE}-105.3 120.9 -58.1
{1yveIH I 213 PHE}-62.1 -40.5 -65.
{1yveIH I 240 PHE}-66.9 160.6 -66.4
{1yveIH I 422 PHE}-76. -8.2 -70.9
{1yveIH I 431 PHE}-131.7 71.4 -70.4
{1yveIH I 504 PHE}-71.9 -36.2 -71.7
{1yveIH I 532 PHE}-67.3 -40.7 -71.8
{1ziaH 3 PHE}-128.3 164.2 -65.
{1ziaH 18 PHE}-100.8 137.6 -80.2
{1ziaH 33 PHE}-98.3 115.5 -71.5
{256bAH A 65 PHE}-72.8 -33.8 -61.8
{2actH 28 PHE}-53.9 -52.2 -81.4
{2actH 74 PHE}-58.9 -44.8 -67.9
{2arcAH A 15 PHE}-87.1 117.8 -69.6
{2arcAH A 35 PHE}-85.7 136.2 -86.2
{2arcAH A 74 PHE}-109.5 105.4 -62.5
{2arcAH A 130 PHE}-66.9 -38. -79.7
{2ayhH 10 PHE}62.1 38.8 -62.
{2ayhH 30 PHE}-81.4 112.3 -75.9
{2ayhH 41 PHE}-108.8 123.3 -48.2
{2ayhH 59 PHE}-120. 144.4 -58.5
{2ayhH 110 PHE}-105.8 113.6 -68.5
{2ayhH 120 PHE}-109.4 145.7 -65.
{2ayhH 144 PHE}-83.5 139.8 -69.2
{2bopH A 361 PHE}-136. 160.9 -65.7
{2bopH A 380 PHE}-124. 153.4 -59.3
{2bopH A 404 PHE}-130.9 161.3 -56.8
{2cplH 8 PHE}-130.9 131.7 -75.7
{2cplH 25 PHE}-80.5 65.1 -58.2
{2cplH 53 PHE}-95.3 107.2 -83.3
{2cplH 88 PHE}-125.7 37.9 -65.
{2cplH 145 PHE}-93.7 -0.8 -64.
{2cppH 81 PHE}-110.8 97.2 -66.
{2cppH 87 PHE}-102.6 149.3 -76.7
{2cppH 259 PHE}-57. -47.5 -67.6
{2cppH 292 PHE}-113.1 34.1 -63.1
{2cppH 340 PHE}-66. -13.9 -50.8
{2ctcH 52 PHE}-107.6 121.5 -66.1
{2ctcH 82 PHE}-57. -44.2 -83.1
{2ctcH 106 PHE}-110.5 123. -71.7
{2ctcH 189 PHE}-83.7 134.5 -83.6
{2ctcH 267 PHE}-138.3 152.1 -65.4
{2ctcH 269 PHE}-105. 135.1 -76.7
{2ctcH 279 PHE}-69. -22.4 -58.
{2cypH 19 PHE}-69.1 -42. -71.2
{2cypH 73 PHE}-88.5 141.1 -66.3
{2cypH 108 PHE}-67.5 -46.6 -68.5
{2cypH 259 PHE}-50.2 -51. -87.6
{2cypH 284 PHE}-88.3 141. -54.4
{2cypH 286 PHE}-79.8 140.1 -52.3
{2driH 154 PHE}-65.5 148.8 -72.
{2driH 164 PHE}55.5 22.3 -70.7
{2endH 28 PHE}-56.6 -46.5 -50.2
{2endH 44 PHE}-106.8 147.5 -56.3
{2endH 60 PHE}-95.1 5.8 -65.2
{2endH 100 PHE}-87. -17.2 -65.1
{2engH 29 PHE}-60.3 139.3 -74.4
{2engH 35 PHE}69.5 22.8 -67.5
{2engH 41 PHE}-74.8 -6.9 -65.3
{2engH 72 PHE}-135.9 155.3 -54.1
{2engH 94 PHE}-70.2 142.4 -68.4
{2engH 120 PHE}-114. 121. -74.5
{2engH 132 PHE}-109.7 134.5 -58.7
{2engH 159 PHE}-75.3 155. -78.
{2engH 171 PHE}-91.8 -31.7 -64.9
{2engH 207 PHE}-126.8 154.3 -59.
{2er7H E 41 PHE}-59.5 145.7 -85.5
{2er7H E 111 PHE}-75. -36.7 -69.9
{2er7H E 125 PHE}-79.8 150.5 -69.3
{2er7H E 167 PHE}-129.1 125.2 -79.1
{2er7H E 189 PHE}-107. 161.1 -73.3
{2er7H E 302 PHE}-88.1 86.9 -75.6
{2er7H E 314 PHE}-94.5 99.4 -65.8
{2er7H E 323 PHE}-128. 133.8 -68.9
{2er7H I 4 PHE}-107.8 149.2 -84.1
{2hftH 19 PHE}74.4 -8. -62.2
{2hftH 76 PHE}-95.5 149.8 -67.3
{2hftH 140 PHE}-100.1 143.7 -70.3
{2hftH 147 PHE}-84.4 -22.6 -68.
{2hmzAH A 14 PHE}-89.1 1. -75.9
{2hmzAH A 29 PHE}-56. -51. -81.3
{2hmzAH A 55 PHE}-55.8 -43.4 -71.3
{2hmzAH A 107 PHE}-59.1 -26.1 -83.4
{2ihlH 34 PHE}-91.9 -15.5 -69.1
{2ihlH 38 PHE}68.8 17.3 -59.2
{2ilkH 37 PHE}-72. -29.6 -65.5
{2ilkH 56 PHE}-63.2 -28.6 -87.5
{2ilkH 111 PHE}-77.7 -11. -88.9
{2ltnABH A 20 PHE}-110.1 140.3 -59.9
{2ltnABH A 120 PHE}-122. 91.8 -54.8
{2ltnABH B 24 PHE}-122.3 153.6 -66.5
{2mcmH 111 PHE}-111.3 147.4 -70.1
{2mhrH 14 PHE}-91.6 -1.4 -72.7
{2mhrH 17 PHE}76.1 30.1 -62.5
{2mhrH 29 PHE}-57.1 -47.5 -86.8
{2mhrH 55 PHE}-59.6 -41.6 -68.2
{2mhrH 112 PHE}-61.3 -23.9 -92.1
{2msbAH A 111 PHE}-114.5 140.3 -66.4
{2msbAH A 112 PHE}-121. 129.7 -65.8
{2msbAH A 156 PHE}-78.2 147.3 -83.2
{2msbAH A 168 PHE}-68.8 135.9 -74.3
{2phyH 63 PHE}-78.9 -30.4 -58.8
{2phyH 96 PHE}-91. 123.7 -66.5
{2phyH 121 PHE}-107.7 143.3 -56.8
{2pkcH 49 PHE}-93.3 -15.9 -66.3
{2pkcH 202 PHE}-111. 154.6 -81.4
{2rheH 63 PHE}-93.5 141.5 -62.8
{2rheH 101 PHE}-131.2 153.8 -55.4
{2rn2H 8 PHE}-133.2 136.4 -59.5
{2rn2H 35 PHE}-119.3 142.4 -56.4
{2sfaH 19 PHE}-145. 151.1 -48.6
{2simH 9 PHE}-128.1 131.8 -67.1
{2simH 16 PHE}-116.2 157.1 -64.2
{2simH 36 PHE}-116. 137.5 -68.
{2simH 52 PHE}-107.3 152.7 -57.6
{2simH 191 PHE}-99.6 122.9 -88.9
{2simH 228 PHE}48.6 -122.6 -56.6
{2simH 254 PHE}-122.5 160.8 -72.5
{2sn3H 44 PHE}72.4 22.7 -51.2
{2trxAH A 27 PHE}-94.7 118.8 -73.7
{2weaH 32 PHE}-74.6 130.3 -81.5
{2weaH 42 PHE}-60.5 143.8 -79.7
{2weaH 86 PHE}-138.1 153.1 -58.9
{2weaH 112 PHE}-78.4 -38.1 -61.6
{2weaH 126 PHE}-70.3 143.9 -68.3
{2weaH 167 PHE}-107.5 125.4 -77.
{2weaH 190 PHE}-100.9 162.2 -57.2
{2weaH 298 PHE}-81. 80.3 -70.5
{2weaH 310 PHE}-105.6 98. -67.
{2weaH 319 PHE}-133.7 146.6 -59.6
{3btoAH A 130 PHE}-113.7 134.3 -64.7
{3btoAH A 146 PHE}-92.6 55.7 -65.5
{3btoAH A 229 PHE}-67. -41.2 -70.3
{3btoAH A 264 PHE}-131.7 135.6 -62.4
{3btoAH A 266 PHE}-134.2 125. -65.2
{3btoAH A 322 PHE}-83.9 134.6 -75.9
{3btoAH A 359 PHE}-71.5 -30.4 -85.6
{3chyH 8 PHE}-96.1 149.7 -75.7
{3chyH 14 PHE}-107.6 115.3 -72.2
{3chyH 30 PHE}-105.7 102.3 -59.3
{3chyH 124 PHE}-56.6 -46.6 -65.5
{3dfrH 83 PHE}-63.9 -41.3 -81.3
{3dfrH 103 PHE}-58. -40.1 -66.9
{3dfrH 106 PHE}-106.8 14.9 -68.5
{3ebxH 4 PHE}-70.6 149.8 -75.7
{3grsH 226 PHE}-85.1 172.7 -75.7
{3grsH 248 PHE}47.6 41.5 -64.5
{3grsH 318 PHE}-103.6 10.6 -63.
{3grsH 354 PHE}-105.2 -12.8 -53.6
{3grsH 372 PHE}-84.9 65.9 -71.8
{3grsH 447 PHE}-65.9 -29.1 -63.6
{3grsH 460 PHE}-62.8 -50. -80.2
{3lckH 256 PHE}-108.9 8.9 -52.6
{3lckH 383 PHE}-95. 22.6 -60.3
{3lckH 402 PHE}-130. 160.6 -59.
{3lckH 417 PHE}-116.6 137. -69.7
{3lckH 487 PHE}-67.4 -28.1 -81.5
{3lckH 497 PHE}-61.2 -41.7 -74.8
{3lzmH 4 PHE}-64.8 -46.5 -65.7
{3lzmH 153 PHE}-71.2 -36.9 -83.
{3nulH 66 PHE}-101.4 132.9 -70.5
{3nulH 103 PHE}-113.9 142.3 -65.2
{3nulH 105 PHE}-109.4 134.5 -75.9
{3pteH 67 PHE}-65.3 -45.8 -75.8
{3pteH 120 PHE}-111.4 35.8 -49.1
{3pteH 135 PHE}-114.4 150.6 -65.6
{3pteH 164 PHE}-87.7 -9.7 -78.4
{3pteH 188 PHE}-59. -50. -50.5
{3pteH 197 PHE}-147.2 157.5 -54.5
{3pteH 251 PHE}-68.8 -34. -78.3
{3pteH 310 PHE}-138. 153.9 -73.8
{3sdhAH A 41 PHE}-68.1 -36. -55.5
{3sdhAH A 51 PHE}-105.8 26.4 -69.
{3sdhAH A 80 PHE}-56.8 -47.6 -62.9
{3sdhAH A 97 PHE}-71. -32.7 -69.3
{3sdhAH A 127 PHE}-112. 117.5 -71.
{3vubH 3 PHE}76. -0.8 -56.8
{3vubH 98 PHE}-91.5 -47.7 -62.
{4fgfH 30 PHE}-92.7 153.6 -72.9
{4fgfH 31 PHE}-99.9 139.8 -60.8
{4fgfH 94 PHE}-132.8 142. -63.3
{4fgfH 95 PHE}-83.9 128.1 -72.3
{4fgfH 139 PHE}-130.6 153.7 -71.
{4mbpH 61 PHE}-110.1 136.9 -85.1
{4mbpH 156 PHE}-84.9 -23.9 -68.4
{4mbpH 169 PHE}-129.4 136.2 -60.4
{4pgaAH A 182 PHE}-91.9 120.5 -74.
{4pgaAH A 200 PHE}-129.6 -19.2 -62.4
{4pgaAH A 213 PHE}-105.1 145.3 -53.5
{4pgaAH A 334 PHE}-75. -18.7 -97.2
{4xisH 11 PHE}-82.4 129.1 -63.9
{4xisH 13 PHE}-138.9 144. -68.5
{4xisH 26 PHE}-119. 11.2 -59.9
{4xisH 99 PHE}-89.9 20. -60.5
{4xisH 104 PHE}-65.7 -23.6 -55.6
{4xisH 162 PHE}-64.7 -35.5 -75.2
{4xisH 178 PHE}-99.9 148.7 -65.5
{4xisH 242 PHE}-86.1 -23.8 -59.2
{4xisH 286 PHE}-104.4 120.7 -61.9
{4xisH 296 PHE}-60. -35.2 -69.8
{4xisH 372 PHE}-73.6 -30.1 -62.9
{5cytH R 36 PHE}-70. 126.1 -74.7
{5p21H 78 PHE}-130.3 132.2 -59.5
{5p21H 156 PHE}-67.5 -42. -75.1
{5palH 18 PHE}-114.5 34.2 -57.7
{5palH 30 PHE}-70.3 -27.9 -69.5
{5palH 57 PHE}-138.4 152.9 -58.1
{5palH 70 PHE}-95. -35.6 -70.9
{6celH 120 PHE}-127.8 137.8 -67.5
{6celH 146 PHE}-125.3 143.5 -74.4
{6celH 182 PHE}-132.7 127.5 -69.8
{6celH 280 PHE}-113.7 152.6 -66.4
{6celH 294 PHE}-110.3 88. -57.5
{6celH 311 PHE}-137.5 122.6 -53.3
{6celH 338 PHE}-86.8 -25.4 -64.4
{6celH 418 PHE}-103.5 134.4 -69.3
{6fd1H 2 PHE}-96.1 157.3 -81.3
{6fd1H 25 PHE}-98.2 138.8 -73.5
{6fd1H 55 PHE}-133.7 148.6 -64.3
{6fd1H 67 PHE}-66.6 -25.2 -78.9
{7rsaH 46 PHE}-106.4 140.2 -68.9
{8abpH 17 PHE}-72.5 -35.6 -71.5
{8abpH 23 PHE}-79.3 -25.1 -80.1
{8abpH 92 PHE}-68.1 143.2 -66.8
{8abpH 221 PHE}-93. 135.9 -71.5
{8rucAIH A 40 PHE}-106.2 142. -72.1
{8rucAIH A 108 PHE}-112.1 144. -50.2
{8rucAIH A 117 PHE}-69.1 -34.9 -79.1
{8rucAIH A 125 PHE}-66.6 -16.3 -70.7
{8rucAIH A 127 PHE}-60.3 132.5 -104.4
{8rucAIH A 148 PHE}-110.8 154.6 -67.
{8rucAIH A 199 PHE}-139.6 160.9 -53.9
{8rucAIH A 218 PHE}-56.1 -47.1 -79.2
{8rucAIH A 220 PHE}-67.3 -37.6 -80.
{8rucAIH A 274 PHE}-67. -38.9 -79.1
{8rucAIH A 364 PHE}-138.9 155.6 -51.6
{8rucAIH A 394 PHE}-89.8 -30. -61.2
{8rucAIH A 402 PHE}-125.1 94.4 -60.7
{8rucAIH A 467 PHE}-127.6 97.8 -62.6
{8rucAIH A 469 PHE}-143.4 153.7 -67.3
{8rucAIH I 50 PHE}-134.1 152.8 -55.1
{8rucAIH I 75 PHE}-59.3 132. -58.9
{8rucAIH I 98 PHE}-87.9 141.2 -71.2
{8rucAIH I 104 PHE}-92.6 138.7 -67.3
@dotlist {chi1 +60} color= pink
{1a62H 62 PHE}-100.2 169.6 61.6
{1a8uAH A 195 PHE}-59.2 -41.1 76.6
{1aacH 11 PHE}-136.9 172. 47.6
{1aacH 97 PHE}-70.8 -15.7 51.8
{1aapAH A 33 PHE}-154.6 164.1 79.7
{1ab9H B 41 PHE}-118.7 -15. 65.
{1abaH 31 PHE}-143.2 161.1 60.5
{1adsH 278 PHE}-145.3 170.2 74.8
{1ahtH H 181 PHE}-142.2 158.4 65.7
{1akoH 179 PHE}-142.2 34.3 39.1
{1akyH 86 PHE}-152.1 156.2 52.2
{1ammH 29 PHE}-163.1 150.5 65.9
{1aopH 120 PHE}-133.8 162.7 62.5
{1aqzAH A 107 PHE}-64.4 -19.4 65.6
{1ar5AH A 167 PHE}-140.8 -16.6 60.6
{1arbH 114 PHE}-115.6 154.5 86.7
{1arbH 257 PHE}-157.6 157. 58.2
{1benABH B 24 PHE}-157.7 170.9 64.8
{1benABH B 25 PHE}-123.7 135.8 57.6
{1bpiH 22 PHE}-133.4 155.7 74.9
{1bpiH 33 PHE}-145.7 168.4 79.2
{1brtH 195 PHE}-65.2 -34.5 76.7
{1btkAH A 102 PHE}-142.1 160.4 67.8
{1btyH 41 PHE}-131.8 -15.8 68.2
{1btyH 181 PHE}-146.2 158.4 64.7
{1bvcH 46 PHE}-148.9 24.1 58.6
{1cilH 66 PHE}-119.6 141.3 58.
{1cilH 93 PHE}-133.1 155.6 69.8
{1ckaH A 153 PHE}-155.7 170.4 53.2
{1cnvH 39 PHE}-159.7 158.3 55.6
{1cnvH 157 PHE}-62.1 149.8 65.9
{1cseH E 189 PHE}-74.6 -12.6 55.1
{1dosAH A 29 PHE}-141.4 161.7 72.5
{1dosAH A 216 PHE}-145.6 152.6 58.
{1edgH 42 PHE}-125.7 7. 60.1
{1eltH 215 PHE}-151.5 165.5 65.5
{1ertH 89 PHE}-152.5 165.3 69.
{1ezmH 56 PHE}-138.5 178.1 59.2
{1fdrH 36 PHE}-133.4 163.8 57.8
{1fkjH 36 PHE}-113. -15.5 55.7
{1fkjH 48 PHE}-159.5 159.5 73.3
{1fmkH 102 PHE}-156.3 159.7 53.
{1fmkH 172 PHE}-147.7 163.8 78.4
{1fonAH A 208 PHE}-150.8 161.7 65.5
{1frbH 3 PHE}-155.2 164.9 72.8
{1frbH 137 PHE}-74.3 -17.7 57.6
{1frbH 278 PHE}-144.9 167.4 80.5
{1fvkAH A 26 PHE}-158.7 174.1 76.9
{1fvkAH A 63 PHE}-66.6 10. 57.8
{1gaiH 402 PHE}-135.7 139.9 53.
{1gcaH 90 PHE}-144.4 147.4 64.2
{1gdjH 46 PHE}-70.2 -9.4 52.5
{1gofH 116 PHE}-151.9 166. 40.9
{1gofH 295 PHE}-164.7 174.7 52.3
{1gofH 604 PHE}-157.4 158.7 58.2
{1hfcH 207 PHE}-77.2 -13.4 68.2
{1hmtH 27 PHE}-58.5 -35.5 73.7
{1hmtH 64 PHE}-161.7 162.3 55.1
{1hmtH 70 PHE}-143.6 155.2 58.
{1hpgH A 52 PHE}-129.4 144.5 62.7
{1hpgH A 200 PHE}-154.6 160.1 64.7
{1hpmH 68 PHE}-153.5 176.2 59.7
{1hpmH 92 PHE}-99.7 158.9 52.3
{1hytH 114 PHE}-166.1 165.2 54.2
{1icmH 62 PHE}-144.6 152.4 58.6
{1icmH 68 PHE}-148.1 169.7 68.
{1idoH 184 PHE}-154.7 130.5 57.2
{1jcvH 99 PHE}-156.4 165.6 57.
{1jerH 41 PHE}-157.9 164.3 48.
{1jevH A 361 PHE}-155.3 174.6 59.6
{1jevH A 409 PHE}-161.1 169.4 75.8
{1kapH P 127 PHE}-136.9 160.5 64.9
{1kapH P 136 PHE}-154.6 162.6 64.6
{1kapH P 269 PHE}-71.1 -12.9 57.8
{1kapH P 281 PHE}-160.3 158.1 63.6
{1knbH 575 PHE}-154.2 166.8 64.8
{1kuhH 42 PHE}-143.2 158.8 70.4
{1lidH 64 PHE}-155.9 160.3 53.3
{1lidH 70 PHE}-144.9 164.2 60.7
{1lkkH A 151 PHE}-153.1 165.9 75.6
{1llpH 148 PHE}-104.7 4.8 50.3
{1llpH 303 PHE}-160.1 168.1 48.6
{1lucH B 6 PHE}-137.7 156.8 69.2
{1lucH B 105 PHE}-129.8 170.6 64.1
{1lucH B 153 PHE}-161.5 161.2 50.8
{1mh1H 82 PHE}-141.5 153. 69.7
{1mlaH 4 PHE}-125.5 159.9 60.9
{1mrjH 179 PHE}-150.1 156.4 77.1
{1mtyBDH B 38 PHE}-87.1 -5.6 59.6
{1mtyBDH D 39 PHE}-158.1 145.7 55.7
{1mtyBDH D 358 PHE}-134.5 33.8 59.2
{1mtyBDH D 359 PHE}-159.1 163.1 44.7
{1myrH 96 PHE}-139.2 167.5 64.7
{1myrH 324 PHE}-154.7 172.1 67.3
{1myrH 331 PHE}-158.3 173.1 56.9
{1nfpH 9 PHE}-134.1 157.5 80.
{1nifH 124 PHE}-148.1 149.7 77.5
{1nlsH 128 PHE}-137.2 155.2 59.5
{1nlsH 191 PHE}-144.9 156.1 61.9
{1nlsH 195 PHE}-143.1 151.2 63.8
{1nlsH 197 PHE}-140. 157.7 57.8
{1nlsH 213 PHE}-138.6 160.9 71.2
{1noxH 160 PHE}-158.7 161.4 61.4
{1nscAH A 410 PHE}-156.7 155.8 52.2
{1nscAH A 412 PHE}-161.2 168.3 64.5
{1nwpAH A 97 PHE}-139.9 164. 62.5
{1nwpAH A 111 PHE}-157.8 171.8 64.6
{1oncH 86 PHE}-144.3 160.7 64.8
{1phpH 322 PHE}-68.8 -11.9 84.7
{1plcH 19 PHE}-155. 167.9 46.6
{1plcH 82 PHE}-140.6 164.7 59.6
{1qoaAH A 39 PHE}-163.8 165.1 67.8
{1rcfH 127 PHE}-152.6 167.6 69.1
{1sbpH 281 PHE}-110.8 162.2 45.7
{1sgpH E 52 PHE}-132.2 145.3 64.6
{1sgtH 29 PHE}-79.9 -9.1 51.7
{1sgtH 200 PHE}-140.5 169.4 57.3
{1shaH A 29 PHE}-141.4 169.2 70.4
{1smdH 119 PHE}-157. 151. 65.2
{1smdH 295 PHE}-165.8 158.6 44.8
{1smdH 315 PHE}-56.5 -28.4 67.2
{1smdH 419 PHE}-166.3 153.7 66.
{1smdH 487 PHE}-155.3 152.6 67.8
{1tadAH A 185 PHE}-165.7 164.4 54.9
{1talH 52 PHE}-140.9 140.7 70.5
{1talH 228 PHE}-123.9 149.9 67.6
{1tfeH 189 PHE}-149.3 158.9 65.2
{1thmH 193 PHE}-83. -14.2 52.8
{1ttbAH A 95 PHE}-153.3 152.6 61.4
{1vccH 59 PHE}-153. 163.9 71.
{1vjsH 11 PHE}-172.3 161.3 74.3
{1vjsH 323 PHE}-149.9 160.4 67.8
{1xncH 36 PHE}-150.7 157.3 72.
{1xncH 125 PHE}-148.9 162.8 56.
{1xyzAH A 797 PHE}-133.2 -14.7 62.1
{1yalH 214 PHE}-126.7 143.2 62.5
{1ygeH 97 PHE}-159.8 150.1 77.
{1ygeH 107 PHE}-132.8 162.7 59.1
{1ynaH 62 PHE}-143.9 150.5 67.
{1ynaH 93 PHE}-154.2 153.3 59.9
{1ynaH 134 PHE}-156.6 157.6 59.7
{1yveIH I 88 PHE}-163.1 173.7 52.3
{1yveIH I 277 PHE}-136.2 154. 86.7
{1yveIH I 302 PHE}-143.8 144.3 86.4
{1yveIH I 587 PHE}-92.4 20.4 51.4
{1ziaH 56 PHE}-143.4 159.6 53.6
{2arcAH A 34 PHE}-149.1 162.1 58.8
{2arcAH A 98 PHE}-157.2 163.6 62.1
{2arcAH A 114 PHE}-177.6 160.4 42.5
{2ayhH 6 PHE}-157.2 160.6 72.2
{2ayhH 92 PHE}-157.6 166.4 60.7
{2ayhH 138 PHE}-155.9 167.6 56.5
{2ayhH 149 PHE}-139.7 140. 52.6
{2cplH 7 PHE}-127.6 157.1 72.6
{2cplH 46 PHE}-151.7 164. 52.9
{2cplH 67 PHE}-89.3 1.7 53.5
{2cplH 83 PHE}-143.5 163.2 65.8
{2cplH 112 PHE}-145.4 167.8 59.3
{2cplH 113 PHE}-139.3 152.8 53.4
{2cppH 381 PHE}-156.8 164.4 55.4
{2engH 139 PHE}-148.8 14.1 48.5
{2engH 182 PHE}-156.7 165.7 54.2
{2engH 184 PHE}-144.6 159.5 72.3
{2er7H E 151 PHE}-148.5 139.4 77.9
{2er7H E 169 PHE}-165. 154. 79.3
{2er7H E 259 PHE}-123.4 150.5 63.4
{2ltnABH A 6 PHE}-157.2 152.9 65.6
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{2ltnABH A 67 PHE}-159.3 159. 50.2
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{2ltnABH A 86 PHE}-142.2 156.8 66.2
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{2weaH 169 PHE}-162.3 161. 80.2
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{2weaH 247 PHE}-163.3 166.8 40.7
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{3chyH 111 PHE}-138.4 159.8 54.
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{4mbpH 149 PHE}-144.3 165.8 64.7
{4xisH 53 PHE}-155.9 155.8 68.
{4xisH 94 PHE}-142.6 -24.7 53.1
{4xisH 288 PHE}-137.5 169.4 83.7
{5p21H 82 PHE}-128.4 168.8 67.8
{6celH 129 PHE}-161.9 153.9 71.
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{1fmkH 448 PHE}-60. -41.5 -174.1
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{1llpH 111 PHE}-66.7 -52.9 -176.6
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{1lucH B 260 PHE}-56.1 -55.9 -183.7
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{1mtyBDH B 256 PHE}-65.5 -48.5 -181.6
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{1myrH 76 PHE}-56.1 -53. -182.4
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{1phpH 379 PHE}-64.5 -44.9 -175.1
{1plcH 70 PHE}-133.6 119.8 -181.8
{1poaH 5 PHE}-62.2 -45.1 -173.3
{1ppnH 141 PHE}-63.5 -50.8 -171.8
{1ppnH 149 PHE}-80.1 130.1 -174.7
{1ptxH 15 PHE}-63.1 145.6 -187.1
{1ra9H 31 PHE}-57.3 -48.1 -182.7
{1ra9H 137 PHE}-149.5 140.4 -191.4
{1rcfH 98 PHE}-70. 116. -178.8
{1rgeAH A 37 PHE}-98.6 123. -182.5
{1rhsH 57 PHE}-89.1 119.2 -174.2
{1rhsH 58 PHE}-95.4 110.2 -179.5
{1rhsH 80 PHE}-61.9 -46.3 -173.8
{1rhsH 130 PHE}-62.5 -29.4 -153.9
{1rhsH 152 PHE}-125.8 140.1 -181.7
{1rhsH 276 PHE}-57.9 -44.8 -171.8
{1rhsH 279 PHE}-59.3 -36.8 -185.9
{1rpoH A 14 PHE}-63.8 -46.5 -179.7
{1rroH 24 PHE}-65.5 131. -185.9
{1rroH 29 PHE}-60.2 -46.4 -177.8
{1rroH 47 PHE}-49.9 -47. -179.6
{1rroH 66 PHE}-50.2 -49.9 -174.4
{1rroH 102 PHE}-60.7 -49. -170.
{1sbpH 24 PHE}-59.5 -43.6 -181.5
{1sbpH 158 PHE}-63.7 -49.7 -180.6
{1sbpH 180 PHE}-71.2 -57.6 -172.2
{1sbpH 304 PHE}-57.9 -48.1 -177.7
{1sgpH E 94 PHE}-165.9 138. -184.9
{1sgpH I 37 PHE}-60.4 -48.2 -186.6
{1sgtH 162 PHE}-60. 141.7 -185.6
{1smdH 17 PHE}-53.2 116.2 -175.8
{1smdH 55 PHE}-70.5 103.9 -168.4
{1smdH 79 PHE}-63.4 -49.4 -177.
{1smdH 327 PHE}-62.6 -45. -175.7
{1smdH 335 PHE}-96.6 121.3 -169.7
{1smdH 397 PHE}-56. -49.1 -180.7
{1smdH 426 PHE}-151.1 138.1 -160.8
{1sriAH A 29 PHE}-127.3 121.4 -195.6
{1stnH 61 PHE}-57.6 -56.1 -171.
{1tadAH A 136 PHE}-59. -43. -187.6
{1tadAH A 187 PHE}-147.5 131.6 -179.4
{1tadAH A 219 PHE}-97.9 123.9 -169.5
{1tadAH A 246 PHE}-59.9 -41.8 -177.6
{1tadAH A 270 PHE}-59.6 -44.1 -178.3
{1tadAH A 332 PHE}-63.1 -33.4 -167.2
{1talH 94 PHE}-167.1 129.6 -181.7
{1tcaH 220 PHE}-78.8 120.8 -172.9
{1tcaH 232 PHE}-60.3 -45.2 -181.1
{1tfeH 89 PHE}-69.6 -41. -183.4
{1tfeH 161 PHE}-56.5 132.9 -169.8
{1thmH 8 PHE}-56.1 -59.2 -178.4
{1thxH 102 PHE}-59.2 -45.1 -186.3
{1ttbAH A 44 PHE}-118. -46.6 -179.8
{1ttbAH A 64 PHE}-86.8 72. -166.5
{1ttbAH A 87 PHE}-78.8 -47.2 -176.2
{1udcH 54 PHE}-120.2 134.6 -183.7
{1udcH 119 PHE}-140.2 145.7 -163.4
{1udcH 121 PHE}-113.2 136.4 -182.7
{1udcH 276 PHE}-69.9 -40.4 -153.3
{1vhhH 74 PHE}-52.8 -34. -172.3
{1vjsH 153 PHE}-66.1 127.8 -171.3
{1vjsH 240 PHE}-61.3 -49.3 -185.
{1vjsH 257 PHE}-51.9 138.1 -189.7
{1vjsH 343 PHE}-89.2 -20.3 -166.3
{1vjsH 350 PHE}-60.5 -49.3 -170.
{1vjsH 362 PHE}-95.4 126.3 -180.7
{1wabH 171 PHE}-90.3 129.2 -181.7
{1werH 809 PHE}-62.2 -48. -192.3
{1werH 959 PHE}-60. -49.2 -203.8
{1werH 970 PHE}-61.1 -49.4 -189.
{1xncH 146 PHE}-58.3 -33.5 -164.8
{1xyzAH A 537 PHE}-54.8 -46.9 -195.4
{1xyzAH A 564 PHE}-51. -45.7 -153.4
{1xyzAH A 585 PHE}-63. -45.4 -193.3
{1xyzAH A 702 PHE}-60.3 -47.5 -188.2
{1xyzAH A 792 PHE}-127.1 94.5 -169.5
{1yalH 121 PHE}-58.5 -51.4 -168.6
{1yalH 141 PHE}-65.6 -45. -162.1
{1yalH 149 PHE}-74. 131.4 -175.4
{1ygeH 346 PHE}-52.1 -48.7 -191.6
{1ygeH 436 PHE}-126. 131. -185.7
{1ygeH 576 PHE}-52.3 -49.9 -178.8
{1ygeH 782 PHE}-65.9 -33.5 -171.1
{1ygeH 785 PHE}-57.4 -49.6 -181.1
{1ygeH 830 PHE}67.1 23.4 -168.
{1yveIH I 317 PHE}-66.3 -50.9 -202.1
{1yveIH I 335 PHE}-62.3 -43.2 -183.3
{1yveIH I 384 PHE}-58.3 -43.8 -187.
{1yveIH I 463 PHE}-59.8 -41.8 -162.3
{1yveIH I 512 PHE}-57.9 -26.2 -155.5
{1yveIH I 558 PHE}-62.6 -46.9 -201.
{256bAH A 61 PHE}-57.2 -47.6 -193.7
{2actH 76 PHE}-57.4 -52.7 -192.3
{2actH 144 PHE}-64.3 -47.8 -166.1
{2actH 152 PHE}-73.3 135.2 -177.9
{2arcAH A 64 PHE}-136.5 125.5 -177.8
{2arcAH A 134 PHE}-61.5 -41.5 -143.2
{2ayhH 7 PHE}-127.3 125.5 -185.8
{2ayhH 91 PHE}-140.7 122.3 -184.3
{2bopH A 343 PHE}-50.6 -56.7 -175.5
{2bopH A 389 PHE}-54.5 -55.1 -167.9
{2ccyAH A 82 PHE}-65.9 -52.9 -171.1
{2cplH 36 PHE}-63. -44.3 -166.9
{2cplH 60 PHE}-135.5 -71.2 -181.8
{2cppH 24 PHE}-147.3 110.6 -172.2
{2cppH 26 PHE}-89.1 129.3 -169.6
{2cppH 163 PHE}-66.3 -44.1 -178.8
{2cppH 193 PHE}-62.8 -45.5 -179.8
{2cppH 256 PHE}-54.3 -43.7 -177.
{2cppH 263 PHE}-61.2 -48.6 -186.3
{2cppH 307 PHE}-123.8 115.5 -177.
{2ctcH 21 PHE}-55.1 -42.6 -199.2
{2ctcH 96 PHE}-63.3 -39.8 -177.2
{2ctcH 116 PHE}-62.4 -45.6 -171.4
{2ctcH 118 PHE}-62.8 -36.1 -160.9
{2ctcH 151 PHE}-50.8 131.6 -179.4
{2ctcH 182 PHE}-61.2 -48.6 -174.1
{2ctcH 192 PHE}-141.8 110.9 -173.3
{2cypH 77 PHE}-59.1 -36. -166.7
{2cypH 89 PHE}-54.2 -50.9 -173.7
{2cypH 91 PHE}-57.4 -45.6 -181.8
{2cypH 157 PHE}-51.9 -54.5 -186.7
{2cypH 198 PHE}-78.8 114.3 -160.4
{2cypH 202 PHE}-51. -48.4 -188.
{2cypH 258 PHE}-56.4 -57.7 -189.2
{2cypH 262 PHE}-66.6 -38.9 -178.8
{2driH 15 PHE}-58.9 -47.8 -184.
{2driH 145 PHE}-62.5 -38.4 -172.
{2driH 187 PHE}-101.3 113.1 -184.6
{2endH 50 PHE}-59.6 139.3 -184.
{2endH 59 PHE}-53.7 -26.8 -185.1
{2endH 66 PHE}-56.5 -47.8 -193.2
{2engH 68 PHE}-144. 130.6 -175.3
{2engH 174 PHE}-84.7 -0.6 -159.3
{2er7H E 139 PHE}-65.1 -44.7 -178.6
{2er7H E 203APHE}-78.7 127.4 -184.2
{2er7H E 257 PHE}-132.1 124.9 -176.9
{2er7H E 284 PHE}-93.7 137.4 -168.2
{2er7H E 311 PHE}-98.3 125.3 -175.6
{2hmzAH A 80 PHE}-70.6 -38.6 -167.9
{2ilkH 30 PHE}-67.5 -32.9 -191.3
{2ilkH 36 PHE}-50.7 -52.8 -184.2
{2ilkH 71 PHE}-57.9 -51. -191.8
{2ilkH 128 PHE}-62. -46.3 -197.2
{2ilkH 143 PHE}-59. -36.7 -164.
{2ltnABH A 83 PHE}-136.3 152.1 -194.6
{2ltnABH A 85 PHE}-107.6 139.2 -199.9
{2ltnABH A 166 PHE}-123. 127.2 -180.9
{2mhrH 33 PHE}-56.1 -37.8 -188.
{2mhrH 80 PHE}-68.2 -43. -170.3
{2msbAH A 121 PHE}-53.6 -42.6 -172.6
{2phyH 6 PHE}-55.7 131.4 -180.6
{2phyH 62 PHE}-60.1 -46.3 -173.8
{2phyH 75 PHE}-130.6 -74.3 -164.6
{2phyH 79 PHE}-63.3 -49.5 -182.6
{2pkcH 113 PHE}-62.1 -49.3 -190.
{2pkcH 266 PHE}-56. 127.2 -162.8
{2simH 65 PHE}-88.4 110.1 -167.4
{2simH 237 PHE}-134.6 104. -175.5
{2simH 259 PHE}46.9 54.2 -155.
{2simH 368 PHE}-118.2 138.9 -188.7
{2trxAH A 12 PHE}-55.5 -47.4 -157.8
{2trxAH A 102 PHE}-60.8 -44.9 -191.2
{2weaH 140 PHE}-52.2 -45.1 -188.2
{2weaH 141 PHE}-63.4 -47.8 -182.
{2weaH 256 PHE}-135.4 135.6 -184.
{2weaH 302 PHE}-69.6 -46.6 -188.1
{3btoAH A 110 PHE}-89.9 72.3 -166.7
{3btoAH A 140 PHE}-129.2 113.9 -183.6
{3btoAH A 176 PHE}-69.9 -46.5 -194.
{3btoAH A 319 PHE}57.6 39.3 -161.1
{3btoAH A 335 PHE}-67.4 -39.2 -188.3
{3btoAH A 352 PHE}-45.7 -43.1 -185.2
{3chyH 53 PHE}-163.1 144.7 -160.3
{3dfrH 30 PHE}-46.6 -52.2 -179.6
{3grsH 94 PHE}-75.8 138.9 -192.1
{3grsH 180 PHE}-57.9 -37.7 -187.5
{3lckH 285 PHE}-61.8 -50.9 -177.4
{3lckH 327 PHE}-57.9 -39.7 -183.3
{3lckH 354 PHE}-67.2 -48.8 -185.9
{3lckH 498 PHE}-67.1 -47.1 -198.3
{3lzmH 67 PHE}-64.2 -46.2 -171.2
{3lzmH 104 PHE}-62.9 -42.4 -175.9
{3nulH 59 PHE}-56. -52.9 -186.1
{3pteH 127 PHE}-60.3 -48.7 -189.2
{3pteH 250 PHE}-55.7 -52.2 -186.3
{3sdhAH A 111 PHE}-57.3 -41.5 -164.8
{451cH 7 PHE}-55.8 -37.3 -192.6
{4icbH 10 PHE}-51.5 -54.2 -179.5
{4icbH 63 PHE}-63.6 -32.6 -170.9
{4icbH 66 PHE}-60.3 -27. -177.9
{4mbpH 47 PHE}-44.8 -56.5 -175.7
{4mbpH 194 PHE}-54.1 -46.4 -169.9
{4mbpH 217 PHE}-66.5 -43.6 -175.
{4mbpH 250 PHE}-137.8 129. -184.3
{4mbpH 339 PHE}-39.2 -56.9 -192.1
{4xisH 61 PHE}-53.1 135. -175.3
{4xisH 75 PHE}-64.2 -48.1 -175.9
{4xisH 202 PHE}-62.2 -42. -189.2
{4xisH 260 PHE}-60.8 132.9 -178.9
{4xisH 269 PHE}-60.2 -51.9 -192.3
{4xisH 320 PHE}-59.4 -51.9 -185.6
{4xisH 357 PHE}-154.5 -70.4 -169.5
{4xisH 360 PHE}-81.8 129.6 -181.9
{5cytH R 10 PHE}-59.1 -48.8 -174.3
{5cytH R 82 PHE}-153.9 128.4 -181.7
{5nulH 66 PHE}-67.9 -47.6 -160.
{5nulH 69 PHE}-60.9 -49.2 -202.4
{5nulH 99 PHE}-60.9 -44.5 -170.3
{5nulH 131 PHE}-62.6 -45.1 -176.8
{5p21H 28 PHE}-88.6 121.8 -185.2
{5p21H 90 PHE}-69.2 -46.6 -183.1
{5palH 29 PHE}-56.9 -47.4 -183.4
{5palH 47 PHE}-57.1 -46.5 -185.9
{5palH 102 PHE}-64. -45.1 -174.5
{6celH 95 PHE}-74.5 -62.9 -171.5
{6celH 127 PHE}-122.8 130.2 -175.3
{6celH 273 PHE}-78.9 -44.2 -179.
{6celH 423 PHE}-138.5 142.7 -190.1
{6fd1H 31 PHE}-161.8 156.3 -173.4
{7rsaH 8 PHE}-60.1 -46.6 -184.
{7rsaH 120 PHE}-99. 116.6 -169.8
{8abpH 7 PHE}-139.8 101.6 -154.2
{8abpH 183 PHE}-58. -51.9 -180.8
{8abpH 248 PHE}-84.4 101. -171.9
{8rucAIH A 13 PHE}-94.6 133.9 -203.1
{8rucAIH A 256 PHE}-66. -36.9 -170.5
{8rucAIH A 311 PHE}-54.6 -30.6 -178.3