NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
437555 |
2k33   |
15737 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k33
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 1599
_Distance_constraint_stats_list.Viol_count 2571
_Distance_constraint_stats_list.Viol_total 6377.330
_Distance_constraint_stats_list.Viol_max 1.177
_Distance_constraint_stats_list.Viol_rms 0.0542
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0100
_Distance_constraint_stats_list.Viol_average_violations_only 0.1240
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 VAL 1.423 0.252 16 0 "[ . 1 . 2]"
1 3 ILE 4.577 0.681 10 1 "[ . + . 2]"
1 4 ILE 2.329 0.146 6 0 "[ . 1 . 2]"
1 5 LYS 10.928 0.486 11 0 "[ . 1 . 2]"
1 6 PRO 10.640 0.371 16 0 "[ . 1 . 2]"
1 7 GLN 2.906 0.312 13 0 "[ . 1 . 2]"
1 8 VAL 7.193 0.652 5 2 "[ + 1 . - 2]"
1 9 SER 6.756 0.652 5 3 "[ + 1 - * 2]"
1 10 GLY 4.295 0.345 15 0 "[ . 1 . 2]"
1 11 VAL 8.204 0.546 20 2 "[ . 1 - . +]"
1 12 ILE 5.707 0.511 13 1 "[ . 1 + . 2]"
1 13 VAL 6.408 0.621 16 1 "[ . 1 .+ 2]"
1 14 ASN 5.575 0.621 16 2 "[ - . 1 .+ 2]"
1 15 LYS 4.108 0.927 10 2 "[ . + . - 2]"
1 16 LEU 2.212 0.736 17 1 "[ . 1 . + 2]"
1 17 PHE 12.347 0.992 17 2 "[ . 1 . + -]"
1 18 LYS 8.170 0.919 20 2 "[ . 1 . * +]"
1 19 ALA 11.282 0.907 20 2 "[ . - . +]"
1 20 GLY 2.803 0.324 20 0 "[ . 1 . 2]"
1 21 ASP 5.797 0.475 11 0 "[ . 1 . 2]"
1 22 LYS 6.391 0.475 11 0 "[ . 1 . 2]"
1 23 VAL 2.289 0.250 14 0 "[ . 1 . 2]"
1 24 LYS 18.439 0.796 15 9 "[ *.* *-1 *+* **2]"
1 25 LYS 16.609 0.743 10 9 "[ ** *-+ **. **2]"
1 26 GLY 6.644 0.391 2 0 "[ . 1 . 2]"
1 27 GLN 0.385 0.175 13 0 "[ . 1 . 2]"
1 28 THR 1.371 0.431 15 0 "[ . 1 . 2]"
1 29 LEU 9.487 0.992 17 6 "[ *.* -*1 .*+ 2]"
1 30 PHE 7.552 0.342 17 0 "[ . 1 . 2]"
1 31 ILE 5.760 0.601 3 2 "[ +*. 1 . 2]"
1 32 ILE 5.824 0.601 3 2 "[ +-. 1 . 2]"
1 33 GLU 7.953 0.608 4 3 "[ +. 1 - .* 2]"
1 34 GLN 3.997 0.256 13 0 "[ . 1 . 2]"
1 35 ASP 1.876 0.256 13 0 "[ . 1 . 2]"
1 36 GLN 10.177 0.716 20 1 "[ . 1 . +]"
1 37 ALA 11.511 0.963 14 4 "[ . * - +. *]"
1 38 SER 9.709 0.963 14 5 "[ * . * - +. *]"
1 39 LYS 14.854 0.716 20 6 "[ *-. *** . +]"
1 40 ASP 1.568 0.414 4 0 "[ . 1 . 2]"
1 41 PHE 8.050 0.593 9 1 "[ . +1 . 2]"
1 42 ASN 6.877 0.733 19 5 "[* . *-* . +2]"
1 43 ARG 8.395 0.733 19 5 "[* . *-* . +2]"
1 44 SER 1.639 0.661 18 2 "[ . 1 . +-2]"
1 45 LYS 8.053 0.898 15 4 "[ *. 1- + *2]"
1 46 ALA 6.540 0.898 15 5 "[ *. 1* + - *2]"
1 47 LEU 3.825 0.661 18 3 "[ . 1 . *+-2]"
1 48 PHE 1.728 0.297 5 0 "[ . 1 . 2]"
1 49 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 GLN 2.673 0.809 6 4 "[* - .+* 1 . 2]"
1 51 SER 2.692 0.809 6 4 "[* - .+* 1 . 2]"
1 52 ALA 1.932 0.285 13 0 "[ . 1 . 2]"
1 53 ILE 6.204 0.556 13 1 "[ . 1 + . 2]"
1 54 SER 0.688 0.132 16 0 "[ . 1 . 2]"
1 55 GLN 2.490 0.437 15 0 "[ . 1 . 2]"
1 56 LYS 2.921 0.437 15 0 "[ . 1 . 2]"
1 57 GLU 7.348 0.676 17 2 "[ -. 1 . + 2]"
1 58 TYR 9.595 0.642 4 2 "[ +. 1 - . 2]"
1 59 ASP 0.288 0.208 18 0 "[ . 1 . 2]"
1 60 SER 4.231 0.482 10 0 "[ . 1 . 2]"
1 61 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 LEU 7.105 1.177 18 1 "[ . 1 . + 2]"
1 63 ALA 2.496 1.177 18 1 "[ . 1 . + 2]"
1 64 THR 3.762 0.361 11 0 "[ . 1 . 2]"
1 65 LEU 4.957 0.371 7 0 "[ . 1 . 2]"
1 66 ASP 3.422 0.267 14 0 "[ . 1 . 2]"
1 67 HIS 1.830 0.569 4 1 "[ +. 1 . 2]"
1 68 THR 5.199 0.608 4 1 "[ +. 1 . 2]"
1 69 GLU 0.008 0.005 13 0 "[ . 1 . 2]"
1 70 ILE 7.058 0.265 17 0 "[ . 1 . 2]"
1 71 LYS 4.487 0.657 2 2 "[ + . 1 - . 2]"
1 72 ALA 0.780 0.246 15 0 "[ . 1 . 2]"
1 73 PRO 0.689 0.098 2 0 "[ . 1 . 2]"
1 74 PHE 5.628 0.754 2 3 "[ + . * - . 2]"
1 75 ASP 11.411 0.754 2 5 "[ + * * * - . 2]"
1 76 GLY 2.704 0.333 15 0 "[ . 1 . 2]"
1 77 THR 2.613 0.296 2 0 "[ . 1 . 2]"
1 78 ILE 1.714 0.271 16 0 "[ . 1 . 2]"
1 79 GLY 1.653 0.620 13 1 "[ . 1 + . 2]"
1 80 ASP 6.099 0.907 20 3 "[ . * - . +]"
1 81 ALA 1.325 0.259 13 0 "[ . 1 . 2]"
1 82 LEU 2.913 0.818 19 2 "[ . 1 - . +2]"
1 83 VAL 0.964 0.210 12 0 "[ . 1 . 2]"
1 84 ASN 1.749 0.594 6 2 "[ .+ 1 . - 2]"
1 85 ILE 12.466 0.658 17 3 "[ .* 1 - . + 2]"
1 86 GLY 1.499 0.152 6 0 "[ . 1 . 2]"
1 87 ASP 2.699 0.145 13 0 "[ . 1 . 2]"
1 88 TYR 1.307 0.119 17 0 "[ . 1 . 2]"
1 89 VAL 4.784 0.510 15 1 "[ . 1 + 2]"
1 90 SER 8.884 0.460 18 0 "[ . 1 . 2]"
1 91 ALA 1.497 0.185 15 0 "[ . 1 . 2]"
1 92 SER 6.816 0.486 11 0 "[ . 1 . 2]"
1 93 THR 13.921 0.472 13 0 "[ . 1 . 2]"
1 94 THR 9.273 0.371 16 0 "[ . 1 . 2]"
1 95 GLU 11.032 0.472 13 0 "[ . 1 . 2]"
1 96 LEU 16.936 0.818 19 2 "[ . 1 - . +2]"
1 97 VAL 13.404 0.472 4 0 "[ . 1 . 2]"
1 98 ARG 4.816 0.681 10 2 "[ . -+ . 2]"
1 99 VAL 2.638 0.650 9 1 "[ . +1 . 2]"
1 100 THR 2.723 0.296 2 0 "[ . 1 . 2]"
1 101 ASN 1.933 0.238 10 0 "[ . 1 . 2]"
1 102 LEU 0.882 0.194 19 0 "[ . 1 . 2]"
1 103 ASN 2.084 0.133 12 0 "[ . 1 . 2]"
1 104 PRO 6.922 0.478 7 0 "[ . 1 . 2]"
1 105 ILE 12.037 0.656 7 8 "[ . +**** * *-]"
1 106 TYR 9.035 0.656 7 8 "[ . +**** * *-]"
1 107 ALA 3.829 0.916 2 4 "[ + . -1* .* 2]"
1 108 ASP 3.302 0.916 2 4 "[ + . -1* .* 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 VAL H 1 99 VAL H . . 4.810 3.676 2.549 4.246 . 0 0 "[ . 1 . 2]" 1
2 1 2 VAL H 1 99 VAL QG . . 5.500 3.646 1.894 4.394 . 0 0 "[ . 1 . 2]" 1
3 1 2 VAL HA 1 3 ILE H . . 2.970 2.289 2.202 2.447 . 0 0 "[ . 1 . 2]" 1
4 1 2 VAL HA 1 3 ILE HG13 . . 5.000 3.631 3.372 5.070 0.070 4 0 "[ . 1 . 2]" 1
5 1 2 VAL HB 1 3 ILE H . . 3.980 3.797 2.499 4.010 0.030 15 0 "[ . 1 . 2]" 1
6 1 2 VAL HB 1 74 PHE QE . . 3.690 3.170 2.014 3.716 0.026 7 0 "[ . 1 . 2]" 1
7 1 2 VAL HB 1 99 VAL H . . 4.960 4.247 3.483 5.212 0.252 16 0 "[ . 1 . 2]" 1
8 1 2 VAL HB 1 99 VAL HB . . 4.500 4.054 2.944 4.624 0.124 9 0 "[ . 1 . 2]" 1
9 1 2 VAL HB 1 99 VAL QG . . 4.350 3.311 1.904 4.370 0.020 7 0 "[ . 1 . 2]" 1
10 1 2 VAL QG 1 3 ILE H . . 4.010 2.086 1.900 3.159 . 0 0 "[ . 1 . 2]" 1
11 1 2 VAL QG 1 74 PHE QE . . 3.660 2.345 1.840 2.856 . 0 0 "[ . 1 . 2]" 1
12 1 2 VAL QG 1 4 ILE HA . . 4.400 3.947 3.386 4.491 0.091 10 0 "[ . 1 . 2]" 1
13 1 2 VAL QG 1 4 ILE HG13 . . 4.230 3.905 3.003 4.213 . 0 0 "[ . 1 . 2]" 1
14 1 2 VAL QG 1 73 PRO HG2 . . 4.010 3.458 2.506 4.016 0.006 2 0 "[ . 1 . 2]" 1
15 1 2 VAL QG 1 98 ARG HA . . 5.130 4.597 3.490 5.087 . 0 0 "[ . 1 . 2]" 1
16 1 2 VAL QG 1 99 VAL H . . 5.290 3.552 2.214 4.290 . 0 0 "[ . 1 . 2]" 1
17 1 3 ILE H 1 3 ILE HB . . 3.550 2.623 2.428 2.788 . 0 0 "[ . 1 . 2]" 1
18 1 3 ILE H 1 3 ILE HG13 . . 4.220 2.760 2.370 3.735 . 0 0 "[ . 1 . 2]" 1
19 1 3 ILE H 1 3 ILE HG12 . . 4.590 3.697 2.926 4.289 . 0 0 "[ . 1 . 2]" 1
20 1 3 ILE H 1 3 ILE MD . . 4.340 4.047 3.814 4.252 . 0 0 "[ . 1 . 2]" 1
21 1 3 ILE H 1 98 ARG HA . . 5.310 4.786 4.521 5.069 . 0 0 "[ . 1 . 2]" 1
22 1 3 ILE HA 1 3 ILE HG13 . . 4.020 3.162 2.781 3.678 . 0 0 "[ . 1 . 2]" 1
23 1 3 ILE HA 1 3 ILE HG12 . . 4.230 2.501 2.394 2.585 . 0 0 "[ . 1 . 2]" 1
24 1 3 ILE HA 1 3 ILE MD . . 4.310 3.722 2.416 3.828 . 0 0 "[ . 1 . 2]" 1
25 1 3 ILE HA 1 4 ILE HA . . 5.270 4.376 4.348 4.453 . 0 0 "[ . 1 . 2]" 1
26 1 3 ILE HA 1 4 ILE HG13 . . 4.260 3.827 3.555 4.060 . 0 0 "[ . 1 . 2]" 1
27 1 3 ILE HA 1 4 ILE HG12 . . 5.250 5.203 5.024 5.281 0.031 7 0 "[ . 1 . 2]" 1
28 1 3 ILE HA 1 4 ILE MD . . 5.350 5.036 4.675 5.323 . 0 0 "[ . 1 . 2]" 1
29 1 3 ILE HA 1 95 GLU QB . . 5.500 4.991 4.754 5.305 . 0 0 "[ . 1 . 2]" 1
30 1 3 ILE HA 1 98 ARG H . . 5.350 4.701 4.456 4.967 . 0 0 "[ . 1 . 2]" 1
31 1 3 ILE HA 1 98 ARG HA . . 3.680 1.948 1.845 2.152 . 0 0 "[ . 1 . 2]" 1
32 1 3 ILE HA 1 98 ARG QG . . 4.890 4.146 2.536 4.554 . 0 0 "[ . 1 . 2]" 1
33 1 3 ILE HA 1 99 VAL H . . 3.870 2.766 2.266 3.401 . 0 0 "[ . 1 . 2]" 1
34 1 3 ILE HB 1 3 ILE MD . . 3.490 2.455 2.308 3.165 . 0 0 "[ . 1 . 2]" 1
35 1 3 ILE HB 1 5 LYS QE . . 4.820 2.969 2.094 3.879 . 0 0 "[ . 1 . 2]" 1
36 1 3 ILE HB 1 95 GLU HA . . 5.500 5.132 4.480 5.554 0.054 3 0 "[ . 1 . 2]" 1
37 1 3 ILE HB 1 98 ARG HA . . 5.200 4.726 4.495 4.999 . 0 0 "[ . 1 . 2]" 1
38 1 3 ILE HG13 1 4 ILE H . . 5.080 5.098 4.844 5.226 0.146 6 0 "[ . 1 . 2]" 1
39 1 3 ILE HG12 1 4 ILE H . . 4.470 4.371 4.201 4.545 0.075 4 0 "[ . 1 . 2]" 1
40 1 3 ILE HG12 1 98 ARG HA . . 5.010 3.535 2.606 4.052 . 0 0 "[ . 1 . 2]" 1
41 1 3 ILE HG12 1 98 ARG HB2 . . 3.930 2.493 1.965 3.216 . 0 0 "[ . 1 . 2]" 1
42 1 3 ILE HG12 1 98 ARG HB3 . . 4.820 2.669 2.021 4.207 . 0 0 "[ . 1 . 2]" 1
43 1 3 ILE HG12 1 98 ARG HD2 . . 5.410 4.217 2.173 5.309 . 0 0 "[ . 1 . 2]" 1
44 1 3 ILE HG12 1 98 ARG QG . . 4.600 3.791 1.881 4.442 . 0 0 "[ . 1 . 2]" 1
45 1 3 ILE HG12 1 99 VAL H . . 5.500 4.450 3.991 4.980 . 0 0 "[ . 1 . 2]" 1
46 1 3 ILE MD 1 95 GLU QG . . 5.370 3.778 3.429 4.062 . 0 0 "[ . 1 . 2]" 1
47 1 3 ILE MD 1 98 ARG HA . . 4.620 4.591 3.072 4.824 0.204 20 0 "[ . 1 . 2]" 1
48 1 3 ILE MD 1 98 ARG HB3 . . 4.850 3.508 1.910 5.197 0.347 10 0 "[ . 1 . 2]" 1
49 1 3 ILE MD 1 98 ARG HD2 . . 4.630 4.466 3.224 5.311 0.681 10 1 "[ . + . 2]" 1
50 1 3 ILE MG 1 4 ILE H . . 4.010 2.472 2.031 3.217 . 0 0 "[ . 1 . 2]" 1
51 1 3 ILE MG 1 5 LYS HG2 . . 5.390 3.552 2.470 4.420 . 0 0 "[ . 1 . 2]" 1
52 1 3 ILE MG 1 5 LYS QE . . 3.880 2.144 1.882 3.037 . 0 0 "[ . 1 . 2]" 1
53 1 3 ILE MG 1 95 GLU H . . 4.640 4.590 4.310 4.795 0.155 4 0 "[ . 1 . 2]" 1
54 1 3 ILE MG 1 95 GLU HA . . 3.970 2.767 2.170 3.220 . 0 0 "[ . 1 . 2]" 1
55 1 3 ILE MG 1 95 GLU QB . . 4.070 1.948 1.827 2.309 . 0 0 "[ . 1 . 2]" 1
56 1 3 ILE MG 1 95 GLU QG . . 4.010 3.518 2.445 3.838 . 0 0 "[ . 1 . 2]" 1
57 1 3 ILE MG 1 96 LEU H . . 4.910 3.918 2.984 4.922 0.012 15 0 "[ . 1 . 2]" 1
58 1 3 ILE MG 1 97 VAL H . . 4.120 3.596 3.292 4.135 0.015 2 0 "[ . 1 . 2]" 1
59 1 3 ILE MG 1 98 ARG HA . . 4.380 2.877 2.401 3.557 . 0 0 "[ . 1 . 2]" 1
60 1 4 ILE H 1 4 ILE HB . . 3.650 2.469 2.382 2.613 . 0 0 "[ . 1 . 2]" 1
61 1 4 ILE H 1 4 ILE HG13 . . 4.100 2.515 1.936 2.994 . 0 0 "[ . 1 . 2]" 1
62 1 4 ILE H 1 4 ILE HG12 . . 4.280 3.728 3.298 4.095 . 0 0 "[ . 1 . 2]" 1
63 1 4 ILE H 1 4 ILE MD . . 4.730 3.746 3.335 4.102 . 0 0 "[ . 1 . 2]" 1
64 1 4 ILE H 1 4 ILE MG . . 4.560 3.756 3.692 3.799 . 0 0 "[ . 1 . 2]" 1
65 1 4 ILE H 1 5 LYS H . . 5.220 4.396 4.155 4.602 . 0 0 "[ . 1 . 2]" 1
66 1 4 ILE H 1 96 LEU QD . . 5.500 4.414 3.796 5.183 . 0 0 "[ . 1 . 2]" 1
67 1 4 ILE H 1 97 VAL H . . 4.980 4.183 3.627 4.695 . 0 0 "[ . 1 . 2]" 1
68 1 4 ILE H 1 97 VAL QG . . 4.580 3.437 3.051 4.210 . 0 0 "[ . 1 . 2]" 1
69 1 4 ILE H 1 98 ARG HA . . 4.180 2.163 1.900 2.882 . 0 0 "[ . 1 . 2]" 1
70 1 4 ILE H 1 99 VAL H . . 5.210 3.554 2.907 4.238 . 0 0 "[ . 1 . 2]" 1
71 1 4 ILE HA 1 5 LYS H . . 3.160 2.154 2.139 2.192 . 0 0 "[ . 1 . 2]" 1
72 1 4 ILE HA 1 5 LYS HA . . 5.500 4.393 4.381 4.413 . 0 0 "[ . 1 . 2]" 1
73 1 4 ILE HB 1 5 LYS H . . 4.490 4.319 4.043 4.481 . 0 0 "[ . 1 . 2]" 1
74 1 4 ILE HB 1 78 ILE MD . . 5.500 4.007 3.103 4.543 . 0 0 "[ . 1 . 2]" 1
75 1 4 ILE HB 1 96 LEU QD . . 4.710 3.366 2.289 3.828 . 0 0 "[ . 1 . 2]" 1
76 1 4 ILE HB 1 97 VAL H . . 4.350 3.769 3.094 4.367 0.017 7 0 "[ . 1 . 2]" 1
77 1 4 ILE HB 1 97 VAL QG . . 3.870 2.282 1.848 3.794 . 0 0 "[ . 1 . 2]" 1
78 1 4 ILE HG13 1 5 LYS H . . 5.250 5.002 4.901 5.114 . 0 0 "[ . 1 . 2]" 1
79 1 4 ILE HG13 1 97 VAL QG . . 4.710 3.479 2.921 4.132 . 0 0 "[ . 1 . 2]" 1
80 1 4 ILE HG13 1 99 VAL H . . 4.700 3.396 2.800 4.216 . 0 0 "[ . 1 . 2]" 1
81 1 4 ILE HG12 1 5 LYS H . . 4.580 4.392 4.169 4.586 0.006 19 0 "[ . 1 . 2]" 1
82 1 4 ILE MD 1 5 LYS H . . 5.360 5.195 4.837 5.384 0.024 16 0 "[ . 1 . 2]" 1
83 1 4 ILE MD 1 70 ILE MG . . 4.070 3.847 3.125 4.140 0.070 5 0 "[ . 1 . 2]" 1
84 1 4 ILE MD 1 72 ALA H . . 5.500 4.570 3.675 5.350 . 0 0 "[ . 1 . 2]" 1
85 1 4 ILE MD 1 72 ALA HA . . 3.910 2.819 2.075 3.569 . 0 0 "[ . 1 . 2]" 1
86 1 4 ILE MD 1 72 ALA MB . . 3.680 2.564 1.925 3.703 0.023 13 0 "[ . 1 . 2]" 1
87 1 4 ILE MD 1 73 PRO HD2 . . 4.240 2.836 2.139 3.494 . 0 0 "[ . 1 . 2]" 1
88 1 4 ILE MD 1 73 PRO HD3 . . 4.230 3.324 2.593 4.081 . 0 0 "[ . 1 . 2]" 1
89 1 4 ILE MD 1 74 PHE H . . 5.390 4.935 4.107 5.495 0.105 13 0 "[ . 1 . 2]" 1
90 1 4 ILE MD 1 78 ILE HA . . 5.500 4.194 3.725 4.996 . 0 0 "[ . 1 . 2]" 1
91 1 4 ILE MD 1 78 ILE MD . . 3.770 2.170 1.846 2.819 . 0 0 "[ . 1 . 2]" 1
92 1 4 ILE MD 1 99 VAL H . . 5.500 4.172 3.549 5.101 . 0 0 "[ . 1 . 2]" 1
93 1 4 ILE HG12 1 4 ILE MG . . 3.540 2.378 2.257 2.483 . 0 0 "[ . 1 . 2]" 1
94 1 4 ILE MD 1 4 ILE MG . . 3.350 1.976 1.868 2.197 . 0 0 "[ . 1 . 2]" 1
95 1 4 ILE MG 1 5 LYS H . . 3.950 2.767 2.072 3.142 . 0 0 "[ . 1 . 2]" 1
96 1 4 ILE MG 1 5 LYS HA . . 5.170 3.510 3.344 3.708 . 0 0 "[ . 1 . 2]" 1
97 1 4 ILE MG 1 96 LEU QD . . 3.740 2.735 1.937 3.396 . 0 0 "[ . 1 . 2]" 1
98 1 4 ILE MG 1 97 VAL H . . 4.480 4.390 4.059 4.582 0.102 18 0 "[ . 1 . 2]" 1
99 1 5 LYS H 1 5 LYS QB . . 3.800 2.801 2.437 3.203 . 0 0 "[ . 1 . 2]" 1
100 1 5 LYS H 1 5 LYS HG2 . . 5.500 3.402 1.928 4.794 . 0 0 "[ . 1 . 2]" 1
101 1 5 LYS H 1 5 LYS QE . . 5.500 4.941 4.239 5.479 . 0 0 "[ . 1 . 2]" 1
102 1 5 LYS HA 1 5 LYS HD2 . . 5.500 3.763 2.200 4.626 . 0 0 "[ . 1 . 2]" 1
103 1 5 LYS HA 1 5 LYS HD3 . . 5.060 4.193 2.140 5.045 . 0 0 "[ . 1 . 2]" 1
104 1 5 LYS HA 1 5 LYS QE . . 4.720 4.310 3.285 4.841 0.121 8 0 "[ . 1 . 2]" 1
105 1 5 LYS HA 1 6 PRO HB2 . . 5.480 5.609 5.528 5.663 0.183 7 0 "[ . 1 . 2]" 1
106 1 5 LYS HA 1 6 PRO HD3 . . 4.070 2.322 2.260 2.379 . 0 0 "[ . 1 . 2]" 1
107 1 5 LYS HA 1 6 PRO HG2 . . 5.410 4.550 4.394 4.647 . 0 0 "[ . 1 . 2]" 1
108 1 5 LYS HA 1 6 PRO HG3 . . 5.150 4.502 4.392 4.580 . 0 0 "[ . 1 . 2]" 1
109 1 5 LYS HA 1 94 THR H . . 5.440 5.547 5.296 5.677 0.237 3 0 "[ . 1 . 2]" 1
110 1 5 LYS HA 1 95 GLU HA . . 4.880 3.849 3.172 4.546 . 0 0 "[ . 1 . 2]" 1
111 1 5 LYS HA 1 96 LEU H . . 5.140 3.983 3.377 4.822 . 0 0 "[ . 1 . 2]" 1
112 1 5 LYS HA 1 96 LEU HG . . 4.580 4.563 3.616 4.872 0.292 18 0 "[ . 1 . 2]" 1
113 1 5 LYS HA 1 96 LEU QD . . 4.350 2.513 2.034 3.697 . 0 0 "[ . 1 . 2]" 1
114 1 5 LYS HA 1 97 VAL H . . 5.350 4.975 4.448 5.448 0.098 10 0 "[ . 1 . 2]" 1
115 1 5 LYS QB 1 6 PRO HD3 . . 4.950 3.296 3.130 3.637 . 0 0 "[ . 1 . 2]" 1
116 1 5 LYS QB 1 6 PRO HD2 . . 4.580 1.977 1.819 2.347 . 0 0 "[ . 1 . 2]" 1
117 1 5 LYS QB 1 6 PRO HG2 . . 5.500 3.681 3.514 3.994 . 0 0 "[ . 1 . 2]" 1
118 1 5 LYS QB 1 92 SER H . . 4.980 4.410 3.662 4.826 . 0 0 "[ . 1 . 2]" 1
119 1 5 LYS QB 1 92 SER HA . . 4.110 1.984 1.831 2.354 . 0 0 "[ . 1 . 2]" 1
120 1 5 LYS QB 1 96 LEU QD . . 5.500 3.660 3.083 4.865 . 0 0 "[ . 1 . 2]" 1
121 1 5 LYS HD2 1 92 SER QB . . 5.430 4.739 1.925 5.916 0.486 11 0 "[ . 1 . 2]" 1
122 1 5 LYS HD3 1 95 GLU HA . . 5.240 4.320 2.195 5.500 0.260 15 0 "[ . 1 . 2]" 1
123 1 5 LYS HG2 1 6 PRO HD3 . . 5.500 4.872 3.836 5.537 0.037 20 0 "[ . 1 . 2]" 1
124 1 5 LYS HG2 1 95 GLU HA . . 5.310 3.842 2.018 5.625 0.315 15 0 "[ . 1 . 2]" 1
125 1 5 LYS QE 1 5 LYS HG3 . . 3.650 2.606 2.152 3.196 . 0 0 "[ . 1 . 2]" 1
126 1 5 LYS QE 1 92 SER HA . . 5.500 4.126 2.523 5.311 . 0 0 "[ . 1 . 2]" 1
127 1 5 LYS QE 1 93 THR H . . 5.500 4.958 4.356 5.508 0.008 4 0 "[ . 1 . 2]" 1
128 1 5 LYS QE 1 93 THR HA . . 4.520 3.778 2.623 4.394 . 0 0 "[ . 1 . 2]" 1
129 1 5 LYS QE 1 93 THR MG . . 5.500 4.859 3.892 5.619 0.119 15 0 "[ . 1 . 2]" 1
130 1 5 LYS QE 1 95 GLU H . . 4.700 3.706 2.987 4.483 . 0 0 "[ . 1 . 2]" 1
131 1 5 LYS QE 1 95 GLU HA . . 4.110 2.714 1.935 3.372 . 0 0 "[ . 1 . 2]" 1
132 1 5 LYS QE 1 95 GLU QG . . 4.050 3.097 1.945 3.760 . 0 0 "[ . 1 . 2]" 1
133 1 5 LYS QE 1 96 LEU H . . 5.330 4.673 3.732 5.344 0.014 3 0 "[ . 1 . 2]" 1
134 1 6 PRO HA 1 32 ILE MD . . 4.890 3.567 2.265 3.970 . 0 0 "[ . 1 . 2]" 1
135 1 6 PRO HA 1 70 ILE MD . . 4.170 3.555 2.464 4.142 . 0 0 "[ . 1 . 2]" 1
136 1 6 PRO HA 1 8 VAL H . . 4.550 4.024 3.589 4.300 . 0 0 "[ . 1 . 2]" 1
137 1 6 PRO HB2 1 32 ILE HG12 . . 5.500 5.275 4.264 5.547 0.047 18 0 "[ . 1 . 2]" 1
138 1 6 PRO HB2 1 32 ILE MD . . 4.350 2.739 2.374 3.091 . 0 0 "[ . 1 . 2]" 1
139 1 6 PRO HB2 1 8 VAL H . . 3.800 2.273 2.117 2.867 . 0 0 "[ . 1 . 2]" 1
140 1 6 PRO HB2 1 8 VAL MG1 . . 5.500 4.933 4.653 5.419 . 0 0 "[ . 1 . 2]" 1
141 1 6 PRO HB2 1 8 VAL MG2 . . 4.570 3.176 2.636 3.660 . 0 0 "[ . 1 . 2]" 1
142 1 6 PRO HB2 1 91 ALA HA . . 4.890 4.080 3.327 4.702 . 0 0 "[ . 1 . 2]" 1
143 1 6 PRO HB2 1 94 THR MG . . 5.500 4.849 3.997 5.680 0.180 19 0 "[ . 1 . 2]" 1
144 1 6 PRO HB3 1 32 ILE MD . . 4.070 1.890 1.754 2.040 . 0 0 "[ . 1 . 2]" 1
145 1 6 PRO HB3 1 70 ILE HG12 . . 4.570 2.797 2.054 4.437 . 0 0 "[ . 1 . 2]" 1
146 1 6 PRO HB3 1 70 ILE MD . . 4.220 2.801 2.019 4.210 . 0 0 "[ . 1 . 2]" 1
147 1 6 PRO HB3 1 8 VAL H . . 4.220 3.943 3.820 4.493 0.273 13 0 "[ . 1 . 2]" 1
148 1 6 PRO HD3 1 94 THR HB . . 4.980 4.533 3.354 5.351 0.371 16 0 "[ . 1 . 2]" 1
149 1 6 PRO HD3 1 94 THR MG . . 3.760 2.921 2.203 3.843 0.083 13 0 "[ . 1 . 2]" 1
150 1 6 PRO HD3 1 96 LEU H . . 5.480 4.454 3.705 5.278 . 0 0 "[ . 1 . 2]" 1
151 1 6 PRO HD3 1 96 LEU HG . . 5.500 4.170 3.828 4.873 . 0 0 "[ . 1 . 2]" 1
152 1 6 PRO HD3 1 96 LEU QD . . 4.590 2.148 1.822 2.754 . 0 0 "[ . 1 . 2]" 1
153 1 6 PRO HD2 1 8 VAL H . . 5.500 5.422 4.281 5.647 0.147 8 0 "[ . 1 . 2]" 1
154 1 6 PRO HD2 1 92 SER H . . 5.500 4.999 3.867 5.470 . 0 0 "[ . 1 . 2]" 1
155 1 6 PRO HD2 1 93 THR H . . 5.410 4.989 4.709 5.221 . 0 0 "[ . 1 . 2]" 1
156 1 6 PRO HD2 1 94 THR H . . 5.500 3.753 3.450 4.081 . 0 0 "[ . 1 . 2]" 1
157 1 6 PRO HD2 1 94 THR HB . . 4.470 4.050 2.997 4.781 0.311 1 0 "[ . 1 . 2]" 1
158 1 6 PRO HD2 1 94 THR MG . . 5.260 2.937 1.828 4.960 . 0 0 "[ . 1 . 2]" 1
159 1 6 PRO HD2 1 96 LEU H . . 5.500 5.010 4.491 5.516 0.016 10 0 "[ . 1 . 2]" 1
160 1 6 PRO HD2 1 96 LEU QD . . 4.690 3.113 2.626 3.838 . 0 0 "[ . 1 . 2]" 1
161 1 6 PRO HG2 1 8 VAL H . . 4.510 3.534 2.509 3.935 . 0 0 "[ . 1 . 2]" 1
162 1 6 PRO HG2 1 8 VAL MG2 . . 4.890 4.755 3.992 4.971 0.081 1 0 "[ . 1 . 2]" 1
163 1 6 PRO HG2 1 91 ALA HA . . 4.390 3.066 2.105 3.588 . 0 0 "[ . 1 . 2]" 1
164 1 6 PRO HG2 1 91 ALA MB . . 4.790 4.295 3.671 4.613 . 0 0 "[ . 1 . 2]" 1
165 1 6 PRO HG2 1 92 SER H . . 5.110 4.460 3.660 5.158 0.048 12 0 "[ . 1 . 2]" 1
166 1 6 PRO HG2 1 92 SER HA . . 5.500 3.582 2.465 4.488 . 0 0 "[ . 1 . 2]" 1
167 1 6 PRO HG2 1 92 SER QB . . 5.380 5.110 4.037 5.698 0.318 2 0 "[ . 1 . 2]" 1
168 1 6 PRO HG2 1 94 THR MG . . 5.210 3.434 2.294 5.101 . 0 0 "[ . 1 . 2]" 1
169 1 6 PRO HG2 1 96 LEU QD . . 5.350 4.249 3.831 4.822 . 0 0 "[ . 1 . 2]" 1
170 1 6 PRO HG3 1 32 ILE MD . . 4.820 2.321 1.865 3.715 . 0 0 "[ . 1 . 2]" 1
171 1 6 PRO HG3 1 89 VAL QG . . 4.510 2.830 2.037 3.616 . 0 0 "[ . 1 . 2]" 1
172 1 6 PRO HG3 1 8 VAL H . . 5.500 4.574 4.015 4.970 . 0 0 "[ . 1 . 2]" 1
173 1 6 PRO HG3 1 91 ALA HA . . 5.300 4.468 3.530 5.095 . 0 0 "[ . 1 . 2]" 1
174 1 6 PRO HG3 1 94 THR MG . . 5.460 2.725 1.856 3.620 . 0 0 "[ . 1 . 2]" 1
175 1 6 PRO HG3 1 96 LEU QD . . 4.580 3.321 2.857 3.947 . 0 0 "[ . 1 . 2]" 1
176 1 6 PRO HG3 1 9 SER HA . . 5.500 4.970 4.656 5.539 0.039 17 0 "[ . 1 . 2]" 1
177 1 7 GLN H 1 7 GLN HG3 . . 5.500 3.980 2.337 4.931 . 0 0 "[ . 1 . 2]" 1
178 1 7 GLN H 1 7 GLN HG2 . . 5.500 3.690 2.003 5.194 . 0 0 "[ . 1 . 2]" 1
179 1 7 GLN H 1 8 VAL H . . 4.890 2.363 1.933 3.367 . 0 0 "[ . 1 . 2]" 1
180 1 7 GLN HA 1 7 GLN HG3 . . 3.930 3.071 2.217 4.241 0.311 16 0 "[ . 1 . 2]" 1
181 1 7 GLN HA 1 8 VAL MG1 . . 5.430 4.212 4.024 4.488 . 0 0 "[ . 1 . 2]" 1
182 1 7 GLN HA 1 91 ALA HA . . 5.500 4.764 3.195 5.589 0.089 14 0 "[ . 1 . 2]" 1
183 1 7 GLN HB2 1 68 THR MG . . 5.500 4.438 3.124 5.567 0.067 16 0 "[ . 1 . 2]" 1
184 1 7 GLN HB2 1 7 GLN HE22 . . 5.500 3.954 3.292 5.282 . 0 0 "[ . 1 . 2]" 1
185 1 7 GLN HB2 1 8 VAL H . . 5.050 4.220 3.570 4.372 . 0 0 "[ . 1 . 2]" 1
186 1 7 GLN HB2 1 8 VAL MG1 . . 4.860 3.967 3.124 4.853 . 0 0 "[ . 1 . 2]" 1
187 1 7 GLN HB2 1 8 VAL MG2 . . 5.500 4.748 4.036 5.124 . 0 0 "[ . 1 . 2]" 1
188 1 7 GLN HB3 1 68 THR MG . . 5.500 3.738 1.963 5.513 0.013 16 0 "[ . 1 . 2]" 1
189 1 7 GLN HB3 1 8 VAL H . . 5.000 3.777 2.470 4.563 . 0 0 "[ . 1 . 2]" 1
190 1 7 GLN HB3 1 8 VAL MG1 . . 4.760 3.644 2.792 4.636 . 0 0 "[ . 1 . 2]" 1
191 1 7 GLN HB3 1 8 VAL MG2 . . 5.500 4.156 2.780 5.374 . 0 0 "[ . 1 . 2]" 1
192 1 7 GLN HE22 1 68 THR MG . . 5.010 4.271 2.879 5.042 0.032 9 0 "[ . 1 . 2]" 1
193 1 7 GLN HE21 1 68 THR MG . . 4.540 3.588 2.210 4.852 0.312 13 0 "[ . 1 . 2]" 1
194 1 7 GLN HG3 1 68 THR MG . . 5.200 4.433 2.511 5.339 0.139 15 0 "[ . 1 . 2]" 1
195 1 7 GLN HG3 1 8 VAL H . . 5.270 4.367 2.826 4.906 . 0 0 "[ . 1 . 2]" 1
196 1 7 GLN HG3 1 8 VAL MG1 . . 4.280 3.301 1.948 4.300 0.020 8 0 "[ . 1 . 2]" 1
197 1 7 GLN HG3 1 8 VAL MG2 . . 5.310 4.476 2.718 5.478 0.168 18 0 "[ . 1 . 2]" 1
198 1 7 GLN HG2 1 68 THR MG . . 4.590 3.725 2.036 4.604 0.014 13 0 "[ . 1 . 2]" 1
199 1 7 GLN HG2 1 8 VAL H . . 5.000 4.068 2.273 5.035 0.035 12 0 "[ . 1 . 2]" 1
200 1 7 GLN HG2 1 8 VAL MG1 . . 3.930 2.929 2.194 3.644 . 0 0 "[ . 1 . 2]" 1
201 1 8 VAL H 1 32 ILE MG . . 5.500 4.621 4.334 5.030 . 0 0 "[ . 1 . 2]" 1
202 1 8 VAL H 1 34 GLN QE . . 5.500 5.060 4.563 5.461 . 0 0 "[ . 1 . 2]" 1
203 1 8 VAL H 1 8 VAL MG1 . . 4.150 3.173 2.775 3.438 . 0 0 "[ . 1 . 2]" 1
204 1 8 VAL H 1 8 VAL MG2 . . 3.730 2.211 1.916 2.396 . 0 0 "[ . 1 . 2]" 1
205 1 8 VAL H 1 91 ALA HA . . 4.800 3.487 2.600 4.060 . 0 0 "[ . 1 . 2]" 1
206 1 8 VAL H 1 91 ALA MB . . 4.690 4.305 3.349 4.776 0.086 13 0 "[ . 1 . 2]" 1
207 1 8 VAL H 1 9 SER H . . 4.980 4.391 4.333 4.438 . 0 0 "[ . 1 . 2]" 1
208 1 8 VAL HA 1 36 GLN QE . . 5.500 4.715 2.520 5.523 0.023 16 0 "[ . 1 . 2]" 1
209 1 8 VAL HA 1 8 VAL MG1 . . 3.360 2.270 2.114 2.416 . 0 0 "[ . 1 . 2]" 1
210 1 8 VAL HA 1 91 ALA MB . . 3.610 3.237 2.337 3.702 0.092 5 0 "[ . 1 . 2]" 1
211 1 8 VAL HA 1 9 SER H . . 3.180 2.504 2.261 2.650 . 0 0 "[ . 1 . 2]" 1
212 1 8 VAL HB 1 34 GLN QE . . 5.500 3.927 3.070 4.879 . 0 0 "[ . 1 . 2]" 1
213 1 8 VAL HB 1 34 GLN QG . . 3.930 2.781 1.982 3.984 0.054 14 0 "[ . 1 . 2]" 1
214 1 8 VAL HB 1 9 SER H . . 3.360 2.188 1.931 2.764 . 0 0 "[ . 1 . 2]" 1
215 1 8 VAL HB 1 9 SER HB3 . . 5.500 5.342 4.651 6.152 0.652 5 1 "[ + 1 . 2]" 1
216 1 8 VAL MG1 1 34 GLN QB . . 5.060 4.170 2.866 4.711 . 0 0 "[ . 1 . 2]" 1
217 1 8 VAL MG1 1 34 GLN QE . . 4.630 3.837 3.279 4.176 . 0 0 "[ . 1 . 2]" 1
218 1 8 VAL MG1 1 34 GLN QG . . 4.150 2.980 2.073 3.740 . 0 0 "[ . 1 . 2]" 1
219 1 8 VAL MG1 1 36 GLN QE . . 4.500 3.264 1.839 4.357 . 0 0 "[ . 1 . 2]" 1
220 1 8 VAL MG1 1 68 THR HB . . 5.500 4.524 3.642 5.349 . 0 0 "[ . 1 . 2]" 1
221 1 8 VAL MG1 1 9 SER H . . 4.030 3.537 3.377 3.837 . 0 0 "[ . 1 . 2]" 1
222 1 8 VAL MG2 1 34 GLN HA . . 4.950 4.300 2.926 5.029 0.079 19 0 "[ . 1 . 2]" 1
223 1 8 VAL MG2 1 34 GLN QB . . 4.760 2.918 1.914 4.220 . 0 0 "[ . 1 . 2]" 1
224 1 8 VAL MG2 1 34 GLN QE . . 5.350 2.037 1.814 2.475 . 0 0 "[ . 1 . 2]" 1
225 1 8 VAL MG2 1 34 GLN QG . . 4.000 2.334 1.903 3.259 . 0 0 "[ . 1 . 2]" 1
226 1 8 VAL MG2 1 35 ASP H . . 5.500 5.231 4.499 5.582 0.082 15 0 "[ . 1 . 2]" 1
227 1 8 VAL MG2 1 68 THR HB . . 4.160 2.810 2.001 3.809 . 0 0 "[ . 1 . 2]" 1
228 1 8 VAL MG2 1 68 THR MG . . 3.820 2.818 2.097 3.683 . 0 0 "[ . 1 . 2]" 1
229 1 8 VAL MG2 1 91 ALA HA . . 5.500 4.585 4.293 4.797 . 0 0 "[ . 1 . 2]" 1
230 1 8 VAL MG2 1 9 SER H . . 4.240 3.296 2.903 3.792 . 0 0 "[ . 1 . 2]" 1
231 1 8 VAL MG2 1 9 SER HB3 . . 5.500 5.511 5.035 6.013 0.513 17 1 "[ . 1 . + 2]" 1
232 1 9 SER H 1 10 GLY H . . 5.420 4.420 4.141 4.579 . 0 0 "[ . 1 . 2]" 1
233 1 9 SER H 1 34 GLN QG . . 5.380 4.249 3.524 5.422 0.042 18 0 "[ . 1 . 2]" 1
234 1 9 SER H 1 91 ALA H . . 5.500 4.686 3.361 5.527 0.027 18 0 "[ . 1 . 2]" 1
235 1 9 SER H 1 91 ALA MB . . 4.070 3.942 3.253 4.159 0.089 16 0 "[ . 1 . 2]" 1
236 1 9 SER H 1 9 SER HB2 . . 4.160 3.243 2.425 3.779 . 0 0 "[ . 1 . 2]" 1
237 1 9 SER H 1 9 SER HB3 . . 3.840 3.224 2.258 3.782 . 0 0 "[ . 1 . 2]" 1
238 1 9 SER HA 1 10 GLY H . . 3.380 2.172 2.142 2.277 . 0 0 "[ . 1 . 2]" 1
239 1 9 SER HA 1 32 ILE MG . . 5.500 3.981 3.527 4.662 . 0 0 "[ . 1 . 2]" 1
240 1 9 SER HA 1 89 VAL HB . . 5.500 4.817 3.993 5.521 0.021 9 0 "[ . 1 . 2]" 1
241 1 9 SER HA 1 89 VAL QG . . 4.650 3.482 2.872 3.972 . 0 0 "[ . 1 . 2]" 1
242 1 9 SER HA 1 91 ALA H . . 4.390 3.180 1.913 4.139 . 0 0 "[ . 1 . 2]" 1
243 1 9 SER HA 1 91 ALA MB . . 5.000 4.064 3.581 4.448 . 0 0 "[ . 1 . 2]" 1
244 1 9 SER HB2 1 10 GLY H . . 4.080 3.670 2.985 4.425 0.345 15 0 "[ . 1 . 2]" 1
245 1 9 SER HB2 1 88 TYR QE . . 5.300 4.128 2.979 4.893 . 0 0 "[ . 1 . 2]" 1
246 1 9 SER HB2 1 89 VAL QG . . 5.470 5.112 4.071 5.980 0.510 15 1 "[ . 1 + 2]" 1
247 1 9 SER HB2 1 91 ALA H . . 5.010 3.949 1.947 5.195 0.185 15 0 "[ . 1 . 2]" 1
248 1 9 SER HB2 1 91 ALA MB . . 5.420 4.473 3.321 5.269 . 0 0 "[ . 1 . 2]" 1
249 1 9 SER HB3 1 10 GLY H . . 4.470 3.844 3.022 4.450 . 0 0 "[ . 1 . 2]" 1
250 1 9 SER HB3 1 91 ALA H . . 5.170 3.175 2.430 5.029 . 0 0 "[ . 1 . 2]" 1
251 1 10 GLY H 1 11 VAL HA . . 4.310 4.483 4.401 4.575 0.265 15 0 "[ . 1 . 2]" 1
252 1 10 GLY H 1 32 ILE MD . . 4.740 4.503 4.040 4.897 0.157 19 0 "[ . 1 . 2]" 1
253 1 10 GLY H 1 32 ILE MG . . 4.900 2.976 2.576 3.408 . 0 0 "[ . 1 . 2]" 1
254 1 10 GLY H 1 88 TYR QE . . 4.870 4.472 4.086 4.839 . 0 0 "[ . 1 . 2]" 1
255 1 10 GLY H 1 89 VAL H . . 4.090 3.286 2.875 3.598 . 0 0 "[ . 1 . 2]" 1
256 1 10 GLY H 1 89 VAL HB . . 5.280 4.481 3.937 4.999 . 0 0 "[ . 1 . 2]" 1
257 1 10 GLY H 1 89 VAL QG . . 3.980 2.341 1.844 2.969 . 0 0 "[ . 1 . 2]" 1
258 1 10 GLY QA 1 11 VAL H . . 3.490 2.121 2.109 2.157 . 0 0 "[ . 1 . 2]" 1
259 1 11 VAL H 1 11 VAL HB . . 3.410 3.048 2.809 3.956 0.546 20 2 "[ . 1 - . +]" 1
260 1 11 VAL H 1 11 VAL QG . . 3.530 2.728 2.194 2.950 . 0 0 "[ . 1 . 2]" 1
261 1 11 VAL H 1 12 ILE H . . 5.120 4.313 4.257 4.374 . 0 0 "[ . 1 . 2]" 1
262 1 11 VAL H 1 13 VAL MG2 . . 5.200 4.317 3.954 4.941 . 0 0 "[ . 1 . 2]" 1
263 1 11 VAL H 1 32 ILE HB . . 5.480 4.963 4.796 5.286 . 0 0 "[ . 1 . 2]" 1
264 1 11 VAL H 1 32 ILE HG13 . . 5.500 5.260 4.894 5.564 0.064 8 0 "[ . 1 . 2]" 1
265 1 11 VAL H 1 32 ILE MG . . 3.810 1.969 1.853 2.253 . 0 0 "[ . 1 . 2]" 1
266 1 11 VAL H 1 33 GLU H . . 4.250 2.686 2.248 2.947 . 0 0 "[ . 1 . 2]" 1
267 1 11 VAL H 1 33 GLU HB3 . . 4.830 4.275 3.426 4.995 0.165 15 0 "[ . 1 . 2]" 1
268 1 11 VAL H 1 33 GLU QG . . 4.870 3.995 2.599 5.022 0.152 6 0 "[ . 1 . 2]" 1
269 1 11 VAL H 1 88 TYR QD . . 5.500 5.219 4.775 5.470 . 0 0 "[ . 1 . 2]" 1
270 1 11 VAL H 1 89 VAL QG . . 5.410 3.637 3.198 4.257 . 0 0 "[ . 1 . 2]" 1
271 1 11 VAL HA 1 12 ILE H . . 3.370 2.203 2.164 2.266 . 0 0 "[ . 1 . 2]" 1
272 1 11 VAL HA 1 12 ILE HB . . 4.760 4.745 4.635 4.835 0.075 12 0 "[ . 1 . 2]" 1
273 1 11 VAL HA 1 12 ILE MD . . 4.770 4.476 4.214 4.782 0.012 7 0 "[ . 1 . 2]" 1
274 1 11 VAL HA 1 89 VAL H . . 5.500 2.753 1.924 3.307 . 0 0 "[ . 1 . 2]" 1
275 1 11 VAL HB 1 33 GLU H . . 4.730 4.182 3.675 5.236 0.506 13 1 "[ . 1 + . 2]" 1
276 1 11 VAL HB 1 88 TYR QD . . 5.500 4.863 2.355 5.514 0.014 6 0 "[ . 1 . 2]" 1
277 1 11 VAL QG 1 12 ILE H . . 3.720 2.279 1.916 3.313 . 0 0 "[ . 1 . 2]" 1
278 1 11 VAL QG 1 88 TYR H . . 5.410 3.179 2.594 3.950 . 0 0 "[ . 1 . 2]" 1
279 1 11 VAL QG 1 88 TYR HA . . 3.710 2.029 1.898 2.612 . 0 0 "[ . 1 . 2]" 1
280 1 11 VAL QG 1 88 TYR QB . . 4.690 2.711 2.367 3.521 . 0 0 "[ . 1 . 2]" 1
281 1 11 VAL QG 1 88 TYR QD . . 3.510 2.413 1.938 3.387 . 0 0 "[ . 1 . 2]" 1
282 1 11 VAL QG 1 89 VAL H . . 5.150 3.351 3.023 4.053 . 0 0 "[ . 1 . 2]" 1
283 1 11 VAL QG 1 12 ILE HB . . 4.740 3.557 3.282 4.535 . 0 0 "[ . 1 . 2]" 1
284 1 11 VAL QG 1 12 ILE MD . . 5.500 4.514 4.295 4.838 . 0 0 "[ . 1 . 2]" 1
285 1 11 VAL QG 1 32 ILE MG . . 5.500 3.752 3.194 3.999 . 0 0 "[ . 1 . 2]" 1
286 1 11 VAL QG 1 33 GLU H . . 5.500 3.937 2.624 4.363 . 0 0 "[ . 1 . 2]" 1
287 1 11 VAL QG 1 86 GLY H . . 4.150 3.265 2.901 3.920 . 0 0 "[ . 1 . 2]" 1
288 1 11 VAL QG 1 87 ASP H . . 3.930 2.944 2.543 4.075 0.145 13 0 "[ . 1 . 2]" 1
289 1 11 VAL QG 1 89 VAL QG . . 4.860 3.419 3.231 3.613 . 0 0 "[ . 1 . 2]" 1
290 1 12 ILE H 1 12 ILE HB . . 3.830 2.570 2.461 2.636 . 0 0 "[ . 1 . 2]" 1
291 1 12 ILE H 1 12 ILE HG13 . . 3.990 3.506 3.462 3.582 . 0 0 "[ . 1 . 2]" 1
292 1 12 ILE H 1 12 ILE HG12 . . 4.270 2.038 1.935 2.231 . 0 0 "[ . 1 . 2]" 1
293 1 12 ILE H 1 12 ILE MD . . 4.300 3.274 3.099 3.601 . 0 0 "[ . 1 . 2]" 1
294 1 12 ILE H 1 13 VAL H . . 5.340 4.607 4.483 4.631 . 0 0 "[ . 1 . 2]" 1
295 1 12 ILE H 1 85 ILE HA . . 4.870 4.671 4.470 4.962 0.092 19 0 "[ . 1 . 2]" 1
296 1 12 ILE H 1 86 GLY H . . 5.500 3.870 3.504 4.419 . 0 0 "[ . 1 . 2]" 1
297 1 12 ILE H 1 87 ASP H . . 4.570 3.170 2.804 3.578 . 0 0 "[ . 1 . 2]" 1
298 1 12 ILE H 1 87 ASP HB2 . . 5.120 4.758 3.860 5.171 0.051 9 0 "[ . 1 . 2]" 1
299 1 12 ILE H 1 89 VAL QG . . 5.400 2.813 2.536 3.166 . 0 0 "[ . 1 . 2]" 1
300 1 12 ILE HA 1 12 ILE MD . . 3.810 2.016 1.954 2.111 . 0 0 "[ . 1 . 2]" 1
301 1 12 ILE HA 1 13 VAL H . . 3.490 2.210 2.140 2.265 . 0 0 "[ . 1 . 2]" 1
302 1 12 ILE HA 1 13 VAL HA . . 5.130 4.398 4.384 4.424 . 0 0 "[ . 1 . 2]" 1
303 1 12 ILE HA 1 13 VAL HB . . 5.100 4.894 4.742 5.527 0.427 16 0 "[ . 1 . 2]" 1
304 1 12 ILE HA 1 13 VAL MG2 . . 4.200 3.323 3.167 3.550 . 0 0 "[ . 1 . 2]" 1
305 1 12 ILE HA 1 14 ASN H . . 3.920 3.972 3.861 4.094 0.174 11 0 "[ . 1 . 2]" 1
306 1 12 ILE HA 1 32 ILE HA . . 4.060 2.606 2.346 2.892 . 0 0 "[ . 1 . 2]" 1
307 1 12 ILE HA 1 32 ILE HB . . 5.490 4.595 4.441 4.829 . 0 0 "[ . 1 . 2]" 1
308 1 12 ILE HA 1 32 ILE HG12 . . 5.180 2.489 1.973 2.989 . 0 0 "[ . 1 . 2]" 1
309 1 12 ILE HA 1 32 ILE HG13 . . 4.930 2.357 1.841 2.749 . 0 0 "[ . 1 . 2]" 1
310 1 12 ILE HA 1 32 ILE MD . . 5.210 3.651 3.207 3.984 . 0 0 "[ . 1 . 2]" 1
311 1 12 ILE HA 1 33 GLU H . . 4.420 4.175 3.855 4.482 0.062 15 0 "[ . 1 . 2]" 1
312 1 12 ILE HA 1 85 ILE HA . . 5.290 4.728 4.518 5.143 . 0 0 "[ . 1 . 2]" 1
313 1 12 ILE HB 1 13 VAL H . . 5.340 3.996 3.824 4.307 . 0 0 "[ . 1 . 2]" 1
314 1 12 ILE HB 1 85 ILE HA . . 3.960 2.157 1.963 2.471 . 0 0 "[ . 1 . 2]" 1
315 1 12 ILE HB 1 85 ILE HG13 . . 5.500 5.290 3.992 6.011 0.511 13 1 "[ . 1 + . 2]" 1
316 1 12 ILE HB 1 86 GLY H . . 4.150 2.305 1.926 2.962 . 0 0 "[ . 1 . 2]" 1
317 1 12 ILE HB 1 87 ASP H . . 3.970 2.460 2.172 2.615 . 0 0 "[ . 1 . 2]" 1
318 1 12 ILE HB 1 87 ASP HB2 . . 5.360 4.004 2.937 4.434 . 0 0 "[ . 1 . 2]" 1
319 1 12 ILE HB 1 89 VAL QG . . 4.910 4.094 3.756 4.344 . 0 0 "[ . 1 . 2]" 1
320 1 12 ILE HG13 1 13 VAL H . . 5.500 5.204 5.084 5.504 0.004 17 0 "[ . 1 . 2]" 1
321 1 12 ILE HG13 1 30 PHE QD . . 5.500 4.923 4.300 5.513 0.013 12 0 "[ . 1 . 2]" 1
322 1 12 ILE HG13 1 85 ILE HA . . 5.500 3.539 3.171 4.084 . 0 0 "[ . 1 . 2]" 1
323 1 12 ILE HG13 1 86 GLY H . . 5.500 4.638 4.173 5.373 . 0 0 "[ . 1 . 2]" 1
324 1 12 ILE HG13 1 87 ASP H . . 5.500 3.844 3.285 4.167 . 0 0 "[ . 1 . 2]" 1
325 1 12 ILE HG13 1 89 VAL QG . . 4.200 3.117 2.899 3.358 . 0 0 "[ . 1 . 2]" 1
326 1 12 ILE HG12 1 87 ASP H . . 5.280 3.625 3.318 3.968 . 0 0 "[ . 1 . 2]" 1
327 1 12 ILE HG12 1 89 VAL H . . 5.110 4.789 4.189 5.221 0.111 15 0 "[ . 1 . 2]" 1
328 1 12 ILE HG12 1 89 VAL QG . . 3.320 2.200 1.856 2.568 . 0 0 "[ . 1 . 2]" 1
329 1 12 ILE MD 1 13 VAL H . . 4.350 3.367 3.125 3.576 . 0 0 "[ . 1 . 2]" 1
330 1 12 ILE MD 1 14 ASN H . . 5.450 4.300 3.866 4.488 . 0 0 "[ . 1 . 2]" 1
331 1 12 ILE MD 1 30 PHE HA . . 5.500 4.930 4.489 5.409 . 0 0 "[ . 1 . 2]" 1
332 1 12 ILE MD 1 30 PHE HB3 . . 4.670 3.395 2.976 3.759 . 0 0 "[ . 1 . 2]" 1
333 1 12 ILE MD 1 30 PHE QD . . 4.460 3.176 2.313 3.911 . 0 0 "[ . 1 . 2]" 1
334 1 12 ILE MD 1 31 ILE H . . 5.500 3.530 3.117 3.964 . 0 0 "[ . 1 . 2]" 1
335 1 12 ILE MD 1 32 ILE HA . . 4.450 3.746 3.509 3.995 . 0 0 "[ . 1 . 2]" 1
336 1 12 ILE MD 1 33 GLU H . . 5.500 5.321 5.093 5.543 0.043 19 0 "[ . 1 . 2]" 1
337 1 12 ILE MD 1 70 ILE MD . . 3.610 3.472 2.968 3.741 0.131 15 0 "[ . 1 . 2]" 1
338 1 12 ILE MD 1 85 ILE HA . . 5.500 4.353 4.203 4.554 . 0 0 "[ . 1 . 2]" 1
339 1 12 ILE MD 1 85 ILE MD . . 5.500 4.929 3.924 5.579 0.079 10 0 "[ . 1 . 2]" 1
340 1 12 ILE MD 1 86 GLY H . . 5.500 5.015 4.669 5.511 0.011 20 0 "[ . 1 . 2]" 1
341 1 12 ILE MD 1 87 ASP H . . 5.040 4.838 4.546 5.054 0.014 10 0 "[ . 1 . 2]" 1
342 1 12 ILE MD 1 89 VAL H . . 5.300 5.092 4.664 5.323 0.023 8 0 "[ . 1 . 2]" 1
343 1 12 ILE MD 1 89 VAL QG . . 3.330 2.054 1.839 2.287 . 0 0 "[ . 1 . 2]" 1
344 1 12 ILE MD 1 12 ILE MG . . 3.520 1.977 1.896 2.046 . 0 0 "[ . 1 . 2]" 1
345 1 12 ILE MG 1 13 VAL H . . 3.880 2.307 2.053 2.848 . 0 0 "[ . 1 . 2]" 1
346 1 12 ILE MG 1 14 ASN H . . 3.620 2.583 2.287 2.916 . 0 0 "[ . 1 . 2]" 1
347 1 12 ILE MG 1 30 PHE HA . . 4.890 4.571 4.340 4.820 . 0 0 "[ . 1 . 2]" 1
348 1 12 ILE MG 1 30 PHE QD . . 4.040 3.179 2.577 3.814 . 0 0 "[ . 1 . 2]" 1
349 1 12 ILE MG 1 32 ILE HG13 . . 5.430 3.493 3.114 3.741 . 0 0 "[ . 1 . 2]" 1
350 1 13 VAL H 1 13 VAL HB . . 4.010 2.858 2.685 3.550 . 0 0 "[ . 1 . 2]" 1
351 1 13 VAL H 1 13 VAL MG2 . . 3.550 2.408 1.927 2.630 . 0 0 "[ . 1 . 2]" 1
352 1 13 VAL H 1 14 ASN H . . 3.380 2.009 1.892 2.407 . 0 0 "[ . 1 . 2]" 1
353 1 13 VAL H 1 14 ASN QB . . 5.500 4.484 4.362 4.690 . 0 0 "[ . 1 . 2]" 1
354 1 13 VAL H 1 31 ILE H . . 5.170 3.641 3.461 4.070 . 0 0 "[ . 1 . 2]" 1
355 1 13 VAL H 1 31 ILE HA . . 4.860 4.737 4.581 4.991 0.131 15 0 "[ . 1 . 2]" 1
356 1 13 VAL H 1 31 ILE HB . . 4.940 3.184 2.920 3.646 . 0 0 "[ . 1 . 2]" 1
357 1 13 VAL H 1 31 ILE HG13 . . 5.500 5.323 4.976 5.680 0.180 3 0 "[ . 1 . 2]" 1
358 1 13 VAL H 1 31 ILE MG . . 4.420 3.673 3.313 4.318 . 0 0 "[ . 1 . 2]" 1
359 1 13 VAL H 1 32 ILE HA . . 3.980 2.942 2.229 3.368 . 0 0 "[ . 1 . 2]" 1
360 1 13 VAL H 1 32 ILE HG12 . . 5.140 4.352 3.783 4.881 . 0 0 "[ . 1 . 2]" 1
361 1 13 VAL H 1 32 ILE HG13 . . 5.190 3.510 3.032 3.756 . 0 0 "[ . 1 . 2]" 1
362 1 13 VAL H 1 32 ILE MD . . 4.920 4.896 4.371 5.053 0.133 4 0 "[ . 1 . 2]" 1
363 1 13 VAL H 1 33 GLU H . . 4.750 4.488 3.651 4.832 0.082 11 0 "[ . 1 . 2]" 1
364 1 13 VAL H 1 85 ILE MD . . 5.500 4.539 3.573 5.366 . 0 0 "[ . 1 . 2]" 1
365 1 13 VAL HA 1 13 VAL MG1 . . 3.240 2.183 2.105 2.321 . 0 0 "[ . 1 . 2]" 1
366 1 13 VAL HA 1 14 ASN QB . . 5.210 4.419 4.305 4.625 . 0 0 "[ . 1 . 2]" 1
367 1 13 VAL HB 1 14 ASN H . . 3.980 2.732 2.575 3.203 . 0 0 "[ . 1 . 2]" 1
368 1 13 VAL HB 1 14 ASN QB . . 5.430 3.305 3.112 3.478 . 0 0 "[ . 1 . 2]" 1
369 1 13 VAL HB 1 31 ILE H . . 5.500 4.841 4.465 5.857 0.357 16 0 "[ . 1 . 2]" 1
370 1 13 VAL HB 1 31 ILE HB . . 4.490 2.349 1.925 3.209 . 0 0 "[ . 1 . 2]" 1
371 1 13 VAL HB 1 31 ILE MD . . 4.180 3.427 3.146 3.920 . 0 0 "[ . 1 . 2]" 1
372 1 13 VAL HB 1 31 ILE MG . . 3.320 2.264 2.014 3.268 . 0 0 "[ . 1 . 2]" 1
373 1 13 VAL HB 1 32 ILE H . . 5.350 4.695 4.138 5.563 0.213 16 0 "[ . 1 . 2]" 1
374 1 13 VAL MG1 1 14 ASN QB . . 3.890 3.343 3.008 4.511 0.621 16 1 "[ . 1 .+ 2]" 1
375 1 13 VAL MG1 1 33 GLU H . . 4.560 4.573 3.423 4.767 0.207 15 0 "[ . 1 . 2]" 1
376 1 13 VAL MG1 1 33 GLU HB3 . . 4.330 3.794 3.121 4.363 0.033 8 0 "[ . 1 . 2]" 1
377 1 13 VAL MG2 1 14 ASN H . . 3.800 3.478 2.165 3.716 . 0 0 "[ . 1 . 2]" 1
378 1 13 VAL MG2 1 31 ILE HB . . 3.870 3.198 1.785 3.570 . 0 0 "[ . 1 . 2]" 1
379 1 13 VAL MG2 1 32 ILE HA . . 3.990 2.091 1.908 2.265 . 0 0 "[ . 1 . 2]" 1
380 1 13 VAL MG2 1 33 GLU H . . 3.910 2.373 2.150 2.643 . 0 0 "[ . 1 . 2]" 1
381 1 13 VAL MG2 1 33 GLU HA . . 4.490 3.536 3.068 3.919 . 0 0 "[ . 1 . 2]" 1
382 1 13 VAL MG2 1 33 GLU HB3 . . 4.320 2.523 2.101 3.752 . 0 0 "[ . 1 . 2]" 1
383 1 13 VAL MG2 1 33 GLU HB2 . . 3.790 3.034 1.990 3.853 0.063 12 0 "[ . 1 . 2]" 1
384 1 13 VAL MG2 1 33 GLU QG . . 4.180 3.562 2.431 4.741 0.561 16 1 "[ . 1 .+ 2]" 1
385 1 13 VAL MG2 1 34 GLN H . . 5.500 5.255 4.815 5.564 0.064 19 0 "[ . 1 . 2]" 1
386 1 13 VAL MG2 1 67 HIS HD2 . . 4.400 4.023 3.137 4.872 0.472 16 0 "[ . 1 . 2]" 1
387 1 14 ASN H 1 15 LYS H . . 4.550 4.366 4.338 4.392 . 0 0 "[ . 1 . 2]" 1
388 1 14 ASN H 1 30 PHE HA . . 4.680 4.784 4.677 5.022 0.342 17 0 "[ . 1 . 2]" 1
389 1 14 ASN H 1 30 PHE QD . . 5.500 4.961 4.171 5.622 0.122 16 0 "[ . 1 . 2]" 1
390 1 14 ASN H 1 31 ILE H . . 4.030 3.150 3.002 3.343 . 0 0 "[ . 1 . 2]" 1
391 1 14 ASN H 1 31 ILE HB . . 3.920 2.283 2.007 2.636 . 0 0 "[ . 1 . 2]" 1
392 1 14 ASN H 1 31 ILE HG13 . . 5.360 4.061 3.508 4.946 . 0 0 "[ . 1 . 2]" 1
393 1 14 ASN H 1 31 ILE MG . . 5.070 3.704 3.400 4.023 . 0 0 "[ . 1 . 2]" 1
394 1 14 ASN H 1 85 ILE MD . . 4.760 3.607 2.898 4.246 . 0 0 "[ . 1 . 2]" 1
395 1 14 ASN HA 1 15 LYS H . . 3.250 2.499 2.385 2.541 . 0 0 "[ . 1 . 2]" 1
396 1 14 ASN HA 1 16 LEU QD . . 4.630 4.494 3.995 4.610 . 0 0 "[ . 1 . 2]" 1
397 1 14 ASN HA 1 31 ILE MD . . 5.150 4.622 3.636 5.110 . 0 0 "[ . 1 . 2]" 1
398 1 14 ASN HA 1 85 ILE HG13 . . 4.840 3.808 2.699 4.599 . 0 0 "[ . 1 . 2]" 1
399 1 14 ASN HA 1 85 ILE MD . . 3.630 1.956 1.885 2.107 . 0 0 "[ . 1 . 2]" 1
400 1 14 ASN HA 1 85 ILE MG . . 4.280 3.074 2.457 4.535 0.255 17 0 "[ . 1 . 2]" 1
401 1 14 ASN QB 1 15 LYS H . . 4.020 2.909 2.767 3.098 . 0 0 "[ . 1 . 2]" 1
402 1 14 ASN QB 1 16 LEU QD . . 3.940 2.464 2.029 2.757 . 0 0 "[ . 1 . 2]" 1
403 1 14 ASN QB 1 31 ILE HB . . 4.000 2.967 2.593 3.289 . 0 0 "[ . 1 . 2]" 1
404 1 14 ASN QB 1 31 ILE HG13 . . 4.470 3.196 2.286 4.445 . 0 0 "[ . 1 . 2]" 1
405 1 14 ASN QB 1 31 ILE MD . . 3.870 2.208 1.827 2.738 . 0 0 "[ . 1 . 2]" 1
406 1 14 ASN QB 1 85 ILE MD . . 4.210 3.752 3.550 3.904 . 0 0 "[ . 1 . 2]" 1
407 1 14 ASN QB 1 16 LEU HG . . 4.780 3.886 3.526 4.485 . 0 0 "[ . 1 . 2]" 1
408 1 14 ASN QB 1 30 PHE HA . . 5.430 4.809 4.352 5.159 . 0 0 "[ . 1 . 2]" 1
409 1 14 ASN QB 1 31 ILE HG12 . . 4.600 4.254 3.592 4.617 0.017 15 0 "[ . 1 . 2]" 1
410 1 14 ASN QB 1 31 ILE MG . . 4.790 3.684 3.329 4.003 . 0 0 "[ . 1 . 2]" 1
411 1 14 ASN HD21 1 15 LYS H . . 5.340 3.172 1.893 4.014 . 0 0 "[ . 1 . 2]" 1
412 1 14 ASN HD21 1 16 LEU HG . . 5.500 3.607 2.034 4.596 . 0 0 "[ . 1 . 2]" 1
413 1 14 ASN HD21 1 16 LEU QD . . 4.290 2.042 1.820 2.354 . 0 0 "[ . 1 . 2]" 1
414 1 14 ASN HD21 1 31 ILE HB . . 5.500 5.260 4.829 5.554 0.054 4 0 "[ . 1 . 2]" 1
415 1 14 ASN HD21 1 31 ILE HG13 . . 5.500 4.770 3.861 6.020 0.520 3 1 "[ + . 1 . 2]" 1
416 1 14 ASN HD21 1 31 ILE MD . . 4.950 3.266 2.594 3.986 . 0 0 "[ . 1 . 2]" 1
417 1 14 ASN HD21 1 85 ILE MD . . 5.500 5.059 4.235 5.511 0.011 3 0 "[ . 1 . 2]" 1
418 1 14 ASN HD22 1 15 LYS H . . 5.500 3.356 2.657 3.924 . 0 0 "[ . 1 . 2]" 1
419 1 14 ASN HD22 1 16 LEU HG . . 5.500 4.694 2.780 5.507 0.007 17 0 "[ . 1 . 2]" 1
420 1 14 ASN HD22 1 16 LEU QD . . 4.470 2.941 2.486 3.595 . 0 0 "[ . 1 . 2]" 1
421 1 14 ASN HD22 1 31 ILE MD . . 5.500 4.605 3.979 5.190 . 0 0 "[ . 1 . 2]" 1
422 1 15 LYS H 1 15 LYS HB2 . . 3.740 3.491 2.694 3.883 0.143 2 0 "[ . 1 . 2]" 1
423 1 15 LYS H 1 15 LYS HB3 . . 4.200 3.563 2.996 3.947 . 0 0 "[ . 1 . 2]" 1
424 1 15 LYS H 1 15 LYS HD2 . . 5.450 4.488 3.353 5.325 . 0 0 "[ . 1 . 2]" 1
425 1 15 LYS H 1 16 LEU H . . 5.500 3.909 3.680 4.443 . 0 0 "[ . 1 . 2]" 1
426 1 15 LYS H 1 16 LEU HG . . 5.210 4.523 3.869 5.101 . 0 0 "[ . 1 . 2]" 1
427 1 15 LYS H 1 16 LEU QD . . 4.630 3.195 2.898 3.600 . 0 0 "[ . 1 . 2]" 1
428 1 15 LYS H 1 30 PHE HA . . 5.500 4.837 4.509 5.404 . 0 0 "[ . 1 . 2]" 1
429 1 15 LYS H 1 85 ILE MD . . 3.360 2.950 2.579 3.399 0.039 17 0 "[ . 1 . 2]" 1
430 1 15 LYS HA 1 15 LYS HE3 . . 5.160 5.043 4.367 6.087 0.927 10 1 "[ . + . 2]" 1
431 1 15 LYS HA 1 16 LEU H . . 3.400 2.182 2.142 2.219 . 0 0 "[ . 1 . 2]" 1
432 1 15 LYS HA 1 30 PHE HA . . 3.900 2.221 1.965 3.021 . 0 0 "[ . 1 . 2]" 1
433 1 15 LYS HA 1 30 PHE HB3 . . 5.390 4.317 3.649 5.209 . 0 0 "[ . 1 . 2]" 1
434 1 15 LYS HB2 1 15 LYS HD2 . . 4.010 3.306 2.735 3.691 . 0 0 "[ . 1 . 2]" 1
435 1 15 LYS HB2 1 15 LYS HE3 . . 3.890 3.052 1.988 3.839 . 0 0 "[ . 1 . 2]" 1
436 1 15 LYS HB2 1 15 LYS HE2 . . 3.780 2.654 1.990 3.555 . 0 0 "[ . 1 . 2]" 1
437 1 15 LYS HB2 1 16 LEU H . . 5.420 3.932 3.051 4.491 . 0 0 "[ . 1 . 2]" 1
438 1 15 LYS HB2 1 17 PHE H . . 5.350 3.460 2.925 4.116 . 0 0 "[ . 1 . 2]" 1
439 1 15 LYS HB3 1 15 LYS HE3 . . 4.730 3.075 2.344 4.473 . 0 0 "[ . 1 . 2]" 1
440 1 15 LYS HB3 1 15 LYS HE2 . . 4.830 3.247 2.050 4.933 0.103 13 0 "[ . 1 . 2]" 1
441 1 15 LYS HB3 1 16 LEU H . . 4.870 4.175 3.580 4.459 . 0 0 "[ . 1 . 2]" 1
442 1 15 LYS HB3 1 17 PHE H . . 5.500 4.410 3.176 5.283 . 0 0 "[ . 1 . 2]" 1
443 1 15 LYS HB3 1 30 PHE HA . . 5.420 3.951 3.096 5.205 . 0 0 "[ . 1 . 2]" 1
444 1 15 LYS HB3 1 30 PHE QD . . 4.630 3.195 2.416 4.162 . 0 0 "[ . 1 . 2]" 1
445 1 15 LYS HD3 1 85 ILE HG13 . . 5.500 3.575 2.236 5.395 . 0 0 "[ . 1 . 2]" 1
446 1 15 LYS HD3 1 85 ILE MD . . 3.760 2.995 2.044 4.363 0.603 17 1 "[ . 1 . + 2]" 1
447 1 15 LYS HD2 1 85 ILE HG13 . . 4.550 3.653 2.235 4.700 0.150 8 0 "[ . 1 . 2]" 1
448 1 15 LYS HE3 1 81 ALA MB . . 4.140 3.022 2.048 4.164 0.024 17 0 "[ . 1 . 2]" 1
449 1 15 LYS HE3 1 85 ILE MD . . 5.380 4.454 3.184 5.535 0.155 17 0 "[ . 1 . 2]" 1
450 1 15 LYS HE2 1 17 PHE H . . 5.500 4.921 3.812 5.534 0.034 19 0 "[ . 1 . 2]" 1
451 1 15 LYS HE2 1 81 ALA MB . . 4.200 3.672 2.666 4.278 0.078 13 0 "[ . 1 . 2]" 1
452 1 16 LEU H 1 16 LEU HB2 . . 3.870 2.799 2.565 3.427 . 0 0 "[ . 1 . 2]" 1
453 1 16 LEU H 1 16 LEU HG . . 3.990 2.454 1.915 4.006 0.016 20 0 "[ . 1 . 2]" 1
454 1 16 LEU H 1 16 LEU QD . . 3.970 2.519 1.872 2.952 . 0 0 "[ . 1 . 2]" 1
455 1 16 LEU H 1 17 PHE H . . 3.950 3.315 2.502 3.554 . 0 0 "[ . 1 . 2]" 1
456 1 16 LEU H 1 17 PHE QD . . 4.240 3.939 3.177 4.643 0.403 20 0 "[ . 1 . 2]" 1
457 1 16 LEU H 1 29 LEU HA . . 5.410 3.444 2.835 3.959 . 0 0 "[ . 1 . 2]" 1
458 1 16 LEU H 1 29 LEU QD . . 5.500 5.042 4.747 5.265 . 0 0 "[ . 1 . 2]" 1
459 1 16 LEU H 1 30 PHE HA . . 4.600 2.966 2.445 3.483 . 0 0 "[ . 1 . 2]" 1
460 1 16 LEU H 1 30 PHE QD . . 5.500 4.769 3.371 5.309 . 0 0 "[ . 1 . 2]" 1
461 1 16 LEU HA 1 16 LEU HG . . 3.520 3.243 2.522 3.617 0.097 17 0 "[ . 1 . 2]" 1
462 1 16 LEU HA 1 16 LEU QD . . 4.000 2.532 2.029 3.190 . 0 0 "[ . 1 . 2]" 1
463 1 16 LEU HA 1 17 PHE QD . . 4.960 4.830 4.583 5.696 0.736 17 1 "[ . 1 . + 2]" 1
464 1 16 LEU HB3 1 17 PHE H . . 4.910 4.451 4.343 4.550 . 0 0 "[ . 1 . 2]" 1
465 1 16 LEU HB3 1 28 THR MG . . 5.500 4.464 4.062 5.516 0.016 17 0 "[ . 1 . 2]" 1
466 1 16 LEU HB3 1 29 LEU HA . . 5.250 4.496 4.180 4.764 . 0 0 "[ . 1 . 2]" 1
467 1 16 LEU HB3 1 29 LEU QD . . 5.500 5.405 5.076 5.515 0.015 20 0 "[ . 1 . 2]" 1
468 1 16 LEU HB2 1 16 LEU QD . . 3.230 2.152 1.970 2.381 . 0 0 "[ . 1 . 2]" 1
469 1 16 LEU HB2 1 17 PHE H . . 4.300 4.290 4.112 4.371 0.071 16 0 "[ . 1 . 2]" 1
470 1 16 LEU HB2 1 28 THR MG . . 5.500 3.394 2.920 4.917 . 0 0 "[ . 1 . 2]" 1
471 1 16 LEU HB2 1 29 LEU HA . . 4.880 3.004 2.611 3.308 . 0 0 "[ . 1 . 2]" 1
472 1 16 LEU HB2 1 29 LEU QD . . 5.310 4.382 4.005 4.823 . 0 0 "[ . 1 . 2]" 1
473 1 16 LEU HG 1 17 PHE H . . 5.120 5.015 4.691 5.204 0.084 15 0 "[ . 1 . 2]" 1
474 1 16 LEU HG 1 30 PHE HA . . 5.460 4.507 2.903 5.557 0.097 20 0 "[ . 1 . 2]" 1
475 1 16 LEU QD 1 17 PHE H . . 4.820 4.274 4.072 4.503 . 0 0 "[ . 1 . 2]" 1
476 1 16 LEU QD 1 28 THR HB . . 4.050 2.278 1.895 3.086 . 0 0 "[ . 1 . 2]" 1
477 1 16 LEU QD 1 28 THR MG . . 3.390 2.108 1.801 3.036 . 0 0 "[ . 1 . 2]" 1
478 1 16 LEU QD 1 30 PHE HA . . 4.960 3.986 2.639 4.714 . 0 0 "[ . 1 . 2]" 1
479 1 16 LEU QD 1 28 THR H . . 5.500 4.598 3.932 5.462 . 0 0 "[ . 1 . 2]" 1
480 1 16 LEU QD 1 29 LEU H . . 5.500 4.149 3.012 4.598 . 0 0 "[ . 1 . 2]" 1
481 1 17 PHE H 1 17 PHE QD . . 3.800 2.763 2.296 4.108 0.308 17 0 "[ . 1 . 2]" 1
482 1 17 PHE H 1 18 LYS H . . 4.610 4.409 4.371 4.478 . 0 0 "[ . 1 . 2]" 1
483 1 17 PHE H 1 18 LYS HA . . 5.500 4.736 4.644 4.938 . 0 0 "[ . 1 . 2]" 1
484 1 17 PHE H 1 18 LYS QG . . 5.470 4.617 3.952 5.011 . 0 0 "[ . 1 . 2]" 1
485 1 17 PHE H 1 29 LEU HA . . 5.320 4.192 3.936 4.976 . 0 0 "[ . 1 . 2]" 1
486 1 17 PHE H 1 29 LEU HB3 . . 4.970 5.026 4.909 5.196 0.226 20 0 "[ . 1 . 2]" 1
487 1 17 PHE HA 1 17 PHE QD . . 4.100 3.572 2.605 3.697 . 0 0 "[ . 1 . 2]" 1
488 1 17 PHE HA 1 18 LYS H . . 3.200 2.439 2.296 2.532 . 0 0 "[ . 1 . 2]" 1
489 1 17 PHE HA 1 29 LEU HA . . 5.210 3.796 3.239 4.646 . 0 0 "[ . 1 . 2]" 1
490 1 17 PHE HA 1 29 LEU QD . . 5.500 3.292 2.757 4.728 . 0 0 "[ . 1 . 2]" 1
491 1 17 PHE HB2 1 18 LYS H . . 3.580 2.740 2.444 4.183 0.603 17 2 "[ . 1 . + -]" 1
492 1 17 PHE HB2 1 29 LEU HA . . 5.500 3.676 3.085 5.077 . 0 0 "[ . 1 . 2]" 1
493 1 17 PHE HB2 1 29 LEU QD . . 5.500 2.576 1.907 4.537 . 0 0 "[ . 1 . 2]" 1
494 1 17 PHE HB3 1 29 LEU HA . . 5.110 2.712 1.979 6.102 0.992 17 1 "[ . 1 . + 2]" 1
495 1 17 PHE HB3 1 29 LEU HB3 . . 3.960 2.407 1.989 4.611 0.651 17 1 "[ . 1 . + 2]" 1
496 1 17 PHE HB3 1 29 LEU QD . . 4.970 2.860 2.046 4.644 . 0 0 "[ . 1 . 2]" 1
497 1 17 PHE QD 1 18 LYS H . . 4.090 2.717 2.058 3.269 . 0 0 "[ . 1 . 2]" 1
498 1 17 PHE QD 1 18 LYS HA . . 4.630 4.059 3.240 4.922 0.292 20 0 "[ . 1 . 2]" 1
499 1 17 PHE QD 1 18 LYS HB3 . . 5.500 5.429 4.912 6.419 0.919 20 1 "[ . 1 . +]" 1
500 1 17 PHE QD 1 18 LYS QG . . 5.500 5.059 4.282 5.246 . 0 0 "[ . 1 . 2]" 1
501 1 17 PHE QD 1 19 ALA H . . 4.960 4.962 4.351 5.251 0.291 20 0 "[ . 1 . 2]" 1
502 1 17 PHE QD 1 19 ALA HA . . 4.750 4.167 3.875 4.755 0.005 17 0 "[ . 1 . 2]" 1
503 1 17 PHE QD 1 19 ALA MB . . 5.210 5.046 4.658 5.552 0.342 20 0 "[ . 1 . 2]" 1
504 1 17 PHE QD 1 21 ASP H . . 5.000 4.864 4.476 5.249 0.249 17 0 "[ . 1 . 2]" 1
505 1 17 PHE QD 1 29 LEU HB2 . . 5.350 4.689 3.283 5.342 . 0 0 "[ . 1 . 2]" 1
506 1 17 PHE QD 1 29 LEU HB3 . . 5.050 3.476 1.919 4.043 . 0 0 "[ . 1 . 2]" 1
507 1 17 PHE QD 1 29 LEU QD . . 4.240 3.465 2.628 3.976 . 0 0 "[ . 1 . 2]" 1
508 1 17 PHE QD 1 78 ILE HB . . 5.500 4.125 3.323 4.876 . 0 0 "[ . 1 . 2]" 1
509 1 17 PHE QD 1 78 ILE HG12 . . 5.500 2.464 1.994 3.128 . 0 0 "[ . 1 . 2]" 1
510 1 17 PHE QD 1 78 ILE HG13 . . 5.500 3.952 2.715 4.525 . 0 0 "[ . 1 . 2]" 1
511 1 17 PHE QD 1 78 ILE MG . . 3.860 2.355 1.916 3.240 . 0 0 "[ . 1 . 2]" 1
512 1 17 PHE QD 1 97 VAL HB . . 5.110 5.061 4.219 5.409 0.299 20 0 "[ . 1 . 2]" 1
513 1 17 PHE QD 1 97 VAL QG . . 4.910 3.422 2.986 3.722 . 0 0 "[ . 1 . 2]" 1
514 1 18 LYS H 1 18 LYS HB2 . . 3.910 2.593 2.341 3.016 . 0 0 "[ . 1 . 2]" 1
515 1 18 LYS H 1 18 LYS HB3 . . 3.680 3.703 3.491 3.876 0.196 20 0 "[ . 1 . 2]" 1
516 1 18 LYS H 1 18 LYS QG . . 4.440 3.336 2.615 3.755 . 0 0 "[ . 1 . 2]" 1
517 1 18 LYS H 1 21 ASP H . . 4.910 4.512 4.139 4.941 0.031 17 0 "[ . 1 . 2]" 1
518 1 18 LYS H 1 21 ASP HB2 . . 3.540 3.320 2.757 3.599 0.059 17 0 "[ . 1 . 2]" 1
519 1 18 LYS H 1 21 ASP HB3 . . 4.640 3.749 3.090 4.644 0.004 17 0 "[ . 1 . 2]" 1
520 1 18 LYS H 1 78 ILE MD . . 5.500 4.216 3.482 5.422 . 0 0 "[ . 1 . 2]" 1
521 1 18 LYS H 1 78 ILE MG . . 4.710 3.035 2.692 3.662 . 0 0 "[ . 1 . 2]" 1
522 1 18 LYS HA 1 18 LYS HD3 . . 3.790 3.169 2.219 4.287 0.497 10 0 "[ . 1 . 2]" 1
523 1 18 LYS HA 1 18 LYS QG . . 3.740 2.428 2.192 2.696 . 0 0 "[ . 1 . 2]" 1
524 1 18 LYS HA 1 18 LYS QE . . 5.000 4.258 3.138 4.748 . 0 0 "[ . 1 . 2]" 1
525 1 18 LYS HA 1 19 ALA H . . 3.250 2.368 2.144 2.552 . 0 0 "[ . 1 . 2]" 1
526 1 18 LYS HA 1 19 ALA HA . . 4.370 4.342 4.336 4.376 0.006 17 0 "[ . 1 . 2]" 1
527 1 18 LYS HA 1 19 ALA MB . . 3.850 3.952 3.918 4.055 0.205 11 0 "[ . 1 . 2]" 1
528 1 18 LYS HA 1 21 ASP HB2 . . 5.280 4.415 4.150 4.981 . 0 0 "[ . 1 . 2]" 1
529 1 18 LYS HB2 1 19 ALA H . . 3.810 3.827 3.534 3.992 0.182 17 0 "[ . 1 . 2]" 1
530 1 18 LYS HB3 1 19 ALA H . . 3.700 2.588 2.210 3.470 . 0 0 "[ . 1 . 2]" 1
531 1 18 LYS HB3 1 21 ASP HB2 . . 5.100 2.903 2.271 4.939 . 0 0 "[ . 1 . 2]" 1
532 1 18 LYS HD2 1 21 ASP HB2 . . 5.500 4.813 4.227 5.612 0.112 20 0 "[ . 1 . 2]" 1
533 1 18 LYS QG 1 19 ALA H . . 4.910 4.002 3.623 4.554 . 0 0 "[ . 1 . 2]" 1
534 1 19 ALA H 1 19 ALA MB . . 3.400 2.185 2.098 2.293 . 0 0 "[ . 1 . 2]" 1
535 1 19 ALA H 1 20 GLY H . . 5.450 4.358 4.301 4.546 . 0 0 "[ . 1 . 2]" 1
536 1 19 ALA H 1 20 GLY QA . . 4.950 5.090 5.008 5.274 0.324 20 0 "[ . 1 . 2]" 1
537 1 19 ALA HA 1 20 GLY H . . 3.270 2.158 2.146 2.167 . 0 0 "[ . 1 . 2]" 1
538 1 19 ALA HA 1 20 GLY QA . . 4.590 3.900 3.893 3.929 . 0 0 "[ . 1 . 2]" 1
539 1 19 ALA HA 1 21 ASP H . . 4.070 3.645 3.460 3.747 . 0 0 "[ . 1 . 2]" 1
540 1 19 ALA HA 1 21 ASP HB2 . . 5.500 4.817 4.641 4.935 . 0 0 "[ . 1 . 2]" 1
541 1 19 ALA HA 1 78 ILE MG . . 4.080 3.278 2.457 3.764 . 0 0 "[ . 1 . 2]" 1
542 1 19 ALA HA 1 80 ASP H . . 4.630 4.456 2.201 4.702 0.072 19 0 "[ . 1 . 2]" 1
543 1 19 ALA HA 1 80 ASP HA . . 4.420 2.823 2.179 3.584 . 0 0 "[ . 1 . 2]" 1
544 1 19 ALA HA 1 80 ASP HB3 . . 5.340 4.832 3.765 6.247 0.907 20 2 "[ . - . +]" 1
545 1 19 ALA HA 1 81 ALA H . . 5.500 4.756 3.898 5.470 . 0 0 "[ . 1 . 2]" 1
546 1 19 ALA MB 1 20 GLY H . . 3.770 3.367 3.094 3.434 . 0 0 "[ . 1 . 2]" 1
547 1 19 ALA MB 1 21 ASP H . . 5.370 4.633 4.378 4.778 . 0 0 "[ . 1 . 2]" 1
548 1 19 ALA MB 1 78 ILE MG . . 4.850 4.493 3.805 4.835 . 0 0 "[ . 1 . 2]" 1
549 1 19 ALA MB 1 79 GLY QA . . 5.430 4.249 2.977 5.166 . 0 0 "[ . 1 . 2]" 1
550 1 19 ALA MB 1 80 ASP H . . 4.300 3.979 3.037 4.341 0.041 16 0 "[ . 1 . 2]" 1
551 1 19 ALA MB 1 80 ASP HA . . 3.290 2.239 1.825 3.313 0.023 11 0 "[ . 1 . 2]" 1
552 1 19 ALA MB 1 80 ASP HB2 . . 4.160 2.871 1.868 3.802 . 0 0 "[ . 1 . 2]" 1
553 1 19 ALA MB 1 80 ASP HB3 . . 3.940 3.161 2.021 4.172 0.232 10 0 "[ . 1 . 2]" 1
554 1 19 ALA MB 1 81 ALA H . . 4.260 3.627 2.916 4.265 0.005 12 0 "[ . 1 . 2]" 1
555 1 20 GLY H 1 21 ASP H . . 3.680 2.306 2.036 2.468 . 0 0 "[ . 1 . 2]" 1
556 1 20 GLY H 1 21 ASP HB2 . . 5.320 4.310 4.152 4.506 . 0 0 "[ . 1 . 2]" 1
557 1 20 GLY H 1 78 ILE MG . . 4.060 2.586 2.081 3.147 . 0 0 "[ . 1 . 2]" 1
558 1 20 GLY QA 1 78 ILE MG . . 4.300 3.641 3.039 3.981 . 0 0 "[ . 1 . 2]" 1
559 1 21 ASP H 1 21 ASP HB2 . . 3.300 2.307 2.105 2.530 . 0 0 "[ . 1 . 2]" 1
560 1 21 ASP H 1 21 ASP HB3 . . 3.560 3.210 2.943 3.559 . 0 0 "[ . 1 . 2]" 1
561 1 21 ASP H 1 22 LYS H . . 4.740 4.482 4.383 4.558 . 0 0 "[ . 1 . 2]" 1
562 1 21 ASP H 1 78 ILE MG . . 3.610 2.231 1.833 2.509 . 0 0 "[ . 1 . 2]" 1
563 1 21 ASP HA 1 22 LYS H . . 2.950 2.566 2.301 2.734 . 0 0 "[ . 1 . 2]" 1
564 1 21 ASP HA 1 22 LYS HA . . 4.340 4.370 4.322 4.446 0.106 11 0 "[ . 1 . 2]" 1
565 1 21 ASP HA 1 22 LYS HG2 . . 5.020 5.078 4.489 5.495 0.475 11 0 "[ . 1 . 2]" 1
566 1 21 ASP HA 1 22 LYS QB . . 4.480 4.321 4.098 4.599 0.119 5 0 "[ . 1 . 2]" 1
567 1 21 ASP HA 1 78 ILE MG . . 4.480 4.033 3.648 4.305 . 0 0 "[ . 1 . 2]" 1
568 1 21 ASP HB2 1 22 LYS H . . 4.280 3.780 3.572 4.061 . 0 0 "[ . 1 . 2]" 1
569 1 21 ASP HB2 1 78 ILE H . . 5.500 5.384 4.925 5.660 0.160 20 0 "[ . 1 . 2]" 1
570 1 21 ASP HB2 1 78 ILE MG . . 4.060 3.148 2.764 3.501 . 0 0 "[ . 1 . 2]" 1
571 1 21 ASP HB3 1 22 LYS H . . 3.410 2.472 2.047 3.054 . 0 0 "[ . 1 . 2]" 1
572 1 21 ASP HB3 1 23 VAL QG . . 5.030 4.454 3.679 5.124 0.094 16 0 "[ . 1 . 2]" 1
573 1 21 ASP HB3 1 78 ILE HB . . 5.500 5.375 4.889 5.621 0.121 17 0 "[ . 1 . 2]" 1
574 1 21 ASP HB3 1 78 ILE MG . . 4.470 3.086 2.634 3.924 . 0 0 "[ . 1 . 2]" 1
575 1 22 LYS H 1 22 LYS HG2 . . 3.890 3.585 2.063 4.087 0.197 5 0 "[ . 1 . 2]" 1
576 1 22 LYS H 1 22 LYS HG3 . . 3.950 3.429 2.435 3.909 . 0 0 "[ . 1 . 2]" 1
577 1 22 LYS H 1 22 LYS QB . . 3.210 2.383 2.145 2.757 . 0 0 "[ . 1 . 2]" 1
578 1 22 LYS H 1 23 VAL H . . 5.300 4.542 4.415 4.586 . 0 0 "[ . 1 . 2]" 1
579 1 22 LYS H 1 23 VAL QG . . 5.500 4.729 4.146 5.403 . 0 0 "[ . 1 . 2]" 1
580 1 22 LYS H 1 78 ILE MG . . 4.980 4.192 3.577 4.836 . 0 0 "[ . 1 . 2]" 1
581 1 22 LYS HA 1 22 LYS HG2 . . 4.060 2.646 2.048 4.222 0.162 11 0 "[ . 1 . 2]" 1
582 1 22 LYS HA 1 23 VAL H . . 3.040 2.274 2.145 2.460 . 0 0 "[ . 1 . 2]" 1
583 1 22 LYS HA 1 78 ILE MG . . 4.260 3.853 3.211 4.311 0.051 17 0 "[ . 1 . 2]" 1
584 1 22 LYS HG2 1 23 VAL H . . 4.730 3.918 3.363 4.794 0.064 11 0 "[ . 1 . 2]" 1
585 1 22 LYS HG3 1 23 VAL H . . 4.710 4.609 3.657 4.835 0.125 14 0 "[ . 1 . 2]" 1
586 1 22 LYS QB 1 23 VAL H . . 3.800 2.836 2.305 3.256 . 0 0 "[ . 1 . 2]" 1
587 1 23 VAL H 1 23 VAL QG . . 3.620 2.190 1.871 2.892 . 0 0 "[ . 1 . 2]" 1
588 1 23 VAL H 1 24 LYS H . . 5.200 4.485 4.436 4.559 . 0 0 "[ . 1 . 2]" 1
589 1 23 VAL H 1 76 GLY H . . 4.510 2.585 2.254 3.002 . 0 0 "[ . 1 . 2]" 1
590 1 23 VAL H 1 78 ILE HB . . 5.040 4.823 4.307 5.106 0.066 6 0 "[ . 1 . 2]" 1
591 1 23 VAL H 1 78 ILE MG . . 4.910 4.518 3.920 5.032 0.122 17 0 "[ . 1 . 2]" 1
592 1 23 VAL HA 1 24 LYS H . . 3.430 2.412 2.239 2.584 . 0 0 "[ . 1 . 2]" 1
593 1 23 VAL HA 1 27 GLN QB . . 4.850 3.788 3.434 4.236 . 0 0 "[ . 1 . 2]" 1
594 1 23 VAL HA 1 27 GLN HE22 . . 5.350 3.044 2.226 5.360 0.010 13 0 "[ . 1 . 2]" 1
595 1 23 VAL HA 1 27 GLN HE21 . . 4.800 2.936 1.877 4.283 . 0 0 "[ . 1 . 2]" 1
596 1 23 VAL HA 1 29 LEU QD . . 4.860 3.337 3.019 3.683 . 0 0 "[ . 1 . 2]" 1
597 1 23 VAL HB 1 24 LYS H . . 3.810 2.922 2.064 4.060 0.250 14 0 "[ . 1 . 2]" 1
598 1 23 VAL HB 1 29 LEU QD . . 4.510 2.983 1.898 4.117 . 0 0 "[ . 1 . 2]" 1
599 1 23 VAL HB 1 72 ALA MB . . 4.630 2.937 2.080 3.983 . 0 0 "[ . 1 . 2]" 1
600 1 23 VAL QG 1 24 LYS H . . 3.930 2.549 1.875 3.238 . 0 0 "[ . 1 . 2]" 1
601 1 23 VAL QG 1 27 GLN HE22 . . 5.320 3.840 2.873 5.181 . 0 0 "[ . 1 . 2]" 1
602 1 23 VAL QG 1 27 GLN HE21 . . 4.610 3.618 2.854 4.760 0.150 4 0 "[ . 1 . 2]" 1
603 1 23 VAL QG 1 29 LEU QD . . 3.800 1.758 1.611 2.230 . 0 0 "[ . 1 . 2]" 1
604 1 23 VAL QG 1 78 ILE HB . . 3.930 2.238 1.854 3.125 . 0 0 "[ . 1 . 2]" 1
605 1 23 VAL QG 1 78 ILE MG . . 3.860 2.770 2.022 3.601 . 0 0 "[ . 1 . 2]" 1
606 1 23 VAL QG 1 27 GLN H . . 5.500 4.329 3.271 5.164 . 0 0 "[ . 1 . 2]" 1
607 1 23 VAL QG 1 72 ALA HA . . 5.080 3.908 3.140 4.419 . 0 0 "[ . 1 . 2]" 1
608 1 23 VAL QG 1 72 ALA MB . . 3.930 2.013 1.725 2.476 . 0 0 "[ . 1 . 2]" 1
609 1 23 VAL QG 1 74 PHE H . . 5.300 3.881 3.312 4.680 . 0 0 "[ . 1 . 2]" 1
610 1 23 VAL QG 1 75 ASP H . . 5.500 4.100 3.149 4.842 . 0 0 "[ . 1 . 2]" 1
611 1 23 VAL QG 1 75 ASP HA . . 4.840 2.300 1.827 3.188 . 0 0 "[ . 1 . 2]" 1
612 1 23 VAL QG 1 76 GLY H . . 3.990 2.286 1.843 3.800 . 0 0 "[ . 1 . 2]" 1
613 1 24 LYS H 1 24 LYS HB3 . . 3.490 2.990 2.379 3.703 0.213 4 0 "[ . 1 . 2]" 1
614 1 24 LYS H 1 24 LYS QG . . 4.040 3.689 2.712 4.130 0.090 5 0 "[ . 1 . 2]" 1
615 1 24 LYS H 1 26 GLY H . . 4.700 4.830 4.505 5.070 0.370 10 0 "[ . 1 . 2]" 1
616 1 24 LYS H 1 27 GLN H . . 4.360 3.677 3.464 4.003 . 0 0 "[ . 1 . 2]" 1
617 1 24 LYS H 1 27 GLN QB . . 4.140 2.230 1.921 2.627 . 0 0 "[ . 1 . 2]" 1
618 1 24 LYS H 1 27 GLN HE21 . . 5.500 2.609 1.745 4.297 . 0 0 "[ . 1 . 2]" 1
619 1 24 LYS H 1 72 ALA MB . . 4.910 3.244 2.721 3.786 . 0 0 "[ . 1 . 2]" 1
620 1 24 LYS HA 1 24 LYS QG . . 3.590 2.678 2.039 3.415 . 0 0 "[ . 1 . 2]" 1
621 1 24 LYS HA 1 25 LYS H . . 3.330 2.393 2.148 2.667 . 0 0 "[ . 1 . 2]" 1
622 1 24 LYS HA 1 27 GLN QG . . 5.480 4.995 4.548 5.512 0.032 11 0 "[ . 1 . 2]" 1
623 1 24 LYS HB2 1 24 LYS HE2 . . 4.360 4.096 2.379 5.156 0.796 15 2 "[ . 1 + -2]" 1
624 1 24 LYS HB2 1 25 LYS H . . 4.120 3.710 3.168 4.313 0.193 2 0 "[ . 1 . 2]" 1
625 1 24 LYS HB2 1 27 GLN QB . . 4.740 2.811 1.895 4.406 . 0 0 "[ . 1 . 2]" 1
626 1 24 LYS HB3 1 25 LYS H . . 4.370 3.249 1.898 4.364 . 0 0 "[ . 1 . 2]" 1
627 1 24 LYS HB3 1 27 GLN H . . 4.360 3.798 3.091 4.535 0.175 13 0 "[ . 1 . 2]" 1
628 1 24 LYS HB3 1 27 GLN QB . . 4.380 2.353 1.809 3.508 . 0 0 "[ . 1 . 2]" 1
629 1 24 LYS HB3 1 29 LEU QD . . 5.500 5.467 4.755 6.269 0.769 16 5 "[ *.* -*1 .+ 2]" 1
630 1 24 LYS HD2 1 25 LYS H . . 4.330 3.258 1.946 4.937 0.607 4 3 "[ +. *-1 . 2]" 1
631 1 24 LYS HE2 1 25 LYS H . . 4.130 2.561 1.946 3.937 . 0 0 "[ . 1 . 2]" 1
632 1 24 LYS HE2 1 25 LYS HA . . 5.090 4.696 3.722 5.661 0.571 19 2 "[ . 1 -. +2]" 1
633 1 24 LYS HE2 1 25 LYS HB3 . . 5.140 4.505 2.075 5.507 0.367 18 0 "[ . 1 . 2]" 1
634 1 24 LYS HE2 1 25 LYS QG . . 4.380 3.614 2.358 5.082 0.702 18 1 "[ . 1 . + 2]" 1
635 1 24 LYS QG 1 25 LYS H . . 4.280 3.082 1.891 3.864 . 0 0 "[ . 1 . 2]" 1
636 1 24 LYS QG 1 27 GLN QB . . 4.980 3.161 1.916 3.728 . 0 0 "[ . 1 . 2]" 1
637 1 24 LYS QG 1 27 GLN HE21 . . 5.500 4.206 2.398 5.518 0.018 9 0 "[ . 1 . 2]" 1
638 1 25 LYS H 1 25 LYS HB2 . . 3.400 2.627 2.158 3.527 0.127 13 0 "[ . 1 . 2]" 1
639 1 25 LYS H 1 25 LYS HB3 . . 3.490 3.404 2.369 3.674 0.184 16 0 "[ . 1 . 2]" 1
640 1 25 LYS H 1 25 LYS QE . . 5.500 4.729 4.113 5.249 . 0 0 "[ . 1 . 2]" 1
641 1 25 LYS H 1 25 LYS QG . . 4.370 2.422 1.854 3.938 . 0 0 "[ . 1 . 2]" 1
642 1 25 LYS H 1 74 PHE HA . . 4.670 4.302 3.644 4.864 0.194 2 0 "[ . 1 . 2]" 1
643 1 25 LYS H 1 75 ASP H . . 5.120 3.556 2.656 4.458 . 0 0 "[ . 1 . 2]" 1
644 1 25 LYS H 1 75 ASP HA . . 4.040 3.824 3.368 4.226 0.186 16 0 "[ . 1 . 2]" 1
645 1 25 LYS HA 1 25 LYS QG . . 3.820 2.571 2.276 3.266 . 0 0 "[ . 1 . 2]" 1
646 1 25 LYS HA 1 26 GLY H . . 3.480 2.246 2.202 2.360 . 0 0 "[ . 1 . 2]" 1
647 1 25 LYS HA 1 27 GLN H . . 4.620 3.845 3.741 4.014 . 0 0 "[ . 1 . 2]" 1
648 1 25 LYS HA 1 72 ALA MB . . 4.230 3.533 1.922 4.019 . 0 0 "[ . 1 . 2]" 1
649 1 25 LYS HA 1 74 PHE H . . 4.870 3.901 3.665 4.212 . 0 0 "[ . 1 . 2]" 1
650 1 25 LYS HA 1 74 PHE HA . . 4.580 2.403 1.977 3.515 . 0 0 "[ . 1 . 2]" 1
651 1 25 LYS HA 1 75 ASP H . . 5.110 3.196 2.795 3.430 . 0 0 "[ . 1 . 2]" 1
652 1 25 LYS HB2 1 26 GLY H . . 4.430 4.416 3.940 4.622 0.192 1 0 "[ . 1 . 2]" 1
653 1 25 LYS HB2 1 74 PHE HA . . 4.510 3.965 2.532 4.474 . 0 0 "[ . 1 . 2]" 1
654 1 25 LYS HB2 1 75 ASP H . . 4.070 4.228 2.539 4.813 0.743 10 4 "[ * * + - . 2]" 1
655 1 25 LYS HB3 1 25 LYS QE . . 4.420 3.172 1.964 4.016 . 0 0 "[ . 1 . 2]" 1
656 1 25 LYS HB3 1 26 GLY H . . 4.150 4.092 3.895 4.541 0.391 2 0 "[ . 1 . 2]" 1
657 1 25 LYS HB3 1 74 PHE HA . . 4.660 3.232 1.915 4.116 . 0 0 "[ . 1 . 2]" 1
658 1 25 LYS HB3 1 75 ASP H . . 5.310 4.158 3.231 5.243 . 0 0 "[ . 1 . 2]" 1
659 1 25 LYS QE 1 74 PHE HA . . 3.790 3.087 1.911 3.718 . 0 0 "[ . 1 . 2]" 1
660 1 25 LYS QE 1 74 PHE QD . . 5.470 4.489 3.518 5.249 . 0 0 "[ . 1 . 2]" 1
661 1 25 LYS QG 1 74 PHE H . . 5.500 4.724 4.305 5.417 . 0 0 "[ . 1 . 2]" 1
662 1 25 LYS QG 1 74 PHE HA . . 4.310 2.313 1.894 3.760 . 0 0 "[ . 1 . 2]" 1
663 1 25 LYS QG 1 74 PHE HB3 . . 5.500 3.575 2.567 5.361 . 0 0 "[ . 1 . 2]" 1
664 1 25 LYS QG 1 75 ASP H . . 4.940 2.314 1.723 4.564 . 0 0 "[ . 1 . 2]" 1
665 1 26 GLY H 1 27 GLN H . . 4.350 2.162 1.943 2.571 . 0 0 "[ . 1 . 2]" 1
666 1 26 GLY H 1 27 GLN QB . . 5.500 3.953 3.838 4.082 . 0 0 "[ . 1 . 2]" 1
667 1 26 GLY H 1 72 ALA H . . 5.120 3.605 2.539 4.225 . 0 0 "[ . 1 . 2]" 1
668 1 26 GLY H 1 72 ALA MB . . 4.100 2.978 1.912 3.476 . 0 0 "[ . 1 . 2]" 1
669 1 26 GLY H 1 74 PHE H . . 4.820 4.621 3.967 5.157 0.337 13 0 "[ . 1 . 2]" 1
670 1 26 GLY H 1 75 ASP H . . 5.320 5.185 4.231 5.606 0.286 20 0 "[ . 1 . 2]" 1
671 1 27 GLN H 1 27 GLN QB . . 3.510 2.208 2.048 2.343 . 0 0 "[ . 1 . 2]" 1
672 1 27 GLN H 1 27 GLN QG . . 4.710 3.587 2.794 3.995 . 0 0 "[ . 1 . 2]" 1
673 1 27 GLN H 1 28 THR H . . 4.980 4.555 4.468 4.645 . 0 0 "[ . 1 . 2]" 1
674 1 27 GLN H 1 29 LEU QD . . 5.500 4.225 3.815 4.474 . 0 0 "[ . 1 . 2]" 1
675 1 27 GLN H 1 72 ALA MB . . 4.120 2.979 2.363 3.853 . 0 0 "[ . 1 . 2]" 1
676 1 27 GLN HA 1 28 THR H . . 3.240 2.207 2.146 2.374 . 0 0 "[ . 1 . 2]" 1
677 1 27 GLN HA 1 28 THR MG . . 5.500 5.300 5.039 5.470 . 0 0 "[ . 1 . 2]" 1
678 1 27 GLN HA 1 29 LEU QD . . 5.500 4.711 4.025 5.001 . 0 0 "[ . 1 . 2]" 1
679 1 27 GLN HA 1 72 ALA H . . 5.500 4.618 4.190 5.097 . 0 0 "[ . 1 . 2]" 1
680 1 27 GLN QB 1 28 THR H . . 3.810 3.377 2.672 3.645 . 0 0 "[ . 1 . 2]" 1
681 1 27 GLN QB 1 29 LEU QD . . 5.500 2.956 2.347 3.731 . 0 0 "[ . 1 . 2]" 1
682 1 27 GLN QB 1 72 ALA MB . . 4.750 3.186 2.867 3.773 . 0 0 "[ . 1 . 2]" 1
683 1 27 GLN HE22 1 29 LEU QD . . 5.490 3.609 2.491 4.946 . 0 0 "[ . 1 . 2]" 1
684 1 27 GLN HE21 1 29 LEU QD . . 5.500 3.502 2.411 4.790 . 0 0 "[ . 1 . 2]" 1
685 1 27 GLN QG 1 28 THR H . . 4.450 2.791 1.981 3.592 . 0 0 "[ . 1 . 2]" 1
686 1 27 GLN QG 1 29 LEU QD . . 5.170 3.569 1.857 4.351 . 0 0 "[ . 1 . 2]" 1
687 1 27 GLN QG 1 72 ALA MB . . 5.500 4.327 2.247 4.971 . 0 0 "[ . 1 . 2]" 1
688 1 28 THR H 1 28 THR HB . . 3.550 2.907 2.616 3.197 . 0 0 "[ . 1 . 2]" 1
689 1 28 THR H 1 28 THR MG . . 4.390 3.682 3.444 3.801 . 0 0 "[ . 1 . 2]" 1
690 1 28 THR H 1 29 LEU HG . . 4.780 4.705 4.338 5.211 0.431 15 0 "[ . 1 . 2]" 1
691 1 28 THR HA 1 29 LEU HB2 . . 5.500 4.660 4.549 4.847 . 0 0 "[ . 1 . 2]" 1
692 1 28 THR HA 1 29 LEU HG . . 5.500 3.678 3.227 4.937 . 0 0 "[ . 1 . 2]" 1
693 1 28 THR HA 1 29 LEU QD . . 5.500 3.933 2.606 4.301 . 0 0 "[ . 1 . 2]" 1
694 1 28 THR HA 1 30 PHE H . . 4.400 3.921 3.652 4.482 0.082 20 0 "[ . 1 . 2]" 1
695 1 28 THR HA 1 71 LYS H . . 5.500 4.562 4.263 5.207 . 0 0 "[ . 1 . 2]" 1
696 1 28 THR HA 1 71 LYS HA . . 4.040 2.347 2.081 2.854 . 0 0 "[ . 1 . 2]" 1
697 1 28 THR HA 1 71 LYS QB . . 4.700 3.241 2.813 3.770 . 0 0 "[ . 1 . 2]" 1
698 1 28 THR HA 1 71 LYS HG2 . . 5.500 4.753 2.468 5.590 0.090 17 0 "[ . 1 . 2]" 1
699 1 28 THR HA 1 72 ALA H . . 4.480 4.026 3.773 4.460 . 0 0 "[ . 1 . 2]" 1
700 1 28 THR HB 1 29 LEU H . . 4.710 3.756 3.418 4.219 . 0 0 "[ . 1 . 2]" 1
701 1 28 THR HB 1 30 PHE H . . 5.500 5.202 4.736 5.566 0.066 15 0 "[ . 1 . 2]" 1
702 1 28 THR MG 1 29 LEU H . . 4.130 2.529 2.227 2.859 . 0 0 "[ . 1 . 2]" 1
703 1 28 THR MG 1 30 PHE H . . 4.310 3.320 3.014 3.931 . 0 0 "[ . 1 . 2]" 1
704 1 28 THR MG 1 31 ILE HG13 . . 4.410 3.412 2.892 4.404 . 0 0 "[ . 1 . 2]" 1
705 1 28 THR MG 1 31 ILE MD . . 4.020 3.061 2.432 3.806 . 0 0 "[ . 1 . 2]" 1
706 1 28 THR MG 1 69 GLU HB2 . . 4.610 2.891 1.915 4.047 . 0 0 "[ . 1 . 2]" 1
707 1 28 THR MG 1 69 GLU HB3 . . 4.590 2.555 1.881 3.827 . 0 0 "[ . 1 . 2]" 1
708 1 28 THR MG 1 69 GLU QG . . 4.180 3.422 2.685 3.933 . 0 0 "[ . 1 . 2]" 1
709 1 28 THR MG 1 70 ILE H . . 4.230 3.512 2.835 4.251 0.021 15 0 "[ . 1 . 2]" 1
710 1 28 THR MG 1 71 LYS HA . . 5.040 3.724 3.347 4.143 . 0 0 "[ . 1 . 2]" 1
711 1 29 LEU H 1 29 LEU HB3 . . 3.930 3.853 3.778 3.894 . 0 0 "[ . 1 . 2]" 1
712 1 29 LEU H 1 29 LEU HG . . 4.410 2.993 2.562 3.978 . 0 0 "[ . 1 . 2]" 1
713 1 29 LEU H 1 29 LEU QD . . 4.470 3.338 2.273 3.554 . 0 0 "[ . 1 . 2]" 1
714 1 29 LEU H 1 30 PHE H . . 3.830 1.901 1.729 2.335 . 0 0 "[ . 1 . 2]" 1
715 1 29 LEU H 1 70 ILE H . . 5.500 4.330 3.656 4.810 . 0 0 "[ . 1 . 2]" 1
716 1 29 LEU H 1 70 ILE HB . . 5.500 3.981 3.691 4.285 . 0 0 "[ . 1 . 2]" 1
717 1 29 LEU H 1 71 LYS HA . . 4.270 3.025 2.750 3.262 . 0 0 "[ . 1 . 2]" 1
718 1 29 LEU H 1 71 LYS QB . . 5.500 4.600 4.241 5.005 . 0 0 "[ . 1 . 2]" 1
719 1 29 LEU H 1 72 ALA H . . 4.670 4.561 4.032 4.722 0.052 2 0 "[ . 1 . 2]" 1
720 1 29 LEU HA 1 29 LEU QD . . 3.620 2.371 2.163 3.050 . 0 0 "[ . 1 . 2]" 1
721 1 29 LEU HA 1 30 PHE HA . . 5.500 4.534 4.516 4.546 . 0 0 "[ . 1 . 2]" 1
722 1 29 LEU HB2 1 30 PHE H . . 4.210 2.615 2.056 2.877 . 0 0 "[ . 1 . 2]" 1
723 1 29 LEU HB2 1 30 PHE HB2 . . 5.500 3.777 3.407 4.174 . 0 0 "[ . 1 . 2]" 1
724 1 29 LEU HB2 1 30 PHE QD . . 5.390 2.631 1.976 4.095 . 0 0 "[ . 1 . 2]" 1
725 1 29 LEU HB2 1 70 ILE MG . . 5.500 3.194 2.630 3.694 . 0 0 "[ . 1 . 2]" 1
726 1 29 LEU HB2 1 72 ALA H . . 5.500 4.752 4.249 5.255 . 0 0 "[ . 1 . 2]" 1
727 1 29 LEU HB2 1 72 ALA MB . . 5.500 4.553 4.194 5.018 . 0 0 "[ . 1 . 2]" 1
728 1 29 LEU HB3 1 30 PHE H . . 3.820 3.795 3.400 3.984 0.164 17 0 "[ . 1 . 2]" 1
729 1 29 LEU HB3 1 30 PHE HB2 . . 5.500 4.865 4.362 5.245 . 0 0 "[ . 1 . 2]" 1
730 1 29 LEU HB3 1 30 PHE QD . . 5.500 3.281 2.797 4.590 . 0 0 "[ . 1 . 2]" 1
731 1 29 LEU HG 1 30 PHE H . . 5.130 4.181 3.648 4.820 . 0 0 "[ . 1 . 2]" 1
732 1 29 LEU HG 1 71 LYS HA . . 4.750 3.505 2.717 4.877 0.127 11 0 "[ . 1 . 2]" 1
733 1 29 LEU HG 1 72 ALA H . . 4.330 3.274 2.643 4.576 0.246 15 0 "[ . 1 . 2]" 1
734 1 29 LEU HG 1 72 ALA MB . . 4.280 3.288 2.912 3.922 . 0 0 "[ . 1 . 2]" 1
735 1 29 LEU QD 1 30 PHE H . . 5.050 3.884 3.151 4.154 . 0 0 "[ . 1 . 2]" 1
736 1 29 LEU QD 1 70 ILE MG . . 4.470 3.438 2.763 3.754 . 0 0 "[ . 1 . 2]" 1
737 1 29 LEU QD 1 71 LYS HA . . 4.820 3.320 1.868 3.936 . 0 0 "[ . 1 . 2]" 1
738 1 29 LEU QD 1 71 LYS QB . . 5.500 4.288 3.212 4.896 . 0 0 "[ . 1 . 2]" 1
739 1 29 LEU QD 1 72 ALA H . . 4.780 2.549 1.819 3.011 . 0 0 "[ . 1 . 2]" 1
740 1 29 LEU QD 1 72 ALA HA . . 4.150 2.495 2.150 3.025 . 0 0 "[ . 1 . 2]" 1
741 1 29 LEU QD 1 72 ALA MB . . 3.680 1.856 1.759 2.154 . 0 0 "[ . 1 . 2]" 1
742 1 29 LEU QD 1 73 PRO HD2 . . 5.440 3.734 3.429 4.174 . 0 0 "[ . 1 . 2]" 1
743 1 29 LEU QD 1 73 PRO HD3 . . 5.500 4.113 3.697 4.656 . 0 0 "[ . 1 . 2]" 1
744 1 30 PHE H 1 30 PHE QD . . 4.550 3.285 2.614 4.093 . 0 0 "[ . 1 . 2]" 1
745 1 30 PHE H 1 70 ILE H . . 4.350 3.534 3.172 3.921 . 0 0 "[ . 1 . 2]" 1
746 1 30 PHE H 1 70 ILE HB . . 4.240 2.536 2.242 2.756 . 0 0 "[ . 1 . 2]" 1
747 1 30 PHE H 1 70 ILE HG12 . . 5.370 5.111 4.672 5.352 . 0 0 "[ . 1 . 2]" 1
748 1 30 PHE H 1 70 ILE HG13 . . 5.470 5.421 5.182 5.627 0.157 17 0 "[ . 1 . 2]" 1
749 1 30 PHE H 1 70 ILE MD . . 5.130 3.951 3.591 4.299 . 0 0 "[ . 1 . 2]" 1
750 1 30 PHE H 1 70 ILE MG . . 4.720 3.099 2.540 3.572 . 0 0 "[ . 1 . 2]" 1
751 1 30 PHE H 1 71 LYS HA . . 5.220 4.242 3.871 4.593 . 0 0 "[ . 1 . 2]" 1
752 1 30 PHE HA 1 30 PHE QD . . 4.220 2.849 2.039 3.102 . 0 0 "[ . 1 . 2]" 1
753 1 30 PHE HA 1 31 ILE H . . 3.390 2.495 2.377 2.622 . 0 0 "[ . 1 . 2]" 1
754 1 30 PHE HA 1 31 ILE HA . . 4.840 4.525 4.492 4.555 . 0 0 "[ . 1 . 2]" 1
755 1 30 PHE HA 1 31 ILE HB . . 4.660 4.602 4.491 4.790 0.130 16 0 "[ . 1 . 2]" 1
756 1 30 PHE HA 1 31 ILE HG13 . . 4.960 3.364 3.132 3.985 . 0 0 "[ . 1 . 2]" 1
757 1 30 PHE HA 1 31 ILE HG12 . . 5.500 4.576 4.088 5.175 . 0 0 "[ . 1 . 2]" 1
758 1 30 PHE HA 1 70 ILE HB . . 5.400 3.985 3.790 4.276 . 0 0 "[ . 1 . 2]" 1
759 1 30 PHE HA 1 70 ILE MD . . 4.490 3.995 3.762 4.434 . 0 0 "[ . 1 . 2]" 1
760 1 30 PHE HB3 1 31 ILE H . . 3.930 2.288 1.997 2.609 . 0 0 "[ . 1 . 2]" 1
761 1 30 PHE HB3 1 31 ILE HA . . 5.500 4.200 3.972 4.447 . 0 0 "[ . 1 . 2]" 1
762 1 30 PHE HB3 1 31 ILE HB . . 5.500 5.194 4.920 5.460 . 0 0 "[ . 1 . 2]" 1
763 1 30 PHE HB3 1 32 ILE HG13 . . 5.500 4.125 3.700 4.364 . 0 0 "[ . 1 . 2]" 1
764 1 30 PHE HB3 1 32 ILE MD . . 5.420 3.616 2.903 4.461 . 0 0 "[ . 1 . 2]" 1
765 1 30 PHE HB3 1 70 ILE H . . 5.440 4.479 3.863 5.211 . 0 0 "[ . 1 . 2]" 1
766 1 30 PHE HB3 1 70 ILE HB . . 4.420 3.016 2.300 3.523 . 0 0 "[ . 1 . 2]" 1
767 1 30 PHE HB3 1 70 ILE HG12 . . 5.360 3.847 3.210 4.369 . 0 0 "[ . 1 . 2]" 1
768 1 30 PHE HB3 1 70 ILE HG13 . . 5.220 4.989 4.370 5.422 0.202 16 0 "[ . 1 . 2]" 1
769 1 30 PHE HB3 1 70 ILE MD . . 4.800 2.440 1.951 3.143 . 0 0 "[ . 1 . 2]" 1
770 1 30 PHE HB3 1 70 ILE MG . . 4.970 3.801 3.052 4.467 . 0 0 "[ . 1 . 2]" 1
771 1 30 PHE HB2 1 31 ILE H . . 4.920 3.577 3.235 3.963 . 0 0 "[ . 1 . 2]" 1
772 1 30 PHE HB2 1 70 ILE H . . 5.500 4.092 3.845 4.315 . 0 0 "[ . 1 . 2]" 1
773 1 30 PHE HB2 1 70 ILE HB . . 4.490 1.977 1.881 2.094 . 0 0 "[ . 1 . 2]" 1
774 1 30 PHE HB2 1 70 ILE HG12 . . 4.760 3.346 2.896 3.815 . 0 0 "[ . 1 . 2]" 1
775 1 30 PHE HB2 1 70 ILE HG13 . . 4.790 4.442 4.122 4.786 . 0 0 "[ . 1 . 2]" 1
776 1 30 PHE HB2 1 70 ILE MD . . 4.000 2.783 2.177 3.324 . 0 0 "[ . 1 . 2]" 1
777 1 30 PHE HB2 1 70 ILE MG . . 4.490 2.540 2.037 3.046 . 0 0 "[ . 1 . 2]" 1
778 1 30 PHE HB2 1 96 LEU QD . . 4.550 3.573 2.843 4.165 . 0 0 "[ . 1 . 2]" 1
779 1 30 PHE HZ 1 97 VAL HA . . 5.500 5.320 4.672 5.682 0.182 11 0 "[ . 1 . 2]" 1
780 1 30 PHE HZ 1 97 VAL HB . . 4.560 3.120 1.974 3.877 . 0 0 "[ . 1 . 2]" 1
781 1 30 PHE HZ 1 97 VAL QG . . 4.640 2.952 1.853 4.141 . 0 0 "[ . 1 . 2]" 1
782 1 30 PHE QD 1 31 ILE H . . 4.480 3.224 2.381 3.912 . 0 0 "[ . 1 . 2]" 1
783 1 30 PHE QD 1 70 ILE H . . 5.430 5.514 5.363 5.695 0.265 17 0 "[ . 1 . 2]" 1
784 1 30 PHE QD 1 70 ILE HB . . 4.400 3.700 3.334 4.072 . 0 0 "[ . 1 . 2]" 1
785 1 30 PHE QD 1 70 ILE HG12 . . 5.380 4.805 4.463 5.355 . 0 0 "[ . 1 . 2]" 1
786 1 30 PHE QD 1 70 ILE MD . . 4.550 4.093 3.766 4.562 0.012 19 0 "[ . 1 . 2]" 1
787 1 30 PHE QD 1 70 ILE MG . . 4.100 2.952 2.115 3.895 . 0 0 "[ . 1 . 2]" 1
788 1 30 PHE QE 1 97 VAL QG . . 3.710 2.146 1.885 2.883 . 0 0 "[ . 1 . 2]" 1
789 1 31 ILE H 1 31 ILE HB . . 4.210 2.949 2.874 3.040 . 0 0 "[ . 1 . 2]" 1
790 1 31 ILE H 1 31 ILE HG13 . . 4.780 3.129 2.847 3.522 . 0 0 "[ . 1 . 2]" 1
791 1 31 ILE H 1 31 ILE HG12 . . 4.910 4.018 3.699 4.485 . 0 0 "[ . 1 . 2]" 1
792 1 31 ILE H 1 31 ILE MD . . 4.960 4.205 2.605 4.449 . 0 0 "[ . 1 . 2]" 1
793 1 31 ILE H 1 32 ILE H . . 5.230 4.254 3.888 4.375 . 0 0 "[ . 1 . 2]" 1
794 1 31 ILE H 1 32 ILE HG12 . . 5.500 5.367 4.975 5.592 0.092 16 0 "[ . 1 . 2]" 1
795 1 31 ILE HA 1 31 ILE MD . . 3.780 3.772 3.467 3.848 0.068 16 0 "[ . 1 . 2]" 1
796 1 31 ILE HA 1 32 ILE H . . 3.150 2.193 2.156 2.255 . 0 0 "[ . 1 . 2]" 1
797 1 31 ILE HA 1 70 ILE HB . . 5.360 3.887 3.432 4.353 . 0 0 "[ . 1 . 2]" 1
798 1 31 ILE HB 1 31 ILE MD . . 3.670 2.402 2.098 2.502 . 0 0 "[ . 1 . 2]" 1
799 1 31 ILE HB 1 32 ILE H . . 4.920 3.980 3.708 4.299 . 0 0 "[ . 1 . 2]" 1
800 1 31 ILE HB 1 70 ILE MD . . 4.670 4.304 4.138 4.744 0.074 15 0 "[ . 1 . 2]" 1
801 1 31 ILE HG13 1 32 ILE H . . 5.130 5.051 4.457 5.267 0.137 15 0 "[ . 1 . 2]" 1
802 1 31 ILE HG12 1 32 ILE H . . 4.500 4.466 4.242 5.101 0.601 3 2 "[ +-. 1 . 2]" 1
803 1 31 ILE MD 1 70 ILE H . . 4.740 4.741 4.324 4.847 0.107 14 0 "[ . 1 . 2]" 1
804 1 31 ILE MG 1 32 ILE H . . 3.820 2.341 2.072 2.880 . 0 0 "[ . 1 . 2]" 1
805 1 31 ILE MG 1 67 HIS QB . . 3.580 2.648 2.269 3.132 . 0 0 "[ . 1 . 2]" 1
806 1 31 ILE MG 1 68 THR H . . 4.730 3.563 3.045 4.155 . 0 0 "[ . 1 . 2]" 1
807 1 32 ILE H 1 32 ILE HB . . 3.600 2.724 2.529 2.798 . 0 0 "[ . 1 . 2]" 1
808 1 32 ILE H 1 32 ILE HG13 . . 4.380 3.471 3.283 3.560 . 0 0 "[ . 1 . 2]" 1
809 1 32 ILE H 1 32 ILE MD . . 4.480 3.949 3.349 4.320 . 0 0 "[ . 1 . 2]" 1
810 1 32 ILE H 1 67 HIS QB . . 5.290 4.149 3.143 4.842 . 0 0 "[ . 1 . 2]" 1
811 1 32 ILE H 1 68 THR H . . 4.320 3.302 2.602 3.856 . 0 0 "[ . 1 . 2]" 1
812 1 32 ILE H 1 68 THR HB . . 4.400 3.796 3.376 4.249 . 0 0 "[ . 1 . 2]" 1
813 1 32 ILE H 1 70 ILE MD . . 5.320 2.428 2.049 2.708 . 0 0 "[ . 1 . 2]" 1
814 1 32 ILE HA 1 32 ILE HG12 . . 4.180 2.790 2.548 3.038 . 0 0 "[ . 1 . 2]" 1
815 1 32 ILE HA 1 32 ILE MD . . 4.680 3.767 3.661 3.826 . 0 0 "[ . 1 . 2]" 1
816 1 32 ILE HA 1 33 GLU H . . 3.450 2.194 2.154 2.234 . 0 0 "[ . 1 . 2]" 1
817 1 32 ILE HA 1 33 GLU HB3 . . 4.930 4.330 4.138 4.484 . 0 0 "[ . 1 . 2]" 1
818 1 32 ILE HB 1 68 THR H . . 4.530 4.466 3.857 4.664 0.134 18 0 "[ . 1 . 2]" 1
819 1 32 ILE HB 1 68 THR HB . . 3.760 3.627 3.155 3.980 0.220 7 0 "[ . 1 . 2]" 1
820 1 32 ILE HB 1 68 THR MG . . 4.990 4.052 1.900 4.796 . 0 0 "[ . 1 . 2]" 1
821 1 32 ILE HG12 1 33 GLU H . . 4.170 4.122 3.921 4.267 0.097 1 0 "[ . 1 . 2]" 1
822 1 32 ILE MD 1 70 ILE HG12 . . 4.120 2.746 2.228 3.302 . 0 0 "[ . 1 . 2]" 1
823 1 32 ILE MD 1 70 ILE HG13 . . 4.530 3.535 2.833 3.992 . 0 0 "[ . 1 . 2]" 1
824 1 32 ILE MD 1 70 ILE MD . . 3.540 1.946 1.770 2.344 . 0 0 "[ . 1 . 2]" 1
825 1 32 ILE MD 1 89 VAL QG . . 3.150 1.970 1.667 2.351 . 0 0 "[ . 1 . 2]" 1
826 1 32 ILE MG 1 33 GLU H . . 3.690 2.244 2.076 2.417 . 0 0 "[ . 1 . 2]" 1
827 1 32 ILE MG 1 33 GLU HA . . 4.050 3.594 3.475 3.784 . 0 0 "[ . 1 . 2]" 1
828 1 32 ILE MG 1 34 GLN H . . 5.130 4.074 3.201 4.426 . 0 0 "[ . 1 . 2]" 1
829 1 32 ILE MG 1 34 GLN HA . . 4.380 4.035 3.331 4.442 0.062 19 0 "[ . 1 . 2]" 1
830 1 32 ILE MG 1 34 GLN QB . . 5.210 3.707 2.805 4.927 . 0 0 "[ . 1 . 2]" 1
831 1 32 ILE MG 1 34 GLN QG . . 4.550 4.250 3.494 4.778 0.228 18 0 "[ . 1 . 2]" 1
832 1 32 ILE MG 1 68 THR H . . 4.720 4.236 4.014 4.605 . 0 0 "[ . 1 . 2]" 1
833 1 32 ILE MG 1 68 THR HB . . 4.340 3.776 3.398 4.357 0.017 4 0 "[ . 1 . 2]" 1
834 1 32 ILE MG 1 89 VAL H . . 5.500 4.267 3.902 4.604 . 0 0 "[ . 1 . 2]" 1
835 1 33 GLU H 1 33 GLU HB3 . . 3.690 2.511 2.274 2.963 . 0 0 "[ . 1 . 2]" 1
836 1 33 GLU H 1 33 GLU HB2 . . 3.880 3.383 3.034 3.746 . 0 0 "[ . 1 . 2]" 1
837 1 33 GLU H 1 33 GLU QG . . 4.460 3.259 1.951 4.088 . 0 0 "[ . 1 . 2]" 1
838 1 33 GLU H 1 34 GLN H . . 4.890 4.455 4.116 4.536 . 0 0 "[ . 1 . 2]" 1
839 1 33 GLU H 1 34 GLN HA . . 5.500 5.154 4.945 5.310 . 0 0 "[ . 1 . 2]" 1
840 1 33 GLU H 1 67 HIS HD2 . . 5.500 5.144 4.705 5.577 0.077 4 0 "[ . 1 . 2]" 1
841 1 33 GLU HA 1 33 GLU QG . . 3.460 2.941 2.567 3.449 . 0 0 "[ . 1 . 2]" 1
842 1 33 GLU HA 1 34 GLN H . . 3.110 2.183 2.140 2.305 . 0 0 "[ . 1 . 2]" 1
843 1 33 GLU HA 1 34 GLN QE . . 3.790 2.975 2.570 3.428 . 0 0 "[ . 1 . 2]" 1
844 1 33 GLU HA 1 67 HIS HA . . 3.520 2.231 1.865 2.574 . 0 0 "[ . 1 . 2]" 1
845 1 33 GLU HA 1 67 HIS QB . . 4.030 3.466 1.852 3.903 . 0 0 "[ . 1 . 2]" 1
846 1 33 GLU HA 1 68 THR H . . 3.780 2.946 2.683 3.618 . 0 0 "[ . 1 . 2]" 1
847 1 33 GLU HB3 1 67 HIS HD2 . . 5.020 3.373 2.100 4.346 . 0 0 "[ . 1 . 2]" 1
848 1 33 GLU HB3 1 68 THR H . . 5.500 5.241 4.452 6.108 0.608 4 1 "[ +. 1 . 2]" 1
849 1 33 GLU HB2 1 34 GLN H . . 4.570 3.640 2.819 4.359 . 0 0 "[ . 1 . 2]" 1
850 1 33 GLU HB2 1 67 HIS QB . . 4.940 3.877 2.267 4.719 . 0 0 "[ . 1 . 2]" 1
851 1 33 GLU HB2 1 67 HIS HD2 . . 4.630 2.282 1.963 2.896 . 0 0 "[ . 1 . 2]" 1
852 1 33 GLU QG 1 34 GLN H . . 4.450 3.126 2.283 4.279 . 0 0 "[ . 1 . 2]" 1
853 1 33 GLU QG 1 65 LEU QB . . 5.080 3.766 2.921 4.866 . 0 0 "[ . 1 . 2]" 1
854 1 33 GLU QG 1 65 LEU QD . . 4.510 3.802 3.173 4.260 . 0 0 "[ . 1 . 2]" 1
855 1 33 GLU QG 1 67 HIS HA . . 5.200 4.210 3.468 5.192 . 0 0 "[ . 1 . 2]" 1
856 1 33 GLU QG 1 67 HIS QB . . 5.500 4.826 3.541 5.392 . 0 0 "[ . 1 . 2]" 1
857 1 33 GLU QG 1 67 HIS HD2 . . 4.370 3.064 2.055 4.212 . 0 0 "[ . 1 . 2]" 1
858 1 34 GLN H 1 34 GLN QB . . 3.790 2.808 2.180 3.317 . 0 0 "[ . 1 . 2]" 1
859 1 34 GLN H 1 34 GLN QE . . 5.500 2.637 1.781 3.781 . 0 0 "[ . 1 . 2]" 1
860 1 34 GLN H 1 34 GLN QG . . 3.870 3.048 2.104 3.889 0.019 16 0 "[ . 1 . 2]" 1
861 1 34 GLN H 1 35 ASP H . . 4.890 4.177 1.647 4.648 . 0 0 "[ . 1 . 2]" 1
862 1 34 GLN H 1 66 ASP HB3 . . 5.500 5.027 3.565 5.562 0.062 9 0 "[ . 1 . 2]" 1
863 1 34 GLN H 1 66 ASP HB2 . . 5.440 5.286 4.307 5.531 0.091 9 0 "[ . 1 . 2]" 1
864 1 34 GLN H 1 67 HIS HA . . 4.420 3.225 2.441 3.904 . 0 0 "[ . 1 . 2]" 1
865 1 34 GLN H 1 67 HIS QB . . 5.500 5.024 3.700 5.397 . 0 0 "[ . 1 . 2]" 1
866 1 34 GLN H 1 67 HIS HD2 . . 4.880 4.058 3.071 5.035 0.155 4 0 "[ . 1 . 2]" 1
867 1 34 GLN HA 1 34 GLN QE . . 5.500 3.659 2.152 5.016 . 0 0 "[ . 1 . 2]" 1
868 1 34 GLN HA 1 34 GLN QG . . 3.820 3.081 2.154 3.519 . 0 0 "[ . 1 . 2]" 1
869 1 34 GLN HA 1 35 ASP H . . 3.160 2.632 2.263 3.416 0.256 13 0 "[ . 1 . 2]" 1
870 1 34 GLN HA 1 35 ASP QB . . 4.390 4.075 3.772 4.362 . 0 0 "[ . 1 . 2]" 1
871 1 34 GLN QB 1 35 ASP H . . 3.970 2.386 1.912 3.686 . 0 0 "[ . 1 . 2]" 1
872 1 34 GLN QB 1 35 ASP QB . . 5.220 4.248 3.272 4.703 . 0 0 "[ . 1 . 2]" 1
873 1 34 GLN QE 1 68 THR HB . . 5.500 2.118 1.896 2.888 . 0 0 "[ . 1 . 2]" 1
874 1 34 GLN QE 1 68 THR MG . . 5.500 3.442 2.872 4.279 . 0 0 "[ . 1 . 2]" 1
875 1 34 GLN QG 1 35 ASP H . . 4.110 3.109 2.039 4.111 0.001 18 0 "[ . 1 . 2]" 1
876 1 34 GLN QG 1 35 ASP HA . . 5.500 4.324 3.054 5.736 0.236 9 0 "[ . 1 . 2]" 1
877 1 34 GLN QG 1 36 GLN H . . 4.230 3.591 1.879 4.402 0.172 17 0 "[ . 1 . 2]" 1
878 1 34 GLN QG 1 36 GLN QE . . 3.800 2.790 1.848 3.479 . 0 0 "[ . 1 . 2]" 1
879 1 34 GLN QG 1 68 THR H . . 5.500 5.245 4.580 5.551 0.051 17 0 "[ . 1 . 2]" 1
880 1 34 GLN QG 1 68 THR HB . . 5.040 4.624 4.098 5.112 0.072 4 0 "[ . 1 . 2]" 1
881 1 35 ASP H 1 35 ASP QB . . 3.450 2.735 2.148 3.214 . 0 0 "[ . 1 . 2]" 1
882 1 35 ASP HA 1 36 GLN H . . 3.380 3.059 2.169 3.563 0.183 18 0 "[ . 1 . 2]" 1
883 1 35 ASP QB 1 36 GLN H . . 4.270 3.448 1.879 4.039 . 0 0 "[ . 1 . 2]" 1
884 1 36 GLN H 1 36 GLN HB2 . . 4.060 3.418 2.070 4.010 . 0 0 "[ . 1 . 2]" 1
885 1 36 GLN H 1 36 GLN HB3 . . 3.680 3.467 2.557 4.023 0.343 20 0 "[ . 1 . 2]" 1
886 1 36 GLN H 1 36 GLN QG . . 4.460 2.877 1.926 4.190 . 0 0 "[ . 1 . 2]" 1
887 1 36 GLN H 1 37 ALA H . . 4.380 3.086 1.857 4.646 0.266 18 0 "[ . 1 . 2]" 1
888 1 36 GLN HA 1 36 GLN QG . . 3.790 2.943 2.136 3.453 . 0 0 "[ . 1 . 2]" 1
889 1 36 GLN HA 1 37 ALA MB . . 4.760 4.537 3.926 5.013 0.253 12 0 "[ . 1 . 2]" 1
890 1 36 GLN HA 1 39 LYS QD . . 4.900 5.005 4.791 5.616 0.716 20 1 "[ . 1 . +]" 1
891 1 36 GLN HB2 1 37 ALA H . . 4.550 3.838 2.899 4.525 . 0 0 "[ . 1 . 2]" 1
892 1 36 GLN HB2 1 37 ALA MB . . 5.500 5.037 4.186 5.888 0.388 19 0 "[ . 1 . 2]" 1
893 1 36 GLN HB3 1 37 ALA H . . 4.800 3.834 1.890 4.628 . 0 0 "[ . 1 . 2]" 1
894 1 36 GLN HB3 1 37 ALA MB . . 5.500 5.101 3.475 5.916 0.416 11 0 "[ . 1 . 2]" 1
895 1 36 GLN QG 1 37 ALA H . . 5.500 3.985 2.353 4.771 . 0 0 "[ . 1 . 2]" 1
896 1 36 GLN QG 1 37 ALA MB . . 5.500 4.856 3.569 5.489 . 0 0 "[ . 1 . 2]" 1
897 1 37 ALA H 1 37 ALA MB . . 3.510 2.186 2.026 2.356 . 0 0 "[ . 1 . 2]" 1
898 1 37 ALA H 1 38 SER H . . 4.980 2.774 2.129 3.291 . 0 0 "[ . 1 . 2]" 1
899 1 37 ALA HA 1 41 PHE QB . . 5.500 5.343 4.555 5.810 0.310 3 0 "[ . 1 . 2]" 1
900 1 37 ALA MB 1 38 SER H . . 4.460 3.006 1.895 3.686 . 0 0 "[ . 1 . 2]" 1
901 1 37 ALA MB 1 38 SER HA . . 4.590 4.443 3.798 5.043 0.453 1 0 "[ . 1 . 2]" 1
902 1 37 ALA MB 1 38 SER HB2 . . 4.960 4.221 2.943 5.923 0.963 14 4 "[ . * - +. *]" 1
903 1 37 ALA MB 1 41 PHE QB . . 5.500 3.882 2.686 5.402 . 0 0 "[ . 1 . 2]" 1
904 1 38 SER H 1 38 SER HB2 . . 4.210 3.385 2.775 4.110 . 0 0 "[ . 1 . 2]" 1
905 1 38 SER H 1 38 SER HB3 . . 4.060 3.516 2.501 4.112 0.052 9 0 "[ . 1 . 2]" 1
906 1 38 SER H 1 41 PHE QB . . 5.500 4.328 2.560 5.544 0.044 18 0 "[ . 1 . 2]" 1
907 1 38 SER HA 1 39 LYS HB2 . . 5.500 4.942 4.354 6.164 0.664 10 3 "[ * . + . -]" 1
908 1 38 SER HA 1 39 LYS QD . . 4.190 3.620 2.908 4.433 0.243 7 0 "[ . 1 . 2]" 1
909 1 38 SER HA 1 41 PHE QB . . 4.740 4.300 3.024 5.072 0.332 18 0 "[ . 1 . 2]" 1
910 1 38 SER HB2 1 41 PHE QB . . 5.020 3.402 1.899 5.266 0.246 3 0 "[ . 1 . 2]" 1
911 1 38 SER HB3 1 41 PHE QB . . 5.010 3.264 2.007 5.333 0.323 3 0 "[ . 1 . 2]" 1
912 1 39 LYS HA 1 39 LYS HG2 . . 3.610 3.600 3.247 4.166 0.556 3 1 "[ + . 1 . 2]" 1
913 1 39 LYS HA 1 39 LYS HG3 . . 3.620 3.171 2.376 4.221 0.601 10 1 "[ . + . 2]" 1
914 1 39 LYS HA 1 39 LYS QD . . 3.640 2.354 1.890 3.717 0.077 3 0 "[ . 1 . 2]" 1
915 1 39 LYS HB2 1 40 ASP H . . 4.160 3.083 2.176 4.503 0.343 10 0 "[ . 1 . 2]" 1
916 1 39 LYS QD 1 39 LYS HG2 . . 2.570 2.295 2.172 2.454 . 0 0 "[ . 1 . 2]" 1
917 1 39 LYS HG2 1 40 ASP H . . 5.340 4.677 3.808 5.754 0.414 4 0 "[ . 1 . 2]" 1
918 1 39 LYS HE2 1 39 LYS HG3 . . 3.610 3.098 1.993 4.237 0.627 8 3 "[ -. + 1 . *]" 1
919 1 39 LYS QD 1 41 PHE QB . . 5.500 5.422 3.685 6.093 0.593 9 1 "[ . +1 . 2]" 1
920 1 40 ASP H 1 40 ASP HB2 . . 4.070 2.790 2.147 3.891 . 0 0 "[ . 1 . 2]" 1
921 1 40 ASP H 1 40 ASP HB3 . . 3.840 3.186 2.590 3.616 . 0 0 "[ . 1 . 2]" 1
922 1 40 ASP H 1 41 PHE H . . 4.860 2.517 1.729 3.102 . 0 0 "[ . 1 . 2]" 1
923 1 41 PHE H 1 41 PHE QB . . 3.440 2.449 2.089 2.993 . 0 0 "[ . 1 . 2]" 1
924 1 41 PHE H 1 41 PHE QD . . 4.920 3.519 2.107 4.329 . 0 0 "[ . 1 . 2]" 1
925 1 41 PHE H 1 42 ASN H . . 4.300 3.091 1.879 4.366 0.066 19 0 "[ . 1 . 2]" 1
926 1 41 PHE HA 1 41 PHE QD . . 3.690 2.663 2.082 3.666 . 0 0 "[ . 1 . 2]" 1
927 1 41 PHE QB 1 42 ASN H . . 5.170 2.502 1.816 3.807 . 0 0 "[ . 1 . 2]" 1
928 1 41 PHE QB 1 42 ASN HA . . 4.230 4.135 3.619 4.640 0.410 14 0 "[ . 1 . 2]" 1
929 1 42 ASN H 1 42 ASN HB2 . . 3.810 3.546 2.653 4.122 0.312 14 0 "[ . 1 . 2]" 1
930 1 42 ASN HA 1 43 ARG QB . . 5.310 4.047 3.723 4.535 . 0 0 "[ . 1 . 2]" 1
931 1 42 ASN HA 1 44 SER H . . 5.270 4.288 3.414 5.236 . 0 0 "[ . 1 . 2]" 1
932 1 42 ASN HB3 1 43 ARG QB . . 5.500 5.474 4.304 6.233 0.733 19 5 "[* . *-* . +2]" 1
933 1 43 ARG HA 1 43 ARG HG2 . . 3.200 2.908 2.057 3.795 0.595 1 1 "[+ . 1 . 2]" 1
934 1 43 ARG HA 1 43 ARG HG3 . . 3.930 2.986 2.066 4.027 0.097 2 0 "[ . 1 . 2]" 1
935 1 43 ARG HA 1 43 ARG QD . . 4.040 3.376 2.153 4.236 0.196 1 0 "[ . 1 . 2]" 1
936 1 43 ARG HA 1 44 SER QB . . 5.500 4.537 3.786 5.547 0.047 2 0 "[ . 1 . 2]" 1
937 1 43 ARG QB 1 43 ARG QD . . 3.250 2.118 1.940 2.336 . 0 0 "[ . 1 . 2]" 1
938 1 43 ARG QB 1 44 SER QB . . 5.500 4.643 4.147 5.357 . 0 0 "[ . 1 . 2]" 1
939 1 44 SER HA 1 44 SER QB . . 2.790 2.309 2.161 2.536 . 0 0 "[ . 1 . 2]" 1
940 1 44 SER QB 1 45 LYS H . . 5.500 3.058 1.905 4.028 . 0 0 "[ . 1 . 2]" 1
941 1 44 SER QB 1 47 LEU MD1 . . 4.840 4.581 3.110 5.501 0.661 18 1 "[ . 1 . + 2]" 1
942 1 44 SER QB 1 47 LEU MD2 . . 5.360 4.678 3.218 5.863 0.503 19 1 "[ . 1 . +2]" 1
943 1 45 LYS H 1 45 LYS HB2 . . 3.860 2.622 2.071 3.567 . 0 0 "[ . 1 . 2]" 1
944 1 45 LYS H 1 45 LYS HG3 . . 5.150 2.854 1.978 4.011 . 0 0 "[ . 1 . 2]" 1
945 1 45 LYS HA 1 45 LYS HG3 . . 3.350 2.754 2.091 4.158 0.808 15 1 "[ . 1 + 2]" 1
946 1 45 LYS HB2 1 46 ALA H . . 4.890 2.447 1.944 3.571 . 0 0 "[ . 1 . 2]" 1
947 1 45 LYS HB2 1 46 ALA MB . . 4.150 3.616 3.134 4.395 0.245 4 0 "[ . 1 . 2]" 1
948 1 45 LYS HB3 1 46 ALA MB . . 3.710 3.889 3.201 4.608 0.898 15 4 "[ *. 1- + *2]" 1
949 1 45 LYS QE 1 64 THR HA . . 5.500 4.474 2.362 5.620 0.120 15 0 "[ . 1 . 2]" 1
950 1 45 LYS QE 1 64 THR HB . . 5.500 4.603 2.433 5.570 0.070 17 0 "[ . 1 . 2]" 1
951 1 45 LYS QE 1 64 THR MG . . 5.360 4.384 1.971 5.438 0.078 11 0 "[ . 1 . 2]" 1
952 1 45 LYS QE 1 65 LEU QB . . 4.890 4.684 4.365 4.870 . 0 0 "[ . 1 . 2]" 1
953 1 46 ALA HA 1 47 LEU H . . 3.400 2.558 2.157 3.501 0.101 13 0 "[ . 1 . 2]" 1
954 1 46 ALA HA 1 47 LEU HG . . 4.510 4.069 3.520 5.043 0.533 17 1 "[ . 1 . + 2]" 1
955 1 46 ALA HA 1 47 LEU MD2 . . 5.500 4.740 2.233 5.629 0.129 19 0 "[ . 1 . 2]" 1
956 1 46 ALA MB 1 47 LEU H . . 3.940 2.817 1.912 3.721 . 0 0 "[ . 1 . 2]" 1
957 1 47 LEU H 1 47 LEU HG . . 4.190 3.043 2.172 4.157 . 0 0 "[ . 1 . 2]" 1
958 1 47 LEU H 1 47 LEU MD2 . . 4.880 3.814 2.047 4.725 . 0 0 "[ . 1 . 2]" 1
959 1 47 LEU H 1 48 PHE HA . . 5.500 5.149 4.408 5.684 0.184 18 0 "[ . 1 . 2]" 1
960 1 47 LEU H 1 48 PHE QD . . 5.500 5.041 3.790 5.753 0.253 11 0 "[ . 1 . 2]" 1
961 1 47 LEU HA 1 47 LEU HG . . 3.830 2.953 2.381 3.858 0.028 17 0 "[ . 1 . 2]" 1
962 1 47 LEU HA 1 47 LEU MD2 . . 3.340 2.887 2.035 3.626 0.286 1 0 "[ . 1 . 2]" 1
963 1 47 LEU HA 1 48 PHE HA . . 5.220 4.479 4.307 4.915 . 0 0 "[ . 1 . 2]" 1
964 1 47 LEU HA 1 48 PHE QB . . 4.520 4.298 3.806 4.538 0.018 11 0 "[ . 1 . 2]" 1
965 1 47 LEU HA 1 48 PHE QD . . 5.500 3.524 3.020 4.974 . 0 0 "[ . 1 . 2]" 1
966 1 47 LEU QB 1 48 PHE H . . 4.550 2.894 1.900 3.873 . 0 0 "[ . 1 . 2]" 1
967 1 47 LEU QB 1 48 PHE QD . . 5.300 3.694 2.280 4.642 . 0 0 "[ . 1 . 2]" 1
968 1 47 LEU QB 1 49 SER QB . . 5.500 4.504 3.224 5.118 . 0 0 "[ . 1 . 2]" 1
969 1 47 LEU QB 1 48 PHE QB . . 5.500 4.420 3.878 4.885 . 0 0 "[ . 1 . 2]" 1
970 1 47 LEU MD2 1 48 PHE H . . 5.500 4.155 3.506 5.449 . 0 0 "[ . 1 . 2]" 1
971 1 48 PHE H 1 48 PHE QB . . 3.890 2.945 2.193 3.367 . 0 0 "[ . 1 . 2]" 1
972 1 48 PHE H 1 48 PHE QD . . 5.300 2.920 1.918 4.245 . 0 0 "[ . 1 . 2]" 1
973 1 48 PHE HA 1 48 PHE QD . . 3.960 3.405 2.009 3.728 . 0 0 "[ . 1 . 2]" 1
974 1 48 PHE HA 1 53 ILE H . . 5.500 4.457 2.758 5.538 0.038 9 0 "[ . 1 . 2]" 1
975 1 48 PHE HA 1 53 ILE HG13 . . 5.500 5.109 3.962 5.797 0.297 5 0 "[ . 1 . 2]" 1
976 1 48 PHE QB 1 52 ALA MB . . 5.500 4.313 2.677 5.189 . 0 0 "[ . 1 . 2]" 1
977 1 49 SER QB 1 52 ALA MB . . 4.450 3.221 1.799 4.156 . 0 0 "[ . 1 . 2]" 1
978 1 50 GLN HA 1 50 GLN QG . . 3.520 2.602 2.011 3.364 . 0 0 "[ . 1 . 2]" 1
979 1 50 GLN HB2 1 51 SER QB . . 5.120 4.808 4.119 5.929 0.809 6 4 "[* - .+* 1 . 2]" 1
980 1 50 GLN QG 1 51 SER QB . . 4.800 4.059 2.992 4.792 . 0 0 "[ . 1 . 2]" 1
981 1 51 SER HA 1 51 SER QB . . 2.670 2.365 2.176 2.538 . 0 0 "[ . 1 . 2]" 1
982 1 51 SER QB 1 52 ALA HA . . 5.500 4.408 3.947 4.937 . 0 0 "[ . 1 . 2]" 1
983 1 51 SER QB 1 53 ILE H . . 5.270 5.008 4.245 5.285 0.015 18 0 "[ . 1 . 2]" 1
984 1 52 ALA HA 1 53 ILE HG12 . . 5.450 4.921 3.604 5.448 . 0 0 "[ . 1 . 2]" 1
985 1 52 ALA HA 1 53 ILE HG13 . . 5.240 4.834 3.923 5.525 0.285 13 0 "[ . 1 . 2]" 1
986 1 52 ALA MB 1 53 ILE H . . 4.150 2.543 2.175 3.044 . 0 0 "[ . 1 . 2]" 1
987 1 53 ILE H 1 53 ILE HB . . 3.690 3.304 2.679 3.951 0.261 4 0 "[ . 1 . 2]" 1
988 1 53 ILE H 1 53 ILE HG12 . . 4.320 3.395 2.573 4.350 0.030 18 0 "[ . 1 . 2]" 1
989 1 53 ILE H 1 53 ILE HG13 . . 4.070 2.773 2.041 4.235 0.165 15 0 "[ . 1 . 2]" 1
990 1 53 ILE H 1 53 ILE MD . . 4.450 4.104 3.699 4.648 0.198 15 0 "[ . 1 . 2]" 1
991 1 53 ILE H 1 54 SER H . . 5.500 3.789 1.876 4.647 . 0 0 "[ . 1 . 2]" 1
992 1 53 ILE HA 1 53 ILE HG12 . . 3.950 3.162 2.352 3.838 . 0 0 "[ . 1 . 2]" 1
993 1 53 ILE HA 1 53 ILE HG13 . . 3.860 3.365 2.903 3.643 . 0 0 "[ . 1 . 2]" 1
994 1 53 ILE HA 1 53 ILE MD . . 4.540 3.967 3.566 4.169 . 0 0 "[ . 1 . 2]" 1
995 1 53 ILE HA 1 53 ILE MG . . 3.440 2.270 2.043 2.486 . 0 0 "[ . 1 . 2]" 1
996 1 53 ILE HA 1 58 TYR QD . . 5.500 5.371 4.544 5.660 0.160 17 0 "[ . 1 . 2]" 1
997 1 53 ILE HB 1 54 SER H . . 4.680 3.529 1.832 4.479 . 0 0 "[ . 1 . 2]" 1
998 1 53 ILE HG12 1 58 TYR QB . . 5.190 4.964 4.170 5.746 0.556 13 1 "[ . 1 + . 2]" 1
999 1 53 ILE MD 1 58 TYR QB . . 4.780 3.558 2.340 4.372 . 0 0 "[ . 1 . 2]" 1
1000 1 53 ILE MD 1 58 TYR QD . . 5.430 3.369 1.876 4.542 . 0 0 "[ . 1 . 2]" 1
1001 1 53 ILE HG13 1 53 ILE MG . . 3.300 3.162 3.091 3.202 . 0 0 "[ . 1 . 2]" 1
1002 1 53 ILE MG 1 54 SER H . . 5.500 3.256 1.992 4.358 . 0 0 "[ . 1 . 2]" 1
1003 1 53 ILE MG 1 54 SER HB2 . . 5.420 4.949 3.775 5.462 0.042 13 0 "[ . 1 . 2]" 1
1004 1 54 SER H 1 54 SER HB2 . . 4.130 2.687 2.074 3.582 . 0 0 "[ . 1 . 2]" 1
1005 1 54 SER HA 1 54 SER HB2 . . 2.870 2.839 2.542 3.002 0.132 16 0 "[ . 1 . 2]" 1
1006 1 54 SER HA 1 56 LYS QG . . 4.590 3.648 2.779 4.601 0.011 5 0 "[ . 1 . 2]" 1
1007 1 54 SER HB2 1 56 LYS H . . 5.500 4.281 2.893 5.602 0.102 13 0 "[ . 1 . 2]" 1
1008 1 55 GLN H 1 56 LYS H . . 5.500 2.682 2.133 3.178 . 0 0 "[ . 1 . 2]" 1
1009 1 55 GLN HA 1 55 GLN HE21 . . 5.500 4.748 3.649 5.349 . 0 0 "[ . 1 . 2]" 1
1010 1 55 GLN HA 1 55 GLN QG . . 3.510 2.708 2.197 3.471 . 0 0 "[ . 1 . 2]" 1
1011 1 55 GLN HA 1 58 TYR QB . . 3.830 2.716 2.006 3.787 . 0 0 "[ . 1 . 2]" 1
1012 1 55 GLN HA 1 58 TYR QD . . 5.200 3.830 2.638 5.226 0.026 11 0 "[ . 1 . 2]" 1
1013 1 55 GLN HB2 1 56 LYS H . . 4.690 3.554 2.685 4.378 . 0 0 "[ . 1 . 2]" 1
1014 1 55 GLN HB3 1 56 LYS H . . 4.830 3.801 2.880 4.204 . 0 0 "[ . 1 . 2]" 1
1015 1 55 GLN HB3 1 56 LYS QG . . 5.270 5.190 3.788 5.707 0.437 15 0 "[ . 1 . 2]" 1
1016 1 55 GLN QG 1 56 LYS QG . . 5.500 4.776 2.762 5.475 . 0 0 "[ . 1 . 2]" 1
1017 1 56 LYS H 1 56 LYS QB . . 3.520 2.665 2.396 3.310 . 0 0 "[ . 1 . 2]" 1
1018 1 56 LYS H 1 56 LYS QG . . 4.700 2.054 1.911 2.462 . 0 0 "[ . 1 . 2]" 1
1019 1 56 LYS HA 1 56 LYS QB . . 2.770 2.210 2.157 2.351 . 0 0 "[ . 1 . 2]" 1
1020 1 56 LYS HA 1 56 LYS QG . . 3.330 3.140 2.389 3.341 0.011 1 0 "[ . 1 . 2]" 1
1021 1 56 LYS QB 1 56 LYS QE . . 4.380 2.781 2.145 3.557 . 0 0 "[ . 1 . 2]" 1
1022 1 56 LYS QB 1 57 GLU H . . 4.010 3.292 1.836 4.033 0.023 17 0 "[ . 1 . 2]" 1
1023 1 56 LYS QG 1 57 GLU H . . 5.090 2.903 1.873 4.444 . 0 0 "[ . 1 . 2]" 1
1024 1 56 LYS QG 1 57 GLU HG3 . . 5.290 3.726 2.032 5.551 0.261 5 0 "[ . 1 . 2]" 1
1025 1 56 LYS QG 1 58 TYR H . . 5.500 4.345 2.891 5.395 . 0 0 "[ . 1 . 2]" 1
1026 1 57 GLU H 1 57 GLU HB3 . . 4.060 3.796 3.423 4.028 . 0 0 "[ . 1 . 2]" 1
1027 1 57 GLU H 1 57 GLU HB2 . . 3.570 2.927 2.431 3.646 0.076 6 0 "[ . 1 . 2]" 1
1028 1 57 GLU H 1 57 GLU HG3 . . 4.240 3.404 2.080 4.916 0.676 17 1 "[ . 1 . + 2]" 1
1029 1 57 GLU H 1 58 TYR H . . 4.240 2.150 1.700 3.992 . 0 0 "[ . 1 . 2]" 1
1030 1 57 GLU H 1 58 TYR QB . . 5.500 3.747 3.363 4.620 . 0 0 "[ . 1 . 2]" 1
1031 1 57 GLU HA 1 57 GLU HB3 . . 2.970 2.512 2.285 2.847 . 0 0 "[ . 1 . 2]" 1
1032 1 57 GLU HA 1 57 GLU HG2 . . 3.840 2.572 2.105 3.546 . 0 0 "[ . 1 . 2]" 1
1033 1 57 GLU HA 1 57 GLU HG3 . . 3.460 3.195 2.321 3.798 0.338 2 0 "[ . 1 . 2]" 1
1034 1 57 GLU HA 1 58 TYR H . . 3.210 3.089 2.212 3.489 0.279 14 0 "[ . 1 . 2]" 1
1035 1 57 GLU HA 1 58 TYR QD . . 5.500 4.611 3.521 5.812 0.312 18 0 "[ . 1 . 2]" 1
1036 1 57 GLU HB3 1 58 TYR H . . 4.450 4.248 3.374 4.522 0.072 6 0 "[ . 1 . 2]" 1
1037 1 57 GLU HB3 1 58 TYR QD . . 5.500 5.186 3.764 5.692 0.192 3 0 "[ . 1 . 2]" 1
1038 1 57 GLU HB2 1 58 TYR H . . 3.910 3.833 2.872 4.552 0.642 4 1 "[ +. 1 . 2]" 1
1039 1 57 GLU HB2 1 58 TYR HA . . 5.310 4.829 4.260 5.606 0.296 11 0 "[ . 1 . 2]" 1
1040 1 57 GLU HB2 1 58 TYR QD . . 5.500 4.877 3.477 5.749 0.249 6 0 "[ . 1 . 2]" 1
1041 1 57 GLU HG2 1 58 TYR H . . 5.340 4.981 3.771 5.343 0.003 3 0 "[ . 1 . 2]" 1
1042 1 57 GLU HG3 1 58 TYR H . . 5.250 4.831 3.147 5.361 0.111 5 0 "[ . 1 . 2]" 1
1043 1 58 TYR H 1 58 TYR QB . . 3.230 2.439 2.055 2.937 . 0 0 "[ . 1 . 2]" 1
1044 1 58 TYR H 1 58 TYR QD . . 4.590 3.101 1.836 4.467 . 0 0 "[ . 1 . 2]" 1
1045 1 58 TYR H 1 62 LEU QD . . 5.500 4.919 3.935 5.297 . 0 0 "[ . 1 . 2]" 1
1046 1 58 TYR HA 1 58 TYR QD . . 3.520 3.081 2.045 3.668 0.148 6 0 "[ . 1 . 2]" 1
1047 1 58 TYR HA 1 58 TYR QE . . 5.500 4.986 4.096 5.607 0.107 10 0 "[ . 1 . 2]" 1
1048 1 58 TYR HA 1 59 ASP H . . 3.360 2.413 2.142 2.693 . 0 0 "[ . 1 . 2]" 1
1049 1 58 TYR HA 1 62 LEU QD . . 4.180 3.118 1.869 4.136 . 0 0 "[ . 1 . 2]" 1
1050 1 58 TYR QB 1 62 LEU QD . . 4.840 2.730 1.923 3.598 . 0 0 "[ . 1 . 2]" 1
1051 1 58 TYR QB 1 59 ASP H . . 4.460 2.708 2.128 3.979 . 0 0 "[ . 1 . 2]" 1
1052 1 58 TYR QD 1 59 ASP H . . 4.730 3.211 1.927 4.485 . 0 0 "[ . 1 . 2]" 1
1053 1 58 TYR QD 1 62 LEU HB3 . . 5.500 5.404 4.657 5.678 0.178 6 0 "[ . 1 . 2]" 1
1054 1 58 TYR QD 1 62 LEU QD . . 5.500 2.215 1.826 3.064 . 0 0 "[ . 1 . 2]" 1
1055 1 58 TYR QE 1 62 LEU QD . . 5.280 2.967 1.959 4.488 . 0 0 "[ . 1 . 2]" 1
1056 1 59 ASP H 1 59 ASP QB . . 3.770 2.540 2.101 2.985 . 0 0 "[ . 1 . 2]" 1
1057 1 59 ASP H 1 62 LEU HG . . 4.600 3.950 3.144 4.620 0.020 1 0 "[ . 1 . 2]" 1
1058 1 59 ASP HA 1 61 SER H . . 5.500 4.179 3.610 4.416 . 0 0 "[ . 1 . 2]" 1
1059 1 59 ASP HA 1 62 LEU H . . 5.400 5.186 4.531 5.608 0.208 18 0 "[ . 1 . 2]" 1
1060 1 59 ASP HA 1 62 LEU QD . . 4.530 3.822 3.503 4.194 . 0 0 "[ . 1 . 2]" 1
1061 1 59 ASP QB 1 61 SER QB . . 4.440 3.224 2.355 3.919 . 0 0 "[ . 1 . 2]" 1
1062 1 59 ASP QB 1 62 LEU HG . . 4.880 4.253 3.692 4.743 . 0 0 "[ . 1 . 2]" 1
1063 1 59 ASP QB 1 62 LEU QD . . 4.250 2.587 1.828 3.563 . 0 0 "[ . 1 . 2]" 1
1064 1 59 ASP QB 1 60 SER H . . 5.500 2.578 1.948 3.555 . 0 0 "[ . 1 . 2]" 1
1065 1 60 SER HA 1 60 SER HB2 . . 2.860 2.831 2.513 2.867 0.007 9 0 "[ . 1 . 2]" 1
1066 1 60 SER HA 1 62 LEU H . . 5.120 3.718 3.520 3.942 . 0 0 "[ . 1 . 2]" 1
1067 1 60 SER HA 1 63 ALA MB . . 4.230 2.647 2.167 4.075 . 0 0 "[ . 1 . 2]" 1
1068 1 60 SER HB2 1 62 LEU H . . 5.090 5.274 4.937 5.572 0.482 10 0 "[ . 1 . 2]" 1
1069 1 61 SER H 1 62 LEU H . . 5.140 2.709 2.571 2.826 . 0 0 "[ . 1 . 2]" 1
1070 1 61 SER H 1 62 LEU HG . . 5.500 4.680 4.113 5.027 . 0 0 "[ . 1 . 2]" 1
1071 1 61 SER HA 1 61 SER QB . . 2.690 2.323 2.159 2.540 . 0 0 "[ . 1 . 2]" 1
1072 1 61 SER QB 1 62 LEU H . . 4.180 3.150 2.799 3.504 . 0 0 "[ . 1 . 2]" 1
1073 1 61 SER QB 1 62 LEU HA . . 5.470 4.125 3.792 4.766 . 0 0 "[ . 1 . 2]" 1
1074 1 61 SER QB 1 62 LEU HB3 . . 5.500 4.305 3.816 4.886 . 0 0 "[ . 1 . 2]" 1
1075 1 61 SER QB 1 62 LEU QD . . 4.870 4.225 3.627 4.541 . 0 0 "[ . 1 . 2]" 1
1076 1 61 SER QB 1 63 ALA H . . 5.500 4.791 4.429 5.306 . 0 0 "[ . 1 . 2]" 1
1077 1 62 LEU H 1 62 LEU HB3 . . 3.840 2.627 2.533 2.868 . 0 0 "[ . 1 . 2]" 1
1078 1 62 LEU H 1 62 LEU HB2 . . 3.790 3.639 3.532 3.708 . 0 0 "[ . 1 . 2]" 1
1079 1 62 LEU H 1 62 LEU HG . . 3.230 2.459 2.082 2.790 . 0 0 "[ . 1 . 2]" 1
1080 1 62 LEU H 1 62 LEU QD . . 4.650 2.594 1.893 3.020 . 0 0 "[ . 1 . 2]" 1
1081 1 62 LEU H 1 63 ALA H . . 4.000 2.364 2.054 2.880 . 0 0 "[ . 1 . 2]" 1
1082 1 62 LEU H 1 63 ALA MB . . 5.500 3.979 3.729 4.274 . 0 0 "[ . 1 . 2]" 1
1083 1 62 LEU HA 1 62 LEU HB2 . . 2.760 2.380 2.274 2.601 . 0 0 "[ . 1 . 2]" 1
1084 1 62 LEU HA 1 62 LEU HG . . 3.630 3.629 3.609 3.651 0.021 10 0 "[ . 1 . 2]" 1
1085 1 62 LEU HB2 1 62 LEU QD . . 3.200 1.977 1.915 2.067 . 0 0 "[ . 1 . 2]" 1
1086 1 62 LEU HG 1 63 ALA H . . 3.940 2.449 1.739 3.206 . 0 0 "[ . 1 . 2]" 1
1087 1 62 LEU HG 1 63 ALA HA . . 4.260 3.907 3.380 4.308 0.048 11 0 "[ . 1 . 2]" 1
1088 1 62 LEU HG 1 63 ALA MB . . 2.950 3.017 2.743 4.127 1.177 18 1 "[ . 1 . + 2]" 1
1089 1 62 LEU QD 1 63 ALA H . . 5.090 3.270 2.571 3.850 . 0 0 "[ . 1 . 2]" 1
1090 1 63 ALA H 1 63 ALA MB . . 3.240 2.342 2.099 2.760 . 0 0 "[ . 1 . 2]" 1
1091 1 63 ALA HA 1 64 THR H . . 2.920 2.330 2.142 2.993 0.073 20 0 "[ . 1 . 2]" 1
1092 1 63 ALA HA 1 64 THR MG . . 5.200 4.497 3.130 5.383 0.183 17 0 "[ . 1 . 2]" 1
1093 1 63 ALA MB 1 64 THR H . . 4.120 3.116 2.071 3.718 . 0 0 "[ . 1 . 2]" 1
1094 1 64 THR H 1 64 THR HB . . 4.030 3.608 3.018 3.954 . 0 0 "[ . 1 . 2]" 1
1095 1 64 THR H 1 64 THR MG . . 4.060 3.336 2.102 4.039 . 0 0 "[ . 1 . 2]" 1
1096 1 64 THR H 1 65 LEU QD . . 5.500 4.295 2.416 5.401 . 0 0 "[ . 1 . 2]" 1
1097 1 64 THR HA 1 64 THR MG . . 3.400 2.218 1.927 2.544 . 0 0 "[ . 1 . 2]" 1
1098 1 64 THR HA 1 65 LEU H . . 3.110 2.636 2.185 3.219 0.109 17 0 "[ . 1 . 2]" 1
1099 1 64 THR HA 1 65 LEU QD . . 5.110 3.757 2.750 4.841 . 0 0 "[ . 1 . 2]" 1
1100 1 64 THR HA 1 66 ASP H . . 5.420 4.693 3.235 5.530 0.110 2 0 "[ . 1 . 2]" 1
1101 1 64 THR HB 1 65 LEU H . . 4.280 3.003 1.935 4.403 0.123 9 0 "[ . 1 . 2]" 1
1102 1 64 THR HB 1 65 LEU HG . . 4.440 4.126 2.237 4.801 0.361 11 0 "[ . 1 . 2]" 1
1103 1 64 THR HB 1 65 LEU QD . . 5.370 3.603 1.917 4.797 . 0 0 "[ . 1 . 2]" 1
1104 1 64 THR MG 1 65 LEU H . . 4.160 3.493 2.003 4.354 0.194 17 0 "[ . 1 . 2]" 1
1105 1 65 LEU H 1 65 LEU QB . . 3.800 3.037 2.464 3.437 . 0 0 "[ . 1 . 2]" 1
1106 1 65 LEU H 1 65 LEU HG . . 3.870 2.955 1.979 4.009 0.139 6 0 "[ . 1 . 2]" 1
1107 1 65 LEU H 1 65 LEU QD . . 4.320 2.668 1.869 3.897 . 0 0 "[ . 1 . 2]" 1
1108 1 65 LEU H 1 66 ASP H . . 3.890 3.100 1.890 3.929 0.039 19 0 "[ . 1 . 2]" 1
1109 1 65 LEU HA 1 65 LEU HG . . 3.260 3.167 2.633 3.631 0.371 7 0 "[ . 1 . 2]" 1
1110 1 65 LEU HA 1 65 LEU QD . . 4.000 2.868 1.934 3.406 . 0 0 "[ . 1 . 2]" 1
1111 1 65 LEU HA 1 66 ASP H . . 3.120 2.603 2.141 3.372 0.252 18 0 "[ . 1 . 2]" 1
1112 1 65 LEU HA 1 66 ASP HB2 . . 4.890 4.424 3.956 5.046 0.156 4 0 "[ . 1 . 2]" 1
1113 1 65 LEU HA 1 67 HIS HD2 . . 5.500 4.938 4.333 5.566 0.066 9 0 "[ . 1 . 2]" 1
1114 1 65 LEU QB 1 66 ASP H . . 4.330 3.722 3.303 3.992 . 0 0 "[ . 1 . 2]" 1
1115 1 65 LEU QB 1 67 HIS HD2 . . 5.500 3.514 2.539 4.198 . 0 0 "[ . 1 . 2]" 1
1116 1 65 LEU HG 1 66 ASP H . . 5.500 4.885 3.863 5.316 . 0 0 "[ . 1 . 2]" 1
1117 1 65 LEU QD 1 66 ASP H . . 4.550 3.791 3.131 4.209 . 0 0 "[ . 1 . 2]" 1
1118 1 65 LEU QD 1 66 ASP HB2 . . 5.500 5.323 4.861 5.673 0.173 6 0 "[ . 1 . 2]" 1
1119 1 66 ASP H 1 66 ASP HB3 . . 3.830 3.577 3.159 4.097 0.267 14 0 "[ . 1 . 2]" 1
1120 1 66 ASP H 1 66 ASP HB2 . . 3.460 2.481 2.066 3.496 0.036 3 0 "[ . 1 . 2]" 1
1121 1 66 ASP H 1 67 HIS HD2 . . 5.420 4.739 3.934 5.430 0.010 5 0 "[ . 1 . 2]" 1
1122 1 66 ASP HA 1 67 HIS H . . 3.340 2.267 2.138 2.532 . 0 0 "[ . 1 . 2]" 1
1123 1 66 ASP HA 1 67 HIS HA . . 4.640 4.422 4.367 4.505 . 0 0 "[ . 1 . 2]" 1
1124 1 66 ASP HA 1 67 HIS QB . . 4.920 4.486 4.244 4.696 . 0 0 "[ . 1 . 2]" 1
1125 1 66 ASP HB3 1 67 HIS H . . 4.350 3.367 2.538 4.029 . 0 0 "[ . 1 . 2]" 1
1126 1 66 ASP HB2 1 67 HIS HA . . 5.500 5.258 4.781 5.571 0.071 1 0 "[ . 1 . 2]" 1
1127 1 67 HIS H 1 67 HIS HD2 . . 5.100 3.759 3.300 4.373 . 0 0 "[ . 1 . 2]" 1
1128 1 67 HIS H 1 68 THR H . . 4.660 4.470 4.319 4.589 . 0 0 "[ . 1 . 2]" 1
1129 1 67 HIS HA 1 67 HIS HD2 . . 4.160 2.646 2.295 4.137 . 0 0 "[ . 1 . 2]" 1
1130 1 67 HIS HA 1 68 THR H . . 3.220 2.277 2.157 2.576 . 0 0 "[ . 1 . 2]" 1
1131 1 67 HIS HA 1 68 THR HA . . 4.890 4.401 4.359 4.490 . 0 0 "[ . 1 . 2]" 1
1132 1 67 HIS HA 1 68 THR HB . . 4.560 4.527 4.147 4.616 0.056 20 0 "[ . 1 . 2]" 1
1133 1 67 HIS QB 1 68 THR H . . 3.840 2.761 2.118 3.151 . 0 0 "[ . 1 . 2]" 1
1134 1 67 HIS QB 1 68 THR HB . . 5.500 5.038 4.611 5.256 . 0 0 "[ . 1 . 2]" 1
1135 1 67 HIS QB 1 69 GLU H . . 5.120 4.580 4.163 5.050 . 0 0 "[ . 1 . 2]" 1
1136 1 67 HIS HD2 1 68 THR H . . 5.110 4.677 4.287 5.679 0.569 4 1 "[ +. 1 . 2]" 1
1137 1 68 THR H 1 68 THR HB . . 3.750 2.585 2.435 2.785 . 0 0 "[ . 1 . 2]" 1
1138 1 68 THR H 1 68 THR MG . . 4.790 3.752 2.452 3.913 . 0 0 "[ . 1 . 2]" 1
1139 1 68 THR H 1 69 GLU H . . 4.710 4.206 3.975 4.397 . 0 0 "[ . 1 . 2]" 1
1140 1 68 THR HA 1 68 THR MG . . 3.610 2.414 2.273 3.156 . 0 0 "[ . 1 . 2]" 1
1141 1 68 THR HA 1 69 GLU H . . 3.220 2.164 2.143 2.218 . 0 0 "[ . 1 . 2]" 1
1142 1 68 THR HA 1 69 GLU QG . . 5.080 3.699 3.515 3.982 . 0 0 "[ . 1 . 2]" 1
1143 1 68 THR HB 1 69 GLU H . . 4.480 4.384 4.163 4.485 0.005 13 0 "[ . 1 . 2]" 1
1144 1 68 THR MG 1 69 GLU H . . 3.930 2.957 2.311 3.531 . 0 0 "[ . 1 . 2]" 1
1145 1 68 THR MG 1 69 GLU QG . . 4.650 4.171 3.459 4.642 . 0 0 "[ . 1 . 2]" 1
1146 1 69 GLU H 1 69 GLU HB3 . . 3.730 3.294 2.589 3.687 . 0 0 "[ . 1 . 2]" 1
1147 1 69 GLU H 1 69 GLU QG . . 4.160 2.051 1.885 2.564 . 0 0 "[ . 1 . 2]" 1
1148 1 69 GLU H 1 71 LYS QE . . 4.830 4.455 4.182 4.658 . 0 0 "[ . 1 . 2]" 1
1149 1 69 GLU HA 1 70 ILE H . . 2.760 2.173 2.140 2.459 . 0 0 "[ . 1 . 2]" 1
1150 1 69 GLU HA 1 70 ILE HG13 . . 5.400 4.796 4.465 5.116 . 0 0 "[ . 1 . 2]" 1
1151 1 69 GLU HA 1 70 ILE MD . . 4.240 2.980 2.585 3.241 . 0 0 "[ . 1 . 2]" 1
1152 1 69 GLU HB2 1 71 LYS QE . . 5.500 3.413 2.129 4.437 . 0 0 "[ . 1 . 2]" 1
1153 1 70 ILE H 1 70 ILE HB . . 3.670 2.441 2.338 2.599 . 0 0 "[ . 1 . 2]" 1
1154 1 70 ILE H 1 70 ILE HG12 . . 4.550 4.059 3.912 4.533 . 0 0 "[ . 1 . 2]" 1
1155 1 70 ILE H 1 70 ILE HG13 . . 4.650 3.332 3.092 3.851 . 0 0 "[ . 1 . 2]" 1
1156 1 70 ILE H 1 70 ILE MD . . 4.530 1.984 1.868 2.580 . 0 0 "[ . 1 . 2]" 1
1157 1 70 ILE H 1 70 ILE MG . . 4.550 3.754 3.706 3.792 . 0 0 "[ . 1 . 2]" 1
1158 1 70 ILE H 1 71 LYS H . . 4.740 4.280 3.958 4.556 . 0 0 "[ . 1 . 2]" 1
1159 1 70 ILE HA 1 70 ILE MD . . 3.440 3.226 3.143 3.365 . 0 0 "[ . 1 . 2]" 1
1160 1 70 ILE HA 1 70 ILE MG . . 3.690 2.387 2.282 2.471 . 0 0 "[ . 1 . 2]" 1
1161 1 70 ILE HA 1 71 LYS H . . 3.200 2.185 2.139 2.249 . 0 0 "[ . 1 . 2]" 1
1162 1 70 ILE HB 1 71 LYS H . . 5.170 4.408 4.084 4.513 . 0 0 "[ . 1 . 2]" 1
1163 1 70 ILE HG12 1 71 LYS H . . 5.500 5.406 4.905 5.599 0.099 8 0 "[ . 1 . 2]" 1
1164 1 70 ILE HG12 1 96 LEU QD . . 4.840 3.740 3.133 4.384 . 0 0 "[ . 1 . 2]" 1
1165 1 70 ILE HG13 1 71 LYS H . . 5.500 4.392 4.197 4.521 . 0 0 "[ . 1 . 2]" 1
1166 1 70 ILE MD 1 71 LYS H . . 4.850 4.935 4.882 5.002 0.152 15 0 "[ . 1 . 2]" 1
1167 1 70 ILE HG12 1 70 ILE MG . . 3.710 2.046 1.991 2.162 . 0 0 "[ . 1 . 2]" 1
1168 1 70 ILE MD 1 70 ILE MG . . 3.290 3.151 3.089 3.176 . 0 0 "[ . 1 . 2]" 1
1169 1 70 ILE MG 1 71 LYS H . . 4.160 2.993 2.235 3.387 . 0 0 "[ . 1 . 2]" 1
1170 1 71 LYS H 1 71 LYS QB . . 3.730 2.704 2.214 3.051 . 0 0 "[ . 1 . 2]" 1
1171 1 71 LYS H 1 71 LYS QE . . 5.500 2.672 1.908 4.256 . 0 0 "[ . 1 . 2]" 1
1172 1 71 LYS H 1 71 LYS HG2 . . 3.890 2.615 1.897 4.547 0.657 2 2 "[ + . 1 - . 2]" 1
1173 1 71 LYS HA 1 71 LYS HG2 . . 3.800 3.381 2.639 3.638 . 0 0 "[ . 1 . 2]" 1
1174 1 71 LYS HA 1 72 ALA H . . 3.500 2.321 2.179 2.523 . 0 0 "[ . 1 . 2]" 1
1175 1 71 LYS HA 1 72 ALA HA . . 5.370 4.322 4.303 4.346 . 0 0 "[ . 1 . 2]" 1
1176 1 71 LYS HA 1 72 ALA MB . . 4.810 4.010 3.963 4.132 . 0 0 "[ . 1 . 2]" 1
1177 1 71 LYS QB 1 71 LYS QE . . 3.270 2.593 1.840 3.214 . 0 0 "[ . 1 . 2]" 1
1178 1 71 LYS QB 1 72 ALA H . . 4.020 2.640 2.147 3.077 . 0 0 "[ . 1 . 2]" 1
1179 1 71 LYS QE 1 71 LYS HG2 . . 3.520 2.535 1.930 3.469 . 0 0 "[ . 1 . 2]" 1
1180 1 71 LYS HG2 1 72 ALA H . . 4.960 4.272 3.359 5.018 0.058 18 0 "[ . 1 . 2]" 1
1181 1 72 ALA H 1 72 ALA MB . . 3.600 2.075 2.027 2.155 . 0 0 "[ . 1 . 2]" 1
1182 1 72 ALA H 1 73 PRO HD3 . . 5.500 4.962 4.875 5.004 . 0 0 "[ . 1 . 2]" 1
1183 1 72 ALA HA 1 73 PRO HB3 . . 5.500 4.832 4.830 4.837 . 0 0 "[ . 1 . 2]" 1
1184 1 72 ALA HA 1 73 PRO HD2 . . 3.820 2.261 2.142 2.336 . 0 0 "[ . 1 . 2]" 1
1185 1 72 ALA HA 1 73 PRO HD3 . . 3.840 2.262 2.253 2.278 . 0 0 "[ . 1 . 2]" 1
1186 1 72 ALA HA 1 73 PRO HG2 . . 5.500 4.401 4.306 4.461 . 0 0 "[ . 1 . 2]" 1
1187 1 72 ALA HA 1 73 PRO HG3 . . 5.010 4.397 4.346 4.435 . 0 0 "[ . 1 . 2]" 1
1188 1 72 ALA HA 1 74 PHE H . . 4.770 4.164 3.947 4.436 . 0 0 "[ . 1 . 2]" 1
1189 1 72 ALA MB 1 73 PRO HD2 . . 4.860 2.436 2.298 2.668 . 0 0 "[ . 1 . 2]" 1
1190 1 72 ALA MB 1 73 PRO HD3 . . 4.390 3.474 3.383 3.640 . 0 0 "[ . 1 . 2]" 1
1191 1 72 ALA MB 1 74 PHE H . . 4.140 2.822 2.440 3.279 . 0 0 "[ . 1 . 2]" 1
1192 1 73 PRO HA 1 74 PHE QD . . 4.680 4.442 4.028 4.762 0.082 2 0 "[ . 1 . 2]" 1
1193 1 73 PRO HB3 1 74 PHE QD . . 4.620 4.196 3.669 4.662 0.042 3 0 "[ . 1 . 2]" 1
1194 1 73 PRO HB2 1 74 PHE H . . 3.880 3.209 2.905 3.495 . 0 0 "[ . 1 . 2]" 1
1195 1 73 PRO HB2 1 74 PHE HB3 . . 4.750 4.061 3.439 4.328 . 0 0 "[ . 1 . 2]" 1
1196 1 73 PRO HB2 1 74 PHE HB2 . . 5.380 5.131 4.982 5.239 . 0 0 "[ . 1 . 2]" 1
1197 1 73 PRO HD2 1 74 PHE H . . 4.720 2.674 2.647 2.752 . 0 0 "[ . 1 . 2]" 1
1198 1 73 PRO HD2 1 74 PHE QD . . 5.500 4.610 3.607 5.030 . 0 0 "[ . 1 . 2]" 1
1199 1 73 PRO HD3 1 74 PHE H . . 5.320 3.846 3.834 3.873 . 0 0 "[ . 1 . 2]" 1
1200 1 73 PRO HD3 1 74 PHE QD . . 5.500 5.455 4.732 5.598 0.098 2 0 "[ . 1 . 2]" 1
1201 1 73 PRO HG2 1 74 PHE H . . 5.010 2.235 1.925 2.581 . 0 0 "[ . 1 . 2]" 1
1202 1 73 PRO HG2 1 74 PHE QD . . 4.660 3.010 1.946 3.310 . 0 0 "[ . 1 . 2]" 1
1203 1 73 PRO HG2 1 99 VAL QG . . 4.810 3.324 2.581 4.109 . 0 0 "[ . 1 . 2]" 1
1204 1 73 PRO HG3 1 74 PHE H . . 4.460 3.781 3.548 4.039 . 0 0 "[ . 1 . 2]" 1
1205 1 73 PRO HG3 1 74 PHE QD . . 4.920 4.264 3.598 4.541 . 0 0 "[ . 1 . 2]" 1
1206 1 74 PHE H 1 74 PHE HB2 . . 4.080 3.865 3.689 4.091 0.011 19 0 "[ . 1 . 2]" 1
1207 1 74 PHE H 1 74 PHE QD . . 4.500 3.018 2.312 3.529 . 0 0 "[ . 1 . 2]" 1
1208 1 74 PHE H 1 75 ASP H . . 4.880 3.922 1.651 4.405 . 0 0 "[ . 1 . 2]" 1
1209 1 74 PHE HA 1 74 PHE QD . . 4.060 3.681 3.643 3.720 . 0 0 "[ . 1 . 2]" 1
1210 1 74 PHE HA 1 75 ASP H . . 3.560 2.450 2.242 3.171 . 0 0 "[ . 1 . 2]" 1
1211 1 74 PHE HB3 1 75 ASP H . . 3.860 3.810 3.388 4.614 0.754 2 3 "[ + . * - . 2]" 1
1212 1 74 PHE HB2 1 75 ASP H . . 3.750 2.899 2.154 4.125 0.375 2 0 "[ . 1 . 2]" 1
1213 1 74 PHE QD 1 102 LEU HA . . 5.500 5.132 3.950 5.552 0.052 6 0 "[ . 1 . 2]" 1
1214 1 74 PHE QD 1 102 LEU QB . . 5.500 3.481 2.496 5.221 . 0 0 "[ . 1 . 2]" 1
1215 1 74 PHE QD 1 102 LEU QD . . 5.390 2.581 1.906 3.962 . 0 0 "[ . 1 . 2]" 1
1216 1 74 PHE QD 1 75 ASP H . . 4.530 3.875 3.172 4.368 . 0 0 "[ . 1 . 2]" 1
1217 1 74 PHE QD 1 76 GLY H . . 5.500 5.273 4.764 5.453 . 0 0 "[ . 1 . 2]" 1
1218 1 74 PHE QD 1 76 GLY QA . . 5.360 3.963 3.477 4.459 . 0 0 "[ . 1 . 2]" 1
1219 1 74 PHE QD 1 99 VAL QG . . 3.700 3.349 2.556 3.744 0.044 9 0 "[ . 1 . 2]" 1
1220 1 75 ASP HA 1 76 GLY H . . 3.350 2.335 2.165 2.648 . 0 0 "[ . 1 . 2]" 1
1221 1 75 ASP HB3 1 76 GLY H . . 3.970 3.925 2.991 4.303 0.333 15 0 "[ . 1 . 2]" 1
1222 1 76 GLY H 1 102 LEU QD . . 5.500 4.286 3.292 5.397 . 0 0 "[ . 1 . 2]" 1
1223 1 76 GLY H 1 77 THR H . . 5.130 4.311 4.101 4.509 . 0 0 "[ . 1 . 2]" 1
1224 1 76 GLY H 1 77 THR HA . . 5.500 4.733 4.572 5.036 . 0 0 "[ . 1 . 2]" 1
1225 1 76 GLY QA 1 101 ASN HA . . 5.380 5.346 4.153 5.618 0.238 10 0 "[ . 1 . 2]" 1
1226 1 76 GLY QA 1 101 ASN HB3 . . 5.270 3.522 1.815 4.704 . 0 0 "[ . 1 . 2]" 1
1227 1 76 GLY QA 1 101 ASN HD21 . . 5.500 4.534 3.324 5.393 . 0 0 "[ . 1 . 2]" 1
1228 1 76 GLY QA 1 102 LEU QB . . 5.190 3.458 2.203 4.542 . 0 0 "[ . 1 . 2]" 1
1229 1 76 GLY QA 1 102 LEU QD . . 5.500 2.474 1.828 3.091 . 0 0 "[ . 1 . 2]" 1
1230 1 76 GLY QA 1 99 VAL QG . . 4.700 2.822 1.959 3.728 . 0 0 "[ . 1 . 2]" 1
1231 1 77 THR H 1 100 THR H . . 3.990 3.337 2.791 4.025 0.035 5 0 "[ . 1 . 2]" 1
1232 1 77 THR H 1 100 THR MG . . 5.110 4.490 3.081 5.263 0.153 20 0 "[ . 1 . 2]" 1
1233 1 77 THR H 1 101 ASN HB2 . . 5.500 3.672 1.818 4.577 . 0 0 "[ . 1 . 2]" 1
1234 1 77 THR H 1 101 ASN HB3 . . 5.380 3.279 2.517 4.736 . 0 0 "[ . 1 . 2]" 1
1235 1 77 THR H 1 102 LEU QB . . 5.030 4.738 3.728 5.224 0.194 19 0 "[ . 1 . 2]" 1
1236 1 77 THR H 1 102 LEU QD . . 5.260 3.837 2.943 5.162 . 0 0 "[ . 1 . 2]" 1
1237 1 77 THR H 1 77 THR HB . . 3.760 2.615 2.467 2.830 . 0 0 "[ . 1 . 2]" 1
1238 1 77 THR H 1 77 THR MG . . 4.670 3.699 2.503 3.928 . 0 0 "[ . 1 . 2]" 1
1239 1 77 THR H 1 99 VAL QG . . 4.110 2.742 2.257 3.545 . 0 0 "[ . 1 . 2]" 1
1240 1 77 THR HA 1 77 THR MG . . 3.690 2.420 2.235 3.147 . 0 0 "[ . 1 . 2]" 1
1241 1 77 THR HA 1 78 ILE H . . 3.450 2.212 2.142 2.342 . 0 0 "[ . 1 . 2]" 1
1242 1 77 THR HA 1 99 VAL QG . . 4.780 4.133 3.327 4.684 . 0 0 "[ . 1 . 2]" 1
1243 1 77 THR HB 1 100 THR H . . 3.990 3.294 2.702 4.286 0.296 2 0 "[ . 1 . 2]" 1
1244 1 77 THR HB 1 100 THR MG . . 4.400 3.276 1.877 4.483 0.083 19 0 "[ . 1 . 2]" 1
1245 1 77 THR HB 1 101 ASN HA . . 5.380 5.265 4.308 5.496 0.116 17 0 "[ . 1 . 2]" 1
1246 1 77 THR HB 1 101 ASN HB2 . . 4.960 2.872 1.968 3.644 . 0 0 "[ . 1 . 2]" 1
1247 1 77 THR HB 1 78 ILE H . . 4.690 4.060 3.539 4.469 . 0 0 "[ . 1 . 2]" 1
1248 1 77 THR HB 1 99 VAL QG . . 5.160 4.084 3.701 4.656 . 0 0 "[ . 1 . 2]" 1
1249 1 77 THR MG 1 100 THR H . . 5.500 3.608 1.810 4.026 . 0 0 "[ . 1 . 2]" 1
1250 1 77 THR MG 1 100 THR HB . . 5.320 4.731 3.494 5.330 0.010 17 0 "[ . 1 . 2]" 1
1251 1 77 THR MG 1 100 THR MG . . 4.960 3.151 1.742 4.548 . 0 0 "[ . 1 . 2]" 1
1252 1 77 THR MG 1 99 VAL HA . . 4.970 4.664 3.258 5.009 0.039 15 0 "[ . 1 . 2]" 1
1253 1 78 ILE H 1 78 ILE HB . . 3.950 2.904 2.477 3.211 . 0 0 "[ . 1 . 2]" 1
1254 1 78 ILE H 1 78 ILE HG12 . . 5.160 4.598 4.445 4.855 . 0 0 "[ . 1 . 2]" 1
1255 1 78 ILE H 1 78 ILE HG13 . . 5.200 4.485 4.362 4.600 . 0 0 "[ . 1 . 2]" 1
1256 1 78 ILE H 1 78 ILE MG . . 3.500 2.126 1.966 2.304 . 0 0 "[ . 1 . 2]" 1
1257 1 78 ILE H 1 79 GLY H . . 4.800 4.501 4.414 4.600 . 0 0 "[ . 1 . 2]" 1
1258 1 78 ILE H 1 99 VAL QG . . 4.760 4.145 3.027 4.713 . 0 0 "[ . 1 . 2]" 1
1259 1 78 ILE HA 1 100 THR H . . 3.850 3.561 3.134 4.092 0.242 19 0 "[ . 1 . 2]" 1
1260 1 78 ILE HA 1 79 GLY H . . 3.500 2.224 2.178 2.260 . 0 0 "[ . 1 . 2]" 1
1261 1 78 ILE HA 1 99 VAL HA . . 3.090 2.534 2.165 2.790 . 0 0 "[ . 1 . 2]" 1
1262 1 78 ILE HA 1 99 VAL HB . . 5.500 4.703 2.517 5.450 . 0 0 "[ . 1 . 2]" 1
1263 1 78 ILE HA 1 99 VAL QG . . 3.810 2.848 1.995 3.606 . 0 0 "[ . 1 . 2]" 1
1264 1 78 ILE HB 1 79 GLY H . . 5.020 4.072 3.962 4.195 . 0 0 "[ . 1 . 2]" 1
1265 1 78 ILE HG12 1 79 GLY H . . 3.860 3.158 2.631 3.957 0.097 16 0 "[ . 1 . 2]" 1
1266 1 78 ILE HG12 1 97 VAL HB . . 5.500 4.682 3.829 5.771 0.271 16 0 "[ . 1 . 2]" 1
1267 1 78 ILE HG12 1 97 VAL QG . . 4.560 2.441 1.947 3.356 . 0 0 "[ . 1 . 2]" 1
1268 1 78 ILE HG13 1 79 GLY H . . 4.700 2.206 1.897 2.530 . 0 0 "[ . 1 . 2]" 1
1269 1 78 ILE HG13 1 97 VAL QG . . 4.680 2.103 1.847 3.026 . 0 0 "[ . 1 . 2]" 1
1270 1 78 ILE MD 1 97 VAL QG . . 4.220 1.926 1.686 2.443 . 0 0 "[ . 1 . 2]" 1
1271 1 78 ILE MD 1 99 VAL QG . . 4.800 3.107 1.746 4.643 . 0 0 "[ . 1 . 2]" 1
1272 1 79 GLY H 1 100 THR H . . 5.250 4.695 4.107 5.209 . 0 0 "[ . 1 . 2]" 1
1273 1 79 GLY H 1 80 ASP H . . 4.300 4.120 3.000 4.382 0.082 8 0 "[ . 1 . 2]" 1
1274 1 79 GLY H 1 97 VAL HA . . 5.500 5.192 4.694 5.580 0.080 17 0 "[ . 1 . 2]" 1
1275 1 79 GLY H 1 97 VAL QG . . 4.580 2.586 1.932 4.125 . 0 0 "[ . 1 . 2]" 1
1276 1 79 GLY H 1 98 ARG H . . 5.500 3.622 3.329 4.175 . 0 0 "[ . 1 . 2]" 1
1277 1 79 GLY QA 1 80 ASP H . . 3.160 2.240 2.140 2.779 . 0 0 "[ . 1 . 2]" 1
1278 1 79 GLY QA 1 80 ASP HB2 . . 5.500 4.610 3.983 5.266 . 0 0 "[ . 1 . 2]" 1
1279 1 79 GLY QA 1 80 ASP HB3 . . 4.550 4.436 4.001 5.170 0.620 13 1 "[ . 1 + . 2]" 1
1280 1 80 ASP H 1 80 ASP HB2 . . 3.550 3.097 2.170 3.604 0.054 7 0 "[ . 1 . 2]" 1
1281 1 80 ASP H 1 80 ASP HB3 . . 3.300 2.929 2.390 3.642 0.342 11 0 "[ . 1 . 2]" 1
1282 1 80 ASP H 1 81 ALA H . . 4.960 4.520 4.394 4.621 . 0 0 "[ . 1 . 2]" 1
1283 1 80 ASP HA 1 81 ALA H . . 2.800 2.392 2.167 2.723 . 0 0 "[ . 1 . 2]" 1
1284 1 80 ASP HB2 1 81 ALA H . . 4.000 3.292 1.945 4.067 0.067 19 0 "[ . 1 . 2]" 1
1285 1 80 ASP HB3 1 81 ALA H . . 4.140 3.551 2.405 4.242 0.102 19 0 "[ . 1 . 2]" 1
1286 1 80 ASP HB3 1 81 ALA MB . . 5.500 5.040 4.204 5.366 . 0 0 "[ . 1 . 2]" 1
1287 1 81 ALA H 1 81 ALA MB . . 3.620 2.137 2.053 2.232 . 0 0 "[ . 1 . 2]" 1
1288 1 81 ALA H 1 97 VAL QG . . 5.500 3.903 3.184 4.801 . 0 0 "[ . 1 . 2]" 1
1289 1 81 ALA HA 1 82 LEU H . . 3.480 2.323 2.143 2.774 . 0 0 "[ . 1 . 2]" 1
1290 1 81 ALA HA 1 82 LEU QB . . 5.500 4.151 3.893 4.478 . 0 0 "[ . 1 . 2]" 1
1291 1 81 ALA HA 1 97 VAL HB . . 4.250 3.010 2.077 4.349 0.099 13 0 "[ . 1 . 2]" 1
1292 1 81 ALA MB 1 82 LEU H . . 4.010 2.730 2.055 3.330 . 0 0 "[ . 1 . 2]" 1
1293 1 81 ALA MB 1 83 VAL H . . 3.690 3.337 2.362 3.715 0.025 15 0 "[ . 1 . 2]" 1
1294 1 81 ALA MB 1 96 LEU QD . . 5.500 4.497 3.800 5.328 . 0 0 "[ . 1 . 2]" 1
1295 1 81 ALA MB 1 97 VAL HB . . 4.890 3.928 3.010 5.149 0.259 13 0 "[ . 1 . 2]" 1
1296 1 82 LEU H 1 82 LEU QB . . 3.300 2.389 2.114 2.842 . 0 0 "[ . 1 . 2]" 1
1297 1 82 LEU H 1 82 LEU QD . . 3.990 3.099 1.769 3.743 . 0 0 "[ . 1 . 2]" 1
1298 1 82 LEU H 1 83 VAL H . . 3.530 2.133 1.783 2.507 . 0 0 "[ . 1 . 2]" 1
1299 1 82 LEU H 1 83 VAL MG1 . . 4.680 4.090 3.517 4.538 . 0 0 "[ . 1 . 2]" 1
1300 1 82 LEU H 1 96 LEU HB3 . . 4.990 4.243 3.055 5.808 0.818 19 2 "[ . 1 - . +2]" 1
1301 1 82 LEU H 1 97 VAL HA . . 4.420 4.237 3.722 4.515 0.095 7 0 "[ . 1 . 2]" 1
1302 1 82 LEU H 1 97 VAL HB . . 4.640 4.247 3.731 4.809 0.169 15 0 "[ . 1 . 2]" 1
1303 1 82 LEU H 1 97 VAL QG . . 5.440 4.011 2.009 4.763 . 0 0 "[ . 1 . 2]" 1
1304 1 82 LEU HA 1 82 LEU QD . . 3.010 2.314 1.954 3.242 0.232 12 0 "[ . 1 . 2]" 1
1305 1 82 LEU HA 1 83 VAL MG1 . . 5.500 4.547 4.407 4.710 . 0 0 "[ . 1 . 2]" 1
1306 1 82 LEU QB 1 83 VAL H . . 4.890 2.806 2.290 3.805 . 0 0 "[ . 1 . 2]" 1
1307 1 82 LEU QB 1 83 VAL MG1 . . 5.500 3.026 2.638 3.901 . 0 0 "[ . 1 . 2]" 1
1308 1 82 LEU QB 1 97 VAL HB . . 5.500 5.229 4.662 5.522 0.022 8 0 "[ . 1 . 2]" 1
1309 1 82 LEU QD 1 83 VAL MG1 . . 5.350 3.355 1.812 4.095 . 0 0 "[ . 1 . 2]" 1
1310 1 82 LEU QD 1 95 GLU H . . 5.270 4.330 3.061 5.203 . 0 0 "[ . 1 . 2]" 1
1311 1 82 LEU QD 1 95 GLU HA . . 5.060 4.347 3.666 4.682 . 0 0 "[ . 1 . 2]" 1
1312 1 82 LEU QD 1 95 GLU QB . . 3.920 3.051 2.092 3.636 . 0 0 "[ . 1 . 2]" 1
1313 1 82 LEU QD 1 95 GLU QG . . 4.330 3.212 2.519 4.206 . 0 0 "[ . 1 . 2]" 1
1314 1 82 LEU QD 1 96 LEU H . . 4.080 3.956 3.278 4.180 0.100 16 0 "[ . 1 . 2]" 1
1315 1 82 LEU QD 1 96 LEU HA . . 4.660 2.771 1.749 3.274 . 0 0 "[ . 1 . 2]" 1
1316 1 82 LEU QD 1 96 LEU HB2 . . 5.320 4.463 3.619 5.006 . 0 0 "[ . 1 . 2]" 1
1317 1 82 LEU QD 1 96 LEU HB3 . . 5.240 4.533 3.492 4.979 . 0 0 "[ . 1 . 2]" 1
1318 1 82 LEU QD 1 96 LEU QD . . 5.500 3.998 3.353 4.517 . 0 0 "[ . 1 . 2]" 1
1319 1 82 LEU QD 1 97 VAL H . . 4.690 3.857 2.969 4.370 . 0 0 "[ . 1 . 2]" 1
1320 1 82 LEU QD 1 97 VAL HA . . 3.640 3.182 2.437 3.634 . 0 0 "[ . 1 . 2]" 1
1321 1 82 LEU QD 1 97 VAL HB . . 5.500 4.637 3.531 5.497 . 0 0 "[ . 1 . 2]" 1
1322 1 82 LEU QD 1 98 ARG H . . 4.960 4.423 3.338 4.958 . 0 0 "[ . 1 . 2]" 1
1323 1 83 VAL H 1 83 VAL MG2 . . 3.930 2.033 1.907 2.197 . 0 0 "[ . 1 . 2]" 1
1324 1 83 VAL H 1 83 VAL MG1 . . 3.470 2.647 2.287 3.166 . 0 0 "[ . 1 . 2]" 1
1325 1 83 VAL H 1 84 ASN H . . 4.810 4.460 4.413 4.553 . 0 0 "[ . 1 . 2]" 1
1326 1 83 VAL H 1 96 LEU HB3 . . 5.500 3.611 3.100 5.053 . 0 0 "[ . 1 . 2]" 1
1327 1 83 VAL H 1 96 LEU QD . . 5.180 4.272 2.942 5.390 0.210 12 0 "[ . 1 . 2]" 1
1328 1 83 VAL HA 1 83 VAL MG2 . . 3.610 3.192 3.179 3.203 . 0 0 "[ . 1 . 2]" 1
1329 1 83 VAL HA 1 84 ASN H . . 3.120 2.584 2.323 2.644 . 0 0 "[ . 1 . 2]" 1
1330 1 83 VAL HA 1 84 ASN HA . . 5.460 4.441 4.388 4.478 . 0 0 "[ . 1 . 2]" 1
1331 1 83 VAL HA 1 84 ASN HD21 . . 5.500 3.475 2.754 4.235 . 0 0 "[ . 1 . 2]" 1
1332 1 83 VAL HA 1 84 ASN HD22 . . 5.500 4.085 3.599 4.612 . 0 0 "[ . 1 . 2]" 1
1333 1 83 VAL HB 1 84 ASN H . . 3.400 2.076 1.929 2.610 . 0 0 "[ . 1 . 2]" 1
1334 1 83 VAL HB 1 84 ASN HD21 . . 4.900 4.491 3.775 4.811 . 0 0 "[ . 1 . 2]" 1
1335 1 83 VAL HB 1 87 ASP HB2 . . 4.400 3.853 3.153 4.452 0.052 11 0 "[ . 1 . 2]" 1
1336 1 83 VAL HB 1 87 ASP HB3 . . 4.210 3.583 3.151 4.210 . 0 0 "[ . 1 . 2]" 1
1337 1 83 VAL MG2 1 84 ASN H . . 3.840 2.951 2.597 3.377 . 0 0 "[ . 1 . 2]" 1
1338 1 83 VAL MG2 1 84 ASN HA . . 4.290 3.735 3.471 4.085 . 0 0 "[ . 1 . 2]" 1
1339 1 83 VAL MG2 1 87 ASP HB2 . . 4.470 4.247 3.205 4.607 0.137 12 0 "[ . 1 . 2]" 1
1340 1 83 VAL MG2 1 87 ASP HB3 . . 4.790 4.127 3.201 4.596 . 0 0 "[ . 1 . 2]" 1
1341 1 83 VAL MG2 1 96 LEU HA . . 4.210 2.955 1.924 3.615 . 0 0 "[ . 1 . 2]" 1
1342 1 83 VAL MG2 1 96 LEU HB3 . . 3.110 2.114 1.873 2.915 . 0 0 "[ . 1 . 2]" 1
1343 1 83 VAL MG2 1 96 LEU QD . . 3.700 2.737 1.804 3.312 . 0 0 "[ . 1 . 2]" 1
1344 1 83 VAL MG1 1 84 ASN H . . 4.300 3.617 3.419 3.859 . 0 0 "[ . 1 . 2]" 1
1345 1 83 VAL MG1 1 84 ASN HA . . 5.500 5.470 5.408 5.537 0.037 14 0 "[ . 1 . 2]" 1
1346 1 83 VAL MG1 1 87 ASP HB3 . . 5.170 4.247 3.629 4.962 . 0 0 "[ . 1 . 2]" 1
1347 1 83 VAL MG1 1 96 LEU H . . 5.290 4.531 3.986 5.277 . 0 0 "[ . 1 . 2]" 1
1348 1 83 VAL MG1 1 96 LEU HA . . 4.200 2.654 1.912 3.304 . 0 0 "[ . 1 . 2]" 1
1349 1 83 VAL MG1 1 96 LEU HB2 . . 4.810 4.181 3.315 4.847 0.037 4 0 "[ . 1 . 2]" 1
1350 1 83 VAL MG1 1 96 LEU HB3 . . 4.690 3.169 2.338 3.940 . 0 0 "[ . 1 . 2]" 1
1351 1 84 ASN H 1 84 ASN HB3 . . 3.750 3.723 3.499 3.797 0.047 12 0 "[ . 1 . 2]" 1
1352 1 84 ASN H 1 84 ASN HB2 . . 3.540 2.712 2.460 3.452 . 0 0 "[ . 1 . 2]" 1
1353 1 84 ASN H 1 84 ASN HD21 . . 4.480 2.828 2.271 3.244 . 0 0 "[ . 1 . 2]" 1
1354 1 84 ASN H 1 84 ASN HD22 . . 5.250 4.033 3.188 4.692 . 0 0 "[ . 1 . 2]" 1
1355 1 84 ASN H 1 85 ILE H . . 4.980 4.424 4.344 4.498 . 0 0 "[ . 1 . 2]" 1
1356 1 84 ASN H 1 87 ASP HB2 . . 3.980 3.282 2.943 3.694 . 0 0 "[ . 1 . 2]" 1
1357 1 84 ASN HA 1 84 ASN HD22 . . 5.380 4.361 3.918 4.693 . 0 0 "[ . 1 . 2]" 1
1358 1 84 ASN HA 1 85 ILE H . . 3.170 2.587 2.419 2.732 . 0 0 "[ . 1 . 2]" 1
1359 1 84 ASN HA 1 85 ILE HA . . 5.210 4.331 4.309 4.358 . 0 0 "[ . 1 . 2]" 1
1360 1 84 ASN HB3 1 85 ILE H . . 3.540 2.218 1.910 3.064 . 0 0 "[ . 1 . 2]" 1
1361 1 84 ASN HB3 1 85 ILE HA . . 5.500 4.737 4.515 5.564 0.064 17 0 "[ . 1 . 2]" 1
1362 1 84 ASN HB3 1 85 ILE HB . . 4.760 4.419 4.181 5.354 0.594 6 2 "[ .+ 1 . - 2]" 1
1363 1 84 ASN HB2 1 84 ASN HD22 . . 3.970 3.550 3.436 4.072 0.102 6 0 "[ . 1 . 2]" 1
1364 1 84 ASN HB2 1 85 ILE H . . 3.780 3.164 2.158 3.794 0.014 19 0 "[ . 1 . 2]" 1
1365 1 84 ASN HB2 1 85 ILE HA . . 5.500 4.973 4.356 5.425 . 0 0 "[ . 1 . 2]" 1
1366 1 84 ASN HD21 1 85 ILE H . . 5.500 5.115 4.907 5.426 . 0 0 "[ . 1 . 2]" 1
1367 1 85 ILE H 1 85 ILE HB . . 3.220 2.558 2.325 2.759 . 0 0 "[ . 1 . 2]" 1
1368 1 85 ILE H 1 85 ILE HG12 . . 3.770 2.965 1.935 4.428 0.658 17 1 "[ . 1 . + 2]" 1
1369 1 85 ILE H 1 85 ILE HG13 . . 4.030 2.957 1.951 4.281 0.251 17 0 "[ . 1 . 2]" 1
1370 1 85 ILE H 1 85 ILE MG . . 3.590 3.707 2.548 3.782 0.192 12 0 "[ . 1 . 2]" 1
1371 1 85 ILE H 1 86 GLY H . . 4.620 4.608 4.576 4.630 0.010 1 0 "[ . 1 . 2]" 1
1372 1 85 ILE HA 1 85 ILE HG12 . . 4.220 2.776 2.298 3.401 . 0 0 "[ . 1 . 2]" 1
1373 1 85 ILE HA 1 85 ILE MD . . 3.800 3.163 2.209 3.880 0.080 10 0 "[ . 1 . 2]" 1
1374 1 85 ILE HA 1 85 ILE MG . . 3.310 2.347 2.159 3.148 . 0 0 "[ . 1 . 2]" 1
1375 1 85 ILE HA 1 86 GLY H . . 3.110 2.297 2.244 2.369 . 0 0 "[ . 1 . 2]" 1
1376 1 85 ILE HA 1 87 ASP H . . 3.520 3.210 3.101 3.279 . 0 0 "[ . 1 . 2]" 1
1377 1 85 ILE HA 1 87 ASP HB3 . . 5.500 5.534 5.482 5.605 0.105 12 0 "[ . 1 . 2]" 1
1378 1 85 ILE HB 1 86 GLY H . . 4.540 3.759 3.416 4.053 . 0 0 "[ . 1 . 2]" 1
1379 1 85 ILE HB 1 87 ASP H . . 5.450 5.258 5.027 5.487 0.037 17 0 "[ . 1 . 2]" 1
1380 1 85 ILE HG12 1 86 GLY H . . 5.170 4.361 1.854 5.047 . 0 0 "[ . 1 . 2]" 1
1381 1 85 ILE HG13 1 86 GLY H . . 5.070 4.902 3.501 5.091 0.021 3 0 "[ . 1 . 2]" 1
1382 1 85 ILE MD 1 86 GLY H . . 4.520 4.242 3.230 4.672 0.152 6 0 "[ . 1 . 2]" 1
1383 1 85 ILE MG 1 86 GLY H . . 3.670 2.100 1.854 2.958 . 0 0 "[ . 1 . 2]" 1
1384 1 85 ILE MG 1 87 ASP H . . 4.550 4.071 3.875 4.379 . 0 0 "[ . 1 . 2]" 1
1385 1 86 GLY H 1 87 ASP H . . 3.700 2.525 2.381 2.667 . 0 0 "[ . 1 . 2]" 1
1386 1 86 GLY H 1 87 ASP HB2 . . 5.500 4.598 4.464 4.702 . 0 0 "[ . 1 . 2]" 1
1387 1 87 ASP H 1 87 ASP HB2 . . 3.330 2.349 2.175 2.482 . 0 0 "[ . 1 . 2]" 1
1388 1 87 ASP H 1 87 ASP HB3 . . 3.600 3.233 3.160 3.345 . 0 0 "[ . 1 . 2]" 1
1389 1 87 ASP H 1 88 TYR H . . 4.400 4.444 4.380 4.519 0.119 17 0 "[ . 1 . 2]" 1
1390 1 87 ASP HA 1 88 TYR H . . 2.990 2.169 2.139 2.248 . 0 0 "[ . 1 . 2]" 1
1391 1 87 ASP HB2 1 89 VAL QG . . 4.620 4.430 4.142 4.596 . 0 0 "[ . 1 . 2]" 1
1392 1 87 ASP HB3 1 88 TYR H . . 3.680 3.560 3.194 3.726 0.046 13 0 "[ . 1 . 2]" 1
1393 1 87 ASP HB3 1 89 VAL QG . . 5.070 3.371 3.102 3.775 . 0 0 "[ . 1 . 2]" 1
1394 1 88 TYR H 1 88 TYR QB . . 3.030 2.249 2.231 2.259 . 0 0 "[ . 1 . 2]" 1
1395 1 88 TYR H 1 88 TYR QD . . 4.290 4.186 4.128 4.199 . 0 0 "[ . 1 . 2]" 1
1396 1 88 TYR H 1 89 VAL H . . 5.290 4.560 4.348 4.642 . 0 0 "[ . 1 . 2]" 1
1397 1 88 TYR H 1 89 VAL QG . . 5.190 4.442 4.157 4.783 . 0 0 "[ . 1 . 2]" 1
1398 1 88 TYR HA 1 89 VAL H . . 3.180 2.193 2.137 2.330 . 0 0 "[ . 1 . 2]" 1
1399 1 88 TYR QB 1 89 VAL H . . 4.000 3.667 3.361 3.931 . 0 0 "[ . 1 . 2]" 1
1400 1 88 TYR QB 1 89 VAL QG . . 5.500 4.279 4.072 4.520 . 0 0 "[ . 1 . 2]" 1
1401 1 88 TYR QD 1 89 VAL H . . 4.410 3.394 3.001 3.887 . 0 0 "[ . 1 . 2]" 1
1402 1 88 TYR QE 1 90 SER HB2 . . 5.500 4.512 3.620 5.234 . 0 0 "[ . 1 . 2]" 1
1403 1 88 TYR QE 1 90 SER HB3 . . 5.490 5.287 4.598 5.576 0.086 9 0 "[ . 1 . 2]" 1
1404 1 89 VAL H 1 89 VAL QG . . 3.730 2.059 1.832 2.351 . 0 0 "[ . 1 . 2]" 1
1405 1 89 VAL HA 1 90 SER HB2 . . 5.130 4.221 3.989 5.590 0.460 18 0 "[ . 1 . 2]" 1
1406 1 89 VAL HA 1 94 THR HB . . 4.100 3.672 2.912 4.234 0.134 3 0 "[ . 1 . 2]" 1
1407 1 89 VAL HA 1 94 THR MG . . 5.410 3.570 2.217 4.832 . 0 0 "[ . 1 . 2]" 1
1408 1 89 VAL HB 1 90 SER H . . 4.040 2.632 2.281 2.832 . 0 0 "[ . 1 . 2]" 1
1409 1 89 VAL HB 1 90 SER HB2 . . 5.350 4.894 4.434 5.702 0.352 18 0 "[ . 1 . 2]" 1
1410 1 89 VAL HB 1 90 SER HB3 . . 5.500 5.524 4.658 5.811 0.311 13 0 "[ . 1 . 2]" 1
1411 1 89 VAL HB 1 94 THR H . . 4.960 4.622 4.080 5.005 0.045 3 0 "[ . 1 . 2]" 1
1412 1 89 VAL HB 1 94 THR HB . . 3.920 2.406 2.092 2.705 . 0 0 "[ . 1 . 2]" 1
1413 1 89 VAL HB 1 94 THR MG . . 3.910 2.378 1.890 2.937 . 0 0 "[ . 1 . 2]" 1
1414 1 89 VAL HB 1 96 LEU QD . . 4.460 3.868 3.279 4.465 0.005 7 0 "[ . 1 . 2]" 1
1415 1 89 VAL QG 1 90 SER H . . 4.540 3.245 3.062 3.359 . 0 0 "[ . 1 . 2]" 1
1416 1 89 VAL QG 1 90 SER HB2 . . 5.500 4.850 4.638 5.547 0.047 18 0 "[ . 1 . 2]" 1
1417 1 89 VAL QG 1 94 THR H . . 5.500 4.833 4.453 5.147 . 0 0 "[ . 1 . 2]" 1
1418 1 89 VAL QG 1 94 THR HA . . 5.210 4.378 3.901 4.728 . 0 0 "[ . 1 . 2]" 1
1419 1 89 VAL QG 1 94 THR HB . . 4.400 3.101 2.802 3.426 . 0 0 "[ . 1 . 2]" 1
1420 1 89 VAL QG 1 94 THR MG . . 3.590 2.192 1.710 2.981 . 0 0 "[ . 1 . 2]" 1
1421 1 89 VAL QG 1 96 LEU QD . . 3.630 2.746 2.125 3.311 . 0 0 "[ . 1 . 2]" 1
1422 1 89 VAL QG 1 90 SER HA . . 4.920 4.203 4.000 4.409 . 0 0 "[ . 1 . 2]" 1
1423 1 90 SER H 1 90 SER HB2 . . 3.830 2.358 2.116 3.567 . 0 0 "[ . 1 . 2]" 1
1424 1 90 SER H 1 90 SER HB3 . . 3.860 3.291 2.301 3.534 . 0 0 "[ . 1 . 2]" 1
1425 1 90 SER H 1 93 THR HB . . 5.000 4.452 3.854 5.090 0.090 3 0 "[ . 1 . 2]" 1
1426 1 90 SER H 1 93 THR MG . . 5.140 5.262 5.152 5.325 0.185 16 0 "[ . 1 . 2]" 1
1427 1 90 SER H 1 94 THR H . . 4.450 3.850 3.302 4.476 0.026 16 0 "[ . 1 . 2]" 1
1428 1 90 SER H 1 94 THR HA . . 5.490 4.053 3.321 4.748 . 0 0 "[ . 1 . 2]" 1
1429 1 90 SER H 1 94 THR HB . . 3.730 2.357 1.779 3.002 . 0 0 "[ . 1 . 2]" 1
1430 1 90 SER H 1 94 THR MG . . 4.210 3.369 2.861 3.862 . 0 0 "[ . 1 . 2]" 1
1431 1 90 SER H 1 96 LEU QD . . 5.500 5.334 4.977 5.683 0.183 7 0 "[ . 1 . 2]" 1
1432 1 90 SER HB2 1 91 ALA H . . 4.640 3.961 2.305 4.659 0.019 17 0 "[ . 1 . 2]" 1
1433 1 90 SER HB2 1 93 THR MG . . 4.050 3.988 3.655 4.203 0.153 18 0 "[ . 1 . 2]" 1
1434 1 90 SER HB2 1 94 THR H . . 4.340 4.153 2.987 4.582 0.242 7 0 "[ . 1 . 2]" 1
1435 1 90 SER HB3 1 93 THR H . . 4.890 3.716 2.425 4.413 . 0 0 "[ . 1 . 2]" 1
1436 1 90 SER HB3 1 93 THR HA . . 5.500 5.219 4.315 5.653 0.153 8 0 "[ . 1 . 2]" 1
1437 1 90 SER HB3 1 93 THR HB . . 3.750 2.540 2.282 2.930 . 0 0 "[ . 1 . 2]" 1
1438 1 90 SER HB3 1 93 THR MG . . 4.100 3.747 3.507 3.997 . 0 0 "[ . 1 . 2]" 1
1439 1 90 SER HB3 1 94 THR H . . 4.370 3.825 3.038 4.438 0.068 7 0 "[ . 1 . 2]" 1
1440 1 91 ALA H 1 91 ALA MB . . 3.600 2.388 2.114 2.749 . 0 0 "[ . 1 . 2]" 1
1441 1 91 ALA H 1 92 SER H . . 5.450 4.065 3.003 4.649 . 0 0 "[ . 1 . 2]" 1
1442 1 91 ALA HA 1 92 SER H . . 3.550 3.122 2.874 3.537 . 0 0 "[ . 1 . 2]" 1
1443 1 91 ALA HA 1 92 SER HA . . 4.610 4.425 4.352 4.547 . 0 0 "[ . 1 . 2]" 1
1444 1 91 ALA HA 1 92 SER QB . . 4.910 4.796 4.542 5.009 0.099 12 0 "[ . 1 . 2]" 1
1445 1 91 ALA HA 1 93 THR H . . 4.540 4.287 4.135 4.622 0.082 15 0 "[ . 1 . 2]" 1
1446 1 91 ALA MB 1 92 SER H . . 3.860 1.907 1.851 2.011 . 0 0 "[ . 1 . 2]" 1
1447 1 91 ALA MB 1 92 SER HA . . 4.710 3.998 3.824 4.095 . 0 0 "[ . 1 . 2]" 1
1448 1 91 ALA MB 1 92 SER QB . . 4.660 3.338 3.110 4.008 . 0 0 "[ . 1 . 2]" 1
1449 1 92 SER H 1 93 THR H . . 4.330 2.532 2.137 2.791 . 0 0 "[ . 1 . 2]" 1
1450 1 92 SER H 1 93 THR HA . . 4.890 5.017 4.671 5.310 0.420 1 0 "[ . 1 . 2]" 1
1451 1 92 SER H 1 93 THR HB . . 5.500 5.088 4.606 5.451 . 0 0 "[ . 1 . 2]" 1
1452 1 92 SER HA 1 93 THR HA . . 5.220 4.786 4.615 4.926 . 0 0 "[ . 1 . 2]" 1
1453 1 92 SER QB 1 93 THR H . . 4.930 3.322 2.954 3.868 . 0 0 "[ . 1 . 2]" 1
1454 1 92 SER QB 1 93 THR HA . . 4.580 4.276 3.917 4.635 0.055 15 0 "[ . 1 . 2]" 1
1455 1 93 THR H 1 93 THR HB . . 3.120 2.741 2.522 2.993 . 0 0 "[ . 1 . 2]" 1
1456 1 93 THR H 1 93 THR MG . . 4.130 3.745 3.672 3.825 . 0 0 "[ . 1 . 2]" 1
1457 1 93 THR HA 1 93 THR MG . . 3.340 2.173 1.984 2.328 . 0 0 "[ . 1 . 2]" 1
1458 1 93 THR HB 1 94 THR H . . 3.740 3.041 2.764 3.422 . 0 0 "[ . 1 . 2]" 1
1459 1 93 THR HB 1 95 GLU H . . 5.500 5.769 4.991 5.972 0.472 13 0 "[ . 1 . 2]" 1
1460 1 93 THR MG 1 95 GLU H . . 5.410 4.865 3.851 5.470 0.060 12 0 "[ . 1 . 2]" 1
1461 1 93 THR MG 1 95 GLU QG . . 5.500 4.650 3.792 5.127 . 0 0 "[ . 1 . 2]" 1
1462 1 94 THR H 1 94 THR HB . . 3.550 2.503 2.318 2.746 . 0 0 "[ . 1 . 2]" 1
1463 1 94 THR H 1 94 THR MG . . 3.900 2.926 1.874 3.799 . 0 0 "[ . 1 . 2]" 1
1464 1 94 THR H 1 95 GLU H . . 5.110 4.216 3.231 4.539 . 0 0 "[ . 1 . 2]" 1
1465 1 94 THR H 1 96 LEU QD . . 5.500 4.650 4.289 5.308 . 0 0 "[ . 1 . 2]" 1
1466 1 94 THR HA 1 94 THR MG . . 3.650 2.829 2.381 3.204 . 0 0 "[ . 1 . 2]" 1
1467 1 94 THR HA 1 95 GLU H . . 3.320 2.212 2.145 2.775 . 0 0 "[ . 1 . 2]" 1
1468 1 94 THR HA 1 95 GLU QG . . 4.540 3.711 3.604 3.954 . 0 0 "[ . 1 . 2]" 1
1469 1 94 THR HB 1 95 GLU H . . 5.060 4.472 4.332 4.612 . 0 0 "[ . 1 . 2]" 1
1470 1 94 THR HB 1 96 LEU QD . . 4.520 3.733 3.074 4.501 . 0 0 "[ . 1 . 2]" 1
1471 1 94 THR MG 1 95 GLU H . . 4.030 3.575 2.978 4.169 0.139 18 0 "[ . 1 . 2]" 1
1472 1 94 THR MG 1 95 GLU HA . . 4.720 3.950 3.583 4.187 . 0 0 "[ . 1 . 2]" 1
1473 1 94 THR MG 1 96 LEU QD . . 3.760 2.089 1.737 3.111 . 0 0 "[ . 1 . 2]" 1
1474 1 95 GLU H 1 95 GLU QG . . 3.760 2.043 1.894 2.493 . 0 0 "[ . 1 . 2]" 1
1475 1 95 GLU H 1 96 LEU H . . 5.480 4.023 3.262 4.518 . 0 0 "[ . 1 . 2]" 1
1476 1 95 GLU H 1 96 LEU QD . . 5.500 3.984 3.159 5.011 . 0 0 "[ . 1 . 2]" 1
1477 1 95 GLU HA 1 96 LEU HB2 . . 5.500 5.532 4.867 5.827 0.327 1 0 "[ . 1 . 2]" 1
1478 1 95 GLU HA 1 96 LEU QD . . 5.050 2.894 2.474 4.006 . 0 0 "[ . 1 . 2]" 1
1479 1 95 GLU HA 1 97 VAL H . . 4.580 3.763 3.060 4.506 . 0 0 "[ . 1 . 2]" 1
1480 1 95 GLU QG 1 96 LEU H . . 5.400 4.385 4.034 4.538 . 0 0 "[ . 1 . 2]" 1
1481 1 96 LEU H 1 96 LEU HG . . 4.030 3.160 1.883 3.911 . 0 0 "[ . 1 . 2]" 1
1482 1 96 LEU H 1 96 LEU QD . . 4.230 1.785 1.511 2.331 . 0 0 "[ . 1 . 2]" 1
1483 1 96 LEU H 1 97 VAL H . . 3.760 2.521 2.034 3.142 . 0 0 "[ . 1 . 2]" 1
1484 1 96 LEU HA 1 96 LEU QD . . 4.000 2.879 2.060 3.374 . 0 0 "[ . 1 . 2]" 1
1485 1 96 LEU HB2 1 97 VAL H . . 3.800 3.153 1.960 3.869 0.069 7 0 "[ . 1 . 2]" 1
1486 1 96 LEU HB3 1 97 VAL H . . 3.970 3.993 3.382 4.343 0.373 7 0 "[ . 1 . 2]" 1
1487 1 96 LEU HG 1 97 VAL H . . 3.980 3.601 1.795 4.452 0.472 4 0 "[ . 1 . 2]" 1
1488 1 96 LEU QD 1 97 VAL H . . 4.170 2.219 1.706 2.867 . 0 0 "[ . 1 . 2]" 1
1489 1 96 LEU QD 1 97 VAL HB . . 5.500 3.236 2.309 4.808 . 0 0 "[ . 1 . 2]" 1
1490 1 97 VAL H 1 97 VAL HB . . 4.200 3.216 2.878 3.972 . 0 0 "[ . 1 . 2]" 1
1491 1 97 VAL H 1 97 VAL QG . . 4.090 2.513 2.008 3.260 . 0 0 "[ . 1 . 2]" 1
1492 1 97 VAL H 1 98 ARG H . . 5.230 4.349 4.191 4.480 . 0 0 "[ . 1 . 2]" 1
1493 1 97 VAL HA 1 98 ARG HA . . 5.340 4.415 4.371 4.539 . 0 0 "[ . 1 . 2]" 1
1494 1 97 VAL HA 1 98 ARG QG . . 5.500 4.729 3.961 5.628 0.128 19 0 "[ . 1 . 2]" 1
1495 1 97 VAL HB 1 98 ARG H . . 4.720 3.925 2.111 4.164 . 0 0 "[ . 1 . 2]" 1
1496 1 97 VAL QG 1 98 ARG H . . 3.940 2.071 1.889 2.762 . 0 0 "[ . 1 . 2]" 1
1497 1 97 VAL QG 1 98 ARG HA . . 4.900 3.385 3.211 3.530 . 0 0 "[ . 1 . 2]" 1
1498 1 98 ARG H 1 98 ARG HB3 . . 4.030 2.930 2.669 3.165 . 0 0 "[ . 1 . 2]" 1
1499 1 98 ARG H 1 98 ARG HD3 . . 5.090 2.893 1.928 5.769 0.679 10 1 "[ . + . 2]" 1
1500 1 98 ARG HA 1 98 ARG HD2 . . 4.970 4.307 3.904 4.991 0.021 4 0 "[ . 1 . 2]" 1
1501 1 98 ARG HA 1 98 ARG HD3 . . 4.920 4.383 3.845 4.895 . 0 0 "[ . 1 . 2]" 1
1502 1 98 ARG HA 1 99 VAL H . . 3.300 2.305 2.258 2.333 . 0 0 "[ . 1 . 2]" 1
1503 1 98 ARG HA 1 99 VAL HB . . 4.950 4.496 4.192 5.600 0.650 9 1 "[ . +1 . 2]" 1
1504 1 98 ARG HB2 1 98 ARG HD2 . . 4.010 3.219 2.413 3.751 . 0 0 "[ . 1 . 2]" 1
1505 1 98 ARG HB3 1 98 ARG HD3 . . 4.180 2.936 2.244 3.345 . 0 0 "[ . 1 . 2]" 1
1506 1 98 ARG HD3 1 99 VAL H . . 5.500 5.279 2.801 5.753 0.253 20 0 "[ . 1 . 2]" 1
1507 1 98 ARG QG 1 100 THR MG . . 4.620 3.626 2.653 4.541 . 0 0 "[ . 1 . 2]" 1
1508 1 98 ARG QG 1 99 VAL H . . 4.580 3.404 2.234 3.671 . 0 0 "[ . 1 . 2]" 1
1509 1 98 ARG QG 1 99 VAL QG . . 5.500 4.377 3.884 4.532 . 0 0 "[ . 1 . 2]" 1
1510 1 99 VAL H 1 99 VAL HB . . 3.680 2.672 2.437 3.774 0.094 9 0 "[ . 1 . 2]" 1
1511 1 99 VAL H 1 99 VAL QG . . 4.090 2.556 1.947 2.979 . 0 0 "[ . 1 . 2]" 1
1512 1 99 VAL HA 1 100 THR H . . 3.230 2.194 2.141 2.350 . 0 0 "[ . 1 . 2]" 1
1513 1 99 VAL HB 1 100 THR H . . 4.660 4.088 2.627 4.347 . 0 0 "[ . 1 . 2]" 1
1514 1 99 VAL QG 1 100 THR H . . 3.670 2.279 2.090 2.933 . 0 0 "[ . 1 . 2]" 1
1515 1 99 VAL QG 1 100 THR HB . . 5.020 4.672 4.352 5.094 0.074 9 0 "[ . 1 . 2]" 1
1516 1 99 VAL QG 1 100 THR MG . . 5.300 3.830 3.569 4.519 . 0 0 "[ . 1 . 2]" 1
1517 1 99 VAL QG 1 101 ASN H . . 5.500 4.610 3.934 4.806 . 0 0 "[ . 1 . 2]" 1
1518 1 99 VAL QG 1 101 ASN HB2 . . 5.500 4.978 3.884 5.420 . 0 0 "[ . 1 . 2]" 1
1519 1 100 THR H 1 100 THR HB . . 3.700 3.451 2.979 3.848 0.148 9 0 "[ . 1 . 2]" 1
1520 1 100 THR H 1 100 THR MG . . 4.050 2.452 2.011 3.962 . 0 0 "[ . 1 . 2]" 1
1521 1 100 THR HA 1 100 THR MG . . 3.730 2.818 2.097 3.208 . 0 0 "[ . 1 . 2]" 1
1522 1 100 THR MG 1 101 ASN HB2 . . 5.500 3.733 2.360 4.980 . 0 0 "[ . 1 . 2]" 1
1523 1 101 ASN HA 1 102 LEU QB . . 4.850 4.407 3.726 4.890 0.040 3 0 "[ . 1 . 2]" 1
1524 1 101 ASN HB3 1 102 LEU H . . 4.670 3.527 2.168 4.373 . 0 0 "[ . 1 . 2]" 1
1525 1 101 ASN HB3 1 102 LEU QB . . 5.500 4.472 3.052 5.457 . 0 0 "[ . 1 . 2]" 1
1526 1 102 LEU H 1 102 LEU QB . . 3.550 2.943 2.559 3.291 . 0 0 "[ . 1 . 2]" 1
1527 1 102 LEU H 1 102 LEU QD . . 4.900 3.213 1.789 4.011 . 0 0 "[ . 1 . 2]" 1
1528 1 102 LEU H 1 103 ASN HA . . 5.470 4.951 4.433 5.485 0.015 7 0 "[ . 1 . 2]" 1
1529 1 102 LEU HA 1 102 LEU QD . . 3.010 2.322 1.875 3.002 . 0 0 "[ . 1 . 2]" 1
1530 1 102 LEU QB 1 103 ASN H . . 4.620 2.422 2.020 3.090 . 0 0 "[ . 1 . 2]" 1
1531 1 102 LEU QB 1 103 ASN QB . . 5.500 4.083 3.461 4.809 . 0 0 "[ . 1 . 2]" 1
1532 1 102 LEU QB 1 103 ASN HD21 . . 5.500 4.530 2.458 5.502 0.002 6 0 "[ . 1 . 2]" 1
1533 1 102 LEU QD 1 103 ASN QB . . 5.500 3.781 2.914 4.938 . 0 0 "[ . 1 . 2]" 1
1534 1 102 LEU QD 1 103 ASN H . . 5.500 2.775 1.856 3.684 . 0 0 "[ . 1 . 2]" 1
1535 1 103 ASN H 1 104 PRO HD2 . . 5.500 4.771 4.732 4.817 . 0 0 "[ . 1 . 2]" 1
1536 1 103 ASN H 1 105 ILE MD . . 5.500 4.151 2.973 5.103 . 0 0 "[ . 1 . 2]" 1
1537 1 103 ASN HA 1 103 ASN HD22 . . 5.500 4.473 3.467 5.376 . 0 0 "[ . 1 . 2]" 1
1538 1 103 ASN HA 1 104 PRO HA . . 4.500 4.389 4.386 4.391 . 0 0 "[ . 1 . 2]" 1
1539 1 103 ASN HA 1 104 PRO HB2 . . 5.500 5.598 5.575 5.633 0.133 12 0 "[ . 1 . 2]" 1
1540 1 103 ASN HA 1 104 PRO HB3 . . 5.000 4.851 4.842 4.867 . 0 0 "[ . 1 . 2]" 1
1541 1 103 ASN HA 1 104 PRO HD3 . . 3.260 2.309 2.289 2.344 . 0 0 "[ . 1 . 2]" 1
1542 1 103 ASN HA 1 104 PRO HD2 . . 3.200 2.423 2.370 2.503 . 0 0 "[ . 1 . 2]" 1
1543 1 103 ASN HA 1 104 PRO HG2 . . 4.800 4.531 4.488 4.597 . 0 0 "[ . 1 . 2]" 1
1544 1 103 ASN HA 1 105 ILE MD . . 5.500 4.835 4.152 5.532 0.032 4 0 "[ . 1 . 2]" 1
1545 1 103 ASN QB 1 104 PRO HD3 . . 4.460 3.363 3.264 3.503 . 0 0 "[ . 1 . 2]" 1
1546 1 103 ASN QB 1 104 PRO HD2 . . 4.110 2.033 1.927 2.188 . 0 0 "[ . 1 . 2]" 1
1547 1 103 ASN QB 1 104 PRO HG2 . . 5.500 3.716 3.655 3.793 . 0 0 "[ . 1 . 2]" 1
1548 1 103 ASN QB 1 105 ILE HG12 . . 5.500 4.190 3.247 5.360 . 0 0 "[ . 1 . 2]" 1
1549 1 103 ASN QB 1 105 ILE MD . . 5.500 2.970 2.164 4.387 . 0 0 "[ . 1 . 2]" 1
1550 1 103 ASN HD21 1 105 ILE MD . . 5.500 4.519 2.211 5.535 0.035 6 0 "[ . 1 . 2]" 1
1551 1 104 PRO HA 1 105 ILE H . . 3.090 2.293 2.162 2.512 . 0 0 "[ . 1 . 2]" 1
1552 1 104 PRO HA 1 105 ILE HB . . 4.900 4.800 4.604 4.936 0.036 11 0 "[ . 1 . 2]" 1
1553 1 104 PRO HA 1 105 ILE HG12 . . 5.500 4.237 3.258 5.978 0.478 7 0 "[ . 1 . 2]" 1
1554 1 104 PRO HA 1 105 ILE MD . . 5.500 4.336 3.022 5.115 . 0 0 "[ . 1 . 2]" 1
1555 1 104 PRO HB2 1 105 ILE H . . 4.450 3.812 2.348 4.129 . 0 0 "[ . 1 . 2]" 1
1556 1 104 PRO HB3 1 105 ILE H . . 4.370 4.233 3.325 4.442 0.072 10 0 "[ . 1 . 2]" 1
1557 1 104 PRO HB3 1 106 TYR QE . . 5.500 4.425 3.261 5.399 . 0 0 "[ . 1 . 2]" 1
1558 1 104 PRO HD3 1 105 ILE H . . 5.800 5.360 5.292 5.494 . 0 0 "[ . 1 . 2]" 1
1559 1 104 PRO HD2 1 105 ILE H . . 5.290 5.269 5.153 5.500 0.210 13 0 "[ . 1 . 2]" 1
1560 1 104 PRO HG2 1 105 ILE H . . 4.900 4.904 4.208 5.043 0.143 7 0 "[ . 1 . 2]" 1
1561 1 104 PRO HG2 1 105 ILE MD . . 5.500 4.982 4.317 5.665 0.165 8 0 "[ . 1 . 2]" 1
1562 1 104 PRO HG2 1 106 TYR QD . . 5.500 4.812 3.875 5.516 0.016 7 0 "[ . 1 . 2]" 1
1563 1 104 PRO HG2 1 106 TYR QE . . 5.500 3.757 2.376 5.521 0.021 10 0 "[ . 1 . 2]" 1
1564 1 105 ILE H 1 105 ILE HB . . 3.400 2.645 2.381 2.883 . 0 0 "[ . 1 . 2]" 1
1565 1 105 ILE H 1 105 ILE HG13 . . 4.250 3.721 2.853 4.322 0.072 4 0 "[ . 1 . 2]" 1
1566 1 105 ILE H 1 105 ILE HG12 . . 4.040 2.681 1.983 4.269 0.229 7 0 "[ . 1 . 2]" 1
1567 1 105 ILE H 1 105 ILE MD . . 5.120 3.240 1.902 3.932 . 0 0 "[ . 1 . 2]" 1
1568 1 105 ILE H 1 105 ILE MG . . 4.060 3.826 3.728 3.948 . 0 0 "[ . 1 . 2]" 1
1569 1 105 ILE HA 1 105 ILE HG12 . . 4.110 3.168 2.900 3.571 . 0 0 "[ . 1 . 2]" 1
1570 1 105 ILE HA 1 105 ILE MD . . 4.650 2.324 1.983 3.749 . 0 0 "[ . 1 . 2]" 1
1571 1 105 ILE HA 1 105 ILE MG . . 3.590 2.260 2.133 2.463 . 0 0 "[ . 1 . 2]" 1
1572 1 105 ILE HA 1 106 TYR H . . 3.380 2.295 2.146 3.214 . 0 0 "[ . 1 . 2]" 1
1573 1 105 ILE HA 1 106 TYR HB2 . . 5.500 5.194 4.307 5.596 0.096 6 0 "[ . 1 . 2]" 1
1574 1 105 ILE HA 1 106 TYR HB3 . . 5.030 5.083 4.694 5.686 0.656 7 8 "[ . +**** * *-]" 1
1575 1 105 ILE HA 1 106 TYR QD . . 5.440 3.559 2.975 4.382 . 0 0 "[ . 1 . 2]" 1
1576 1 105 ILE HB 1 106 TYR H . . 4.390 3.839 3.461 4.343 . 0 0 "[ . 1 . 2]" 1
1577 1 105 ILE HB 1 106 TYR HA . . 5.500 4.563 4.300 5.326 . 0 0 "[ . 1 . 2]" 1
1578 1 105 ILE HB 1 106 TYR QD . . 5.500 5.146 4.732 5.531 0.031 20 0 "[ . 1 . 2]" 1
1579 1 105 ILE HG12 1 106 TYR H . . 5.500 4.958 4.420 5.137 . 0 0 "[ . 1 . 2]" 1
1580 1 105 ILE MD 1 106 TYR QD . . 5.500 5.027 4.524 5.635 0.135 8 0 "[ . 1 . 2]" 1
1581 1 105 ILE MG 1 106 TYR H . . 4.640 2.277 1.917 4.186 . 0 0 "[ . 1 . 2]" 1
1582 1 105 ILE MG 1 106 TYR QD . . 5.490 4.304 3.708 4.628 . 0 0 "[ . 1 . 2]" 1
1583 1 105 ILE MG 1 106 TYR QE . . 5.500 5.266 4.462 5.599 0.099 19 0 "[ . 1 . 2]" 1
1584 1 105 ILE MG 1 107 ALA HA . . 5.500 4.802 3.906 5.526 0.026 9 0 "[ . 1 . 2]" 1
1585 1 106 TYR H 1 106 TYR HB2 . . 4.130 3.549 2.860 3.989 . 0 0 "[ . 1 . 2]" 1
1586 1 106 TYR H 1 106 TYR HB3 . . 3.700 3.750 3.595 4.044 0.344 11 0 "[ . 1 . 2]" 1
1587 1 106 TYR H 1 106 TYR QD . . 4.720 3.239 2.509 3.842 . 0 0 "[ . 1 . 2]" 1
1588 1 106 TYR H 1 107 ALA MB . . 3.620 3.484 3.182 4.057 0.437 11 0 "[ . 1 . 2]" 1
1589 1 106 TYR HA 1 106 TYR QD . . 3.660 3.330 2.373 3.692 0.032 12 0 "[ . 1 . 2]" 1
1590 1 106 TYR HB2 1 107 ALA HA . . 5.500 4.617 3.931 5.401 . 0 0 "[ . 1 . 2]" 1
1591 1 106 TYR HB3 1 107 ALA H . . 5.500 4.200 3.498 4.654 . 0 0 "[ . 1 . 2]" 1
1592 1 106 TYR HB3 1 107 ALA MB . . 5.500 5.144 4.521 5.473 . 0 0 "[ . 1 . 2]" 1
1593 1 106 TYR QD 1 107 ALA HA . . 5.500 4.919 3.487 5.633 0.133 8 0 "[ . 1 . 2]" 1
1594 1 107 ALA HA 1 108 ASP HB3 . . 4.870 4.979 4.656 5.786 0.916 2 4 "[ + . -1* .* 2]" 1
1595 1 107 ALA MB 1 108 ASP H . . 5.100 2.972 1.968 3.698 . 0 0 "[ . 1 . 2]" 1
1596 1 107 ALA MB 1 108 ASP HA . . 4.770 4.152 3.785 4.476 . 0 0 "[ . 1 . 2]" 1
1597 1 108 ASP H 1 108 ASP HB2 . . 3.760 3.087 2.122 3.773 0.013 19 0 "[ . 1 . 2]" 1
1598 1 108 ASP H 1 108 ASP HB3 . . 3.910 3.180 2.458 3.794 . 0 0 "[ . 1 . 2]" 1
1599 1 108 ASP HA 1 108 ASP HB2 . . 2.820 2.560 2.334 2.927 0.107 2 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 52
_Distance_constraint_stats_list.Viol_count 315
_Distance_constraint_stats_list.Viol_total 341.873
_Distance_constraint_stats_list.Viol_max 0.270
_Distance_constraint_stats_list.Viol_rms 0.0360
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0164
_Distance_constraint_stats_list.Viol_average_violations_only 0.0543
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 VAL 1.557 0.154 20 0 "[ . 1 . 2]"
1 4 ILE 0.127 0.068 2 0 "[ . 1 . 2]"
1 10 GLY 1.941 0.225 18 0 "[ . 1 . 2]"
1 11 VAL 2.383 0.185 16 0 "[ . 1 . 2]"
1 12 ILE 1.406 0.101 17 0 "[ . 1 . 2]"
1 13 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 LEU 0.055 0.032 13 0 "[ . 1 . 2]"
1 20 GLY 0.694 0.149 17 0 "[ . 1 . 2]"
1 21 ASP 0.650 0.135 20 0 "[ . 1 . 2]"
1 23 VAL 2.474 0.154 10 0 "[ . 1 . 2]"
1 26 GLY 1.484 0.270 13 0 "[ . 1 . 2]"
1 27 GLN 0.097 0.057 15 0 "[ . 1 . 2]"
1 29 LEU 0.176 0.066 17 0 "[ . 1 . 2]"
1 30 PHE 1.017 0.121 16 0 "[ . 1 . 2]"
1 31 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ILE 0.430 0.100 4 0 "[ . 1 . 2]"
1 33 GLU 2.383 0.185 16 0 "[ . 1 . 2]"
1 68 THR 0.430 0.100 4 0 "[ . 1 . 2]"
1 70 ILE 1.138 0.121 16 0 "[ . 1 . 2]"
1 72 ALA 1.581 0.270 13 0 "[ . 1 . 2]"
1 76 GLY 2.474 0.154 10 0 "[ . 1 . 2]"
1 77 THR 0.576 0.266 19 0 "[ . 1 . 2]"
1 78 ILE 1.344 0.149 17 0 "[ . 1 . 2]"
1 79 GLY 1.327 0.174 17 0 "[ . 1 . 2]"
1 82 LEU 0.755 0.174 20 0 "[ . 1 . 2]"
1 86 GLY 0.917 0.101 17 0 "[ . 1 . 2]"
1 87 ASP 0.489 0.065 17 0 "[ . 1 . 2]"
1 89 VAL 1.941 0.225 18 0 "[ . 1 . 2]"
1 96 LEU 0.755 0.174 20 0 "[ . 1 . 2]"
1 97 VAL 0.127 0.068 2 0 "[ . 1 . 2]"
1 98 ARG 1.327 0.174 17 0 "[ . 1 . 2]"
1 99 VAL 1.557 0.154 20 0 "[ . 1 . 2]"
1 100 THR 0.576 0.266 19 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 26 GLY H 1 72 ALA O . . 2.300 2.344 2.015 2.570 0.270 13 0 "[ . 1 . 2]" 2
2 1 26 GLY N 1 72 ALA O . . 3.200 3.052 2.759 3.290 0.090 11 0 "[ . 1 . 2]" 2
3 1 27 GLN O 1 72 ALA H . . 2.300 2.035 1.786 2.357 0.057 15 0 "[ . 1 . 2]" 2
4 1 27 GLN O 1 72 ALA N . . 3.200 2.923 2.712 3.212 0.012 15 0 "[ . 1 . 2]" 2
5 1 82 LEU H 1 96 LEU O . . 2.300 2.256 1.781 2.474 0.174 20 0 "[ . 1 . 2]" 2
6 1 82 LEU N 1 96 LEU O . . 3.200 2.888 2.571 3.296 0.096 13 0 "[ . 1 . 2]" 2
7 1 2 VAL H 1 99 VAL O . . 2.300 2.306 2.073 2.441 0.141 6 0 "[ . 1 . 2]" 2
8 1 2 VAL N 1 99 VAL O . . 3.200 3.220 2.921 3.354 0.154 20 0 "[ . 1 . 2]" 2
9 1 2 VAL O 1 99 VAL H . . 2.300 1.843 1.747 1.976 . 0 0 "[ . 1 . 2]" 2
10 1 2 VAL O 1 99 VAL N . . 3.200 2.711 2.654 2.800 . 0 0 "[ . 1 . 2]" 2
11 1 4 ILE H 1 97 VAL O . . 2.300 2.096 1.782 2.368 0.068 2 0 "[ . 1 . 2]" 2
12 1 4 ILE N 1 97 VAL O . . 3.200 2.891 2.563 3.178 . 0 0 "[ . 1 . 2]" 2
13 1 10 GLY H 1 89 VAL O . . 2.300 2.367 2.188 2.525 0.225 18 0 "[ . 1 . 2]" 2
14 1 10 GLY N 1 89 VAL O . . 3.200 3.140 2.822 3.311 0.111 7 0 "[ . 1 . 2]" 2
15 1 10 GLY O 1 89 VAL H . . 2.300 1.916 1.741 2.113 . 0 0 "[ . 1 . 2]" 2
16 1 10 GLY O 1 89 VAL N . . 3.200 2.813 2.626 3.027 . 0 0 "[ . 1 . 2]" 2
17 1 12 ILE H 1 87 ASP O . . 2.300 2.229 1.922 2.311 0.011 17 0 "[ . 1 . 2]" 2
18 1 12 ILE N 1 87 ASP O . . 3.200 3.180 2.765 3.265 0.065 17 0 "[ . 1 . 2]" 2
19 1 12 ILE O 1 86 GLY H . . 2.300 2.319 1.931 2.401 0.101 17 0 "[ . 1 . 2]" 2
20 1 12 ILE O 1 86 GLY N . . 3.200 3.178 2.812 3.245 0.045 8 0 "[ . 1 . 2]" 2
21 1 11 VAL H 1 33 GLU O . . 2.300 2.358 2.096 2.482 0.182 16 0 "[ . 1 . 2]" 2
22 1 11 VAL N 1 33 GLU O . . 3.200 3.215 2.953 3.385 0.185 16 0 "[ . 1 . 2]" 2
23 1 11 VAL O 1 33 GLU H . . 2.300 2.028 1.778 2.351 0.051 19 0 "[ . 1 . 2]" 2
24 1 11 VAL O 1 33 GLU N . . 3.200 2.968 2.727 3.292 0.092 19 0 "[ . 1 . 2]" 2
25 1 13 VAL H 1 31 ILE O . . 2.300 1.788 1.713 2.032 . 0 0 "[ . 1 . 2]" 2
26 1 13 VAL N 1 31 ILE O . . 3.200 2.698 2.596 2.946 . 0 0 "[ . 1 . 2]" 2
27 1 16 LEU H 1 29 LEU O . . 2.300 2.095 1.681 2.332 0.032 13 0 "[ . 1 . 2]" 2
28 1 16 LEU N 1 29 LEU O . . 3.200 2.680 2.535 2.733 . 0 0 "[ . 1 . 2]" 2
29 1 20 GLY H 1 78 ILE O . . 2.300 2.266 1.886 2.449 0.149 17 0 "[ . 1 . 2]" 2
30 1 20 GLY N 1 78 ILE O . . 3.200 3.042 2.748 3.311 0.111 17 0 "[ . 1 . 2]" 2
31 1 21 ASP O 1 78 ILE H . . 2.300 2.163 1.800 2.365 0.065 20 0 "[ . 1 . 2]" 2
32 1 21 ASP O 1 78 ILE N . . 3.200 3.084 2.742 3.335 0.135 20 0 "[ . 1 . 2]" 2
33 1 23 VAL H 1 76 GLY O . . 2.300 1.988 1.786 2.364 0.064 20 0 "[ . 1 . 2]" 2
34 1 23 VAL N 1 76 GLY O . . 3.200 2.905 2.707 3.256 0.056 20 0 "[ . 1 . 2]" 2
35 1 23 VAL O 1 76 GLY H . . 2.300 2.366 2.277 2.435 0.135 10 0 "[ . 1 . 2]" 2
36 1 23 VAL O 1 76 GLY N . . 3.200 3.238 3.039 3.354 0.154 10 0 "[ . 1 . 2]" 2
37 1 29 LEU H 1 70 ILE O . . 2.300 2.085 1.774 2.329 0.029 17 0 "[ . 1 . 2]" 2
38 1 29 LEU N 1 70 ILE O . . 3.200 2.986 2.741 3.266 0.066 17 0 "[ . 1 . 2]" 2
39 1 30 PHE H 1 70 ILE O . . 2.300 2.254 2.049 2.372 0.072 20 0 "[ . 1 . 2]" 2
40 1 30 PHE N 1 70 ILE O . . 3.200 3.211 3.002 3.321 0.121 16 0 "[ . 1 . 2]" 2
41 1 30 PHE O 1 70 ILE H . . 2.300 1.862 1.751 1.990 . 0 0 "[ . 1 . 2]" 2
42 1 30 PHE O 1 70 ILE N . . 3.200 2.687 2.593 2.748 . 0 0 "[ . 1 . 2]" 2
43 1 32 ILE H 1 68 THR O . . 2.300 2.128 1.801 2.368 0.068 4 0 "[ . 1 . 2]" 2
44 1 32 ILE N 1 68 THR O . . 3.200 3.074 2.761 3.300 0.100 4 0 "[ . 1 . 2]" 2
45 1 32 ILE O 1 68 THR H . . 2.300 1.872 1.757 2.024 . 0 0 "[ . 1 . 2]" 2
46 1 32 ILE O 1 68 THR N . . 3.200 2.768 2.669 2.871 . 0 0 "[ . 1 . 2]" 2
47 1 77 THR O 1 100 THR H . . 2.300 1.924 1.766 2.323 0.023 15 0 "[ . 1 . 2]" 2
48 1 77 THR O 1 100 THR N . . 3.200 2.842 2.676 3.197 . 0 0 "[ . 1 . 2]" 2
49 1 77 THR H 1 100 THR O . . 2.300 2.144 1.802 2.566 0.266 19 0 "[ . 1 . 2]" 2
50 1 77 THR N 1 100 THR O . . 3.200 2.990 2.716 3.439 0.239 19 0 "[ . 1 . 2]" 2
51 1 79 GLY H 1 98 ARG O . . 2.300 2.290 1.829 2.414 0.114 19 0 "[ . 1 . 2]" 2
52 1 79 GLY N 1 98 ARG O . . 3.200 3.189 2.748 3.374 0.174 17 0 "[ . 1 . 2]" 2
stop_
save_
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