NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
632987 |
6bi6   |
30370 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6bi6
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 1204
_Distance_constraint_stats_list.Viol_count 2107
_Distance_constraint_stats_list.Viol_total 2879.100
_Distance_constraint_stats_list.Viol_max 0.985
_Distance_constraint_stats_list.Viol_rms 0.0503
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0106
_Distance_constraint_stats_list.Viol_average_violations_only 0.0911
_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 3 THR 0.211 0.081 14 0 "[ . 1 .]"
1 4 SER 4.460 0.904 2 3 "[ + . - * .]"
1 5 LEU 9.313 0.985 2 4 "[*+ . - * .]"
1 6 GLN 2.345 0.109 13 0 "[ . 1 .]"
1 7 LEU 3.015 0.102 6 0 "[ . 1 .]"
1 8 SER 1.893 0.281 11 0 "[ . 1 .]"
1 9 ILE 4.005 0.237 11 0 "[ . 1 .]"
1 10 VAL 1.334 0.281 11 0 "[ . 1 .]"
1 14 PRO 0.526 0.090 4 0 "[ . 1 .]"
1 15 GLN 1.340 0.258 5 0 "[ . 1 .]"
1 16 ASN 1.998 0.258 5 0 "[ . 1 .]"
1 17 TYR 5.879 0.792 14 1 "[ . 1 +.]"
1 18 ARG 5.642 0.835 13 4 "[ .* 1- +*.]"
1 19 TRP 2.130 0.092 13 0 "[ . 1 .]"
1 20 SER 5.264 0.297 13 0 "[ . 1 .]"
1 21 ALA 2.047 0.106 1 0 "[ . 1 .]"
1 22 GLY 1.141 0.080 12 0 "[ . 1 .]"
1 23 PHE 8.609 0.445 10 0 "[ . 1 .]"
1 24 ALA 3.439 0.099 6 0 "[ . 1 .]"
1 25 GLY 0.894 0.086 5 0 "[ . 1 .]"
1 26 SER 2.552 0.445 10 0 "[ . 1 .]"
1 27 LYS 5.575 0.307 2 0 "[ . 1 .]"
1 28 VAL 1.232 0.109 8 0 "[ . 1 .]"
1 29 GLU 1.340 0.126 9 0 "[ . 1 .]"
1 30 PRO 1.362 0.099 4 0 "[ . 1 .]"
1 31 ILE 7.422 0.732 6 1 "[ .+ 1 .]"
1 32 PRO 2.782 0.121 13 0 "[ . 1 .]"
1 33 GLN 4.307 0.096 13 0 "[ . 1 .]"
1 34 ASN 4.481 0.106 8 0 "[ . 1 .]"
1 35 GLY 2.009 0.110 6 0 "[ . 1 .]"
1 36 PRO 1.684 0.110 6 0 "[ . 1 .]"
1 37 CYS 0.797 0.107 10 0 "[ . 1 .]"
1 38 GLY 4.733 0.482 4 0 "[ . 1 .]"
1 39 ASP 3.632 0.482 4 0 "[ . 1 .]"
1 40 ASN 2.811 0.522 14 1 "[ . 1 +.]"
1 41 SER 5.397 0.935 13 3 "[ . 1 *+-.]"
1 42 LEU 4.820 0.902 12 3 "[ . 1-+* .]"
1 43 VAL 2.054 0.105 4 0 "[ . 1 .]"
1 44 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 45 LEU 1.401 0.090 10 0 "[ . 1 .]"
1 48 LEU 1.478 0.615 5 1 "[ + 1 .]"
1 49 SER 1.385 0.615 5 1 "[ + 1 .]"
1 50 PRO 1.882 0.306 7 0 "[ . 1 .]"
1 51 ASP 3.717 0.484 12 0 "[ . 1 .]"
1 52 GLY 2.306 0.484 12 0 "[ . 1 .]"
1 53 ASP 0.399 0.086 8 0 "[ . 1 .]"
1 54 ASN 5.435 0.606 11 5 "[ * ** - 1+ .]"
1 55 ALA 2.647 0.606 11 2 "[ . - 1+ .]"
1 56 TRP 3.601 0.098 7 0 "[ . 1 .]"
1 57 SER 2.508 0.342 13 0 "[ . 1 .]"
1 58 VAL 1.610 0.437 11 0 "[ . 1 .]"
1 59 MET 1.456 0.105 12 0 "[ . 1 .]"
1 60 TYR 2.243 0.105 2 0 "[ . 1 .]"
1 61 LYS 8.453 0.523 14 2 "[ . - 1 +.]"
1 62 LEU 0.108 0.052 15 0 "[ . 1 .]"
1 63 SER 1.542 0.506 9 1 "[ . +1 .]"
1 64 GLN 1.678 0.151 2 0 "[ . 1 .]"
1 65 ALA 0.563 0.151 2 0 "[ . 1 .]"
1 66 LEU 3.839 0.506 9 1 "[ . +1 .]"
1 67 SER 2.763 0.474 10 0 "[ . 1 .]"
1 68 ASP 3.124 0.104 9 0 "[ . 1 .]"
1 69 ILE 6.397 0.126 9 0 "[ . 1 .]"
1 70 GLU 3.457 0.108 9 0 "[ . 1 .]"
1 71 VAL 3.237 0.501 11 1 "[ . 1+ .]"
1 72 PRO 1.852 0.081 12 0 "[ . 1 .]"
1 73 CYS 1.050 0.081 12 0 "[ . 1 .]"
1 74 SER 0.456 0.103 11 0 "[ . 1 .]"
1 75 VAL 1.635 0.105 2 0 "[ . 1 .]"
1 76 LEU 4.552 0.649 9 4 "[ . *+1- *.]"
1 77 GLU 0.751 0.086 5 0 "[ . 1 .]"
1 78 CYS 3.680 0.898 8 3 "[ - .* + 1 .]"
1 79 GLU 0.729 0.238 10 0 "[ . 1 .]"
1 80 GLY 0.979 0.080 10 0 "[ . 1 .]"
1 81 GLU 3.227 0.898 8 3 "[ - .* + 1 .]"
1 84 LEU 0.454 0.061 11 0 "[ . 1 .]"
1 85 PHE 1.534 0.454 9 0 "[ . 1 .]"
1 86 VAL 4.023 0.125 6 0 "[ . 1 .]"
1 87 ASN 4.749 0.097 12 0 "[ . 1 .]"
1 88 ARG 11.643 0.935 13 3 "[ *. 1 *+ .]"
1 89 GLN 3.745 0.095 4 0 "[ . 1 .]"
1 90 ASP 6.827 0.501 11 1 "[ . 1+ .]"
1 91 GLU 3.523 0.228 13 0 "[ . 1 .]"
1 92 PHE 1.011 0.110 3 0 "[ . 1 .]"
1 93 ALA 3.461 0.147 10 0 "[ . 1 .]"
1 94 ALA 3.688 0.143 1 0 "[ . 1 .]"
1 95 THR 1.658 0.128 5 0 "[ . 1 .]"
1 96 CYS 2.061 0.113 10 0 "[ . 1 .]"
1 97 ARG 3.993 0.127 7 0 "[ . 1 .]"
1 98 LEU 2.004 0.110 10 0 "[ . 1 .]"
1 99 LYS 3.709 0.957 9 1 "[ . +1 .]"
1 100 ASN 4.499 0.957 9 1 "[ . +1 .]"
1 101 PHE 1.836 0.106 13 0 "[ . 1 .]"
1 102 GLY 1.964 0.587 15 1 "[ . 1 +]"
1 103 VAL 2.238 0.831 15 1 "[ . 1 +]"
1 104 ALA 1.842 0.831 15 1 "[ . 1 +]"
1 105 ILE 2.351 0.198 15 0 "[ . 1 .]"
1 106 ALA 2.368 0.198 15 0 "[ . 1 .]"
1 107 GLU 1.610 0.115 15 0 "[ . 1 .]"
1 108 PRO 1.819 0.275 13 0 "[ . 1 .]"
1 109 PHE 5.961 0.275 13 0 "[ . 1 .]"
1 110 SER 2.173 0.607 5 2 "[ + -1 .]"
1 111 ASN 2.732 0.637 5 1 "[ + 1 .]"
1 112 TYR 4.292 0.637 5 1 "[ + 1 .]"
1 113 ASN 6.311 0.616 10 2 "[ - . + .]"
1 114 PRO 11.063 0.953 14 7 "[** ** -* +.]"
1 115 PHE 13.043 0.953 14 7 "[** ** * 1- +.]"
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 1 105 ILE HB 1 106 ALA H . . 5.100 2.968 2.164 3.903 . 0 0 "[ . 1 .]" 1
2 1 105 ILE HG12 1 106 ALA H . . 5.230 4.544 3.680 5.185 . 0 0 "[ . 1 .]" 1
3 1 105 ILE MD 1 106 ALA H . . 4.890 4.389 3.437 4.996 0.106 15 0 "[ . 1 .]" 1
4 1 19 TRP H 1 19 TRP HE1 . . 4.860 4.742 4.508 4.933 0.073 15 0 "[ . 1 .]" 1
5 1 19 TRP HB3 1 19 TRP HE1 . . 5.160 5.106 5.026 5.178 0.018 6 0 "[ . 1 .]" 1
6 1 19 TRP HE1 1 24 ALA MB . . 4.980 3.988 3.323 4.428 . 0 0 "[ . 1 .]" 1
7 1 19 TRP HE1 1 42 LEU QD . . 4.140 3.372 3.014 3.922 . 0 0 "[ . 1 .]" 1
8 1 19 TRP HB2 1 19 TRP HE1 . . 4.920 4.695 4.669 4.730 . 0 0 "[ . 1 .]" 1
9 1 20 SER HB2 1 21 ALA H . . 4.450 4.475 4.385 4.524 0.074 3 0 "[ . 1 .]" 1
10 1 20 SER HB3 1 21 ALA H . . 4.470 4.117 4.016 4.299 . 0 0 "[ . 1 .]" 1
11 1 103 VAL HB 1 104 ALA H . . 5.500 2.965 2.123 4.541 . 0 0 "[ . 1 .]" 1
12 1 77 GLU QG 1 78 CYS H . . 4.280 3.878 2.380 4.353 0.073 10 0 "[ . 1 .]" 1
13 1 76 LEU H 1 85 PHE H . . 5.500 4.963 4.464 5.546 0.046 5 0 "[ . 1 .]" 1
14 1 75 VAL QG 1 76 LEU H . . 5.500 3.193 2.573 3.904 . 0 0 "[ . 1 .]" 1
15 1 76 LEU H 1 76 LEU QD . . 4.790 3.337 2.547 3.782 . 0 0 "[ . 1 .]" 1
16 1 79 GLU H 1 80 GLY HA2 . . 5.460 5.359 5.109 5.520 0.060 11 0 "[ . 1 .]" 1
17 1 75 VAL HB 1 76 LEU H . . 5.270 4.328 3.928 4.612 . 0 0 "[ . 1 .]" 1
18 1 74 SER QB 1 75 VAL H . . 4.220 3.308 2.622 3.907 . 0 0 "[ . 1 .]" 1
19 1 75 VAL H 1 76 LEU HG . . 5.500 4.261 3.502 5.110 . 0 0 "[ . 1 .]" 1
20 1 75 VAL H 1 75 VAL QG . . 3.980 2.485 2.050 2.767 . 0 0 "[ . 1 .]" 1
21 1 75 VAL H 1 84 LEU QD . . 4.400 4.195 3.432 4.453 0.053 2 0 "[ . 1 .]" 1
22 1 21 ALA HA 1 24 ALA H . . 5.030 4.909 4.402 5.107 0.077 3 0 "[ . 1 .]" 1
23 1 87 ASN HB2 1 88 ARG H . . 4.610 1.904 1.732 2.001 . 0 0 "[ . 1 .]" 1
24 1 88 ARG H 1 88 ARG QG . . 4.360 4.319 4.202 4.451 0.091 13 0 "[ . 1 .]" 1
25 1 24 ALA H 1 27 LYS HB3 . . 5.360 4.038 2.453 5.183 . 0 0 "[ . 1 .]" 1
26 1 23 PHE QD 1 24 ALA H . . 5.490 4.647 3.701 5.138 . 0 0 "[ . 1 .]" 1
27 1 19 TRP HB3 1 24 ALA H . . 4.950 4.086 3.115 5.008 0.058 2 0 "[ . 1 .]" 1
28 1 23 PHE HB2 1 24 ALA H . . 5.030 3.934 3.013 4.477 . 0 0 "[ . 1 .]" 1
29 1 24 ALA H 1 24 ALA MB . . 3.070 2.465 2.129 2.911 . 0 0 "[ . 1 .]" 1
30 1 42 LEU HA 1 88 ARG H . . 4.850 4.844 4.749 4.941 0.091 7 0 "[ . 1 .]" 1
31 1 23 PHE HB3 1 24 ALA H . . 4.610 4.295 4.018 4.527 . 0 0 "[ . 1 .]" 1
32 1 88 ARG H 1 89 GLN HA . . 5.500 4.952 4.628 5.063 . 0 0 "[ . 1 .]" 1
33 1 4 SER QB 1 5 LEU H . . 3.760 2.323 2.042 3.006 . 0 0 "[ . 1 .]" 1
34 1 5 LEU H 1 6 GLN QG . . 5.390 4.741 2.909 5.485 0.095 12 0 "[ . 1 .]" 1
35 1 5 LEU H 1 5 LEU HG . . 3.180 2.734 2.032 3.218 0.038 11 0 "[ . 1 .]" 1
36 1 5 LEU H 1 5 LEU MD2 . . 4.100 3.784 3.212 4.158 0.058 10 0 "[ . 1 .]" 1
37 1 114 PRO HD3 1 115 PHE H . . 3.910 3.764 3.613 3.949 0.039 5 0 "[ . 1 .]" 1
38 1 114 PRO HD2 1 115 PHE H . . 4.190 2.553 2.304 2.897 . 0 0 "[ . 1 .]" 1
39 1 115 PHE H 1 115 PHE HB2 . . 2.920 3.063 2.182 3.744 0.824 8 7 "[** ** + 1- *.]" 1
40 1 114 PRO HB3 1 115 PHE H . . 4.240 4.263 3.918 4.408 0.168 13 0 "[ . 1 .]" 1
41 1 114 PRO HG2 1 115 PHE H . . 3.520 2.747 1.971 3.088 . 0 0 "[ . 1 .]" 1
42 1 113 ASN HA 1 115 PHE H . . 3.980 3.428 3.002 3.801 . 0 0 "[ . 1 .]" 1
43 1 53 ASP H 1 56 TRP HD1 . . 5.500 4.596 3.694 5.586 0.086 8 0 "[ . 1 .]" 1
44 1 53 ASP H 1 54 ASN H . . 5.280 2.963 2.550 3.316 . 0 0 "[ . 1 .]" 1
45 1 90 ASP HA 1 93 ALA H . . 4.260 3.554 3.017 3.887 . 0 0 "[ . 1 .]" 1
46 1 9 ILE H 1 9 ILE MD . . 4.150 3.149 2.249 4.251 0.101 7 0 "[ . 1 .]" 1
47 1 72 PRO HG2 1 87 ASN H . . 5.500 5.250 4.617 5.567 0.067 8 0 "[ . 1 .]" 1
48 1 73 CYS HA 1 87 ASN H . . 5.320 4.856 4.395 5.127 . 0 0 "[ . 1 .]" 1
49 1 42 LEU HA 1 87 ASN H . . 5.340 4.794 4.620 5.081 . 0 0 "[ . 1 .]" 1
50 1 91 GLU HA 1 93 ALA H . . 5.400 4.712 4.512 4.870 . 0 0 "[ . 1 .]" 1
51 1 30 PRO HG2 1 31 ILE H . . 5.500 4.474 4.101 4.885 . 0 0 "[ . 1 .]" 1
52 1 31 ILE H 1 31 ILE HG13 . . 5.030 2.892 2.466 3.203 . 0 0 "[ . 1 .]" 1
53 1 64 GLN H 1 64 GLN HG2 . . 4.210 2.634 2.056 3.482 . 0 0 "[ . 1 .]" 1
54 1 64 GLN H 1 65 ALA MB . . 5.500 4.374 4.279 4.535 . 0 0 "[ . 1 .]" 1
55 1 112 TYR H 1 113 ASN H . . 3.800 2.980 1.627 3.870 0.070 3 0 "[ . 1 .]" 1
56 1 113 ASN H 1 114 PRO HG2 . . 5.500 5.429 5.245 5.565 0.065 2 0 "[ . 1 .]" 1
57 1 64 GLN H 1 65 ALA H . . 4.290 2.724 2.609 2.852 . 0 0 "[ . 1 .]" 1
58 1 64 GLN H 1 64 GLN HB2 . . 3.530 2.624 2.360 3.607 0.077 13 0 "[ . 1 .]" 1
59 1 53 ASP HA 1 55 ALA H . . 5.500 4.646 4.270 5.026 . 0 0 "[ . 1 .]" 1
60 1 113 ASN H 1 113 ASN HD21 . . 4.820 3.732 2.305 4.896 0.076 2 0 "[ . 1 .]" 1
61 1 113 ASN H 1 113 ASN HD22 . . 5.270 4.293 3.688 5.347 0.077 2 0 "[ . 1 .]" 1
62 1 112 TYR HA 1 113 ASN H . . 2.820 2.812 2.502 2.902 0.082 14 0 "[ . 1 .]" 1
63 1 113 ASN H 1 114 PRO HD3 . . 4.660 2.619 2.478 2.830 . 0 0 "[ . 1 .]" 1
64 1 113 ASN H 1 114 PRO HD2 . . 4.360 3.493 3.175 3.857 . 0 0 "[ . 1 .]" 1
65 1 43 VAL H 1 88 ARG HA . . 5.470 4.391 4.125 4.569 . 0 0 "[ . 1 .]" 1
66 1 54 ASN HB2 1 55 ALA H . . 4.590 3.148 2.260 3.843 . 0 0 "[ . 1 .]" 1
67 1 55 ALA H 1 56 TRP HB2 . . 5.150 4.626 4.206 5.211 0.061 7 0 "[ . 1 .]" 1
68 1 17 TYR QE 1 43 VAL H . . 5.500 3.704 3.307 4.215 . 0 0 "[ . 1 .]" 1
69 1 43 VAL H 1 87 ASN HA . . 5.350 3.570 3.327 4.079 . 0 0 "[ . 1 .]" 1
70 1 43 VAL H 1 88 ARG H . . 5.240 5.235 4.950 5.306 0.066 8 0 "[ . 1 .]" 1
71 1 42 LEU QD 1 43 VAL H . . 3.860 3.267 2.593 3.486 . 0 0 "[ . 1 .]" 1
72 1 74 SER QB 1 85 PHE H . . 4.860 3.222 2.636 3.685 . 0 0 "[ . 1 .]" 1
73 1 53 ASP H 1 55 ALA H . . 5.500 4.621 4.478 4.910 . 0 0 "[ . 1 .]" 1
74 1 43 VAL H 1 88 ARG QB . . 5.500 5.349 4.979 5.546 0.046 4 0 "[ . 1 .]" 1
75 1 84 LEU HB2 1 85 PHE H . . 5.310 4.180 3.524 4.636 . 0 0 "[ . 1 .]" 1
76 1 75 VAL QG 1 85 PHE H . . 4.790 4.180 3.973 4.466 . 0 0 "[ . 1 .]" 1
77 1 6 GLN QG 1 7 LEU H . . 5.500 4.000 2.871 4.621 . 0 0 "[ . 1 .]" 1
78 1 7 LEU H 1 7 LEU QB . . 3.680 2.855 1.803 3.289 . 0 0 "[ . 1 .]" 1
79 1 7 LEU H 1 7 LEU QD . . 5.070 2.388 1.831 3.741 . 0 0 "[ . 1 .]" 1
80 1 6 GLN QB 1 7 LEU H . . 4.260 3.573 1.837 3.991 . 0 0 "[ . 1 .]" 1
81 1 7 LEU H 1 50 PRO QD . . 5.500 5.079 4.264 5.602 0.102 6 0 "[ . 1 .]" 1
82 1 60 TYR HB3 1 61 LYS H . . 4.290 2.563 2.306 2.829 . 0 0 "[ . 1 .]" 1
83 1 60 TYR H 1 61 LYS H . . 4.170 2.786 2.609 2.896 . 0 0 "[ . 1 .]" 1
84 1 60 TYR HB2 1 61 LYS H . . 4.220 3.818 3.183 4.083 . 0 0 "[ . 1 .]" 1
85 1 61 LYS H 1 61 LYS HG2 . . 3.820 3.033 2.238 3.711 . 0 0 "[ . 1 .]" 1
86 1 92 PHE H 1 95 THR MG . . 5.500 4.095 3.830 4.306 . 0 0 "[ . 1 .]" 1
87 1 90 ASP H 1 92 PHE H . . 5.500 4.644 4.184 5.105 . 0 0 "[ . 1 .]" 1
88 1 45 LEU H 1 85 PHE HA . . 5.180 3.361 2.761 3.768 . 0 0 "[ . 1 .]" 1
89 1 99 LYS QE 1 105 ILE H . . 5.490 4.271 2.414 5.353 . 0 0 "[ . 1 .]" 1
90 1 27 LYS H 1 27 LYS HB2 . . 3.920 3.364 3.114 3.568 . 0 0 "[ . 1 .]" 1
91 1 27 LYS H 1 27 LYS HG3 . . 5.060 4.564 4.357 4.702 . 0 0 "[ . 1 .]" 1
92 1 58 VAL H 1 59 MET H . . 4.650 2.963 2.865 3.086 . 0 0 "[ . 1 .]" 1
93 1 58 VAL H 1 58 VAL HB . . 3.890 2.590 2.296 3.581 . 0 0 "[ . 1 .]" 1
94 1 58 VAL H 1 58 VAL QG . . 3.790 2.028 1.868 2.106 . 0 0 "[ . 1 .]" 1
95 1 60 TYR QD 1 61 LYS H . . 4.700 3.913 3.067 4.311 . 0 0 "[ . 1 .]" 1
96 1 61 LYS H 1 61 LYS HB3 . . 3.510 3.577 3.561 3.591 0.081 12 0 "[ . 1 .]" 1
97 1 61 LYS H 1 61 LYS HB2 . . 3.450 2.543 2.346 2.797 . 0 0 "[ . 1 .]" 1
98 1 57 SER HA 1 61 LYS H . . 5.500 3.985 3.505 4.359 . 0 0 "[ . 1 .]" 1
99 1 92 PHE H 1 93 ALA H . . 4.040 2.603 2.461 2.759 . 0 0 "[ . 1 .]" 1
100 1 91 GLU H 1 92 PHE H . . 4.330 2.719 2.527 2.944 . 0 0 "[ . 1 .]" 1
101 1 90 ASP HA 1 92 PHE H . . 4.830 4.584 4.309 4.909 0.079 14 0 "[ . 1 .]" 1
102 1 91 GLU HB3 1 92 PHE H . . 4.360 3.062 2.022 4.094 . 0 0 "[ . 1 .]" 1
103 1 92 PHE H 1 93 ALA MB . . 4.850 4.269 4.035 4.490 . 0 0 "[ . 1 .]" 1
104 1 20 SER H 1 21 ALA H . . 4.100 3.021 2.765 3.295 . 0 0 "[ . 1 .]" 1
105 1 19 TRP H 1 20 SER H . . 5.500 4.668 4.555 4.751 . 0 0 "[ . 1 .]" 1
106 1 45 LEU H 1 45 LEU HG . . 4.720 4.404 4.062 4.661 . 0 0 "[ . 1 .]" 1
107 1 105 ILE H 1 106 ALA H . . 4.890 4.295 3.923 4.461 . 0 0 "[ . 1 .]" 1
108 1 105 ILE H 1 105 ILE HG13 . . 4.450 3.644 2.450 4.323 . 0 0 "[ . 1 .]" 1
109 1 105 ILE H 1 105 ILE HG12 . . 4.760 3.335 2.294 4.555 . 0 0 "[ . 1 .]" 1
110 1 27 LYS H 1 28 VAL HA . . 5.000 4.771 4.583 4.951 . 0 0 "[ . 1 .]" 1
111 1 26 SER HB3 1 27 LYS H . . 4.600 4.467 4.269 4.693 0.093 1 0 "[ . 1 .]" 1
112 1 19 TRP HE3 1 27 LYS H . . 4.270 3.946 3.587 4.242 . 0 0 "[ . 1 .]" 1
113 1 26 SER HA 1 27 LYS H . . 3.450 2.712 2.399 3.134 . 0 0 "[ . 1 .]" 1
114 1 27 LYS H 1 27 LYS HB3 . . 3.970 2.993 2.665 3.214 . 0 0 "[ . 1 .]" 1
115 1 57 SER HB2 1 58 VAL H . . 4.320 3.039 2.146 3.834 . 0 0 "[ . 1 .]" 1
116 1 20 SER H 1 29 GLU QB . . 5.500 4.026 2.980 4.880 . 0 0 "[ . 1 .]" 1
117 1 76 LEU HB2 1 77 GLU H . . 5.080 3.688 3.310 4.256 . 0 0 "[ . 1 .]" 1
118 1 76 LEU HG 1 77 GLU H . . 5.130 4.739 3.931 5.206 0.076 2 0 "[ . 1 .]" 1
119 1 76 LEU QD 1 77 GLU H . . 5.500 3.618 3.214 4.206 . 0 0 "[ . 1 .]" 1
120 1 44 ALA MB 1 45 LEU H . . 4.320 3.169 2.655 3.637 . 0 0 "[ . 1 .]" 1
121 1 26 SER HB2 1 27 LYS H . . 4.630 4.463 3.950 4.692 0.062 8 0 "[ . 1 .]" 1
122 1 90 ASP HB3 1 91 GLU H . . 4.860 3.687 2.531 4.079 . 0 0 "[ . 1 .]" 1
123 1 63 SER H 1 65 ALA H . . 4.610 4.277 4.115 4.438 . 0 0 "[ . 1 .]" 1
124 1 107 GLU H 1 107 GLU QG . . 3.590 2.360 1.948 3.004 . 0 0 "[ . 1 .]" 1
125 1 107 GLU H 1 107 GLU QB . . 3.430 2.549 2.020 3.090 . 0 0 "[ . 1 .]" 1
126 1 45 LEU HG 1 107 GLU H . . 5.280 4.693 3.355 5.361 0.081 10 0 "[ . 1 .]" 1
127 1 106 ALA MB 1 107 GLU H . . 3.730 2.319 1.829 3.709 . 0 0 "[ . 1 .]" 1
128 1 90 ASP HB2 1 91 GLU H . . 4.440 3.352 2.563 4.417 . 0 0 "[ . 1 .]" 1
129 1 91 GLU H 1 91 GLU HB3 . . 3.320 2.713 2.320 3.548 0.228 13 0 "[ . 1 .]" 1
130 1 91 GLU H 1 94 ALA MB . . 5.500 4.676 4.408 4.934 . 0 0 "[ . 1 .]" 1
131 1 62 LEU HA 1 65 ALA H . . 4.740 3.354 3.037 3.626 . 0 0 "[ . 1 .]" 1
132 1 64 GLN HG2 1 65 ALA H . . 4.820 4.427 3.021 4.971 0.151 2 0 "[ . 1 .]" 1
133 1 64 GLN HB2 1 65 ALA H . . 3.720 2.743 2.379 3.782 0.062 13 0 "[ . 1 .]" 1
134 1 62 LEU QD 1 65 ALA H . . 5.500 4.567 4.077 5.122 . 0 0 "[ . 1 .]" 1
135 1 68 ASP H 1 70 GLU H . . 5.500 4.988 4.763 5.232 . 0 0 "[ . 1 .]" 1
136 1 69 ILE QG 1 71 VAL H . . 4.650 4.455 4.192 4.529 . 0 0 "[ . 1 .]" 1
137 1 70 GLU H 1 71 VAL H . . 3.560 1.756 1.600 1.940 . 0 0 "[ . 1 .]" 1
138 1 70 GLU HA 1 71 VAL H . . 3.360 3.281 3.130 3.437 0.077 12 0 "[ . 1 .]" 1
139 1 71 VAL H 1 71 VAL HB . . 3.360 2.678 2.558 2.815 . 0 0 "[ . 1 .]" 1
140 1 71 VAL H 1 71 VAL MG2 . . 3.250 2.580 2.340 2.976 . 0 0 "[ . 1 .]" 1
141 1 32 PRO HA 1 33 GLN H . . 2.980 2.346 2.223 2.460 . 0 0 "[ . 1 .]" 1
142 1 33 GLN H 1 33 GLN QB . . 2.960 2.790 2.577 2.966 0.006 12 0 "[ . 1 .]" 1
143 1 68 ASP H 1 69 ILE MD . . 4.390 4.327 4.082 4.474 0.084 9 0 "[ . 1 .]" 1
144 1 67 SER H 1 68 ASP H . . 3.970 2.652 2.514 2.753 . 0 0 "[ . 1 .]" 1
145 1 68 ASP H 1 69 ILE H . . 3.780 2.850 2.690 2.960 . 0 0 "[ . 1 .]" 1
146 1 101 PHE HB3 1 103 VAL H . . 5.500 3.811 2.947 5.589 0.089 15 0 "[ . 1 .]" 1
147 1 103 VAL H 1 103 VAL HB . . 3.860 3.559 2.674 3.900 0.040 9 0 "[ . 1 .]" 1
148 1 103 VAL H 1 103 VAL MG1 . . 4.190 2.926 2.172 3.917 . 0 0 "[ . 1 .]" 1
149 1 39 ASP H 1 39 ASP QB . . 3.910 2.982 2.399 3.403 . 0 0 "[ . 1 .]" 1
150 1 36 PRO HB3 1 37 CYS H . . 3.910 3.583 3.204 3.993 0.083 9 0 "[ . 1 .]" 1
151 1 39 ASP H 1 41 SER H . . 5.500 5.272 4.830 5.577 0.077 2 0 "[ . 1 .]" 1
152 1 37 CYS QB 1 39 ASP H . . 5.500 4.714 3.007 5.587 0.087 8 0 "[ . 1 .]" 1
153 1 36 PRO HA 1 37 CYS H . . 2.950 2.421 2.049 2.609 . 0 0 "[ . 1 .]" 1
154 1 37 CYS H 1 37 CYS QB . . 3.530 2.659 2.230 3.380 . 0 0 "[ . 1 .]" 1
155 1 61 LYS QD 1 62 LEU H . . 5.500 5.174 4.573 5.448 . 0 0 "[ . 1 .]" 1
156 1 111 ASN HB3 1 112 TYR H . . 3.680 3.477 2.351 4.317 0.637 5 1 "[ + 1 .]" 1
157 1 112 TYR H 1 114 PRO HD3 . . 5.500 4.375 2.261 4.850 . 0 0 "[ . 1 .]" 1
158 1 61 LYS H 1 62 LEU H . . 4.760 2.793 2.672 2.885 . 0 0 "[ . 1 .]" 1
159 1 61 LYS HB3 1 62 LEU H . . 4.700 3.615 3.307 3.845 . 0 0 "[ . 1 .]" 1
160 1 62 LEU H 1 62 LEU QD . . 4.150 2.464 2.352 2.608 . 0 0 "[ . 1 .]" 1
161 1 62 LEU H 1 62 LEU HB2 . . 3.820 2.241 2.146 2.304 . 0 0 "[ . 1 .]" 1
162 1 6 GLN H 1 7 LEU H . . 4.180 3.344 2.212 4.260 0.080 15 0 "[ . 1 .]" 1
163 1 42 LEU H 1 88 ARG HD2 . . 5.500 5.530 4.767 6.402 0.902 12 2 "[ . 1 +- .]" 1
164 1 42 LEU H 1 42 LEU QD . . 4.820 3.511 3.318 3.750 . 0 0 "[ . 1 .]" 1
165 1 62 LEU H 1 65 ALA H . . 5.500 4.738 4.524 4.865 . 0 0 "[ . 1 .]" 1
166 1 5 LEU HA 1 6 GLN H . . 3.020 2.995 2.499 3.093 0.073 6 0 "[ . 1 .]" 1
167 1 6 GLN H 1 6 GLN QB . . 3.140 2.578 2.116 3.071 . 0 0 "[ . 1 .]" 1
168 1 41 SER HB2 1 42 LEU H . . 4.310 3.522 2.566 3.910 . 0 0 "[ . 1 .]" 1
169 1 61 LYS HB2 1 62 LEU H . . 3.850 2.592 2.315 2.871 . 0 0 "[ . 1 .]" 1
170 1 18 ARG HB2 1 19 TRP H . . 3.990 2.334 1.998 3.473 . 0 0 "[ . 1 .]" 1
171 1 18 ARG HG2 1 19 TRP H . . 5.010 4.419 3.670 4.760 . 0 0 "[ . 1 .]" 1
172 1 19 TRP H 1 19 TRP HB3 . . 4.070 3.607 3.539 3.670 . 0 0 "[ . 1 .]" 1
173 1 18 ARG H 1 19 TRP H . . 5.190 4.393 4.316 4.479 . 0 0 "[ . 1 .]" 1
174 1 19 TRP H 1 42 LEU QD . . 4.740 2.858 2.296 3.146 . 0 0 "[ . 1 .]" 1
175 1 19 TRP H 1 21 ALA H . . 4.810 4.635 4.346 4.847 0.037 10 0 "[ . 1 .]" 1
176 1 19 TRP H 1 19 TRP HB2 . . 3.760 2.702 2.550 2.832 . 0 0 "[ . 1 .]" 1
177 1 18 ARG HB3 1 19 TRP H . . 4.260 3.456 2.047 3.805 . 0 0 "[ . 1 .]" 1
178 1 101 PHE H 1 101 PHE QD . . 4.820 3.638 2.665 4.177 . 0 0 "[ . 1 .]" 1
179 1 101 PHE H 1 102 GLY H . . 3.470 2.495 2.061 2.724 . 0 0 "[ . 1 .]" 1
180 1 101 PHE H 1 101 PHE HB2 . . 3.910 2.248 2.127 2.416 . 0 0 "[ . 1 .]" 1
181 1 100 ASN QB 1 101 PHE H . . 4.450 3.125 2.555 3.822 . 0 0 "[ . 1 .]" 1
182 1 98 LEU MD2 1 101 PHE H . . 5.260 4.808 4.449 5.298 0.038 15 0 "[ . 1 .]" 1
183 1 16 ASN H 1 16 ASN QB . . 3.790 2.636 2.177 3.151 . 0 0 "[ . 1 .]" 1
184 1 15 GLN QB 1 16 ASN H . . 3.630 2.605 1.976 3.707 0.077 3 0 "[ . 1 .]" 1
185 1 15 GLN HG2 1 16 ASN H . . 4.500 3.552 1.711 4.758 0.258 5 0 "[ . 1 .]" 1
186 1 16 ASN H 1 31 ILE MD . . 4.930 4.718 4.019 4.998 0.068 10 0 "[ . 1 .]" 1
187 1 98 LEU HB2 1 99 LYS H . . 5.170 3.032 2.802 3.297 . 0 0 "[ . 1 .]" 1
188 1 99 LYS H 1 105 ILE MD . . 4.760 3.169 2.581 3.889 . 0 0 "[ . 1 .]" 1
189 1 98 LEU HA 1 101 PHE H . . 4.510 3.067 2.707 3.354 . 0 0 "[ . 1 .]" 1
190 1 98 LEU HB2 1 101 PHE H . . 5.500 5.461 5.265 5.575 0.075 9 0 "[ . 1 .]" 1
191 1 16 ASN H 1 31 ILE HB . . 5.230 5.193 4.941 5.334 0.104 3 0 "[ . 1 .]" 1
192 1 98 LEU MD1 1 99 LYS H . . 5.500 4.883 4.571 5.115 . 0 0 "[ . 1 .]" 1
193 1 96 CYS H 1 97 ARG H . . 3.920 2.896 2.731 3.065 . 0 0 "[ . 1 .]" 1
194 1 94 ALA H 1 96 CYS H . . 5.140 4.260 4.122 4.382 . 0 0 "[ . 1 .]" 1
195 1 95 THR H 1 96 CYS H . . 3.910 2.776 2.700 2.913 . 0 0 "[ . 1 .]" 1
196 1 96 CYS H 1 109 PHE QD . . 5.500 3.873 3.531 4.134 . 0 0 "[ . 1 .]" 1
197 1 95 THR MG 1 96 CYS H . . 4.500 2.333 1.993 2.518 . 0 0 "[ . 1 .]" 1
198 1 97 ARG H 1 97 ARG QG . . 5.040 2.236 2.003 2.546 . 0 0 "[ . 1 .]" 1
199 1 97 ARG H 1 98 LEU H . . 4.130 2.763 2.630 2.853 . 0 0 "[ . 1 .]" 1
200 1 95 THR HA 1 97 ARG H . . 4.800 4.525 4.300 4.686 . 0 0 "[ . 1 .]" 1
201 1 94 ALA MB 1 97 ARG H . . 4.840 4.715 4.448 4.869 0.029 2 0 "[ . 1 .]" 1
202 1 95 THR MG 1 97 ARG H . . 5.500 4.718 4.410 4.967 . 0 0 "[ . 1 .]" 1
203 1 95 THR HA 1 99 LYS H . . 5.500 3.715 3.581 4.146 . 0 0 "[ . 1 .]" 1
204 1 95 THR H 1 97 ARG H . . 5.070 4.433 4.205 4.652 . 0 0 "[ . 1 .]" 1
205 1 67 SER H 1 68 ASP HB2 . . 5.490 4.610 4.259 4.912 . 0 0 "[ . 1 .]" 1
206 1 66 LEU HB2 1 67 SER H . . 4.380 2.798 2.652 3.932 . 0 0 "[ . 1 .]" 1
207 1 109 PHE H 1 109 PHE QD . . 4.070 2.560 1.855 3.905 . 0 0 "[ . 1 .]" 1
208 1 99 LYS HG3 1 100 ASN H . . 5.500 4.871 4.633 5.131 . 0 0 "[ . 1 .]" 1
209 1 78 CYS H 1 81 GLU H . . 4.330 2.877 2.521 3.176 . 0 0 "[ . 1 .]" 1
210 1 77 GLU HA 1 81 GLU H . . 4.670 4.542 4.195 4.756 0.086 5 0 "[ . 1 .]" 1
211 1 66 LEU H 1 67 SER H . . 3.680 2.520 2.228 2.896 . 0 0 "[ . 1 .]" 1
212 1 66 LEU HB3 1 67 SER H . . 3.980 3.393 2.566 3.746 . 0 0 "[ . 1 .]" 1
213 1 66 LEU HG 1 67 SER H . . 5.100 4.660 3.515 5.121 0.021 5 0 "[ . 1 .]" 1
214 1 67 SER H 1 68 ASP HA . . 5.280 5.274 5.155 5.348 0.068 3 0 "[ . 1 .]" 1
215 1 19 TRP HB3 1 23 PHE H . . 5.500 4.429 4.188 4.779 . 0 0 "[ . 1 .]" 1
216 1 108 PRO HB2 1 109 PHE H . . 3.810 2.721 2.284 3.151 . 0 0 "[ . 1 .]" 1
217 1 108 PRO HB3 1 109 PHE H . . 3.830 3.618 3.307 3.891 0.061 13 0 "[ . 1 .]" 1
218 1 98 LEU MD2 1 100 ASN H . . 5.500 5.315 4.990 5.545 0.045 1 0 "[ . 1 .]" 1
219 1 79 GLU QB 1 81 GLU H . . 4.130 3.627 3.199 3.882 . 0 0 "[ . 1 .]" 1
220 1 78 CYS HB2 1 81 GLU H . . 4.730 4.565 3.474 5.628 0.898 8 3 "[ - .* + 1 .]" 1
221 1 59 MET HB2 1 60 TYR H . . 5.110 3.927 3.817 4.058 . 0 0 "[ . 1 .]" 1
222 1 67 SER H 1 69 ILE H . . 4.980 4.138 4.025 4.245 . 0 0 "[ . 1 .]" 1
223 1 22 GLY H 1 23 PHE H . . 4.450 2.091 1.886 2.352 . 0 0 "[ . 1 .]" 1
224 1 23 PHE H 1 23 PHE QE . . 4.760 4.557 3.946 4.799 0.039 4 0 "[ . 1 .]" 1
225 1 23 PHE H 1 23 PHE HB2 . . 3.740 3.070 2.635 3.359 . 0 0 "[ . 1 .]" 1
226 1 23 PHE H 1 24 ALA MB . . 4.410 4.402 4.075 4.509 0.099 6 0 "[ . 1 .]" 1
227 1 21 ALA H 1 23 PHE H . . 4.870 4.576 4.304 4.928 0.058 11 0 "[ . 1 .]" 1
228 1 22 GLY HA3 1 23 PHE H . . 3.480 2.831 2.446 3.069 . 0 0 "[ . 1 .]" 1
229 1 6 GLN HA 1 8 SER H . . 4.380 3.880 3.338 4.472 0.092 6 0 "[ . 1 .]" 1
230 1 100 ASN H 1 100 ASN HD21 . . 5.200 3.311 2.261 3.967 . 0 0 "[ . 1 .]" 1
231 1 98 LEU HA 1 100 ASN H . . 5.500 4.028 3.668 4.319 . 0 0 "[ . 1 .]" 1
232 1 100 ASN H 1 100 ASN QB . . 3.760 2.298 2.028 2.714 . 0 0 "[ . 1 .]" 1
233 1 99 LYS QD 1 100 ASN H . . 4.790 4.810 4.454 4.891 0.101 5 0 "[ . 1 .]" 1
234 1 60 TYR H 1 75 VAL QG . . 5.260 3.771 3.440 4.052 . 0 0 "[ . 1 .]" 1
235 1 59 MET H 1 60 TYR H . . 4.950 2.795 2.700 2.963 . 0 0 "[ . 1 .]" 1
236 1 23 PHE H 1 27 LYS HG2 . . 4.510 3.268 2.981 3.611 . 0 0 "[ . 1 .]" 1
237 1 7 LEU QB 1 8 SER H . . 4.000 4.021 3.772 4.085 0.085 4 0 "[ . 1 .]" 1
238 1 7 LEU QD 1 8 SER H . . 4.360 3.364 2.857 4.056 . 0 0 "[ . 1 .]" 1
239 1 60 TYR H 1 60 TYR HB2 . . 4.020 2.462 2.077 2.636 . 0 0 "[ . 1 .]" 1
240 1 8 SER H 1 9 ILE H . . 5.500 4.406 3.788 4.701 . 0 0 "[ . 1 .]" 1
241 1 91 GLU HA 1 94 ALA H . . 4.460 3.791 3.329 4.142 . 0 0 "[ . 1 .]" 1
242 1 93 ALA MB 1 94 ALA H . . 3.570 2.371 2.222 2.547 . 0 0 "[ . 1 .]" 1
243 1 90 ASP HA 1 94 ALA H . . 4.620 3.425 2.906 3.830 . 0 0 "[ . 1 .]" 1
244 1 94 ALA H 1 97 ARG H . . 4.840 4.840 4.678 4.922 0.082 14 0 "[ . 1 .]" 1
245 1 17 TYR H 1 31 ILE HG13 . . 5.170 4.113 3.421 4.557 . 0 0 "[ . 1 .]" 1
246 1 16 ASN QB 1 17 TYR H . . 4.550 3.605 3.225 4.086 . 0 0 "[ . 1 .]" 1
247 1 88 ARG H 1 90 ASP H . . 4.800 2.627 2.372 2.792 . 0 0 "[ . 1 .]" 1
248 1 90 ASP H 1 91 GLU HA . . 5.270 5.349 5.324 5.361 0.091 2 0 "[ . 1 .]" 1
249 1 3 THR MG 1 4 SER H . . 5.460 3.521 2.235 4.400 . 0 0 "[ . 1 .]" 1
250 1 58 VAL HB 1 59 MET H . . 4.050 2.753 2.476 3.718 . 0 0 "[ . 1 .]" 1
251 1 89 GLN H 1 90 ASP H . . 3.680 2.397 2.142 2.830 . 0 0 "[ . 1 .]" 1
252 1 90 ASP H 1 91 GLU H . . 3.410 2.828 2.758 2.933 . 0 0 "[ . 1 .]" 1
253 1 90 ASP H 1 90 ASP HB3 . . 3.570 3.221 2.289 3.622 0.052 3 0 "[ . 1 .]" 1
254 1 90 ASP H 1 90 ASP HB2 . . 3.500 2.513 2.289 2.713 . 0 0 "[ . 1 .]" 1
255 1 89 GLN HB2 1 90 ASP H . . 4.190 3.776 3.585 4.002 . 0 0 "[ . 1 .]" 1
256 1 57 SER HA 1 59 MET H . . 5.470 4.678 4.404 4.949 . 0 0 "[ . 1 .]" 1
257 1 58 VAL QG 1 59 MET H . . 4.480 3.219 2.180 3.416 . 0 0 "[ . 1 .]" 1
258 1 98 LEU H 1 98 LEU HB3 . . 3.880 3.511 3.447 3.592 . 0 0 "[ . 1 .]" 1
259 1 97 ARG QG 1 98 LEU H . . 4.650 3.343 2.185 4.299 . 0 0 "[ . 1 .]" 1
260 1 98 LEU H 1 98 LEU MD2 . . 3.840 2.410 2.245 2.575 . 0 0 "[ . 1 .]" 1
261 1 28 VAL H 1 29 GLU H . . 5.420 4.426 4.316 4.659 . 0 0 "[ . 1 .]" 1
262 1 66 LEU H 1 66 LEU HB2 . . 4.110 2.263 2.094 2.483 . 0 0 "[ . 1 .]" 1
263 1 20 SER HA 1 29 GLU H . . 5.500 4.979 4.575 5.550 0.050 1 0 "[ . 1 .]" 1
264 1 66 LEU H 1 66 LEU HB3 . . 3.900 3.410 1.980 3.654 . 0 0 "[ . 1 .]" 1
265 1 88 ARG H 1 89 GLN H . . 4.350 2.647 2.431 2.937 . 0 0 "[ . 1 .]" 1
266 1 89 GLN H 1 91 GLU H . . 4.900 4.316 4.071 4.588 . 0 0 "[ . 1 .]" 1
267 1 89 GLN H 1 89 GLN HB2 . . 3.830 3.601 3.449 3.727 . 0 0 "[ . 1 .]" 1
268 1 88 ARG QB 1 89 GLN H . . 3.630 2.048 1.808 2.288 . 0 0 "[ . 1 .]" 1
269 1 88 ARG QG 1 89 GLN H . . 4.190 3.275 3.012 3.923 . 0 0 "[ . 1 .]" 1
270 1 38 GLY HA2 1 40 ASN H . . 4.860 4.070 3.621 4.423 . 0 0 "[ . 1 .]" 1
271 1 87 ASN H 1 89 GLN H . . 5.310 5.387 5.354 5.405 0.095 4 0 "[ . 1 .]" 1
272 1 43 VAL QG 1 89 GLN H . . 5.480 4.562 4.347 4.697 . 0 0 "[ . 1 .]" 1
273 1 34 ASN H 1 34 ASN QB . . 3.590 2.602 2.316 2.950 . 0 0 "[ . 1 .]" 1
274 1 33 GLN QG 1 34 ASN H . . 4.380 4.290 3.654 4.470 0.090 8 0 "[ . 1 .]" 1
275 1 39 ASP HA 1 40 ASN H . . 3.410 2.985 2.684 3.203 . 0 0 "[ . 1 .]" 1
276 1 38 GLY HA3 1 40 ASN H . . 4.360 4.146 3.653 4.758 0.398 12 0 "[ . 1 .]" 1
277 1 40 ASN H 1 40 ASN HB2 . . 3.330 2.665 2.260 3.044 . 0 0 "[ . 1 .]" 1
278 1 39 ASP QB 1 40 ASN H . . 4.030 3.699 3.419 3.825 . 0 0 "[ . 1 .]" 1
279 1 15 GLN H 1 15 GLN QB . . 3.470 2.649 2.094 3.297 . 0 0 "[ . 1 .]" 1
280 1 40 ASN H 1 88 ARG QB . . 5.500 5.262 4.501 5.592 0.092 7 0 "[ . 1 .]" 1
281 1 34 ASN H 1 34 ASN HD21 . . 4.280 2.872 2.231 3.876 . 0 0 "[ . 1 .]" 1
282 1 54 ASN H 1 55 ALA H . . 4.210 2.730 2.542 2.866 . 0 0 "[ . 1 .]" 1
283 1 53 ASP HB3 1 54 ASN H . . 4.120 3.340 2.534 4.112 . 0 0 "[ . 1 .]" 1
284 1 54 ASN H 1 55 ALA MB . . 5.500 4.321 4.130 4.525 . 0 0 "[ . 1 .]" 1
285 1 50 PRO HB2 1 51 ASP H . . 4.150 2.849 2.177 3.581 . 0 0 "[ . 1 .]" 1
286 1 50 PRO HB3 1 51 ASP H . . 3.920 3.698 3.334 4.226 0.306 7 0 "[ . 1 .]" 1
287 1 50 PRO HA 1 51 ASP H . . 3.480 2.632 2.165 3.566 0.086 8 0 "[ . 1 .]" 1
288 1 55 ALA MB 1 56 TRP H . . 5.500 2.534 2.254 2.752 . 0 0 "[ . 1 .]" 1
289 1 27 LYS HG2 1 28 VAL H . . 4.700 4.346 4.063 4.728 0.028 8 0 "[ . 1 .]" 1
290 1 109 PHE QD 1 110 SER H . . 4.450 4.001 3.217 4.558 0.108 5 0 "[ . 1 .]" 1
291 1 110 SER H 1 110 SER QB . . 3.460 2.540 2.088 3.166 . 0 0 "[ . 1 .]" 1
292 1 55 ALA H 1 56 TRP H . . 4.210 2.639 2.478 3.052 . 0 0 "[ . 1 .]" 1
293 1 27 LYS HB2 1 28 VAL H . . 4.610 4.216 4.165 4.266 . 0 0 "[ . 1 .]" 1
294 1 74 SER H 1 86 VAL MG2 . . 5.500 5.034 4.493 5.603 0.103 11 0 "[ . 1 .]" 1
295 1 73 CYS H 1 74 SER HA . . 5.500 4.895 4.488 5.411 . 0 0 "[ . 1 .]" 1
296 1 41 SER H 1 88 ARG QG . . 4.570 4.444 3.672 4.671 0.101 13 0 "[ . 1 .]" 1
297 1 17 TYR H 1 18 ARG H . . 5.500 4.368 4.276 4.487 . 0 0 "[ . 1 .]" 1
298 1 18 ARG H 1 31 ILE MD . . 5.330 4.313 3.680 5.305 . 0 0 "[ . 1 .]" 1
299 1 18 ARG H 1 28 VAL QG . . 5.500 4.827 4.211 5.068 . 0 0 "[ . 1 .]" 1
300 1 85 PHE HB3 1 86 VAL H . . 5.210 3.303 2.902 3.921 . 0 0 "[ . 1 .]" 1
301 1 85 PHE HB2 1 86 VAL H . . 5.500 4.090 3.718 4.348 . 0 0 "[ . 1 .]" 1
302 1 43 VAL HB 1 86 VAL H . . 5.500 5.228 5.135 5.334 . 0 0 "[ . 1 .]" 1
303 1 85 PHE H 1 86 VAL H . . 5.310 4.254 3.616 4.431 . 0 0 "[ . 1 .]" 1
304 1 40 ASN H 1 41 SER H . . 3.470 3.163 2.462 3.548 0.078 11 0 "[ . 1 .]" 1
305 1 40 ASN HA 1 41 SER H . . 3.030 2.699 2.323 3.087 0.057 3 0 "[ . 1 .]" 1
306 1 39 ASP HA 1 41 SER H . . 4.060 3.830 3.330 4.153 0.093 12 0 "[ . 1 .]" 1
307 1 41 SER H 1 41 SER HB3 . . 3.390 3.272 2.608 3.542 0.152 14 0 "[ . 1 .]" 1
308 1 41 SER H 1 88 ARG HD2 . . 4.620 4.492 1.916 5.555 0.935 13 2 "[ . 1 -+ .]" 1
309 1 41 SER H 1 88 ARG QB . . 3.960 3.325 2.613 4.079 0.119 4 0 "[ . 1 .]" 1
310 1 41 SER H 1 42 LEU HA . . 5.500 4.932 4.484 5.408 . 0 0 "[ . 1 .]" 1
311 1 18 ARG H 1 30 PRO HA . . 4.930 3.632 3.401 3.803 . 0 0 "[ . 1 .]" 1
312 1 17 TYR QD 1 18 ARG H . . 4.560 2.959 2.471 3.456 . 0 0 "[ . 1 .]" 1
313 1 18 ARG H 1 18 ARG HD3 . . 5.500 5.082 4.810 5.575 0.075 11 0 "[ . 1 .]" 1
314 1 85 PHE QD 1 86 VAL H . . 5.100 4.526 4.090 4.894 . 0 0 "[ . 1 .]" 1
315 1 69 ILE QG 1 70 GLU H . . 4.440 3.508 3.432 3.639 . 0 0 "[ . 1 .]" 1
316 1 67 SER HA 1 70 GLU H . . 3.880 3.801 3.540 3.959 0.079 9 0 "[ . 1 .]" 1
317 1 70 GLU H 1 71 VAL MG2 . . 3.770 2.776 2.245 3.662 . 0 0 "[ . 1 .]" 1
318 1 70 GLU H 1 71 VAL HA . . 4.350 4.373 4.255 4.436 0.086 12 0 "[ . 1 .]" 1
319 1 66 LEU HG 1 97 ARG HE . . 5.360 4.644 2.544 5.432 0.072 15 0 "[ . 1 .]" 1
320 1 94 ALA HA 1 97 ARG HE . . 5.500 3.834 2.619 4.872 . 0 0 "[ . 1 .]" 1
321 1 3 THR H 1 3 THR MG . . 4.600 3.343 2.052 4.118 . 0 0 "[ . 1 .]" 1
322 1 63 SER H 1 64 GLN H . . 3.950 2.923 2.677 3.148 . 0 0 "[ . 1 .]" 1
323 1 60 TYR HA 1 63 SER H . . 4.450 3.419 3.114 3.646 . 0 0 "[ . 1 .]" 1
324 1 62 LEU HB2 1 63 SER H . . 3.810 2.954 2.776 3.190 . 0 0 "[ . 1 .]" 1
325 1 63 SER H 1 75 VAL QG . . 4.250 4.002 3.662 4.229 . 0 0 "[ . 1 .]" 1
326 1 57 SER H 1 57 SER HB2 . . 3.330 2.727 2.264 3.672 0.342 13 0 "[ . 1 .]" 1
327 1 56 TRP HB3 1 57 SER H . . 3.730 2.776 2.259 3.266 . 0 0 "[ . 1 .]" 1
328 1 23 PHE QD 1 26 SER H . . 5.500 4.983 4.422 5.215 . 0 0 "[ . 1 .]" 1
329 1 87 ASN HA 1 87 ASN HD21 . . 4.640 4.013 3.663 4.427 . 0 0 "[ . 1 .]" 1
330 1 24 ALA HA 1 26 SER H . . 4.410 4.315 3.914 4.496 0.086 13 0 "[ . 1 .]" 1
331 1 23 PHE HB2 1 26 SER H . . 3.950 3.076 2.598 3.367 . 0 0 "[ . 1 .]" 1
332 1 26 SER H 1 27 LYS HB3 . . 4.830 4.178 3.981 4.648 . 0 0 "[ . 1 .]" 1
333 1 26 SER H 1 76 LEU QD . . 5.500 4.626 4.106 5.043 . 0 0 "[ . 1 .]" 1
334 1 26 SER H 1 27 LYS HB2 . . 4.860 4.059 3.781 4.283 . 0 0 "[ . 1 .]" 1
335 1 24 ALA MB 1 26 SER H . . 4.970 4.507 4.251 4.818 . 0 0 "[ . 1 .]" 1
336 1 42 LEU QD 1 87 ASN HD21 . . 5.500 4.519 4.076 5.036 . 0 0 "[ . 1 .]" 1
337 1 71 VAL MG2 1 87 ASN HD21 . . 5.500 5.288 4.858 5.597 0.097 12 0 "[ . 1 .]" 1
338 1 72 PRO HA 1 87 ASN HD22 . . 5.500 5.098 4.526 5.581 0.081 10 0 "[ . 1 .]" 1
339 1 87 ASN HD22 1 88 ARG H . . 5.300 5.348 5.225 5.389 0.089 4 0 "[ . 1 .]" 1
340 1 72 PRO HG2 1 87 ASN HD21 . . 5.020 3.286 2.919 3.643 . 0 0 "[ . 1 .]" 1
341 1 72 PRO HD2 1 87 ASN HD21 . . 3.990 3.077 2.672 3.320 . 0 0 "[ . 1 .]" 1
342 1 72 PRO HG3 1 87 ASN HD22 . . 5.030 3.400 2.857 3.834 . 0 0 "[ . 1 .]" 1
343 1 42 LEU QD 1 87 ASN HD22 . . 5.500 4.142 3.610 4.757 . 0 0 "[ . 1 .]" 1
344 1 71 VAL HA 1 87 ASN HD22 . . 5.500 4.377 3.788 5.414 . 0 0 "[ . 1 .]" 1
345 1 95 THR H 1 109 PHE QD . . 5.500 4.911 4.606 5.588 0.088 3 0 "[ . 1 .]" 1
346 1 95 THR H 1 95 THR HB . . 3.880 2.603 2.387 2.854 . 0 0 "[ . 1 .]" 1
347 1 95 THR H 1 96 CYS HB3 . . 5.200 5.125 4.883 5.257 0.057 15 0 "[ . 1 .]" 1
348 1 95 THR H 1 105 ILE MD . . 5.380 4.851 3.783 5.448 0.068 6 0 "[ . 1 .]" 1
349 1 94 ALA H 1 95 THR H . . 4.020 2.918 2.821 2.996 . 0 0 "[ . 1 .]" 1
350 1 33 GLN H 1 34 ASN HD21 . . 5.500 4.646 4.009 5.335 . 0 0 "[ . 1 .]" 1
351 1 48 LEU HB3 1 49 SER H . . 3.760 2.934 1.926 4.375 0.615 5 1 "[ + 1 .]" 1
352 1 48 LEU QD 1 49 SER H . . 4.070 2.646 1.641 3.765 . 0 0 "[ . 1 .]" 1
353 1 32 PRO QG 1 34 ASN HD22 . . 4.370 2.133 1.867 2.490 . 0 0 "[ . 1 .]" 1
354 1 34 ASN HA 1 34 ASN HD22 . . 4.960 4.082 3.645 4.610 . 0 0 "[ . 1 .]" 1
355 1 31 ILE MG 1 34 ASN HD22 . . 4.610 4.285 3.498 4.716 0.106 8 0 "[ . 1 .]" 1
356 1 113 ASN HB2 1 113 ASN HD22 . . 4.060 3.657 3.508 4.098 0.038 7 0 "[ . 1 .]" 1
357 1 34 ASN HA 1 34 ASN HD21 . . 4.690 3.219 2.221 4.410 . 0 0 "[ . 1 .]" 1
358 1 40 ASN HA 1 89 GLN QE . . 4.850 4.523 3.984 4.710 . 0 0 "[ . 1 .]" 1
359 1 32 PRO HB2 1 34 ASN HD22 . . 4.530 4.167 3.699 4.592 0.062 6 0 "[ . 1 .]" 1
360 1 34 ASN QB 1 34 ASN HD22 . . 3.600 3.424 3.279 3.576 . 0 0 "[ . 1 .]" 1
361 1 87 ASN HB2 1 89 GLN QE . . 4.640 4.104 3.611 4.574 . 0 0 "[ . 1 .]" 1
362 1 54 ASN HB3 1 54 ASN HD21 . . 3.470 2.864 2.258 3.594 0.124 2 0 "[ . 1 .]" 1
363 1 88 ARG QG 1 89 GLN QE . . 4.870 3.601 3.041 4.521 . 0 0 "[ . 1 .]" 1
364 1 54 ASN HA 1 54 ASN HD22 . . 4.920 4.264 3.675 4.731 . 0 0 "[ . 1 .]" 1
365 1 54 ASN HB3 1 54 ASN HD22 . . 3.550 3.773 3.509 4.115 0.565 2 4 "[ + -* 1* .]" 1
366 1 89 GLN H 1 89 GLN QE . . 5.170 2.559 2.189 3.083 . 0 0 "[ . 1 .]" 1
367 1 54 ASN HA 1 54 ASN HD21 . . 4.740 3.962 2.774 4.524 . 0 0 "[ . 1 .]" 1
368 1 16 ASN QD 1 31 ILE MD . . 5.370 4.274 2.307 4.885 . 0 0 "[ . 1 .]" 1
369 1 99 LYS QB 1 100 ASN HD22 . . 5.500 5.446 4.394 6.457 0.957 9 1 "[ . +1 .]" 1
370 1 100 ASN HA 1 100 ASN HD21 . . 4.840 3.147 2.234 4.438 . 0 0 "[ . 1 .]" 1
371 1 100 ASN HA 1 100 ASN HD22 . . 4.600 3.929 3.200 4.946 0.346 12 0 "[ . 1 .]" 1
372 1 97 ARG HA 1 100 ASN HD21 . . 5.220 4.277 2.059 5.296 0.076 6 0 "[ . 1 .]" 1
373 1 100 ASN H 1 100 ASN HD22 . . 4.990 4.550 3.459 5.062 0.072 13 0 "[ . 1 .]" 1
374 1 21 ALA H 1 22 GLY H . . 5.130 3.079 2.916 3.384 . 0 0 "[ . 1 .]" 1
375 1 22 GLY H 1 23 PHE HA . . 4.740 4.676 4.262 4.820 0.080 12 0 "[ . 1 .]" 1
376 1 38 GLY H 1 39 ASP H . . 4.290 3.356 1.888 4.327 0.037 10 0 "[ . 1 .]" 1
377 1 36 PRO HB2 1 38 GLY H . . 4.730 3.487 2.172 4.792 0.062 4 0 "[ . 1 .]" 1
378 1 36 PRO HB3 1 38 GLY H . . 5.300 4.871 3.736 5.379 0.079 4 0 "[ . 1 .]" 1
379 1 69 ILE H 1 69 ILE QG . . 3.230 2.194 2.058 2.257 . 0 0 "[ . 1 .]" 1
380 1 34 ASN H 1 35 GLY H . . 3.810 2.867 1.939 3.636 . 0 0 "[ . 1 .]" 1
381 1 31 ILE MG 1 35 GLY H . . 4.360 2.891 2.116 3.935 . 0 0 "[ . 1 .]" 1
382 1 34 ASN HA 1 35 GLY H . . 3.560 3.318 2.425 3.616 0.056 5 0 "[ . 1 .]" 1
383 1 33 GLN HA 1 35 GLY H . . 3.810 3.747 3.263 3.889 0.079 2 0 "[ . 1 .]" 1
384 1 34 ASN QB 1 35 GLY H . . 3.980 3.111 2.369 3.975 . 0 0 "[ . 1 .]" 1
385 1 52 GLY H 1 55 ALA H . . 5.500 4.106 2.767 4.911 . 0 0 "[ . 1 .]" 1
386 1 52 GLY H 1 53 ASP H . . 5.390 4.099 3.003 4.444 . 0 0 "[ . 1 .]" 1
387 1 51 ASP H 1 52 GLY H . . 5.500 4.371 4.144 4.581 . 0 0 "[ . 1 .]" 1
388 1 51 ASP HB3 1 52 GLY H . . 3.940 3.422 1.978 4.042 0.102 12 0 "[ . 1 .]" 1
389 1 51 ASP HB2 1 52 GLY H . . 4.130 3.083 1.920 3.953 . 0 0 "[ . 1 .]" 1
390 1 52 GLY H 1 55 ALA MB . . 5.260 3.124 2.086 3.931 . 0 0 "[ . 1 .]" 1
391 1 101 PHE HB2 1 102 GLY H . . 3.970 3.570 2.971 4.041 0.071 8 0 "[ . 1 .]" 1
392 1 102 GLY H 1 103 VAL MG1 . . 4.720 4.413 3.837 4.843 0.123 12 0 "[ . 1 .]" 1
393 1 101 PHE QD 1 102 GLY H . . 5.130 4.585 3.798 4.978 . 0 0 "[ . 1 .]" 1
394 1 102 GLY H 1 103 VAL MG2 . . 4.220 3.515 2.077 4.807 0.587 15 1 "[ . 1 +]" 1
395 1 80 GLY H 1 81 GLU H . . 4.140 1.954 1.725 2.532 . 0 0 "[ . 1 .]" 1
396 1 79 GLU QB 1 80 GLY H . . 3.910 2.563 1.980 3.663 . 0 0 "[ . 1 .]" 1
397 1 76 LEU HB2 1 85 PHE HZ . . 5.500 4.101 3.593 4.532 . 0 0 "[ . 1 .]" 1
398 1 76 LEU HB2 1 85 PHE QE . . 4.940 2.468 2.116 3.995 . 0 0 "[ . 1 .]" 1
399 1 17 TYR QD 1 42 LEU HB2 . . 5.380 3.572 3.203 5.388 0.008 5 0 "[ . 1 .]" 1
400 1 42 LEU HB3 1 43 VAL H . . 5.130 2.711 2.382 4.176 . 0 0 "[ . 1 .]" 1
401 1 17 TYR QE 1 42 LEU HB3 . . 5.320 3.264 3.064 3.661 . 0 0 "[ . 1 .]" 1
402 1 102 GLY HA3 1 103 VAL MG2 . . 5.400 4.527 3.767 4.998 . 0 0 "[ . 1 .]" 1
403 1 79 GLU QB 1 80 GLY HA3 . . 5.400 4.040 3.635 4.702 . 0 0 "[ . 1 .]" 1
404 1 22 GLY HA3 1 23 PHE HA . . 5.250 4.533 4.218 4.668 . 0 0 "[ . 1 .]" 1
405 1 38 GLY HA2 1 39 ASP HA . . 4.880 4.507 4.228 4.704 . 0 0 "[ . 1 .]" 1
406 1 21 ALA MB 1 22 GLY HA2 . . 5.250 4.345 4.207 4.464 . 0 0 "[ . 1 .]" 1
407 1 31 ILE MG 1 35 GLY HA3 . . 4.780 4.587 3.405 4.888 0.108 6 0 "[ . 1 .]" 1
408 1 35 GLY HA2 1 36 PRO QG . . 4.620 4.127 3.931 4.457 . 0 0 "[ . 1 .]" 1
409 1 31 ILE MG 1 35 GLY HA2 . . 5.100 4.162 2.096 5.171 0.071 10 0 "[ . 1 .]" 1
410 1 17 TYR HB3 1 18 ARG H . . 5.280 3.833 3.645 3.949 . 0 0 "[ . 1 .]" 1
411 1 18 ARG HD3 1 19 TRP H . . 5.500 4.986 3.314 5.572 0.072 15 0 "[ . 1 .]" 1
412 1 17 TYR HB2 1 18 ARG HG2 . . 5.500 5.009 4.072 6.292 0.792 14 1 "[ . 1 +.]" 1
413 1 43 VAL QG 1 88 ARG HD3 . . 4.450 3.297 2.266 3.834 . 0 0 "[ . 1 .]" 1
414 1 88 ARG QB 1 88 ARG HD2 . . 3.810 2.787 2.353 3.422 . 0 0 "[ . 1 .]" 1
415 1 17 TYR HB3 1 31 ILE HB . . 5.450 5.419 5.007 5.530 0.080 11 0 "[ . 1 .]" 1
416 1 41 SER HB3 1 88 ARG HD3 . . 4.560 3.815 2.693 4.682 0.122 14 0 "[ . 1 .]" 1
417 1 88 ARG H 1 90 ASP HB3 . . 5.020 4.211 2.672 4.783 . 0 0 "[ . 1 .]" 1
418 1 97 ARG QD 1 98 LEU H . . 5.070 4.431 3.979 4.816 . 0 0 "[ . 1 .]" 1
419 1 94 ALA MB 1 97 ARG QD . . 5.500 4.354 3.398 5.356 . 0 0 "[ . 1 .]" 1
420 1 5 LEU H 1 5 LEU HB2 . . 3.800 2.938 2.504 3.867 0.067 1 0 "[ . 1 .]" 1
421 1 61 LYS QE 1 61 LYS HG2 . . 2.900 3.206 2.917 3.423 0.523 14 2 "[ . - 1 +.]" 1
422 1 61 LYS QE 1 61 LYS HG3 . . 3.860 2.423 1.901 3.528 . 0 0 "[ . 1 .]" 1
423 1 58 VAL QG 1 61 LYS QE . . 4.610 3.386 2.994 3.717 . 0 0 "[ . 1 .]" 1
424 1 99 LYS HA 1 99 LYS QE . . 5.450 4.279 3.763 4.822 . 0 0 "[ . 1 .]" 1
425 1 57 SER QB 1 61 LYS QE . . 4.760 3.799 1.831 4.866 0.106 1 0 "[ . 1 .]" 1
426 1 61 LYS QE 1 62 LEU QD . . 5.040 4.040 3.247 5.045 0.005 6 0 "[ . 1 .]" 1
427 1 99 LYS QB 1 99 LYS QE . . 4.140 3.615 3.500 3.781 . 0 0 "[ . 1 .]" 1
428 1 23 PHE QE 1 27 LYS QE . . 4.810 4.090 3.120 4.672 . 0 0 "[ . 1 .]" 1
429 1 27 LYS QE 1 28 VAL HA . . 4.770 4.365 3.754 4.723 . 0 0 "[ . 1 .]" 1
430 1 20 SER HB3 1 27 LYS QE . . 4.430 2.971 2.156 4.727 0.297 13 0 "[ . 1 .]" 1
431 1 74 SER QB 1 85 PHE HB3 . . 5.390 3.518 3.017 3.748 . 0 0 "[ . 1 .]" 1
432 1 68 ASP HB3 1 69 ILE MD . . 4.260 2.708 2.370 4.346 0.086 9 0 "[ . 1 .]" 1
433 1 68 ASP HB2 1 69 ILE H . . 4.070 4.000 3.466 4.140 0.070 12 0 "[ . 1 .]" 1
434 1 68 ASP H 1 68 ASP HB2 . . 3.790 2.194 2.032 2.361 . 0 0 "[ . 1 .]" 1
435 1 68 ASP HB2 1 69 ILE MD . . 4.090 4.064 3.683 4.194 0.104 9 0 "[ . 1 .]" 1
436 1 23 PHE HB3 1 26 SER HB3 . . 4.990 4.656 3.706 5.068 0.078 14 0 "[ . 1 .]" 1
437 1 23 PHE HB2 1 26 SER HB3 . . 4.840 4.539 3.656 5.285 0.445 10 0 "[ . 1 .]" 1
438 1 23 PHE HB3 1 26 SER HB2 . . 5.140 4.104 3.151 5.206 0.066 5 0 "[ . 1 .]" 1
439 1 23 PHE HB3 1 27 LYS HB3 . . 4.660 4.650 4.250 4.967 0.307 2 0 "[ . 1 .]" 1
440 1 23 PHE HB3 1 27 LYS HB2 . . 4.900 3.781 3.600 3.904 . 0 0 "[ . 1 .]" 1
441 1 95 THR HA 1 98 LEU HB3 . . 5.430 4.064 3.593 4.435 . 0 0 "[ . 1 .]" 1
442 1 115 PHE H 1 115 PHE HB3 . . 3.800 3.263 2.411 3.876 0.076 4 0 "[ . 1 .]" 1
443 1 58 VAL QG 1 101 PHE HB2 . . 4.430 4.118 2.900 4.456 0.026 11 0 "[ . 1 .]" 1
444 1 114 PRO HG2 1 115 PHE HB2 . . 4.640 4.940 4.500 5.593 0.953 14 4 "[* -* 1 +.]" 1
445 1 58 VAL QG 1 101 PHE HB3 . . 4.310 3.321 2.316 3.900 . 0 0 "[ . 1 .]" 1
446 1 101 PHE HB3 1 102 GLY H . . 4.130 3.279 2.259 4.117 . 0 0 "[ . 1 .]" 1
447 1 98 LEU MD1 1 101 PHE HB2 . . 4.330 3.186 2.416 4.349 0.019 13 0 "[ . 1 .]" 1
448 1 98 LEU HB3 1 101 PHE HB2 . . 5.430 4.590 3.596 5.253 . 0 0 "[ . 1 .]" 1
449 1 113 ASN H 1 113 ASN HB2 . . 4.090 3.878 3.708 4.088 . 0 0 "[ . 1 .]" 1
450 1 113 ASN H 1 113 ASN HB3 . . 4.020 3.896 3.067 4.134 0.114 8 0 "[ . 1 .]" 1
451 1 109 PHE H 1 109 PHE QB . . 3.830 2.741 1.927 3.311 . 0 0 "[ . 1 .]" 1
452 1 92 PHE QB 1 109 PHE QB . . 2.470 2.225 1.910 2.487 0.017 3 0 "[ . 1 .]" 1
453 1 92 PHE HA 1 109 PHE QB . . 3.110 2.678 2.213 3.125 0.015 1 0 "[ . 1 .]" 1
454 1 111 ASN HB2 1 112 TYR H . . 4.780 4.135 3.239 4.549 . 0 0 "[ . 1 .]" 1
455 1 31 ILE H 1 31 ILE HB . . 3.970 2.438 2.085 2.685 . 0 0 "[ . 1 .]" 1
456 1 31 ILE HB 1 32 PRO HD2 . . 5.480 4.941 4.798 5.044 . 0 0 "[ . 1 .]" 1
457 1 87 ASN HB2 1 88 ARG QB . . 4.690 3.996 3.788 4.214 . 0 0 "[ . 1 .]" 1
458 1 87 ASN H 1 87 ASN HB2 . . 3.780 2.379 2.207 2.510 . 0 0 "[ . 1 .]" 1
459 1 111 ASN HB3 1 112 TYR QD . . 4.640 3.393 2.361 5.002 0.362 5 0 "[ . 1 .]" 1
460 1 110 SER QB 1 111 ASN HB2 . . 4.730 4.389 3.814 5.337 0.607 5 1 "[ + 1 .]" 1
461 1 17 TYR HA 1 31 ILE HB . . 4.770 3.682 3.405 4.205 . 0 0 "[ . 1 .]" 1
462 1 16 ASN QB 1 31 ILE HB . . 4.600 3.227 2.059 3.705 . 0 0 "[ . 1 .]" 1
463 1 87 ASN HB3 1 89 GLN H . . 4.450 4.392 3.402 4.545 0.095 1 0 "[ . 1 .]" 1
464 1 87 ASN HB3 1 87 ASN HD21 . . 3.630 3.458 3.223 3.651 0.021 2 0 "[ . 1 .]" 1
465 1 92 PHE QB 1 93 ALA MB . . 5.280 4.020 3.653 4.641 . 0 0 "[ . 1 .]" 1
466 1 87 ASN HB2 1 90 ASP HA . . 5.250 5.248 4.794 5.332 0.082 14 0 "[ . 1 .]" 1
467 1 92 PHE QB 1 109 PHE QD . . 2.790 2.501 2.108 2.826 0.036 10 0 "[ . 1 .]" 1
468 1 105 ILE H 1 105 ILE HB . . 3.750 3.379 2.335 3.842 0.092 4 0 "[ . 1 .]" 1
469 1 34 ASN H 1 34 ASN HB2 . . 4.210 2.661 2.348 3.037 . 0 0 "[ . 1 .]" 1
470 1 66 LEU HA 1 69 ILE HB . . 4.460 3.505 2.883 3.882 . 0 0 "[ . 1 .]" 1
471 1 69 ILE HB 1 69 ILE MD . . 3.230 3.212 2.226 3.290 0.060 10 0 "[ . 1 .]" 1
472 1 69 ILE HB 1 71 VAL H . . 4.780 3.492 3.097 3.734 . 0 0 "[ . 1 .]" 1
473 1 69 ILE H 1 70 GLU QG . . 4.680 4.680 4.511 4.780 0.100 13 0 "[ . 1 .]" 1
474 1 69 ILE HA 1 70 GLU QG . . 4.520 4.326 3.616 4.595 0.075 5 0 "[ . 1 .]" 1
475 1 70 GLU QG 1 71 VAL H . . 4.110 3.421 2.776 4.218 0.108 9 0 "[ . 1 .]" 1
476 1 20 SER HB2 1 27 LYS HB3 . . 4.760 4.137 3.878 4.459 . 0 0 "[ . 1 .]" 1
477 1 23 PHE HB2 1 27 LYS HB3 . . 4.360 3.027 2.538 3.374 . 0 0 "[ . 1 .]" 1
478 1 20 SER H 1 27 LYS HB3 . . 5.220 3.039 2.696 3.493 . 0 0 "[ . 1 .]" 1
479 1 20 SER HB2 1 27 LYS HB2 . . 4.790 4.793 4.485 4.865 0.075 5 0 "[ . 1 .]" 1
480 1 107 GLU QG 1 108 PRO QD . . 4.520 3.612 2.692 4.237 . 0 0 "[ . 1 .]" 1
481 1 107 GLU HA 1 107 GLU QG . . 3.620 2.848 2.163 3.506 . 0 0 "[ . 1 .]" 1
482 1 28 VAL HB 1 29 GLU H . . 3.960 2.879 2.358 3.184 . 0 0 "[ . 1 .]" 1
483 1 17 TYR QD 1 28 VAL HB . . 4.350 2.339 2.077 2.664 . 0 0 "[ . 1 .]" 1
484 1 91 GLU QG 1 93 ALA H . . 5.500 4.924 3.750 5.598 0.098 7 0 "[ . 1 .]" 1
485 1 28 VAL HB 1 42 LEU QD . . 5.460 4.481 3.671 4.849 . 0 0 "[ . 1 .]" 1
486 1 86 VAL HB 1 87 ASN H . . 3.860 2.360 2.137 2.672 . 0 0 "[ . 1 .]" 1
487 1 86 VAL HB 1 90 ASP HB3 . . 4.250 2.741 1.989 3.415 . 0 0 "[ . 1 .]" 1
488 1 86 VAL HB 1 90 ASP HA . . 4.980 4.795 4.396 5.026 0.046 7 0 "[ . 1 .]" 1
489 1 91 GLU QG 1 95 THR MG . . 5.500 4.041 3.056 5.479 . 0 0 "[ . 1 .]" 1
490 1 43 VAL HB 1 88 ARG HA . . 4.710 4.603 4.262 4.798 0.088 1 0 "[ . 1 .]" 1
491 1 43 VAL H 1 43 VAL HB . . 3.890 3.850 3.811 3.917 0.027 14 0 "[ . 1 .]" 1
492 1 18 ARG HB2 1 42 LEU QD . . 5.500 3.699 2.107 4.417 . 0 0 "[ . 1 .]" 1
493 1 33 GLN HA 1 33 GLN QG . . 3.420 2.828 2.351 3.508 0.088 12 0 "[ . 1 .]" 1
494 1 89 GLN H 1 89 GLN HG2 . . 3.890 2.213 1.950 2.522 . 0 0 "[ . 1 .]" 1
495 1 89 GLN HA 1 89 GLN HG2 . . 3.800 3.739 3.682 3.833 0.033 1 0 "[ . 1 .]" 1
496 1 89 GLN HG2 1 90 ASP H . . 4.370 2.762 2.665 2.918 . 0 0 "[ . 1 .]" 1
497 1 89 GLN HG3 1 90 ASP H . . 4.230 4.265 3.696 4.322 0.092 3 0 "[ . 1 .]" 1
498 1 33 GLN QG 1 34 ASN HA . . 4.760 4.540 3.905 4.845 0.085 2 0 "[ . 1 .]" 1
499 1 33 GLN H 1 33 GLN QG . . 3.950 3.876 3.318 4.046 0.096 13 0 "[ . 1 .]" 1
500 1 74 SER HA 1 75 VAL HB . . 5.000 4.576 4.279 5.095 0.095 2 0 "[ . 1 .]" 1
501 1 108 PRO HB2 1 109 PHE QD . . 4.780 4.171 2.830 4.894 0.114 13 0 "[ . 1 .]" 1
502 1 99 LYS QB 1 99 LYS QD . . 3.120 2.165 2.093 2.277 . 0 0 "[ . 1 .]" 1
503 1 32 PRO HB2 1 33 GLN H . . 4.490 4.306 4.182 4.395 . 0 0 "[ . 1 .]" 1
504 1 114 PRO HB2 1 115 PHE QD . . 5.320 4.987 4.067 5.423 0.103 15 0 "[ . 1 .]" 1
505 1 112 TYR QE 1 114 PRO HB3 . . 4.390 3.673 2.282 4.475 0.085 15 0 "[ . 1 .]" 1
506 1 63 SER QB 1 73 CYS QB . . 4.510 2.750 1.963 4.125 . 0 0 "[ . 1 .]" 1
507 1 19 TRP HB2 1 21 ALA H . . 5.050 2.652 2.324 3.042 . 0 0 "[ . 1 .]" 1
508 1 19 TRP HB3 1 27 LYS HG2 . . 5.500 4.923 4.233 5.365 . 0 0 "[ . 1 .]" 1
509 1 15 GLN QB 1 17 TYR QE . . 5.430 5.113 4.281 5.542 0.112 6 0 "[ . 1 .]" 1
510 1 66 LEU QD 1 97 ARG HB2 . . 4.290 3.583 3.068 4.045 . 0 0 "[ . 1 .]" 1
511 1 43 VAL QG 1 88 ARG QB . . 3.920 3.393 3.161 3.510 . 0 0 "[ . 1 .]" 1
512 1 99 LYS H 1 99 LYS QD . . 4.260 3.142 2.594 3.626 . 0 0 "[ . 1 .]" 1
513 1 99 LYS HA 1 99 LYS QD . . 3.970 3.679 2.834 4.028 0.058 9 0 "[ . 1 .]" 1
514 1 95 THR HA 1 99 LYS QD . . 5.050 3.926 3.064 4.600 . 0 0 "[ . 1 .]" 1
515 1 107 GLU QB 1 108 PRO QD . . 2.520 2.348 2.127 2.518 . 0 0 "[ . 1 .]" 1
516 1 97 ARG HB2 1 97 ARG HE . . 4.440 4.264 3.408 4.567 0.127 7 0 "[ . 1 .]" 1
517 1 61 LYS HA 1 61 LYS QD . . 4.250 3.805 3.138 4.222 . 0 0 "[ . 1 .]" 1
518 1 58 VAL HA 1 61 LYS QD . . 4.400 4.060 2.530 4.502 0.102 5 0 "[ . 1 .]" 1
519 1 61 LYS QD 1 61 LYS HG2 . . 2.400 2.196 2.116 2.391 . 0 0 "[ . 1 .]" 1
520 1 58 VAL QG 1 61 LYS QD . . 5.230 4.402 3.147 4.878 . 0 0 "[ . 1 .]" 1
521 1 27 LYS HA 1 27 LYS QD . . 3.380 2.221 2.061 3.234 . 0 0 "[ . 1 .]" 1
522 1 22 GLY HA3 1 27 LYS QD . . 5.000 4.801 4.485 4.913 . 0 0 "[ . 1 .]" 1
523 1 31 ILE H 1 31 ILE HG12 . . 5.480 4.077 3.618 4.319 . 0 0 "[ . 1 .]" 1
524 1 17 TYR HA 1 31 ILE HG13 . . 5.230 2.167 2.036 2.436 . 0 0 "[ . 1 .]" 1
525 1 18 ARG HD3 1 31 ILE HG13 . . 5.480 4.604 3.562 6.212 0.732 6 1 "[ .+ 1 .]" 1
526 1 30 PRO HA 1 31 ILE HG13 . . 4.990 3.808 3.485 4.220 . 0 0 "[ . 1 .]" 1
527 1 66 LEU HA 1 69 ILE QG . . 4.950 2.333 2.091 2.699 . 0 0 "[ . 1 .]" 1
528 1 68 ASP H 1 69 ILE QG . . 4.890 3.870 3.436 4.075 . 0 0 "[ . 1 .]" 1
529 1 76 LEU HG 1 85 PHE QE . . 5.500 3.415 2.405 4.793 . 0 0 "[ . 1 .]" 1
530 1 72 PRO HG2 1 87 ASN HD22 . . 4.740 1.963 1.806 2.240 . 0 0 "[ . 1 .]" 1
531 1 32 PRO QG 1 33 GLN H . . 5.220 4.622 4.476 4.704 . 0 0 "[ . 1 .]" 1
532 1 29 GLU HA 1 30 PRO HG3 . . 5.060 4.578 4.485 4.672 . 0 0 "[ . 1 .]" 1
533 1 74 SER QB 1 76 LEU HG . . 5.110 3.740 2.288 4.998 . 0 0 "[ . 1 .]" 1
534 1 76 LEU H 1 76 LEU HG . . 4.090 3.425 2.836 4.160 0.070 8 0 "[ . 1 .]" 1
535 1 105 ILE HG13 1 106 ALA H . . 5.110 4.832 3.706 5.308 0.198 15 0 "[ . 1 .]" 1
536 1 3 THR HB 1 4 SER H . . 4.350 3.721 2.050 4.334 . 0 0 "[ . 1 .]" 1
537 1 108 PRO HG3 1 109 PHE H . . 5.240 5.178 4.838 5.515 0.275 13 0 "[ . 1 .]" 1
538 1 7 LEU HA 1 7 LEU HG . . 4.230 3.870 2.002 4.241 0.011 13 0 "[ . 1 .]" 1
539 1 4 SER QB 1 5 LEU HG . . 4.600 4.446 3.755 4.682 0.082 2 0 "[ . 1 .]" 1
540 1 73 CYS QB 1 84 LEU HG . . 5.130 4.217 3.225 5.018 . 0 0 "[ . 1 .]" 1
541 1 98 LEU H 1 98 LEU HG . . 3.940 3.779 3.035 4.005 0.065 15 0 "[ . 1 .]" 1
542 1 88 ARG QG 1 89 GLN HA . . 5.020 3.888 3.492 5.112 0.092 4 0 "[ . 1 .]" 1
543 1 7 LEU H 1 7 LEU HG . . 4.110 4.147 3.901 4.210 0.100 1 0 "[ . 1 .]" 1
544 1 42 LEU H 1 42 LEU HG . . 3.970 3.153 2.721 4.079 0.109 5 0 "[ . 1 .]" 1
545 1 96 CYS HB2 1 99 LYS QD . . 5.500 4.955 4.282 5.453 . 0 0 "[ . 1 .]" 1
546 1 93 ALA MB 1 96 CYS HB2 . . 5.240 4.859 4.573 4.998 . 0 0 "[ . 1 .]" 1
547 1 96 CYS H 1 96 CYS HB2 . . 3.620 2.363 2.281 2.441 . 0 0 "[ . 1 .]" 1
548 1 96 CYS HB2 1 97 ARG H . . 4.030 3.726 3.559 3.934 . 0 0 "[ . 1 .]" 1
549 1 96 CYS HB2 1 109 PHE QD . . 5.370 3.668 2.631 4.385 . 0 0 "[ . 1 .]" 1
550 1 18 ARG HB2 1 42 LEU HG . . 4.650 4.307 3.755 5.185 0.535 11 1 "[ . 1+ .]" 1
551 1 95 THR H 1 96 CYS HB2 . . 5.170 4.977 4.824 5.196 0.026 12 0 "[ . 1 .]" 1
552 1 66 LEU QD 1 94 ALA MB . . 3.970 3.096 2.301 3.720 . 0 0 "[ . 1 .]" 1
553 1 66 LEU QD 1 67 SER H . . 4.510 4.083 3.880 4.204 . 0 0 "[ . 1 .]" 1
554 1 26 SER HB3 1 76 LEU QD . . 4.260 3.669 3.325 4.183 . 0 0 "[ . 1 .]" 1
555 1 84 LEU HA 1 84 LEU QD . . 3.950 2.190 1.983 2.499 . 0 0 "[ . 1 .]" 1
556 1 95 THR HB 1 96 CYS H . . 4.170 4.112 3.985 4.237 0.067 1 0 "[ . 1 .]" 1
557 1 95 THR HB 1 105 ILE MD . . 4.480 3.626 2.499 4.347 . 0 0 "[ . 1 .]" 1
558 1 60 TYR HB3 1 61 LYS HG3 . . 5.130 3.785 3.082 4.523 . 0 0 "[ . 1 .]" 1
559 1 99 LYS H 1 99 LYS HG3 . . 5.430 3.144 2.516 4.029 . 0 0 "[ . 1 .]" 1
560 1 27 LYS H 1 76 LEU QD . . 5.160 4.140 3.553 4.691 . 0 0 "[ . 1 .]" 1
561 1 94 ALA MB 1 95 THR HB . . 5.050 4.073 3.875 4.405 . 0 0 "[ . 1 .]" 1
562 1 58 VAL HA 1 61 LYS HG2 . . 5.260 4.875 4.096 5.697 0.437 11 0 "[ . 1 .]" 1
563 1 99 LYS H 1 99 LYS HG2 . . 4.870 4.177 3.800 4.553 . 0 0 "[ . 1 .]" 1
564 1 99 LYS HG3 1 105 ILE MG . . 5.330 5.077 4.450 5.408 0.078 4 0 "[ . 1 .]" 1
565 1 61 LYS H 1 61 LYS HG3 . . 4.480 2.397 2.087 2.790 . 0 0 "[ . 1 .]" 1
566 1 7 LEU HA 1 7 LEU QD . . 3.360 2.870 1.878 3.227 . 0 0 "[ . 1 .]" 1
567 1 62 LEU QD 1 101 PHE HB2 . . 4.630 3.559 2.738 4.178 . 0 0 "[ . 1 .]" 1
568 1 7 LEU QB 1 7 LEU QD . . 2.760 2.033 1.805 2.087 . 0 0 "[ . 1 .]" 1
569 1 20 SER HB2 1 27 LYS HG3 . . 4.940 2.141 2.009 2.333 . 0 0 "[ . 1 .]" 1
570 1 20 SER HB2 1 27 LYS HG2 . . 5.220 2.624 2.177 2.871 . 0 0 "[ . 1 .]" 1
571 1 27 LYS HG3 1 28 VAL H . . 4.390 2.806 2.447 3.216 . 0 0 "[ . 1 .]" 1
572 1 27 LYS HA 1 27 LYS HG3 . . 4.040 2.982 2.824 3.109 . 0 0 "[ . 1 .]" 1
573 1 23 PHE QD 1 27 LYS HG3 . . 5.080 3.756 3.625 3.991 . 0 0 "[ . 1 .]" 1
574 1 75 VAL HB 1 76 LEU QD . . 4.530 4.509 4.368 4.574 0.044 2 0 "[ . 1 .]" 1
575 1 76 LEU HA 1 76 LEU QD . . 3.450 2.429 2.092 3.209 . 0 0 "[ . 1 .]" 1
576 1 74 SER QB 1 76 LEU QD . . 4.890 3.051 2.076 3.975 . 0 0 "[ . 1 .]" 1
577 1 18 ARG HA 1 42 LEU QD . . 4.380 2.133 1.930 2.269 . 0 0 "[ . 1 .]" 1
578 1 18 ARG H 1 42 LEU QD . . 5.280 3.856 3.503 4.159 . 0 0 "[ . 1 .]" 1
579 1 95 THR HA 1 105 ILE MD . . 3.650 2.531 1.924 3.173 . 0 0 "[ . 1 .]" 1
580 1 28 VAL QG 1 42 LEU QD . . 4.400 3.226 2.718 3.574 . 0 0 "[ . 1 .]" 1
581 1 42 LEU QD 1 85 PHE QD . . 4.680 4.213 3.820 4.442 . 0 0 "[ . 1 .]" 1
582 1 28 VAL HA 1 42 LEU QD . . 5.080 4.225 3.959 4.685 . 0 0 "[ . 1 .]" 1
583 1 95 THR HA 1 98 LEU H . . 4.350 3.445 3.325 3.642 . 0 0 "[ . 1 .]" 1
584 1 74 SER QB 1 85 PHE HB2 . . 5.430 2.055 1.946 2.242 . 0 0 "[ . 1 .]" 1
585 1 58 VAL HA 1 61 LYS HB2 . . 4.050 2.882 2.395 3.473 . 0 0 "[ . 1 .]" 1
586 1 58 VAL HA 1 61 LYS QE . . 4.840 3.033 2.406 3.933 . 0 0 "[ . 1 .]" 1
587 1 45 LEU QD 1 85 PHE HA . . 3.990 3.866 3.539 4.041 0.051 2 0 "[ . 1 .]" 1
588 1 45 LEU H 1 45 LEU QD . . 4.230 2.688 2.448 3.144 . 0 0 "[ . 1 .]" 1
589 1 66 LEU H 1 66 LEU QD . . 3.880 2.983 2.234 3.550 . 0 0 "[ . 1 .]" 1
590 1 66 LEU QD 1 97 ARG QD . . 4.250 2.188 1.732 3.345 . 0 0 "[ . 1 .]" 1
591 1 98 LEU HB3 1 98 LEU MD2 . . 3.480 3.253 3.035 3.287 . 0 0 "[ . 1 .]" 1
592 1 97 ARG QG 1 98 LEU MD2 . . 4.340 3.290 2.220 4.450 0.110 10 0 "[ . 1 .]" 1
593 1 98 LEU MD2 1 101 PHE QD . . 4.700 4.236 3.310 4.746 0.046 7 0 "[ . 1 .]" 1
594 1 26 SER H 1 26 SER HB3 . . 4.010 3.527 2.774 3.921 . 0 0 "[ . 1 .]" 1
595 1 26 SER H 1 26 SER HB2 . . 3.880 2.967 2.560 3.882 0.002 1 0 "[ . 1 .]" 1
596 1 103 VAL H 1 103 VAL MG2 . . 3.650 2.157 1.981 2.650 . 0 0 "[ . 1 .]" 1
597 1 43 VAL H 1 44 ALA MB . . 5.420 4.832 4.612 5.143 . 0 0 "[ . 1 .]" 1
598 1 57 SER QB 1 58 VAL QG . . 4.710 3.128 2.446 3.891 . 0 0 "[ . 1 .]" 1
599 1 42 LEU QD 1 87 ASN H . . 5.440 3.902 3.710 4.057 . 0 0 "[ . 1 .]" 1
600 1 42 LEU QD 1 85 PHE HB3 . . 4.480 3.443 3.025 3.756 . 0 0 "[ . 1 .]" 1
601 1 42 LEU HA 1 42 LEU QD . . 3.580 2.093 1.881 2.202 . 0 0 "[ . 1 .]" 1
602 1 42 LEU QD 1 87 ASN HA . . 3.480 1.943 1.886 2.025 . 0 0 "[ . 1 .]" 1
603 1 19 TRP HH2 1 42 LEU QD . . 5.240 2.887 2.394 3.224 . 0 0 "[ . 1 .]" 1
604 1 31 ILE MD 1 41 SER HB3 . . 5.040 4.016 3.264 5.073 0.033 8 0 "[ . 1 .]" 1
605 1 8 SER HB3 1 10 VAL QG . . 5.040 4.220 2.234 5.321 0.281 11 0 "[ . 1 .]" 1
606 1 40 ASN H 1 41 SER HB2 . . 5.260 4.454 3.187 5.782 0.522 14 1 "[ . 1 +.]" 1
607 1 49 SER QB 1 50 PRO HB3 . . 5.420 3.951 3.486 4.322 . 0 0 "[ . 1 .]" 1
608 1 8 SER HB2 1 9 ILE H . . 5.240 4.089 3.075 4.576 . 0 0 "[ . 1 .]" 1
609 1 103 VAL MG1 1 104 ALA H . . 3.770 3.542 1.855 4.601 0.831 15 1 "[ . 1 +]" 1
610 1 9 ILE HA 1 10 VAL QG . . 3.990 3.324 2.830 3.916 . 0 0 "[ . 1 .]" 1
611 1 62 LEU QD 1 63 SER H . . 4.360 4.088 4.054 4.146 . 0 0 "[ . 1 .]" 1
612 1 98 LEU MD1 1 101 PHE QD . . 4.950 3.903 3.098 5.056 0.106 13 0 "[ . 1 .]" 1
613 1 74 SER H 1 86 VAL MG1 . . 4.750 3.731 3.091 4.455 . 0 0 "[ . 1 .]" 1
614 1 28 VAL QG 1 29 GLU H . . 4.620 3.434 3.166 3.582 . 0 0 "[ . 1 .]" 1
615 1 17 TYR HB2 1 28 VAL QG . . 5.070 4.472 4.042 4.711 . 0 0 "[ . 1 .]" 1
616 1 48 LEU QD 1 49 SER QB . . 3.900 3.097 2.246 3.726 . 0 0 "[ . 1 .]" 1
617 1 71 VAL MG1 1 90 ASP HA . . 4.590 3.108 2.087 4.058 . 0 0 "[ . 1 .]" 1
618 1 71 VAL H 1 71 VAL MG1 . . 3.980 3.891 3.837 3.960 . 0 0 "[ . 1 .]" 1
619 1 71 VAL MG1 1 87 ASN HD22 . . 5.500 4.583 3.405 5.374 . 0 0 "[ . 1 .]" 1
620 1 71 VAL MG1 1 94 ALA MB . . 4.070 3.725 2.973 4.192 0.122 13 0 "[ . 1 .]" 1
621 1 73 CYS QB 1 86 VAL MG1 . . 3.510 2.605 1.983 3.009 . 0 0 "[ . 1 .]" 1
622 1 86 VAL MG1 1 87 ASN H . . 4.270 3.194 2.931 3.594 . 0 0 "[ . 1 .]" 1
623 1 14 PRO HA 1 15 GLN QB . . 4.640 4.171 3.642 4.696 0.056 7 0 "[ . 1 .]" 1
624 1 71 VAL HA 1 71 VAL MG1 . . 3.670 2.341 2.227 2.454 . 0 0 "[ . 1 .]" 1
625 1 71 VAL MG1 1 90 ASP HB2 . . 3.930 3.334 2.240 4.023 0.093 1 0 "[ . 1 .]" 1
626 1 86 VAL MG1 1 90 ASP HA . . 4.370 4.388 4.162 4.487 0.117 4 0 "[ . 1 .]" 1
627 1 74 SER QB 1 75 VAL QG . . 5.500 4.288 3.850 4.658 . 0 0 "[ . 1 .]" 1
628 1 95 THR MG 1 96 CYS HA . . 4.810 3.577 3.187 3.880 . 0 0 "[ . 1 .]" 1
629 1 95 THR H 1 95 THR MG . . 3.690 2.191 2.030 2.355 . 0 0 "[ . 1 .]" 1
630 1 95 THR MG 1 99 LYS QE . . 4.180 3.634 2.543 4.122 . 0 0 "[ . 1 .]" 1
631 1 95 THR HA 1 95 THR MG . . 3.260 3.261 3.224 3.295 0.035 5 0 "[ . 1 .]" 1
632 1 71 VAL MG1 1 94 ALA H . . 5.430 4.562 3.555 5.118 . 0 0 "[ . 1 .]" 1
633 1 43 VAL QG 1 88 ARG QG . . 3.530 3.302 2.246 3.464 . 0 0 "[ . 1 .]" 1
634 1 43 VAL QG 1 88 ARG H . . 4.820 3.668 3.183 3.838 . 0 0 "[ . 1 .]" 1
635 1 75 VAL QG 1 84 LEU HG . . 4.130 3.003 2.160 3.813 . 0 0 "[ . 1 .]" 1
636 1 110 SER QB 1 111 ASN H . . 3.900 2.414 1.736 3.118 . 0 0 "[ . 1 .]" 1
637 1 94 ALA H 1 95 THR MG . . 4.460 4.225 4.049 4.392 . 0 0 "[ . 1 .]" 1
638 1 95 THR MG 1 96 CYS HB3 . . 4.860 4.476 4.131 4.815 . 0 0 "[ . 1 .]" 1
639 1 43 VAL H 1 43 VAL QG . . 3.920 2.219 2.131 2.412 . 0 0 "[ . 1 .]" 1
640 1 20 SER H 1 20 SER HB2 . . 3.990 2.298 2.046 2.584 . 0 0 "[ . 1 .]" 1
641 1 20 SER HB3 1 27 LYS HB2 . . 5.180 4.555 4.359 4.792 . 0 0 "[ . 1 .]" 1
642 1 43 VAL QG 1 87 ASN HA . . 4.700 3.853 3.571 4.080 . 0 0 "[ . 1 .]" 1
643 1 43 VAL QG 1 44 ALA H . . 4.580 3.293 3.020 3.504 . 0 0 "[ . 1 .]" 1
644 1 20 SER HB2 1 23 PHE H . . 5.350 5.306 4.980 5.428 0.078 10 0 "[ . 1 .]" 1
645 1 20 SER HB2 1 23 PHE QD . . 4.950 4.796 3.918 4.975 0.025 4 0 "[ . 1 .]" 1
646 1 20 SER HB3 1 27 LYS HB3 . . 4.780 4.136 3.693 4.726 . 0 0 "[ . 1 .]" 1
647 1 19 TRP HA 1 20 SER HB3 . . 5.460 5.208 4.942 5.430 . 0 0 "[ . 1 .]" 1
648 1 43 VAL QG 1 88 ARG HD2 . . 4.130 2.351 1.942 3.743 . 0 0 "[ . 1 .]" 1
649 1 43 VAL QG 1 91 GLU HB3 . . 4.580 2.969 2.161 4.324 . 0 0 "[ . 1 .]" 1
650 1 4 SER QB 1 6 GLN QB . . 4.270 3.616 2.500 4.203 . 0 0 "[ . 1 .]" 1
651 1 96 CYS HA 1 99 LYS QB . . 3.600 3.071 2.631 3.676 0.076 5 0 "[ . 1 .]" 1
652 1 96 CYS HA 1 99 LYS QD . . 3.860 2.963 2.109 3.593 . 0 0 "[ . 1 .]" 1
653 1 104 ALA H 1 104 ALA MB . . 3.390 2.285 2.192 2.621 . 0 0 "[ . 1 .]" 1
654 1 103 VAL HA 1 104 ALA MB . . 4.610 4.094 3.797 4.665 0.055 15 0 "[ . 1 .]" 1
655 1 9 ILE MD 1 104 ALA MB . . 3.750 3.533 2.347 3.882 0.132 6 0 "[ . 1 .]" 1
656 1 112 TYR QE 1 114 PRO HA . . 4.080 3.346 2.450 4.135 0.055 3 0 "[ . 1 .]" 1
657 1 36 PRO HA 1 37 CYS QB . . 4.670 4.505 4.119 4.768 0.098 3 0 "[ . 1 .]" 1
658 1 106 ALA MB 1 107 GLU QG . . 4.500 3.601 2.585 4.505 0.005 12 0 "[ . 1 .]" 1
659 1 63 SER H 1 63 SER QB . . 3.730 2.459 2.179 2.994 . 0 0 "[ . 1 .]" 1
660 1 63 SER QB 1 75 VAL QG . . 3.880 2.225 1.947 2.636 . 0 0 "[ . 1 .]" 1
661 1 45 LEU HG 1 106 ALA MB . . 3.080 2.777 2.141 3.170 0.090 10 0 "[ . 1 .]" 1
662 1 31 ILE MG 1 32 PRO HA . . 4.660 4.165 3.993 4.314 . 0 0 "[ . 1 .]" 1
663 1 17 TYR HA 1 30 PRO HA . . 3.890 2.369 2.147 2.790 . 0 0 "[ . 1 .]" 1
664 1 53 ASP HA 1 55 ALA MB . . 5.460 5.190 4.888 5.495 0.035 13 0 "[ . 1 .]" 1
665 1 66 LEU HB3 1 67 SER HA . . 4.280 4.297 4.024 4.556 0.276 11 0 "[ . 1 .]" 1
666 1 67 SER HA 1 69 ILE H . . 4.690 3.713 3.476 3.996 . 0 0 "[ . 1 .]" 1
667 1 59 MET ME 1 60 TYR HA . . 4.420 4.446 4.240 4.525 0.105 12 0 "[ . 1 .]" 1
668 1 55 ALA MB 1 57 SER H . . 5.030 4.790 4.538 4.975 . 0 0 "[ . 1 .]" 1
669 1 55 ALA H 1 55 ALA MB . . 3.430 2.189 2.103 2.287 . 0 0 "[ . 1 .]" 1
670 1 60 TYR HA 1 60 TYR QE . . 5.380 4.477 4.359 4.730 . 0 0 "[ . 1 .]" 1
671 1 57 SER HA 1 61 LYS HG3 . . 4.410 3.862 3.002 4.260 . 0 0 "[ . 1 .]" 1
672 1 3 THR HA 1 4 SER H . . 3.440 2.500 2.179 3.521 0.081 14 0 "[ . 1 .]" 1
673 1 3 THR HA 1 3 THR MG . . 3.210 2.396 2.158 3.277 0.067 15 0 "[ . 1 .]" 1
674 1 59 MET HB2 1 59 MET ME . . 3.760 3.318 2.848 3.857 0.097 10 0 "[ . 1 .]" 1
675 1 59 MET ME 1 75 VAL QG . . 3.880 2.297 2.096 2.765 . 0 0 "[ . 1 .]" 1
676 1 94 ALA MB 1 97 ARG HE . . 5.500 4.815 3.766 5.621 0.121 1 0 "[ . 1 .]" 1
677 1 91 GLU HA 1 94 ALA MB . . 3.850 2.914 2.287 3.457 . 0 0 "[ . 1 .]" 1
678 1 94 ALA H 1 94 ALA MB . . 3.320 2.225 2.180 2.276 . 0 0 "[ . 1 .]" 1
679 1 90 ASP HB3 1 94 ALA MB . . 4.660 4.079 3.495 4.771 0.111 2 0 "[ . 1 .]" 1
680 1 94 ALA MB 1 98 LEU HG . . 4.310 3.886 3.167 4.405 0.095 4 0 "[ . 1 .]" 1
681 1 86 VAL MG1 1 94 ALA MB . . 3.330 3.028 2.579 3.396 0.066 6 0 "[ . 1 .]" 1
682 1 51 ASP H 1 55 ALA MB . . 5.500 4.683 3.572 5.455 . 0 0 "[ . 1 .]" 1
683 1 94 ALA MB 1 95 THR H . . 3.730 2.515 2.242 2.754 . 0 0 "[ . 1 .]" 1
684 1 94 ALA MB 1 96 CYS H . . 5.000 4.562 4.423 4.697 . 0 0 "[ . 1 .]" 1
685 1 75 VAL HA 1 85 PHE H . . 4.890 3.977 3.734 4.203 . 0 0 "[ . 1 .]" 1
686 1 56 TRP HA 1 57 SER HA . . 4.810 4.760 4.618 4.877 0.067 11 0 "[ . 1 .]" 1
687 1 57 SER HA 1 60 TYR H . . 4.130 3.684 3.362 4.167 0.037 6 0 "[ . 1 .]" 1
688 1 55 ALA MB 1 56 TRP HA . . 5.380 4.046 3.921 4.192 . 0 0 "[ . 1 .]" 1
689 1 56 TRP HA 1 56 TRP HD1 . . 4.810 4.408 4.009 4.872 0.062 6 0 "[ . 1 .]" 1
690 1 56 TRP HA 1 56 TRP HZ3 . . 5.050 4.709 4.441 5.122 0.072 9 0 "[ . 1 .]" 1
691 1 56 TRP HA 1 75 VAL QG . . 4.910 4.692 4.349 4.914 0.004 8 0 "[ . 1 .]" 1
692 1 86 VAL MG1 1 91 GLU HA . . 4.030 3.329 2.714 4.069 0.039 7 0 "[ . 1 .]" 1
693 1 91 GLU HA 1 95 THR H . . 4.520 3.993 3.558 4.332 . 0 0 "[ . 1 .]" 1
694 1 91 GLU HA 1 95 THR MG . . 5.150 4.433 4.116 4.739 . 0 0 "[ . 1 .]" 1
695 1 86 VAL MG2 1 91 GLU HA . . 3.800 2.609 2.172 3.130 . 0 0 "[ . 1 .]" 1
696 1 93 ALA MB 1 96 CYS H . . 5.220 4.734 4.593 4.880 . 0 0 "[ . 1 .]" 1
697 1 92 PHE HA 1 93 ALA MB . . 5.500 5.027 4.936 5.083 . 0 0 "[ . 1 .]" 1
698 1 93 ALA MB 1 97 ARG QD . . 5.500 4.021 2.605 4.964 . 0 0 "[ . 1 .]" 1
699 1 86 VAL MG2 1 91 GLU H . . 4.940 3.519 2.899 3.899 . 0 0 "[ . 1 .]" 1
700 1 27 LYS HA 1 28 VAL QG . . 3.960 3.444 3.259 3.598 . 0 0 "[ . 1 .]" 1
701 1 93 ALA MB 1 97 ARG QG . . 3.700 3.741 3.563 3.817 0.117 1 0 "[ . 1 .]" 1
702 1 93 ALA H 1 93 ALA MB . . 3.030 2.280 2.147 2.390 . 0 0 "[ . 1 .]" 1
703 1 90 ASP HA 1 93 ALA MB . . 3.880 2.299 2.016 2.627 . 0 0 "[ . 1 .]" 1
704 1 21 ALA H 1 21 ALA MB . . 3.140 2.703 2.626 2.778 . 0 0 "[ . 1 .]" 1
705 1 21 ALA MB 1 22 GLY HA3 . . 4.930 4.747 4.623 4.899 . 0 0 "[ . 1 .]" 1
706 1 86 VAL MG2 1 90 ASP H . . 5.420 5.084 4.175 5.421 0.001 2 0 "[ . 1 .]" 1
707 1 86 VAL MG2 1 90 ASP HA . . 5.500 5.339 4.706 5.597 0.097 9 0 "[ . 1 .]" 1
708 1 86 VAL MG2 1 88 ARG HA . . 4.890 4.735 3.707 4.981 0.091 10 0 "[ . 1 .]" 1
709 1 86 VAL MG2 1 90 ASP HB3 . . 4.580 3.937 3.228 4.578 . 0 0 "[ . 1 .]" 1
710 1 43 VAL HB 1 86 VAL MG2 . . 3.900 3.921 3.760 4.005 0.105 4 0 "[ . 1 .]" 1
711 1 86 VAL MG2 1 94 ALA MB . . 4.000 3.963 3.670 4.125 0.125 6 0 "[ . 1 .]" 1
712 1 86 VAL MG2 1 87 ASN H . . 4.600 3.798 3.224 4.094 . 0 0 "[ . 1 .]" 1
713 1 28 VAL H 1 28 VAL QG . . 3.810 2.265 2.011 2.502 . 0 0 "[ . 1 .]" 1
714 1 28 VAL QG 1 76 LEU QD . . 4.320 3.646 3.122 3.970 . 0 0 "[ . 1 .]" 1
715 1 63 SER HA 1 66 LEU HB3 . . 4.280 4.132 2.623 4.786 0.506 9 1 "[ . +1 .]" 1
716 1 93 ALA MB 1 96 CYS HB3 . . 5.150 4.255 3.929 4.550 . 0 0 "[ . 1 .]" 1
717 1 9 ILE MG 1 107 GLU H . . 4.860 4.343 2.819 4.975 0.115 15 0 "[ . 1 .]" 1
718 1 86 VAL MG2 1 90 ASP HB2 . . 5.340 4.082 3.405 5.363 0.023 2 0 "[ . 1 .]" 1
719 1 9 ILE MG 1 10 VAL H . . 3.880 2.523 1.671 3.493 . 0 0 "[ . 1 .]" 1
720 1 63 SER HA 1 66 LEU HB2 . . 4.730 2.777 2.229 3.742 . 0 0 "[ . 1 .]" 1
721 1 69 ILE MG 1 70 GLU H . . 4.720 3.316 2.996 3.693 . 0 0 "[ . 1 .]" 1
722 1 9 ILE MG 1 49 SER H . . 4.860 4.464 2.814 4.954 0.094 14 0 "[ . 1 .]" 1
723 1 9 ILE MG 1 48 LEU HA . . 4.760 4.268 2.339 4.861 0.101 5 0 "[ . 1 .]" 1
724 1 88 ARG HA 1 89 GLN HA . . 4.980 4.648 4.517 4.774 . 0 0 "[ . 1 .]" 1
725 1 88 ARG HA 1 90 ASP H . . 4.420 4.290 4.066 4.487 0.067 4 0 "[ . 1 .]" 1
726 1 88 ARG HA 1 88 ARG QG . . 3.400 2.630 2.182 2.871 . 0 0 "[ . 1 .]" 1
727 1 88 ARG HA 1 88 ARG HD2 . . 4.220 2.708 2.059 4.498 0.278 4 0 "[ . 1 .]" 1
728 1 105 ILE MG 1 106 ALA H . . 3.990 2.939 1.721 3.976 . 0 0 "[ . 1 .]" 1
729 1 105 ILE HG13 1 105 ILE MG . . 3.500 2.529 2.258 3.230 . 0 0 "[ . 1 .]" 1
730 1 19 TRP HB2 1 24 ALA MB . . 4.490 4.072 3.471 4.554 0.064 2 0 "[ . 1 .]" 1
731 1 24 ALA MB 1 25 GLY HA3 . . 4.440 4.198 3.913 4.526 0.086 5 0 "[ . 1 .]" 1
732 1 31 ILE MG 1 34 ASN HB2 . . 5.010 2.218 2.006 2.781 . 0 0 "[ . 1 .]" 1
733 1 16 ASN QB 1 31 ILE MG . . 4.950 3.965 3.045 4.347 . 0 0 "[ . 1 .]" 1
734 1 31 ILE MG 1 36 PRO HA . . 5.060 4.745 3.517 5.145 0.085 7 0 "[ . 1 .]" 1
735 1 31 ILE MG 1 32 PRO HD2 . . 3.710 3.212 2.751 3.369 . 0 0 "[ . 1 .]" 1
736 1 31 ILE MG 1 32 PRO QG . . 4.250 4.330 4.124 4.371 0.121 13 0 "[ . 1 .]" 1
737 1 61 LYS HA 1 64 GLN H . . 3.650 3.662 3.534 3.734 0.084 14 0 "[ . 1 .]" 1
738 1 61 LYS HA 1 61 LYS HG2 . . 3.540 2.540 2.271 2.700 . 0 0 "[ . 1 .]" 1
739 1 61 LYS HA 1 61 LYS HG3 . . 3.760 3.283 2.767 3.623 . 0 0 "[ . 1 .]" 1
740 1 31 ILE HG13 1 31 ILE MG . . 3.660 3.219 3.191 3.254 . 0 0 "[ . 1 .]" 1
741 1 31 ILE HG12 1 31 ILE MG . . 3.340 2.357 2.275 2.581 . 0 0 "[ . 1 .]" 1
742 1 71 VAL HA 1 72 PRO HD2 . . 3.580 2.230 2.112 2.370 . 0 0 "[ . 1 .]" 1
743 1 71 VAL HA 1 72 PRO HD3 . . 3.560 2.939 2.614 3.147 . 0 0 "[ . 1 .]" 1
744 1 99 LYS HA 1 99 LYS HG2 . . 3.490 2.935 2.463 3.544 0.054 8 0 "[ . 1 .]" 1
745 1 99 LYS HA 1 99 LYS HG3 . . 3.720 2.338 2.118 2.769 . 0 0 "[ . 1 .]" 1
746 1 61 LYS HA 1 64 GLN QG . . 4.090 3.359 2.258 4.158 0.068 2 0 "[ . 1 .]" 1
747 1 65 ALA H 1 65 ALA MB . . 3.370 2.238 2.194 2.285 . 0 0 "[ . 1 .]" 1
748 1 71 VAL HA 1 72 PRO HG3 . . 4.930 4.791 4.619 4.976 0.046 15 0 "[ . 1 .]" 1
749 1 31 ILE HA 1 32 PRO HD3 . . 3.700 2.638 2.238 2.819 . 0 0 "[ . 1 .]" 1
750 1 31 ILE HA 1 32 PRO HD2 . . 3.800 2.195 2.056 2.432 . 0 0 "[ . 1 .]" 1
751 1 28 VAL HA 1 29 GLU QB . . 4.940 4.260 3.755 4.687 . 0 0 "[ . 1 .]" 1
752 1 27 LYS HG2 1 28 VAL HA . . 5.410 5.135 4.838 5.474 0.064 8 0 "[ . 1 .]" 1
753 1 69 ILE H 1 69 ILE MD . . 3.690 3.034 2.768 3.402 . 0 0 "[ . 1 .]" 1
754 1 26 SER HA 1 76 LEU QD . . 3.830 2.540 2.026 2.995 . 0 0 "[ . 1 .]" 1
755 1 78 CYS HA 1 80 GLY H . . 4.660 4.412 3.488 4.740 0.080 10 0 "[ . 1 .]" 1
756 1 31 ILE HA 1 31 ILE HG12 . . 4.150 2.544 2.327 2.798 . 0 0 "[ . 1 .]" 1
757 1 105 ILE HA 1 106 ALA H . . 3.500 2.350 1.883 2.636 . 0 0 "[ . 1 .]" 1
758 1 115 PHE HA 1 115 PHE HB3 . . 2.800 2.512 2.279 2.875 0.075 15 0 "[ . 1 .]" 1
759 1 115 PHE HA 1 115 PHE HB2 . . 3.000 2.745 2.396 3.040 0.040 3 0 "[ . 1 .]" 1
760 1 115 PHE HA 1 115 PHE QD . . 4.020 3.182 2.107 3.791 . 0 0 "[ . 1 .]" 1
761 1 4 SER HA 1 5 LEU HG . . 3.560 3.284 2.798 3.637 0.077 15 0 "[ . 1 .]" 1
762 1 4 SER HA 1 5 LEU MD2 . . 4.090 4.251 3.840 4.994 0.904 2 3 "[ + . - * .]" 1
763 1 105 ILE HA 1 105 ILE MG . . 3.440 2.326 2.168 2.526 . 0 0 "[ . 1 .]" 1
764 1 4 SER HA 1 5 LEU H . . 3.020 2.453 2.256 2.670 . 0 0 "[ . 1 .]" 1
765 1 4 SER HA 1 4 SER QB . . 2.640 2.324 2.164 2.450 . 0 0 "[ . 1 .]" 1
766 1 64 GLN HA 1 64 GLN QG . . 3.260 2.757 2.234 3.372 0.112 13 0 "[ . 1 .]" 1
767 1 98 LEU HA 1 101 PHE QD . . 4.320 3.914 2.559 4.409 0.089 7 0 "[ . 1 .]" 1
768 1 98 LEU HA 1 101 PHE HB3 . . 4.490 3.617 2.613 4.448 . 0 0 "[ . 1 .]" 1
769 1 98 LEU HA 1 98 LEU MD2 . . 3.360 2.294 2.049 2.539 . 0 0 "[ . 1 .]" 1
770 1 73 CYS HA 1 74 SER HA . . 5.080 4.543 4.416 4.648 . 0 0 "[ . 1 .]" 1
771 1 7 LEU QD 1 8 SER HA . . 4.530 3.675 2.755 4.510 . 0 0 "[ . 1 .]" 1
772 1 89 GLN HA 1 91 GLU H . . 4.590 3.591 3.279 4.114 . 0 0 "[ . 1 .]" 1
773 1 89 GLN HA 1 89 GLN QB . . 2.640 2.146 2.115 2.170 . 0 0 "[ . 1 .]" 1
774 1 98 LEU HA 1 101 PHE HB2 . . 4.110 2.637 2.279 3.081 . 0 0 "[ . 1 .]" 1
775 1 74 SER HA 1 75 VAL QG . . 4.810 3.312 2.729 3.928 . 0 0 "[ . 1 .]" 1
776 1 74 SER HA 1 75 VAL H . . 3.040 2.205 2.033 2.389 . 0 0 "[ . 1 .]" 1
777 1 112 TYR HA 1 112 TYR QB . . 2.660 2.129 2.085 2.161 . 0 0 "[ . 1 .]" 1
778 1 89 GLN HA 1 92 PHE H . . 5.010 3.428 3.062 3.755 . 0 0 "[ . 1 .]" 1
779 1 96 CYS HA 1 97 ARG HA . . 4.760 4.765 4.621 4.838 0.078 8 0 "[ . 1 .]" 1
780 1 62 LEU HA 1 62 LEU QD . . 3.170 2.169 1.919 2.598 . 0 0 "[ . 1 .]" 1
781 1 109 PHE HA 1 109 PHE QD . . 3.570 3.555 2.810 3.684 0.114 4 0 "[ . 1 .]" 1
782 1 33 GLN HA 1 33 GLN QB . . 2.800 2.306 2.106 2.475 . 0 0 "[ . 1 .]" 1
783 1 33 GLN HA 1 34 ASN H . . 3.110 2.875 2.281 3.177 0.067 15 0 "[ . 1 .]" 1
784 1 31 ILE H 1 31 ILE MD . . 4.800 3.792 3.369 4.279 . 0 0 "[ . 1 .]" 1
785 1 16 ASN QB 1 31 ILE MD . . 3.900 2.395 2.044 3.453 . 0 0 "[ . 1 .]" 1
786 1 16 ASN HA 1 31 ILE MD . . 4.180 3.387 2.104 4.082 . 0 0 "[ . 1 .]" 1
787 1 42 LEU QD 1 85 PHE HA . . 5.450 4.733 3.976 4.930 . 0 0 "[ . 1 .]" 1
788 1 27 LYS HA 1 27 LYS HG2 . . 3.660 3.719 3.652 3.742 0.082 15 0 "[ . 1 .]" 1
789 1 108 PRO HA 1 109 PHE HA . . 4.500 4.476 4.285 4.554 0.054 10 0 "[ . 1 .]" 1
790 1 68 ASP HA 1 69 ILE H . . 3.430 3.488 3.439 3.503 0.073 6 0 "[ . 1 .]" 1
791 1 18 ARG HB3 1 31 ILE MD . . 4.400 3.223 2.163 4.752 0.352 11 0 "[ . 1 .]" 1
792 1 85 PHE HA 1 86 VAL H . . 3.250 2.199 2.109 2.265 . 0 0 "[ . 1 .]" 1
793 1 85 PHE HA 1 85 PHE QD . . 4.310 3.082 2.408 3.342 . 0 0 "[ . 1 .]" 1
794 1 85 PHE HA 1 86 VAL MG2 . . 4.110 3.254 2.947 3.581 . 0 0 "[ . 1 .]" 1
795 1 43 VAL H 1 85 PHE HA . . 4.690 4.615 4.097 4.756 0.066 8 0 "[ . 1 .]" 1
796 1 68 ASP HA 1 68 ASP HB2 . . 2.900 2.634 2.485 2.955 0.055 9 0 "[ . 1 .]" 1
797 1 85 PHE HA 1 86 VAL HA . . 4.960 4.504 4.446 4.556 . 0 0 "[ . 1 .]" 1
798 1 17 TYR HA 1 31 ILE H . . 4.200 2.776 2.187 3.397 . 0 0 "[ . 1 .]" 1
799 1 17 TYR HA 1 31 ILE HG12 . . 5.090 3.830 3.265 4.169 . 0 0 "[ . 1 .]" 1
800 1 73 CYS HA 1 74 SER H . . 3.500 2.358 2.027 2.613 . 0 0 "[ . 1 .]" 1
801 1 9 ILE MD 1 49 SER QB . . 4.420 4.199 3.810 4.329 . 0 0 "[ . 1 .]" 1
802 1 73 CYS HA 1 74 SER QB . . 5.350 4.117 3.856 4.340 . 0 0 "[ . 1 .]" 1
803 1 73 CYS HA 1 86 VAL MG1 . . 4.000 2.954 2.114 3.892 . 0 0 "[ . 1 .]" 1
804 1 19 TRP HA 1 28 VAL QG . . 4.650 3.701 3.061 4.185 . 0 0 "[ . 1 .]" 1
805 1 9 ILE MD 1 106 ALA H . . 5.500 4.359 2.756 5.586 0.086 12 0 "[ . 1 .]" 1
806 1 9 ILE HA 1 9 ILE MD . . 4.140 3.080 2.228 4.175 0.035 15 0 "[ . 1 .]" 1
807 1 9 ILE MD 1 10 VAL H . . 5.300 4.655 3.911 5.406 0.106 7 0 "[ . 1 .]" 1
808 1 6 GLN HA 1 7 LEU H . . 2.950 2.617 2.174 3.027 0.077 10 0 "[ . 1 .]" 1
809 1 6 GLN HA 1 6 GLN QG . . 3.210 2.544 2.113 3.319 0.109 13 0 "[ . 1 .]" 1
810 1 5 LEU HA 1 5 LEU MD2 . . 3.110 2.731 2.122 4.095 0.985 2 4 "[-+ . * * .]" 1
811 1 15 GLN HA 1 16 ASN H . . 2.980 2.632 2.211 2.996 0.016 5 0 "[ . 1 .]" 1
812 1 55 ALA HA 1 58 VAL QG . . 4.050 3.221 1.883 3.663 . 0 0 "[ . 1 .]" 1
813 1 99 LYS QE 1 105 ILE MD . . 4.320 2.732 1.766 3.849 . 0 0 "[ . 1 .]" 1
814 1 15 GLN HA 1 16 ASN QB . . 4.620 4.444 3.881 4.534 . 0 0 "[ . 1 .]" 1
815 1 55 ALA HA 1 57 SER H . . 4.710 4.689 4.436 4.777 0.067 15 0 "[ . 1 .]" 1
816 1 55 ALA HA 1 58 VAL HB . . 4.520 2.913 2.626 4.623 0.103 2 0 "[ . 1 .]" 1
817 1 105 ILE HA 1 105 ILE MD . . 4.330 3.485 2.316 4.212 . 0 0 "[ . 1 .]" 1
818 1 99 LYS QD 1 105 ILE MD . . 3.760 3.122 2.079 3.878 0.118 11 0 "[ . 1 .]" 1
819 1 99 LYS HG3 1 105 ILE MD . . 4.450 2.724 1.988 4.204 . 0 0 "[ . 1 .]" 1
820 1 98 LEU HB2 1 105 ILE MD . . 3.150 2.623 2.058 3.260 0.110 12 0 "[ . 1 .]" 1
821 1 6 GLN QG 1 7 LEU HA . . 5.180 4.825 3.601 5.275 0.095 9 0 "[ . 1 .]" 1
822 1 93 ALA HA 1 96 CYS H . . 4.100 3.713 3.514 3.918 . 0 0 "[ . 1 .]" 1
823 1 93 ALA HA 1 96 CYS HB2 . . 3.440 3.350 3.005 3.506 0.066 6 0 "[ . 1 .]" 1
824 1 7 LEU HA 1 8 SER H . . 3.130 2.830 2.229 3.170 0.040 15 0 "[ . 1 .]" 1
825 1 94 ALA HA 1 97 ARG QD . . 5.330 3.239 2.483 4.190 . 0 0 "[ . 1 .]" 1
826 1 66 LEU QD 1 94 ALA HA . . 3.180 3.070 2.402 3.243 0.063 5 0 "[ . 1 .]" 1
827 1 94 ALA HA 1 97 ARG H . . 3.750 3.559 3.083 3.804 0.054 12 0 "[ . 1 .]" 1
828 1 64 GLN QB 1 65 ALA HA . . 4.740 3.989 3.752 4.516 . 0 0 "[ . 1 .]" 1
829 1 19 TRP HA 1 24 ALA HA . . 5.220 4.363 4.004 5.015 . 0 0 "[ . 1 .]" 1
830 1 89 GLN QB 1 90 ASP HA . . 4.590 4.358 3.978 4.679 0.089 2 0 "[ . 1 .]" 1
831 1 19 TRP HE3 1 24 ALA HA . . 5.400 3.941 2.749 4.984 . 0 0 "[ . 1 .]" 1
832 1 19 TRP HB2 1 24 ALA HA . . 4.100 3.814 3.646 4.036 . 0 0 "[ . 1 .]" 1
833 1 19 TRP HB3 1 24 ALA HA . . 3.950 2.461 2.291 2.835 . 0 0 "[ . 1 .]" 1
834 1 107 GLU HA 1 108 PRO QD . . 3.130 2.123 1.989 2.198 . 0 0 "[ . 1 .]" 1
835 1 21 ALA HA 1 22 GLY H . . 3.530 2.940 2.454 3.213 . 0 0 "[ . 1 .]" 1
836 1 19 TRP HE1 1 24 ALA HA . . 5.290 5.239 4.657 5.363 0.073 13 0 "[ . 1 .]" 1
837 1 24 ALA HA 1 25 GLY HA2 . . 4.650 4.691 4.532 4.725 0.075 7 0 "[ . 1 .]" 1
838 1 18 ARG HA 1 18 ARG HG2 . . 4.060 3.659 2.333 3.904 . 0 0 "[ . 1 .]" 1
839 1 107 GLU HA 1 108 PRO HA . . 4.550 4.466 4.291 4.584 0.034 10 0 "[ . 1 .]" 1
840 1 42 LEU HA 1 43 VAL H . . 3.550 2.330 2.227 2.404 . 0 0 "[ . 1 .]" 1
841 1 42 LEU HA 1 87 ASN HA . . 4.070 2.350 2.054 2.875 . 0 0 "[ . 1 .]" 1
842 1 75 VAL HB 1 76 LEU HA . . 5.200 4.763 4.358 5.004 . 0 0 "[ . 1 .]" 1
843 1 84 LEU HA 1 85 PHE HB2 . . 4.980 4.544 4.163 4.780 . 0 0 "[ . 1 .]" 1
844 1 34 ASN HA 1 34 ASN HB3 . . 2.730 2.511 2.381 2.696 . 0 0 "[ . 1 .]" 1
845 1 16 ASN HA 1 17 TYR H . . 3.510 2.257 2.191 2.367 . 0 0 "[ . 1 .]" 1
846 1 15 GLN HA 1 16 ASN HA . . 5.080 4.463 4.249 4.557 . 0 0 "[ . 1 .]" 1
847 1 56 TRP HH2 1 76 LEU HA . . 4.370 4.091 3.073 4.457 0.087 9 0 "[ . 1 .]" 1
848 1 76 LEU HA 1 76 LEU HG . . 3.470 3.078 2.423 3.523 0.053 15 0 "[ . 1 .]" 1
849 1 111 ASN HA 1 111 ASN HB3 . . 2.810 2.607 2.400 3.048 0.238 3 0 "[ . 1 .]" 1
850 1 111 ASN HA 1 112 TYR H . . 2.880 2.265 2.021 2.734 . 0 0 "[ . 1 .]" 1
851 1 39 ASP QB 1 40 ASN HA . . 5.400 4.361 4.145 4.534 . 0 0 "[ . 1 .]" 1
852 1 80 GLY HA3 1 81 GLU HA . . 4.910 4.637 4.558 4.738 . 0 0 "[ . 1 .]" 1
853 1 45 LEU HA 1 45 LEU HG . . 3.720 3.020 2.419 3.774 0.054 7 0 "[ . 1 .]" 1
854 1 29 GLU HA 1 29 GLU QG . . 3.080 2.604 2.109 3.206 0.126 9 0 "[ . 1 .]" 1
855 1 28 VAL HB 1 29 GLU HA . . 5.000 4.194 3.913 4.409 . 0 0 "[ . 1 .]" 1
856 1 106 ALA HA 1 107 GLU QG . . 4.370 4.342 4.086 4.470 0.100 13 0 "[ . 1 .]" 1
857 1 106 ALA HA 1 107 GLU H . . 2.960 2.752 2.399 3.039 0.079 1 0 "[ . 1 .]" 1
858 1 9 ILE MD 1 106 ALA HA . . 4.120 3.408 2.392 4.222 0.102 9 0 "[ . 1 .]" 1
859 1 71 VAL H 1 72 PRO HD2 . . 5.280 4.351 4.160 4.558 . 0 0 "[ . 1 .]" 1
860 1 71 VAL H 1 72 PRO HD3 . . 5.380 3.641 3.298 4.079 . 0 0 "[ . 1 .]" 1
861 1 31 ILE MG 1 32 PRO HD3 . . 4.210 4.205 3.787 4.319 0.109 3 0 "[ . 1 .]" 1
862 1 32 PRO HD2 1 33 GLN H . . 4.910 4.702 4.497 4.959 0.049 15 0 "[ . 1 .]" 1
863 1 113 ASN HA 1 114 PRO HD3 . . 2.850 2.689 2.370 2.919 0.069 13 0 "[ . 1 .]" 1
864 1 104 ALA HA 1 105 ILE H . . 3.090 2.291 2.114 2.465 . 0 0 "[ . 1 .]" 1
865 1 31 ILE HG13 1 32 PRO HD3 . . 5.500 5.088 4.491 5.459 . 0 0 "[ . 1 .]" 1
866 1 113 ASN HA 1 115 PHE QD . . 4.440 3.828 3.240 4.522 0.082 8 0 "[ . 1 .]" 1
867 1 29 GLU HA 1 30 PRO HD2 . . 3.850 2.214 2.145 2.372 . 0 0 "[ . 1 .]" 1
868 1 112 TYR QE 1 114 PRO HD3 . . 5.500 5.284 4.424 5.585 0.085 11 0 "[ . 1 .]" 1
869 1 50 PRO QD 1 51 ASP H . . 5.500 4.509 2.576 5.014 . 0 0 "[ . 1 .]" 1
870 1 110 SER H 1 114 PRO HD3 . . 4.800 4.760 4.060 5.329 0.529 9 1 "[ . +1 .]" 1
871 1 35 GLY HA3 1 36 PRO QD . . 3.470 3.040 2.112 3.532 0.062 9 0 "[ . 1 .]" 1
872 1 36 PRO QD 1 37 CYS H . . 5.380 4.884 4.772 4.978 . 0 0 "[ . 1 .]" 1
873 1 112 TYR H 1 112 TYR QD . . 3.720 3.457 2.579 3.797 0.077 9 0 "[ . 1 .]" 1
874 1 60 TYR HA 1 60 TYR QD . . 2.990 2.414 2.114 2.940 . 0 0 "[ . 1 .]" 1
875 1 60 TYR QD 1 75 VAL HB . . 4.140 2.634 2.210 3.144 . 0 0 "[ . 1 .]" 1
876 1 16 ASN HA 1 17 TYR QD . . 3.710 3.571 3.311 3.812 0.102 5 0 "[ . 1 .]" 1
877 1 23 PHE QD 1 27 LYS HB2 . . 4.140 2.072 2.013 2.172 . 0 0 "[ . 1 .]" 1
878 1 23 PHE QD 1 27 LYS HG2 . . 4.070 2.277 2.147 2.563 . 0 0 "[ . 1 .]" 1
879 1 22 GLY HA3 1 23 PHE QD . . 3.430 3.302 2.973 3.492 0.062 13 0 "[ . 1 .]" 1
880 1 62 LEU QD 1 101 PHE QD . . 3.370 2.653 2.101 3.093 . 0 0 "[ . 1 .]" 1
881 1 101 PHE HA 1 101 PHE QD . . 3.290 2.858 2.377 3.117 . 0 0 "[ . 1 .]" 1
882 1 19 TRP HB2 1 19 TRP HD1 . . 3.350 2.478 2.422 2.521 . 0 0 "[ . 1 .]" 1
883 1 19 TRP HD1 1 24 ALA MB . . 3.920 3.639 2.915 4.012 0.092 13 0 "[ . 1 .]" 1
884 1 19 TRP H 1 19 TRP HD1 . . 3.470 3.478 3.160 3.542 0.072 8 0 "[ . 1 .]" 1
885 1 28 VAL QG 1 85 PHE QE . . 4.080 2.680 2.269 3.637 . 0 0 "[ . 1 .]" 1
886 1 53 ASP HA 1 56 TRP HD1 . . 3.910 3.047 2.595 3.965 0.055 9 0 "[ . 1 .]" 1
887 1 19 TRP HA 1 19 TRP HE3 . . 4.180 2.414 2.161 2.744 . 0 0 "[ . 1 .]" 1
888 1 17 TYR QE 1 43 VAL QG . . 3.930 3.760 3.572 3.879 . 0 0 "[ . 1 .]" 1
889 1 60 TYR QE 1 75 VAL HB . . 3.310 3.127 2.698 3.415 0.105 2 0 "[ . 1 .]" 1
890 1 56 TRP HZ2 1 77 GLU QB . . 3.800 2.912 2.201 3.866 0.066 6 0 "[ . 1 .]" 1
891 1 87 ASN H 1 87 ASN HB3 . . 4.100 3.585 3.475 3.646 . 0 0 "[ . 1 .]" 1
892 1 79 GLU H 1 79 GLU HG2 . . 4.600 3.867 2.879 4.586 . 0 0 "[ . 1 .]" 1
893 1 79 GLU H 1 80 GLY H . . 4.310 3.549 2.828 3.860 . 0 0 "[ . 1 .]" 1
894 1 78 CYS HB3 1 79 GLU H . . 4.990 3.875 2.655 4.489 . 0 0 "[ . 1 .]" 1
895 1 79 GLU H 1 79 GLU HG3 . . 4.440 3.357 2.667 4.678 0.238 10 0 "[ . 1 .]" 1
896 1 79 GLU H 1 81 GLU H . . 5.280 4.512 4.290 4.737 . 0 0 "[ . 1 .]" 1
897 1 43 VAL H 1 44 ALA H . . 5.500 4.454 4.360 4.532 . 0 0 "[ . 1 .]" 1
898 1 43 VAL H 1 86 VAL H . . 4.390 3.051 2.830 3.460 . 0 0 "[ . 1 .]" 1
899 1 17 TYR QD 1 42 LEU H . . 5.500 4.181 3.509 4.885 . 0 0 "[ . 1 .]" 1
900 1 43 VAL H 1 86 VAL MG2 . . 4.240 3.549 3.349 3.771 . 0 0 "[ . 1 .]" 1
901 1 87 ASN HB2 1 89 GLN H . . 4.140 4.029 3.742 4.194 0.054 12 0 "[ . 1 .]" 1
902 1 89 GLN H 1 89 GLN HG3 . . 3.980 3.539 3.350 3.685 . 0 0 "[ . 1 .]" 1
903 1 89 GLN H 1 89 GLN QB . . 3.190 2.961 2.664 3.105 . 0 0 "[ . 1 .]" 1
904 1 77 GLU QB 1 78 CYS H . . 3.980 2.806 2.316 3.648 . 0 0 "[ . 1 .]" 1
905 1 78 CYS H 1 80 GLY H . . 4.610 3.647 2.668 4.038 . 0 0 "[ . 1 .]" 1
906 1 74 SER H 1 85 PHE H . . 4.560 2.864 2.536 3.438 . 0 0 "[ . 1 .]" 1
907 1 17 TYR HB2 1 18 ARG H . . 4.410 2.407 2.128 2.569 . 0 0 "[ . 1 .]" 1
908 1 18 ARG H 1 18 ARG HG2 . . 4.770 2.974 2.596 4.524 . 0 0 "[ . 1 .]" 1
909 1 17 TYR QE 1 29 GLU H . . 4.670 4.641 4.019 4.765 0.095 5 0 "[ . 1 .]" 1
910 1 91 GLU QG 1 92 PHE H . . 4.490 2.925 1.675 3.940 . 0 0 "[ . 1 .]" 1
911 1 29 GLU H 1 29 GLU QB . . 3.820 2.914 2.558 3.368 . 0 0 "[ . 1 .]" 1
912 1 28 VAL HA 1 29 GLU H . . 3.560 2.336 2.256 2.432 . 0 0 "[ . 1 .]" 1
913 1 92 PHE H 1 92 PHE QB . . 3.580 2.491 2.104 2.767 . 0 0 "[ . 1 .]" 1
914 1 87 ASN H 1 88 ARG H . . 5.170 2.970 2.582 3.178 . 0 0 "[ . 1 .]" 1
915 1 88 ARG H 1 88 ARG HD2 . . 5.320 5.223 4.735 6.084 0.764 12 2 "[ -. 1 + .]" 1
916 1 88 ARG H 1 88 ARG QB . . 3.580 2.761 2.633 2.887 . 0 0 "[ . 1 .]" 1
917 1 76 LEU H 1 85 PHE QD . . 5.500 3.980 3.437 5.418 . 0 0 "[ . 1 .]" 1
918 1 87 ASN HB3 1 88 ARG H . . 4.940 2.468 2.137 2.775 . 0 0 "[ . 1 .]" 1
919 1 56 TRP HH2 1 76 LEU H . . 5.500 4.130 3.187 5.301 . 0 0 "[ . 1 .]" 1
920 1 76 LEU H 1 84 LEU QD . . 4.370 3.155 2.821 3.894 . 0 0 "[ . 1 .]" 1
921 1 19 TRP HB3 1 21 ALA H . . 5.500 3.182 2.769 3.441 . 0 0 "[ . 1 .]" 1
922 1 20 SER H 1 27 LYS HG3 . . 4.910 2.481 2.026 2.958 . 0 0 "[ . 1 .]" 1
923 1 19 TRP HD1 1 21 ALA H . . 5.300 4.865 4.470 5.269 . 0 0 "[ . 1 .]" 1
924 1 20 SER HA 1 21 ALA H . . 3.100 2.999 2.805 3.054 . 0 0 "[ . 1 .]" 1
925 1 20 SER H 1 20 SER HB3 . . 4.000 2.863 2.624 3.167 . 0 0 "[ . 1 .]" 1
926 1 20 SER H 1 28 VAL H . . 4.690 4.692 4.135 4.766 0.076 1 0 "[ . 1 .]" 1
927 1 75 VAL H 1 75 VAL HB . . 3.420 2.679 2.383 3.493 0.073 15 0 "[ . 1 .]" 1
928 1 20 SER H 1 28 VAL QG . . 5.310 4.794 4.231 5.089 . 0 0 "[ . 1 .]" 1
929 1 19 TRP HB3 1 20 SER H . . 5.150 2.897 2.338 3.246 . 0 0 "[ . 1 .]" 1
930 1 56 TRP HH2 1 77 GLU H . . 4.600 4.114 3.043 4.666 0.066 6 0 "[ . 1 .]" 1
931 1 77 GLU H 1 77 GLU QB . . 3.670 3.003 2.424 3.359 . 0 0 "[ . 1 .]" 1
932 1 79 GLU HG3 1 80 GLY H . . 5.270 4.626 4.139 5.333 0.063 8 0 "[ . 1 .]" 1
933 1 93 ALA H 1 109 PHE QD . . 4.750 4.789 4.030 4.868 0.118 10 0 "[ . 1 .]" 1
934 1 92 PHE QB 1 93 ALA H . . 3.790 2.652 2.184 3.482 . 0 0 "[ . 1 .]" 1
935 1 15 GLN H 1 16 ASN H . . 4.600 4.196 2.154 4.659 0.059 12 0 "[ . 1 .]" 1
936 1 16 ASN H 1 16 ASN QD . . 4.950 2.840 1.890 4.475 . 0 0 "[ . 1 .]" 1
937 1 44 ALA HA 1 45 LEU H . . 3.080 2.194 2.099 2.303 . 0 0 "[ . 1 .]" 1
938 1 45 LEU H 1 45 LEU HB2 . . 4.170 2.464 2.212 2.738 . 0 0 "[ . 1 .]" 1
939 1 32 PRO HB3 1 33 GLN H . . 4.540 4.528 4.430 4.607 0.067 7 0 "[ . 1 .]" 1
940 1 22 GLY H 1 27 LYS HG2 . . 3.800 3.632 3.301 3.877 0.077 15 0 "[ . 1 .]" 1
941 1 38 GLY HA2 1 39 ASP H . . 3.130 2.853 2.104 3.612 0.482 4 0 "[ . 1 .]" 1
942 1 33 GLN QB 1 34 ASN H . . 3.930 3.843 3.492 4.025 0.095 10 0 "[ . 1 .]" 1
943 1 17 TYR H 1 42 LEU QD . . 5.500 4.647 4.333 5.101 . 0 0 "[ . 1 .]" 1
944 1 17 TYR H 1 42 LEU H . . 4.610 2.818 2.321 3.844 . 0 0 "[ . 1 .]" 1
945 1 67 SER H 1 67 SER HB3 . . 3.140 2.685 2.341 3.614 0.474 10 0 "[ . 1 .]" 1
946 1 37 CYS QB 1 38 GLY H . . 3.570 2.748 1.975 3.677 0.107 10 0 "[ . 1 .]" 1
947 1 106 ALA H 1 107 GLU H . . 5.140 4.135 2.582 4.687 . 0 0 "[ . 1 .]" 1
948 1 62 LEU H 1 64 GLN H . . 4.840 4.417 4.143 4.675 . 0 0 "[ . 1 .]" 1
949 1 60 TYR HB3 1 62 LEU H . . 5.500 5.107 4.835 5.333 . 0 0 "[ . 1 .]" 1
950 1 110 SER HA 1 111 ASN H . . 3.200 2.511 2.085 3.092 . 0 0 "[ . 1 .]" 1
951 1 74 SER H 1 75 VAL H . . 4.850 4.287 3.835 4.485 . 0 0 "[ . 1 .]" 1
952 1 27 LYS HA 1 28 VAL H . . 3.080 2.249 2.077 2.419 . 0 0 "[ . 1 .]" 1
953 1 73 CYS QB 1 74 SER H . . 3.770 2.628 2.024 3.410 . 0 0 "[ . 1 .]" 1
954 1 5 LEU H 1 5 LEU MD1 . . 4.100 3.457 1.912 4.181 0.081 11 0 "[ . 1 .]" 1
955 1 27 LYS HB3 1 28 VAL H . . 4.180 4.111 3.854 4.289 0.109 8 0 "[ . 1 .]" 1
956 1 23 PHE HB3 1 26 SER H . . 3.490 3.418 2.579 3.572 0.082 6 0 "[ . 1 .]" 1
957 1 108 PRO HA 1 109 PHE H . . 2.970 2.365 2.108 2.704 . 0 0 "[ . 1 .]" 1
958 1 27 LYS H 1 28 VAL QG . . 5.500 3.487 3.091 3.851 . 0 0 "[ . 1 .]" 1
959 1 68 ASP H 1 68 ASP HB3 . . 3.910 2.779 2.455 3.317 . 0 0 "[ . 1 .]" 1
960 1 55 ALA HA 1 59 MET H . . 3.830 3.747 3.560 3.888 0.058 5 0 "[ . 1 .]" 1
961 1 17 TYR HB2 1 31 ILE H . . 5.420 4.305 3.938 4.604 . 0 0 "[ . 1 .]" 1
962 1 72 PRO HA 1 73 CYS H . . 2.840 2.122 1.997 2.286 . 0 0 "[ . 1 .]" 1
963 1 72 PRO HB3 1 73 CYS H . . 4.090 4.093 3.870 4.168 0.078 13 0 "[ . 1 .]" 1
964 1 50 PRO QG 1 51 ASP H . . 4.190 3.815 2.102 4.288 0.098 14 0 "[ . 1 .]" 1
965 1 109 PHE HA 1 110 SER H . . 3.210 2.870 2.059 3.147 . 0 0 "[ . 1 .]" 1
966 1 112 TYR H 1 112 TYR QB . . 3.270 2.861 2.501 3.382 0.112 13 0 "[ . 1 .]" 1
967 1 90 ASP H 1 93 ALA H . . 5.430 4.860 4.721 5.028 . 0 0 "[ . 1 .]" 1
968 1 90 ASP H 1 93 ALA MB . . 4.950 4.385 4.101 4.626 . 0 0 "[ . 1 .]" 1
969 1 89 GLN QB 1 90 ASP H . . 3.990 3.552 3.426 3.707 . 0 0 "[ . 1 .]" 1
970 1 41 SER H 1 42 LEU H . . 4.560 4.355 4.123 4.516 . 0 0 "[ . 1 .]" 1
971 1 57 SER QB 1 58 VAL H . . 3.550 2.521 2.124 3.293 . 0 0 "[ . 1 .]" 1
972 1 97 ARG HA 1 100 ASN H . . 3.740 3.607 3.355 3.802 0.062 7 0 "[ . 1 .]" 1
973 1 69 ILE HB 1 70 GLU H . . 3.510 2.088 1.879 2.376 . 0 0 "[ . 1 .]" 1
974 1 70 GLU H 1 70 GLU QG . . 3.490 2.681 2.303 3.224 . 0 0 "[ . 1 .]" 1
975 1 99 LYS H 1 100 ASN H . . 3.900 2.819 2.708 2.956 . 0 0 "[ . 1 .]" 1
976 1 57 SER H 1 57 SER QB . . 3.200 2.438 2.103 2.754 . 0 0 "[ . 1 .]" 1
977 1 56 TRP QB 1 57 SER H . . 3.890 2.450 2.241 2.738 . 0 0 "[ . 1 .]" 1
978 1 57 SER H 1 58 VAL QG . . 4.400 4.202 3.729 4.382 . 0 0 "[ . 1 .]" 1
979 1 58 VAL HA 1 61 LYS H . . 3.890 3.629 3.317 3.951 0.061 11 0 "[ . 1 .]" 1
980 1 61 LYS H 1 61 LYS QD . . 4.530 4.053 3.451 4.337 . 0 0 "[ . 1 .]" 1
981 1 87 ASN H 1 87 ASN HD21 . . 5.430 2.664 2.084 3.389 . 0 0 "[ . 1 .]" 1
982 1 101 PHE HA 1 102 GLY H . . 3.420 3.472 3.395 3.507 0.087 12 0 "[ . 1 .]" 1
983 1 99 LYS HA 1 102 GLY H . . 4.210 3.338 2.748 3.787 . 0 0 "[ . 1 .]" 1
984 1 72 PRO HD3 1 87 ASN HD21 . . 4.960 4.794 4.403 5.028 0.068 7 0 "[ . 1 .]" 1
985 1 61 LYS H 1 62 LEU QD . . 4.540 4.286 4.028 4.535 . 0 0 "[ . 1 .]" 1
986 1 19 TRP HE3 1 28 VAL HA . . 3.640 3.206 2.662 3.708 0.068 13 0 "[ . 1 .]" 1
987 1 19 TRP HE3 1 28 VAL QG . . 4.140 2.733 2.192 3.520 . 0 0 "[ . 1 .]" 1
988 1 19 TRP HE3 1 42 LEU QD . . 5.500 3.132 2.823 3.719 . 0 0 "[ . 1 .]" 1
989 1 19 TRP HE3 1 20 SER H . . 4.730 4.369 4.088 4.661 . 0 0 "[ . 1 .]" 1
990 1 64 GLN H 1 64 GLN QG . . 3.970 2.317 2.037 2.680 . 0 0 "[ . 1 .]" 1
991 1 69 ILE H 1 71 VAL H . . 3.870 3.382 3.050 3.764 . 0 0 "[ . 1 .]" 1
992 1 89 GLN QB 1 89 GLN QE . . 3.870 3.624 3.397 3.693 . 0 0 "[ . 1 .]" 1
993 1 67 SER HA 1 71 VAL H . . 3.460 2.625 2.073 3.294 . 0 0 "[ . 1 .]" 1
994 1 91 GLU H 1 94 ALA H . . 4.650 4.604 4.493 4.710 0.060 11 0 "[ . 1 .]" 1
995 1 52 GLY QA 1 56 TRP H . . 4.580 4.364 3.762 4.649 0.069 5 0 "[ . 1 .]" 1
996 1 52 GLY H 1 56 TRP H . . 4.630 4.096 3.235 4.715 0.085 8 0 "[ . 1 .]" 1
997 1 96 CYS HB3 1 97 ARG H . . 4.010 2.444 2.327 2.593 . 0 0 "[ . 1 .]" 1
998 1 66 LEU H 1 66 LEU HG . . 3.760 3.174 2.486 3.859 0.099 6 0 "[ . 1 .]" 1
999 1 56 TRP QB 1 56 TRP HD1 . . 3.560 2.517 2.427 2.634 . 0 0 "[ . 1 .]" 1
1000 1 81 GLU H 1 81 GLU HG3 . . 4.570 3.903 2.494 4.613 0.043 5 0 "[ . 1 .]" 1
1001 1 102 GLY H 1 103 VAL H . . 3.210 2.534 1.980 3.079 . 0 0 "[ . 1 .]" 1
1002 1 113 ASN HB3 1 115 PHE H . . 4.510 4.154 3.573 4.984 0.474 2 0 "[ . 1 .]" 1
1003 1 48 LEU H 1 49 SER H . . 4.400 3.477 1.971 4.465 0.065 9 0 "[ . 1 .]" 1
1004 1 113 ASN HB2 1 115 PHE H . . 4.900 4.569 3.803 4.982 0.082 12 0 "[ . 1 .]" 1
1005 1 19 TRP HD1 1 24 ALA HA . . 4.700 4.352 3.809 4.694 . 0 0 "[ . 1 .]" 1
1006 1 19 TRP HB3 1 19 TRP HD1 . . 3.490 3.469 3.383 3.559 0.069 13 0 "[ . 1 .]" 1
1007 1 14 PRO HB2 1 15 GLN H . . 4.410 2.835 2.115 4.318 . 0 0 "[ . 1 .]" 1
1008 1 19 TRP HZ2 1 42 LEU QD . . 3.860 2.750 2.506 3.219 . 0 0 "[ . 1 .]" 1
1009 1 56 TRP HA 1 56 TRP HE3 . . 3.710 2.491 2.052 3.012 . 0 0 "[ . 1 .]" 1
1010 1 56 TRP QB 1 56 TRP HE3 . . 3.430 2.907 2.582 3.170 . 0 0 "[ . 1 .]" 1
1011 1 56 TRP HE3 1 84 LEU QD . . 4.790 4.698 4.346 4.821 0.031 14 0 "[ . 1 .]" 1
1012 1 56 TRP HE3 1 59 MET ME . . 4.750 2.448 1.994 2.904 . 0 0 "[ . 1 .]" 1
1013 1 23 PHE QE 1 27 LYS QD . . 4.730 2.520 2.191 3.051 . 0 0 "[ . 1 .]" 1
1014 1 23 PHE QE 1 27 LYS HG2 . . 4.830 3.628 3.296 3.968 . 0 0 "[ . 1 .]" 1
1015 1 20 SER HB3 1 23 PHE QE . . 4.850 4.299 3.722 4.646 . 0 0 "[ . 1 .]" 1
1016 1 92 PHE QD 1 93 ALA H . . 5.280 3.542 2.676 4.441 . 0 0 "[ . 1 .]" 1
1017 1 92 PHE QD 1 109 PHE H . . 5.500 5.188 4.001 5.610 0.110 3 0 "[ . 1 .]" 1
1018 1 60 TYR H 1 60 TYR QD . . 4.610 4.127 3.502 4.259 . 0 0 "[ . 1 .]" 1
1019 1 60 TYR QD 1 61 LYS HG2 . . 5.000 4.062 2.749 5.083 0.083 6 0 "[ . 1 .]" 1
1020 1 93 ALA MB 1 97 ARG HE . . 4.410 3.266 1.858 4.492 0.082 10 0 "[ . 1 .]" 1
1021 1 95 THR MG 1 109 PHE QD . . 4.880 2.469 2.206 3.720 . 0 0 "[ . 1 .]" 1
1022 1 92 PHE HA 1 109 PHE QD . . 3.300 2.274 1.939 3.400 0.100 3 0 "[ . 1 .]" 1
1023 1 97 ARG HB3 1 97 ARG HE . . 4.510 4.114 3.341 4.592 0.082 6 0 "[ . 1 .]" 1
1024 1 58 VAL QG 1 101 PHE QD . . 3.450 2.866 2.200 3.382 . 0 0 "[ . 1 .]" 1
1025 1 66 LEU QD 1 97 ARG HE . . 4.260 2.598 1.770 3.902 . 0 0 "[ . 1 .]" 1
1026 1 68 ASP HB3 1 69 ILE H . . 3.800 3.221 2.649 3.526 . 0 0 "[ . 1 .]" 1
1027 1 69 ILE H 1 70 GLU H . . 3.240 2.545 2.253 2.812 . 0 0 "[ . 1 .]" 1
1028 1 66 LEU HA 1 69 ILE H . . 3.630 3.529 3.290 3.698 0.068 14 0 "[ . 1 .]" 1
1029 1 87 ASN H 1 87 ASN HD22 . . 5.500 3.810 3.368 4.403 . 0 0 "[ . 1 .]" 1
1030 1 69 ILE H 1 69 ILE HB . . 3.790 2.680 2.490 2.884 . 0 0 "[ . 1 .]" 1
1031 1 20 SER H 1 23 PHE QD . . 4.810 4.825 4.481 4.899 0.089 11 0 "[ . 1 .]" 1
1032 1 20 SER HB3 1 23 PHE QD . . 3.820 3.858 3.428 3.916 0.096 1 0 "[ . 1 .]" 1
1033 1 23 PHE QD 1 27 LYS HB3 . . 4.540 3.052 2.679 3.361 . 0 0 "[ . 1 .]" 1
1034 1 23 PHE QD 1 27 LYS QD . . 4.420 2.408 2.267 2.566 . 0 0 "[ . 1 .]" 1
1035 1 23 PHE H 1 23 PHE QD . . 3.540 2.692 2.297 2.994 . 0 0 "[ . 1 .]" 1
1036 1 23 PHE HA 1 23 PHE QD . . 3.410 3.232 2.946 3.449 0.039 8 0 "[ . 1 .]" 1
1037 1 112 TYR QD 1 113 ASN H . . 4.900 4.296 3.998 4.675 . 0 0 "[ . 1 .]" 1
1038 1 111 ASN HA 1 112 TYR QD . . 5.480 4.313 3.756 4.840 . 0 0 "[ . 1 .]" 1
1039 1 60 TYR QE 1 75 VAL H . . 4.530 4.507 4.068 4.613 0.083 10 0 "[ . 1 .]" 1
1040 1 60 TYR QE 1 64 GLN QG . . 4.520 3.373 2.622 4.615 0.095 9 0 "[ . 1 .]" 1
1041 1 56 TRP HH2 1 77 GLU QB . . 3.330 2.631 2.087 3.406 0.076 2 0 "[ . 1 .]" 1
1042 1 56 TRP HZ3 1 75 VAL QG . . 4.250 2.195 1.915 3.142 . 0 0 "[ . 1 .]" 1
1043 1 56 TRP HZ3 1 84 LEU QD . . 3.860 3.733 3.103 3.921 0.061 11 0 "[ . 1 .]" 1
1044 1 32 PRO HD3 1 34 ASN HD22 . . 4.810 4.374 3.621 4.892 0.082 13 0 "[ . 1 .]" 1
1045 1 58 VAL QG 1 101 PHE QE . . 5.430 3.169 2.302 4.094 . 0 0 "[ . 1 .]" 1
1046 1 33 GLN H 1 34 ASN HD22 . . 5.500 5.568 5.501 5.591 0.091 12 0 "[ . 1 .]" 1
1047 1 112 TYR QB 1 113 ASN HD22 . . 4.990 4.964 4.506 5.091 0.101 13 0 "[ . 1 .]" 1
1048 1 15 GLN QB 1 17 TYR QD . . 5.500 3.830 2.921 4.921 . 0 0 "[ . 1 .]" 1
1049 1 17 TYR QD 1 28 VAL QG . . 4.630 3.055 2.796 3.196 . 0 0 "[ . 1 .]" 1
1050 1 17 TYR QE 1 42 LEU H . . 5.080 4.499 4.154 4.784 . 0 0 "[ . 1 .]" 1
1051 1 17 TYR H 1 17 TYR QE . . 4.280 4.213 4.040 4.358 0.078 13 0 "[ . 1 .]" 1
1052 1 17 TYR QE 1 28 VAL HB . . 3.570 2.885 2.553 3.249 . 0 0 "[ . 1 .]" 1
1053 1 17 TYR QE 1 42 LEU QD . . 4.140 2.836 2.456 3.572 . 0 0 "[ . 1 .]" 1
1054 1 17 TYR QE 1 42 LEU HB2 . . 5.010 3.276 2.943 4.873 . 0 0 "[ . 1 .]" 1
1055 1 17 TYR QE 1 44 ALA MB . . 3.900 2.740 2.386 3.159 . 0 0 "[ . 1 .]" 1
1056 1 17 TYR QE 1 28 VAL QG . . 4.620 2.125 2.020 2.341 . 0 0 "[ . 1 .]" 1
1057 1 85 PHE H 1 85 PHE QD . . 4.510 2.747 2.075 3.538 . 0 0 "[ . 1 .]" 1
1058 1 76 LEU QD 1 85 PHE QD . . 5.210 3.249 2.348 4.026 . 0 0 "[ . 1 .]" 1
1059 1 44 ALA MB 1 85 PHE QD . . 5.260 2.826 2.282 4.035 . 0 0 "[ . 1 .]" 1
1060 1 28 VAL QG 1 85 PHE QD . . 5.500 2.823 2.462 3.332 . 0 0 "[ . 1 .]" 1
1061 1 45 LEU H 1 85 PHE QE . . 5.420 5.249 4.684 5.502 0.082 14 0 "[ . 1 .]" 1
1062 1 85 PHE H 1 85 PHE QE . . 5.030 4.702 4.009 4.987 . 0 0 "[ . 1 .]" 1
1063 1 76 LEU H 1 85 PHE QE . . 4.960 3.616 2.894 5.041 0.081 9 0 "[ . 1 .]" 1
1064 1 76 LEU QD 1 85 PHE QE . . 5.500 2.475 2.188 2.857 . 0 0 "[ . 1 .]" 1
1065 1 44 ALA MB 1 85 PHE QE . . 4.460 3.107 2.152 3.937 . 0 0 "[ . 1 .]" 1
1066 1 76 LEU HB3 1 85 PHE QE . . 4.530 4.011 3.579 4.984 0.454 9 0 "[ . 1 .]" 1
1067 1 73 CYS HA 1 86 VAL HA . . 4.960 2.900 2.399 3.217 . 0 0 "[ . 1 .]" 1
1068 1 20 SER H 1 28 VAL HA . . 4.900 3.658 2.795 4.113 . 0 0 "[ . 1 .]" 1
1069 1 49 SER QB 1 50 PRO HA . . 2.400 2.249 2.000 2.457 0.057 9 0 "[ . 1 .]" 1
1070 1 113 ASN HA 1 114 PRO HD2 . . 2.700 2.241 2.037 2.380 . 0 0 "[ . 1 .]" 1
1071 1 23 PHE QD 1 27 LYS HA . . 4.090 4.184 4.162 4.196 0.106 6 0 "[ . 1 .]" 1
1072 1 51 ASP HA 1 51 ASP HB2 . . 2.770 2.501 2.336 3.031 0.261 10 0 "[ . 1 .]" 1
1073 1 68 ASP HB3 1 69 ILE HA . . 4.410 4.294 3.776 4.471 0.061 11 0 "[ . 1 .]" 1
1074 1 41 SER HA 1 42 LEU QD . . 4.520 4.146 3.723 4.345 . 0 0 "[ . 1 .]" 1
1075 1 42 LEU QD 1 86 VAL HA . . 5.040 3.939 3.679 4.195 . 0 0 "[ . 1 .]" 1
1076 1 92 PHE QB 1 109 PHE HA . . 4.920 3.939 1.999 4.813 . 0 0 "[ . 1 .]" 1
1077 1 17 TYR H 1 43 VAL HA . . 5.500 5.341 4.943 5.569 0.069 5 0 "[ . 1 .]" 1
1078 1 71 VAL H 1 72 PRO HA . . 5.090 4.609 4.362 4.937 . 0 0 "[ . 1 .]" 1
1079 1 14 PRO HA 1 17 TYR QE . . 5.500 4.978 3.470 5.590 0.090 4 0 "[ . 1 .]" 1
1080 1 56 TRP HE3 1 57 SER HA . . 5.380 5.206 4.072 5.474 0.094 2 0 "[ . 1 .]" 1
1081 1 15 GLN HA 1 16 ASN QD . . 5.440 4.022 2.842 5.339 . 0 0 "[ . 1 .]" 1
1082 1 108 PRO HA 1 110 SER H . . 5.170 4.341 3.640 5.254 0.084 3 0 "[ . 1 .]" 1
1083 1 4 SER QB 1 5 LEU HA . . 4.230 4.255 4.088 4.320 0.090 6 0 "[ . 1 .]" 1
1084 1 89 GLN HA 1 90 ASP HA . . 4.940 4.895 4.703 5.014 0.074 2 0 "[ . 1 .]" 1
1085 1 113 ASN HB3 1 114 PRO HA . . 5.500 5.594 5.185 6.116 0.616 10 2 "[ - . + .]" 1
1086 1 97 ARG HA 1 97 ARG QD . . 4.520 3.942 2.508 4.369 . 0 0 "[ . 1 .]" 1
1087 1 31 ILE HA 1 34 ASN QB . . 4.170 4.037 3.414 4.251 0.081 5 0 "[ . 1 .]" 1
1088 1 96 CYS HB3 1 97 ARG HA . . 4.520 4.202 3.813 4.502 . 0 0 "[ . 1 .]" 1
1089 1 61 LYS HA 1 61 LYS QE . . 4.580 4.466 4.162 4.685 0.105 14 0 "[ . 1 .]" 1
1090 1 61 LYS HA 1 62 LEU QD . . 5.210 4.622 4.413 4.777 . 0 0 "[ . 1 .]" 1
1091 1 74 SER QB 1 84 LEU HA . . 4.620 4.354 3.930 4.559 . 0 0 "[ . 1 .]" 1
1092 1 67 SER HB3 1 68 ASP H . . 4.830 3.310 2.476 4.172 . 0 0 "[ . 1 .]" 1
1093 1 52 GLY QA 1 55 ALA MB . . 4.900 3.694 3.012 4.238 . 0 0 "[ . 1 .]" 1
1094 1 60 TYR HA 1 63 SER QB . . 4.180 2.957 2.211 3.805 . 0 0 "[ . 1 .]" 1
1095 1 60 TYR QD 1 63 SER QB . . 4.910 3.904 2.495 4.496 . 0 0 "[ . 1 .]" 1
1096 1 41 SER HB3 1 42 LEU H . . 5.290 2.474 2.055 3.056 . 0 0 "[ . 1 .]" 1
1097 1 92 PHE H 1 93 ALA HA . . 5.480 5.290 5.125 5.449 . 0 0 "[ . 1 .]" 1
1098 1 96 CYS HA 1 109 PHE QD . . 4.990 4.912 4.386 5.103 0.113 10 0 "[ . 1 .]" 1
1099 1 42 LEU HA 1 88 ARG HA . . 4.610 4.609 4.499 4.689 0.079 13 0 "[ . 1 .]" 1
1100 1 8 SER HB3 1 9 ILE H . . 4.260 3.546 2.114 4.497 0.237 11 0 "[ . 1 .]" 1
1101 1 4 SER QB 1 7 LEU QD . . 4.060 3.678 2.418 4.130 0.070 7 0 "[ . 1 .]" 1
1102 1 4 SER QB 1 6 GLN H . . 3.910 2.820 2.495 3.400 . 0 0 "[ . 1 .]" 1
1103 1 17 TYR QD 1 30 PRO HD3 . . 4.930 5.021 5.014 5.029 0.099 4 0 "[ . 1 .]" 1
1104 1 29 GLU HA 1 30 PRO HD3 . . 3.800 2.522 2.387 2.693 . 0 0 "[ . 1 .]" 1
1105 1 62 LEU HA 1 65 ALA MB . . 3.930 2.303 2.140 2.581 . 0 0 "[ . 1 .]" 1
1106 1 35 GLY HA2 1 36 PRO QD . . 2.400 2.214 2.061 2.510 0.110 6 0 "[ . 1 .]" 1
1107 1 56 TRP HA 1 59 MET ME . . 2.890 2.486 2.126 2.967 0.077 9 0 "[ . 1 .]" 1
1108 1 7 LEU QB 1 50 PRO QD . . 3.700 3.008 2.279 3.671 . 0 0 "[ . 1 .]" 1
1109 1 107 GLU H 1 108 PRO QD . . 5.010 4.406 4.319 4.488 . 0 0 "[ . 1 .]" 1
1110 1 22 GLY HA3 1 23 PHE QE . . 4.860 3.605 2.919 3.975 . 0 0 "[ . 1 .]" 1
1111 1 22 GLY HA3 1 27 LYS HG2 . . 5.150 4.107 3.806 4.551 . 0 0 "[ . 1 .]" 1
1112 1 62 LEU QD 1 101 PHE HB3 . . 5.200 3.975 2.570 4.718 . 0 0 "[ . 1 .]" 1
1113 1 101 PHE H 1 101 PHE HB3 . . 4.100 3.162 2.693 3.578 . 0 0 "[ . 1 .]" 1
1114 1 56 TRP QB 1 56 TRP HZ3 . . 5.040 5.030 4.857 5.138 0.098 7 0 "[ . 1 .]" 1
1115 1 55 ALA MB 1 56 TRP QB . . 5.310 4.088 3.668 4.326 . 0 0 "[ . 1 .]" 1
1116 1 19 TRP HB3 1 22 GLY H . . 5.230 4.338 4.030 4.710 . 0 0 "[ . 1 .]" 1
1117 1 88 ARG QB 1 88 ARG HD3 . . 3.360 2.421 2.277 2.633 . 0 0 "[ . 1 .]" 1
1118 1 73 CYS QB 1 84 LEU QD . . 5.230 3.445 2.093 4.642 . 0 0 "[ . 1 .]" 1
1119 1 51 ASP HB3 1 52 GLY QA . . 4.880 4.600 3.752 5.364 0.484 12 0 "[ . 1 .]" 1
1120 1 38 GLY H 1 40 ASN HB2 . . 4.050 3.927 2.900 4.501 0.451 12 0 "[ . 1 .]" 1
1121 1 97 ARG HA 1 100 ASN QB . . 4.230 3.328 2.486 4.167 . 0 0 "[ . 1 .]" 1
1122 1 54 ASN HB2 1 55 ALA MB . . 4.700 4.504 3.486 5.306 0.606 11 2 "[ . - 1+ .]" 1
1123 1 39 ASP QB 1 89 GLN QE . . 4.150 3.295 2.204 3.928 . 0 0 "[ . 1 .]" 1
1124 1 96 CYS H 1 96 CYS HB3 . . 3.850 2.719 2.585 2.859 . 0 0 "[ . 1 .]" 1
1125 1 42 LEU QD 1 85 PHE HB2 . . 5.430 4.282 3.460 4.792 . 0 0 "[ . 1 .]" 1
1126 1 73 CYS QB 1 75 VAL QG . . 4.120 3.167 2.747 3.640 . 0 0 "[ . 1 .]" 1
1127 1 89 GLN HG2 1 90 ASP HA . . 5.440 4.404 3.894 4.992 . 0 0 "[ . 1 .]" 1
1128 1 27 LYS QE 1 27 LYS HG2 . . 3.770 2.774 2.343 3.255 . 0 0 "[ . 1 .]" 1
1129 1 27 LYS QE 1 27 LYS HG3 . . 3.460 2.206 2.007 2.977 . 0 0 "[ . 1 .]" 1
1130 1 6 GLN H 1 6 GLN QG . . 3.990 3.484 1.874 4.071 0.081 1 0 "[ . 1 .]" 1
1131 1 60 TYR QD 1 64 GLN QG . . 4.670 3.471 2.860 3.952 . 0 0 "[ . 1 .]" 1
1132 1 72 PRO HB2 1 73 CYS H . . 3.790 3.700 3.113 3.871 0.081 12 0 "[ . 1 .]" 1
1133 1 69 ILE HA 1 69 ILE HB . . 3.000 3.026 2.993 3.049 0.049 8 0 "[ . 1 .]" 1
1134 1 15 GLN HG3 1 16 ASN H . . 4.670 3.632 1.977 4.762 0.092 3 0 "[ . 1 .]" 1
1135 1 79 GLU QB 1 81 GLU QB . . 4.430 4.060 2.882 4.396 . 0 0 "[ . 1 .]" 1
1136 1 91 GLU QG 1 94 ALA MB . . 5.020 4.765 4.193 5.163 0.143 1 0 "[ . 1 .]" 1
1137 1 69 ILE MG 1 70 GLU QG . . 4.490 2.371 2.022 2.736 . 0 0 "[ . 1 .]" 1
1138 1 86 VAL HB 1 91 GLU H . . 4.070 3.616 3.003 4.114 0.044 3 0 "[ . 1 .]" 1
1139 1 64 GLN HB3 1 65 ALA H . . 3.870 3.614 3.292 3.956 0.086 9 0 "[ . 1 .]" 1
1140 1 70 GLU HA 1 70 GLU QG . . 3.210 3.194 2.381 3.315 0.105 6 0 "[ . 1 .]" 1
1141 1 76 LEU HA 1 77 GLU QB . . 4.760 4.263 3.890 4.569 . 0 0 "[ . 1 .]" 1
1142 1 79 GLU QB 1 79 GLU HG2 . . 2.400 2.346 2.129 2.568 0.168 10 0 "[ . 1 .]" 1
1143 1 108 PRO HB2 1 109 PHE HA . . 5.450 4.496 3.776 4.759 . 0 0 "[ . 1 .]" 1
1144 1 14 PRO HB2 1 17 TYR QE . . 4.720 3.973 2.938 4.807 0.087 8 0 "[ . 1 .]" 1
1145 1 70 GLU H 1 71 VAL HB . . 5.300 3.821 3.551 4.171 . 0 0 "[ . 1 .]" 1
1146 1 42 LEU QD 1 88 ARG QB . . 5.450 4.836 4.663 5.024 . 0 0 "[ . 1 .]" 1
1147 1 59 MET ME 1 60 TYR H . . 4.220 3.970 3.733 4.178 . 0 0 "[ . 1 .]" 1
1148 1 114 PRO HG2 1 115 PHE QD . . 5.490 3.306 2.150 4.677 . 0 0 "[ . 1 .]" 1
1149 1 98 LEU HB3 1 98 LEU HG . . 2.760 2.542 2.419 2.835 0.075 13 0 "[ . 1 .]" 1
1150 1 18 ARG HB3 1 18 ARG HD2 . . 3.010 2.843 2.483 3.845 0.835 13 3 "[ .* 1 +-.]" 1
1151 1 59 MET QG 1 60 TYR HA . . 5.150 3.542 3.309 3.737 . 0 0 "[ . 1 .]" 1
1152 1 23 PHE HB2 1 27 LYS HB2 . . 4.170 2.122 2.036 2.289 . 0 0 "[ . 1 .]" 1
1153 1 110 SER QB 1 114 PRO HG3 . . 2.790 2.392 2.049 2.784 . 0 0 "[ . 1 .]" 1
1154 1 76 LEU HB2 1 76 LEU HG . . 2.400 2.599 2.382 3.049 0.649 9 4 "[ . *+1- *.]" 1
1155 1 31 ILE HB 1 31 ILE MD . . 3.010 2.334 2.223 2.523 . 0 0 "[ . 1 .]" 1
1156 1 9 ILE HB 1 10 VAL HA . . 4.670 4.557 4.200 4.753 0.083 7 0 "[ . 1 .]" 1
1157 1 90 ASP HB2 1 93 ALA MB . . 4.960 4.674 4.040 5.107 0.147 10 0 "[ . 1 .]" 1
1158 1 21 ALA MB 1 22 GLY H . . 4.140 3.661 3.551 3.789 . 0 0 "[ . 1 .]" 1
1159 1 20 SER HA 1 21 ALA MB . . 3.820 3.851 3.633 3.926 0.106 1 0 "[ . 1 .]" 1
1160 1 104 ALA MB 1 105 ILE H . . 3.760 2.992 2.367 3.685 . 0 0 "[ . 1 .]" 1
1161 1 48 LEU HG 1 49 SER H . . 5.500 3.733 1.718 4.724 . 0 0 "[ . 1 .]" 1
1162 1 90 ASP HA 1 94 ALA MB . . 5.500 4.074 3.668 4.467 . 0 0 "[ . 1 .]" 1
1163 1 42 LEU HB2 1 42 LEU HG . . 2.720 2.486 2.426 2.787 0.067 5 0 "[ . 1 .]" 1
1164 1 51 ASP HB3 1 55 ALA MB . . 5.500 4.594 2.132 5.408 . 0 0 "[ . 1 .]" 1
1165 1 51 ASP HB2 1 55 ALA MB . . 5.500 4.271 2.500 5.448 . 0 0 "[ . 1 .]" 1
1166 1 42 LEU HB3 1 85 PHE HB3 . . 4.850 4.099 3.552 4.939 0.089 5 0 "[ . 1 .]" 1
1167 1 17 TYR QD 1 42 LEU HB3 . . 5.500 4.382 4.037 4.804 . 0 0 "[ . 1 .]" 1
1168 1 91 GLU QB 1 95 THR MG . . 4.410 4.309 3.608 4.538 0.128 5 0 "[ . 1 .]" 1
1169 1 95 THR HA 1 98 LEU HB2 . . 2.980 2.627 2.338 2.953 . 0 0 "[ . 1 .]" 1
1170 1 62 LEU HB3 1 63 SER H . . 3.460 3.320 3.072 3.495 0.035 1 0 "[ . 1 .]" 1
1171 1 18 ARG HA 1 42 LEU HG . . 2.650 2.516 2.143 2.756 0.106 5 0 "[ . 1 .]" 1
1172 1 27 LYS QD 1 28 VAL QG . . 5.500 4.299 3.968 4.529 . 0 0 "[ . 1 .]" 1
1173 1 58 VAL HA 1 58 VAL QG . . 3.230 2.171 2.094 2.235 . 0 0 "[ . 1 .]" 1
1174 1 19 TRP HB3 1 24 ALA MB . . 4.890 3.555 3.047 4.128 . 0 0 "[ . 1 .]" 1
1175 1 71 VAL MG1 1 90 ASP HB3 . . 3.450 2.860 2.139 3.951 0.501 11 1 "[ . 1+ .]" 1
1176 1 69 ILE H 1 69 ILE MG . . 3.710 3.803 3.763 3.816 0.106 2 0 "[ . 1 .]" 1
1177 1 69 ILE HA 1 69 ILE MG . . 3.040 2.258 2.158 2.378 . 0 0 "[ . 1 .]" 1
1178 1 31 ILE HA 1 31 ILE MG . . 3.010 2.398 2.236 2.773 . 0 0 "[ . 1 .]" 1
1179 1 31 ILE MG 1 34 ASN HD21 . . 3.680 3.366 2.074 3.780 0.100 10 0 "[ . 1 .]" 1
1180 1 103 VAL HA 1 103 VAL MG2 . . 3.610 3.182 2.597 3.290 . 0 0 "[ . 1 .]" 1
1181 1 98 LEU HA 1 98 LEU MD1 . . 3.230 2.327 2.093 3.204 . 0 0 "[ . 1 .]" 1
1182 1 59 MET QG 1 75 VAL QG . . 3.370 2.798 1.884 3.151 . 0 0 "[ . 1 .]" 1
1183 1 69 ILE HA 1 69 ILE MD . . 3.610 2.518 2.217 3.736 0.126 9 0 "[ . 1 .]" 1
1184 1 60 TYR HB2 1 75 VAL QG . . 3.610 2.803 2.273 3.596 . 0 0 "[ . 1 .]" 1
1185 1 71 VAL HA 1 71 VAL MG2 . . 3.090 2.503 2.319 2.632 . 0 0 "[ . 1 .]" 1
1186 1 63 SER HA 1 66 LEU QD . . 3.610 2.885 2.344 3.225 . 0 0 "[ . 1 .]" 1
1187 1 105 ILE H 1 105 ILE MG . . 3.870 3.515 2.965 3.971 0.101 6 0 "[ . 1 .]" 1
1188 1 17 TYR HA 1 31 ILE MD . . 4.470 3.121 2.584 3.716 . 0 0 "[ . 1 .]" 1
1189 1 43 VAL QG 1 88 ARG HA . . 3.120 2.144 1.942 2.277 . 0 0 "[ . 1 .]" 1
1190 1 86 VAL H 1 86 VAL MG1 . . 3.690 3.561 3.157 3.732 0.042 2 0 "[ . 1 .]" 1
1191 1 66 LEU HA 1 66 LEU QD . . 3.200 2.256 2.014 2.748 . 0 0 "[ . 1 .]" 1
1192 1 105 ILE HB 1 105 ILE MD . . 3.400 2.918 2.242 3.321 . 0 0 "[ . 1 .]" 1
1193 1 75 VAL HA 1 84 LEU QD . . 3.950 2.046 1.919 2.252 . 0 0 "[ . 1 .]" 1
1194 1 61 LYS HB3 1 62 LEU QD . . 3.830 3.542 3.078 3.882 0.052 15 0 "[ . 1 .]" 1
1195 1 48 LEU HA 1 48 LEU QD . . 3.740 2.641 1.958 3.339 . 0 0 "[ . 1 .]" 1
1196 1 43 VAL HA 1 44 ALA MB . . 4.560 3.637 3.388 3.929 . 0 0 "[ . 1 .]" 1
1197 1 86 VAL H 1 86 VAL MG2 . . 3.390 2.265 1.952 2.420 . 0 0 "[ . 1 .]" 1
1198 1 45 LEU QD 1 106 ALA MB . . 4.540 2.625 1.927 3.488 . 0 0 "[ . 1 .]" 1
1199 1 42 LEU QD 1 88 ARG H . . 4.650 4.704 4.685 4.717 0.067 13 0 "[ . 1 .]" 1
1200 1 42 LEU QD 1 86 VAL H . . 5.330 3.903 3.653 4.317 . 0 0 "[ . 1 .]" 1
1201 1 42 LEU QD 1 87 ASN HB2 . . 5.080 4.264 4.086 4.514 . 0 0 "[ . 1 .]" 1
1202 1 42 LEU QD 1 87 ASN HB3 . . 5.500 3.573 3.219 4.239 . 0 0 "[ . 1 .]" 1
1203 1 28 VAL QG 1 29 GLU HA . . 5.090 3.698 3.346 4.019 . 0 0 "[ . 1 .]" 1
1204 1 17 TYR HB2 1 42 LEU QD . . 5.500 4.681 4.238 5.399 . 0 0 "[ . 1 .]" 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 56
_Distance_constraint_stats_list.Viol_count 299
_Distance_constraint_stats_list.Viol_total 215.368
_Distance_constraint_stats_list.Viol_max 0.103
_Distance_constraint_stats_list.Viol_rms 0.0265
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0171
_Distance_constraint_stats_list.Viol_average_violations_only 0.0480
_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 18 ARG 0.434 0.091 1 0 "[ . 1 .]"
1 29 GLU 0.434 0.091 1 0 "[ . 1 .]"
1 43 VAL 1.781 0.089 5 0 "[ . 1 .]"
1 45 LEU 1.332 0.082 9 0 "[ . 1 .]"
1 53 ASP 0.516 0.069 12 0 "[ . 1 .]"
1 54 ASN 0.870 0.083 8 0 "[ . 1 .]"
1 55 ALA 0.064 0.064 7 0 "[ . 1 .]"
1 56 TRP 0.428 0.075 13 0 "[ . 1 .]"
1 57 SER 1.072 0.072 6 0 "[ . 1 .]"
1 58 VAL 1.325 0.083 8 0 "[ . 1 .]"
1 59 MET 0.079 0.064 7 0 "[ . 1 .]"
1 60 TYR 1.298 0.075 13 0 "[ . 1 .]"
1 61 LYS 1.125 0.072 6 0 "[ . 1 .]"
1 62 LEU 0.775 0.082 6 0 "[ . 1 .]"
1 63 SER 0.015 0.015 1 0 "[ . 1 .]"
1 64 GLN 1.897 0.079 5 0 "[ . 1 .]"
1 65 ALA 0.569 0.072 10 0 "[ . 1 .]"
1 66 LEU 0.321 0.070 6 0 "[ . 1 .]"
1 67 SER 0.000 0.000 . 0 "[ . 1 .]"
1 68 ASP 1.027 0.079 5 0 "[ . 1 .]"
1 74 SER 1.161 0.080 15 0 "[ . 1 .]"
1 76 LEU 0.928 0.081 11 0 "[ . 1 .]"
1 83 CYS 0.928 0.081 11 0 "[ . 1 .]"
1 84 LEU 1.332 0.082 9 0 "[ . 1 .]"
1 85 PHE 1.161 0.080 15 0 "[ . 1 .]"
1 86 VAL 1.781 0.089 5 0 "[ . 1 .]"
1 89 GLN 1.091 0.103 1 0 "[ . 1 .]"
1 90 ASP 0.328 0.090 1 0 "[ . 1 .]"
1 91 GLU 0.498 0.070 1 0 "[ . 1 .]"
1 92 PHE 0.738 0.074 6 0 "[ . 1 .]"
1 93 ALA 1.429 0.103 1 0 "[ . 1 .]"
1 94 ALA 0.367 0.090 1 0 "[ . 1 .]"
1 95 THR 0.498 0.070 1 0 "[ . 1 .]"
1 96 CYS 0.738 0.074 6 0 "[ . 1 .]"
1 97 ARG 0.338 0.061 4 0 "[ . 1 .]"
1 98 LEU 0.039 0.026 9 0 "[ . 1 .]"
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 53 ASP O 1 57 SER H . . 2.000 1.962 1.817 2.069 0.069 12 0 "[ . 1 .]" 2
2 1 53 ASP O 1 57 SER N . . 3.000 2.953 2.821 3.065 0.065 12 0 "[ . 1 .]" 2
3 1 54 ASN O 1 58 VAL H . . 2.000 1.991 1.848 2.070 0.070 4 0 "[ . 1 .]" 2
4 1 54 ASN O 1 58 VAL N . . 3.000 2.995 2.844 3.083 0.083 8 0 "[ . 1 .]" 2
5 1 55 ALA O 1 59 MET H . . 2.000 1.898 1.790 2.064 0.064 7 0 "[ . 1 .]" 2
6 1 55 ALA O 1 59 MET N . . 3.000 2.872 2.794 2.970 . 0 0 "[ . 1 .]" 2
7 1 56 TRP O 1 60 TYR H . . 2.000 1.951 1.816 2.075 0.075 13 0 "[ . 1 .]" 2
8 1 56 TRP O 1 60 TYR N . . 3.000 2.935 2.747 3.068 0.068 13 0 "[ . 1 .]" 2
9 1 57 SER O 1 61 LYS H . . 2.000 1.937 1.748 2.072 0.072 6 0 "[ . 1 .]" 2
10 1 57 SER O 1 61 LYS N . . 3.000 2.935 2.758 3.069 0.069 8 0 "[ . 1 .]" 2
11 1 58 VAL O 1 62 LEU H . . 2.000 1.952 1.820 2.082 0.082 6 0 "[ . 1 .]" 2
12 1 58 VAL O 1 62 LEU N . . 3.000 2.940 2.821 3.076 0.076 6 0 "[ . 1 .]" 2
13 1 59 MET O 1 63 SER H . . 2.000 1.866 1.761 2.015 0.015 1 0 "[ . 1 .]" 2
14 1 59 MET O 1 63 SER N . . 3.000 2.834 2.748 2.924 . 0 0 "[ . 1 .]" 2
15 1 60 TYR O 1 64 GLN H . . 2.000 2.010 1.886 2.067 0.067 4 0 "[ . 1 .]" 2
16 1 60 TYR O 1 64 GLN N . . 3.000 3.006 2.890 3.060 0.060 1 0 "[ . 1 .]" 2
17 1 61 LYS O 1 65 ALA H . . 2.000 1.984 1.846 2.068 0.068 10 0 "[ . 1 .]" 2
18 1 61 LYS O 1 65 ALA N . . 3.000 2.963 2.836 3.072 0.072 10 0 "[ . 1 .]" 2
19 1 62 LEU O 1 66 LEU H . . 2.000 1.933 1.727 2.070 0.070 6 0 "[ . 1 .]" 2
20 1 62 LEU O 1 66 LEU N . . 3.000 2.824 2.733 2.919 . 0 0 "[ . 1 .]" 2
21 1 63 SER O 1 67 SER H . . 2.000 1.916 1.871 1.960 . 0 0 "[ . 1 .]" 2
22 1 63 SER O 1 67 SER N . . 3.000 2.874 2.799 2.936 . 0 0 "[ . 1 .]" 2
23 1 64 GLN O 1 68 ASP H . . 2.000 2.032 1.907 2.079 0.079 5 0 "[ . 1 .]" 2
24 1 64 GLN O 1 68 ASP N . . 3.000 2.977 2.801 3.059 0.059 7 0 "[ . 1 .]" 2
25 1 89 GLN O 1 93 ALA H . . 2.000 2.013 1.891 2.103 0.103 1 0 "[ . 1 .]" 2
26 1 89 GLN O 1 93 ALA N . . 3.000 3.010 2.902 3.081 0.081 1 0 "[ . 1 .]" 2
27 1 90 ASP O 1 94 ALA H . . 2.000 1.931 1.717 2.090 0.090 1 0 "[ . 1 .]" 2
28 1 90 ASP O 1 94 ALA N . . 3.000 2.890 2.716 3.028 0.028 1 0 "[ . 1 .]" 2
29 1 91 GLU O 1 95 THR H . . 2.000 1.939 1.766 2.063 0.063 12 0 "[ . 1 .]" 2
30 1 91 GLU O 1 95 THR N . . 3.000 2.945 2.773 3.070 0.070 1 0 "[ . 1 .]" 2
31 1 92 PHE O 1 96 CYS H . . 2.000 1.992 1.814 2.074 0.074 6 0 "[ . 1 .]" 2
32 1 92 PHE O 1 96 CYS N . . 3.000 2.961 2.775 3.057 0.057 6 0 "[ . 1 .]" 2
33 1 93 ALA O 1 97 ARG H . . 2.000 1.987 1.883 2.061 0.061 4 0 "[ . 1 .]" 2
34 1 93 ALA O 1 97 ARG N . . 3.000 2.978 2.868 3.045 0.045 4 0 "[ . 1 .]" 2
35 1 94 ALA O 1 98 LEU H . . 2.000 1.868 1.765 2.013 0.013 9 0 "[ . 1 .]" 2
36 1 94 ALA O 1 98 LEU N . . 3.000 2.871 2.775 3.026 0.026 9 0 "[ . 1 .]" 2
37 1 76 LEU O 1 83 CYS H . . 2.000 1.964 1.827 2.071 0.071 14 0 "[ . 1 .]" 2
38 1 76 LEU O 1 83 CYS N . . 3.000 2.938 2.820 3.072 0.072 12 0 "[ . 1 .]" 2
39 1 76 LEU H 1 83 CYS O . . 2.000 1.981 1.849 2.075 0.075 3 0 "[ . 1 .]" 2
40 1 76 LEU N 1 83 CYS O . . 3.000 2.968 2.839 3.081 0.081 11 0 "[ . 1 .]" 2
41 1 74 SER H 1 85 PHE O . . 2.000 1.995 1.863 2.073 0.073 12 0 "[ . 1 .]" 2
42 1 74 SER N 1 85 PHE O . . 3.000 2.931 2.811 3.056 0.056 5 0 "[ . 1 .]" 2
43 1 74 SER O 1 85 PHE H . . 2.000 2.026 1.894 2.080 0.080 15 0 "[ . 1 .]" 2
44 1 74 SER O 1 85 PHE N . . 3.000 2.948 2.837 3.048 0.048 15 0 "[ . 1 .]" 2
45 1 43 VAL H 1 86 VAL O . . 2.000 1.884 1.781 2.047 0.047 7 0 "[ . 1 .]" 2
46 1 43 VAL N 1 86 VAL O . . 3.000 2.889 2.782 3.054 0.054 7 0 "[ . 1 .]" 2
47 1 43 VAL O 1 86 VAL H . . 2.000 2.058 2.039 2.089 0.089 5 0 "[ . 1 .]" 2
48 1 43 VAL O 1 86 VAL N . . 3.000 3.050 3.018 3.071 0.071 9 0 "[ . 1 .]" 2
49 1 45 LEU H 1 84 LEU O . . 2.000 1.906 1.826 2.075 0.075 5 0 "[ . 1 .]" 2
50 1 45 LEU N 1 84 LEU O . . 3.000 2.874 2.747 3.020 0.020 15 0 "[ . 1 .]" 2
51 1 45 LEU O 1 84 LEU H . . 2.000 2.031 1.877 2.082 0.082 9 0 "[ . 1 .]" 2
52 1 45 LEU O 1 84 LEU N . . 3.000 3.012 2.828 3.079 0.079 9 0 "[ . 1 .]" 2
53 1 18 ARG H 1 29 GLU O . . 2.000 1.880 1.778 2.054 0.054 14 0 "[ . 1 .]" 2
54 1 18 ARG N 1 29 GLU O . . 3.000 2.882 2.782 3.055 0.055 14 0 "[ . 1 .]" 2
55 1 18 ARG O 1 29 GLU H . . 2.000 1.953 1.884 2.091 0.091 1 0 "[ . 1 .]" 2
56 1 18 ARG O 1 29 GLU N . . 3.000 2.898 2.815 3.040 0.040 15 0 "[ . 1 .]" 2
stop_
save_
Contact the webmaster for help, if required. Saturday, May 4, 2024 6:07:25 AM GMT (wattos1)