NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
622302 |
5h3m   |
36026 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5h3m
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 854
_Distance_constraint_stats_list.Viol_count 1599
_Distance_constraint_stats_list.Viol_total 2360.726
_Distance_constraint_stats_list.Viol_max 1.736
_Distance_constraint_stats_list.Viol_rms 0.0442
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0069
_Distance_constraint_stats_list.Viol_average_violations_only 0.0738
_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 PRO 13.404 1.736 20 11 "[* * *** ***- * +]"
1 4 GLU 0.702 0.311 13 0 "[ . 1 . 2]"
1 5 PHE 6.283 1.232 19 2 "[ - 1 . +2]"
1 6 LEU 15.477 1.736 20 11 "[* * *** ***- * +]"
1 7 LYS 2.423 0.311 13 0 "[ . 1 . 2]"
1 8 ALA 6.899 1.232 19 2 "[ - 1 . +2]"
1 9 GLY 9.105 0.464 17 0 "[ . 1 . 2]"
1 10 LYS 1.360 0.181 17 0 "[ . 1 . 2]"
1 11 GLU 3.446 1.514 11 2 "[ . 1+- . 2]"
1 12 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 GLY 0.002 0.002 3 0 "[ . 1 . 2]"
1 14 LEU 0.036 0.025 20 0 "[ . 1 . 2]"
1 15 GLN 4.189 0.464 17 0 "[ . 1 . 2]"
1 16 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 TRP 5.081 0.390 7 0 "[ . 1 . 2]"
1 18 ARG 0.001 0.001 2 0 "[ . 1 . 2]"
1 19 VAL 3.775 0.214 6 0 "[ . 1 . 2]"
1 20 GLU 2.512 0.214 6 0 "[ . 1 . 2]"
1 21 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 PHE 0.186 0.069 15 0 "[ . 1 . 2]"
1 23 ASP 0.223 0.069 15 0 "[ . 1 . 2]"
1 24 LEU 0.037 0.017 3 0 "[ . 1 . 2]"
1 25 VAL 0.046 0.016 5 0 "[ . 1 . 2]"
1 26 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 VAL 0.028 0.028 4 0 "[ . 1 . 2]"
1 28 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 THR 0.086 0.027 15 0 "[ . 1 . 2]"
1 30 ASN 0.283 0.066 2 0 "[ . 1 . 2]"
1 31 LEU 3.554 0.127 2 0 "[ . 1 . 2]"
1 32 TYR 2.920 0.102 5 0 "[ . 1 . 2]"
1 33 GLY 1.168 0.097 20 0 "[ . 1 . 2]"
1 34 ASP 0.079 0.034 9 0 "[ . 1 . 2]"
1 35 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 PHE 0.502 0.092 2 0 "[ . 1 . 2]"
1 37 THR 2.009 0.214 10 0 "[ . 1 . 2]"
1 38 GLY 0.550 0.047 12 0 "[ . 1 . 2]"
1 39 ASP 0.869 0.091 13 0 "[ . 1 . 2]"
1 40 ALA 0.666 0.091 13 0 "[ . 1 . 2]"
1 41 TYR 0.154 0.092 2 0 "[ . 1 . 2]"
1 42 VAL 0.100 0.090 7 0 "[ . 1 . 2]"
1 43 ILE 3.705 0.146 6 0 "[ . 1 . 2]"
1 44 LEU 4.119 0.146 6 0 "[ . 1 . 2]"
1 45 LYS 0.193 0.036 5 0 "[ . 1 . 2]"
1 46 THR 3.317 0.241 9 0 "[ . 1 . 2]"
1 47 VAL 5.692 0.231 12 0 "[ . 1 . 2]"
1 48 GLN 3.526 0.231 12 0 "[ . 1 . 2]"
1 49 LEU 0.961 0.101 4 0 "[ . 1 . 2]"
1 50 ARG 4.606 0.143 11 0 "[ . 1 . 2]"
1 51 ASN 2.335 0.099 2 0 "[ . 1 . 2]"
1 52 GLY 0.594 0.080 1 0 "[ . 1 . 2]"
1 53 ASN 0.336 0.077 5 0 "[ . 1 . 2]"
1 54 LEU 4.639 1.514 11 2 "[ . 1+- . 2]"
1 55 GLN 0.142 0.021 18 0 "[ . 1 . 2]"
1 56 TYR 4.795 0.241 9 0 "[ . 1 . 2]"
1 57 ASP 0.191 0.036 5 0 "[ . 1 . 2]"
1 58 LEU 0.181 0.040 8 0 "[ . 1 . 2]"
1 59 HIS 0.145 0.051 11 0 "[ . 1 . 2]"
1 60 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 LEU 0.001 0.001 13 0 "[ . 1 . 2]"
1 63 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 ASN 2.893 0.079 11 0 "[ . 1 . 2]"
1 65 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 CYS 0.101 0.028 15 0 "[ . 1 . 2]"
1 67 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 GLN 0.594 0.068 15 0 "[ . 1 . 2]"
1 69 ASP 0.532 0.061 4 0 "[ . 1 . 2]"
1 70 GLU 1.198 0.079 3 0 "[ . 1 . 2]"
1 71 SER 1.121 0.079 3 0 "[ . 1 . 2]"
1 72 GLY 0.083 0.017 9 0 "[ . 1 . 2]"
1 73 ALA 0.364 0.030 1 0 "[ . 1 . 2]"
1 74 ALA 2.347 0.098 20 0 "[ . 1 . 2]"
1 75 ALA 1.753 0.098 20 0 "[ . 1 . 2]"
1 76 ILE 1.698 0.072 16 0 "[ . 1 . 2]"
1 77 PHE 0.291 0.043 10 0 "[ . 1 . 2]"
1 78 THR 1.072 0.115 19 0 "[ . 1 . 2]"
1 79 VAL 1.621 0.115 19 0 "[ . 1 . 2]"
1 80 GLN 0.980 0.182 14 0 "[ . 1 . 2]"
1 81 LEU 0.422 0.182 14 0 "[ . 1 . 2]"
1 82 ASP 2.989 0.130 5 0 "[ . 1 . 2]"
1 83 ASP 2.457 0.091 2 0 "[ . 1 . 2]"
1 84 TYR 0.717 0.055 7 0 "[ . 1 . 2]"
1 85 LEU 4.329 0.130 5 0 "[ . 1 . 2]"
1 86 ASN 4.732 0.129 5 0 "[ . 1 . 2]"
1 87 GLY 1.475 0.091 5 0 "[ . 1 . 2]"
1 88 ARG 3.755 0.138 20 0 "[ . 1 . 2]"
1 89 ALA 2.154 0.138 20 0 "[ . 1 . 2]"
1 90 VAL 0.096 0.064 3 0 "[ . 1 . 2]"
1 91 GLN 0.130 0.071 7 0 "[ . 1 . 2]"
1 92 HIS 0.393 0.040 8 0 "[ . 1 . 2]"
1 93 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 GLU 0.057 0.018 2 0 "[ . 1 . 2]"
1 95 VAL 0.003 0.002 13 0 "[ . 1 . 2]"
1 96 GLN 1.333 0.214 10 0 "[ . 1 . 2]"
1 97 GLY 0.212 0.035 20 0 "[ . 1 . 2]"
1 98 PHE 0.348 0.066 20 0 "[ . 1 . 2]"
1 99 GLU 0.101 0.035 3 0 "[ . 1 . 2]"
1 100 SER 0.030 0.030 8 0 "[ . 1 . 2]"
1 101 ALA 1.331 0.103 14 0 "[ . 1 . 2]"
1 102 THR 2.819 0.103 14 0 "[ . 1 . 2]"
1 103 PHE 1.942 0.099 3 0 "[ . 1 . 2]"
1 104 LEU 0.546 0.040 14 0 "[ . 1 . 2]"
1 105 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 TYR 0.803 0.092 13 0 "[ . 1 . 2]"
1 107 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 LYS 3.180 0.126 1 0 "[ . 1 . 2]"
1 109 SER 2.836 0.126 1 0 "[ . 1 . 2]"
1 110 GLY 0.588 0.067 1 0 "[ . 1 . 2]"
1 111 LEU 3.553 0.180 9 0 "[ . 1 . 2]"
1 112 LYS 2.996 0.180 9 0 "[ . 1 . 2]"
1 113 TYR 0.046 0.034 9 0 "[ . 1 . 2]"
1 114 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 GLY 0.016 0.009 12 0 "[ . 1 . 2]"
1 117 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 VAL 0.645 0.100 1 0 "[ . 1 . 2]"
1 119 ALA 1.505 0.100 1 0 "[ . 1 . 2]"
1 120 SER 6.426 0.304 7 0 "[ . 1 . 2]"
1 121 GLY 6.055 0.304 7 0 "[ . 1 . 2]"
1 122 PHE 0.331 0.056 1 0 "[ . 1 . 2]"
1 123 LYS 0.847 0.079 1 0 "[ . 1 . 2]"
1 124 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 VAL 0.056 0.023 8 0 "[ . 1 . 2]"
1 126 VAL 0.020 0.010 12 0 "[ . 1 . 2]"
1 127 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 128 ASN 0.378 0.109 17 0 "[ . 1 . 2]"
1 129 GLU 0.157 0.027 6 0 "[ . 1 . 2]"
1 130 VAL 0.383 0.092 10 0 "[ . 1 . 2]"
1 131 VAL 0.301 0.082 15 0 "[ . 1 . 2]"
1 132 VAL 0.978 0.045 4 0 "[ . 1 . 2]"
1 133 GLN 0.533 0.041 13 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 PRO HA 1 6 LEU H 3.500 . 3.500 4.077 3.000 5.236 1.736 20 11 "[* * *** ***- * +]" 1
2 1 4 GLU HA 1 7 LYS H 3.500 . 3.500 3.195 2.716 3.811 0.311 13 0 "[ . 1 . 2]" 1
3 1 4 GLU HA 1 5 PHE H 5.000 . 5.000 3.536 3.422 3.612 . 0 0 "[ . 1 . 2]" 1
4 1 4 GLU QB 1 5 PHE H 3.500 . 4.500 2.806 2.171 3.715 . 0 0 "[ . 1 . 2]" 1
5 1 4 GLU H 1 5 PHE H 3.500 . 3.500 2.645 2.359 2.979 . 0 0 "[ . 1 . 2]" 1
6 1 5 PHE H 1 5 PHE HA 2.900 . 2.900 2.848 2.783 2.934 0.034 13 0 "[ . 1 . 2]" 1
7 1 5 PHE HA 1 6 LEU H 3.500 . 3.500 3.536 3.490 3.581 0.081 19 0 "[ . 1 . 2]" 1
8 1 5 PHE HA 1 8 ALA H 3.500 . 3.500 3.713 2.838 4.732 1.232 19 2 "[ - 1 . +2]" 1
9 1 5 PHE H 1 5 PHE QB 2.900 . 3.500 2.394 2.224 2.893 . 0 0 "[ . 1 . 2]" 1
10 1 5 PHE QB 1 6 LEU H 5.000 . 6.000 2.928 2.561 3.570 . 0 0 "[ . 1 . 2]" 1
11 1 5 PHE H 1 5 PHE QD 3.500 . 5.500 3.189 1.770 4.218 0.030 9 0 "[ . 1 . 2]" 1
12 1 5 PHE H 1 6 LEU H 2.900 . 2.900 2.757 2.508 2.910 0.010 5 0 "[ . 1 . 2]" 1
13 1 6 LEU H 1 6 LEU HA 2.900 . 2.900 2.931 2.822 3.001 0.101 7 0 "[ . 1 . 2]" 1
14 1 6 LEU HA 1 7 LYS H 3.500 . 3.500 3.507 3.387 3.558 0.058 9 0 "[ . 1 . 2]" 1
15 1 6 LEU H 1 6 LEU QB 2.900 . 3.500 2.246 2.129 2.368 . 0 0 "[ . 1 . 2]" 1
16 1 6 LEU QB 1 7 LYS H 3.500 . 4.500 2.886 2.623 3.259 . 0 0 "[ . 1 . 2]" 1
17 1 6 LEU H 1 6 LEU QD 3.500 . 5.200 3.076 1.771 3.792 0.029 2 0 "[ . 1 . 2]" 1
18 1 6 LEU QD 1 7 LYS H 5.000 . 7.400 3.887 3.293 4.311 . 0 0 "[ . 1 . 2]" 1
19 1 6 LEU H 1 7 LYS H 2.900 . 2.900 2.490 2.192 2.837 . 0 0 "[ . 1 . 2]" 1
20 1 7 LYS HA 1 8 ALA H 3.500 . 3.500 3.513 2.934 3.602 0.102 14 0 "[ . 1 . 2]" 1
21 1 7 LYS H 1 7 LYS QB 3.500 . 4.100 2.394 2.141 3.055 . 0 0 "[ . 1 . 2]" 1
22 1 7 LYS QB 1 8 ALA H 5.000 . 6.000 2.674 2.078 3.839 . 0 0 "[ . 1 . 2]" 1
23 1 7 LYS H 1 7 LYS QG 3.500 . 4.500 3.241 1.808 4.067 . 0 0 "[ . 1 . 2]" 1
24 1 7 LYS QG 1 8 ALA H 5.000 . 6.000 4.002 1.860 4.483 . 0 0 "[ . 1 . 2]" 1
25 1 7 LYS H 1 8 ALA H 2.900 . 2.900 2.442 2.021 2.860 . 0 0 "[ . 1 . 2]" 1
26 1 8 ALA HA 1 10 LYS H 5.000 . 5.000 3.855 3.244 4.521 . 0 0 "[ . 1 . 2]" 1
27 1 8 ALA HA 1 15 GLN HE21 3.500 . 3.500 3.386 2.832 3.523 0.023 8 0 "[ . 1 . 2]" 1
28 1 8 ALA HA 1 9 GLY H 2.900 . 2.900 2.279 2.193 2.582 . 0 0 "[ . 1 . 2]" 1
29 1 8 ALA MB 1 15 GLN QE 5.000 . 6.500 3.759 3.015 4.169 . 0 0 "[ . 1 . 2]" 1
30 1 8 ALA H 1 8 ALA MB 2.900 . 4.000 2.628 2.207 2.953 . 0 0 "[ . 1 . 2]" 1
31 1 8 ALA MB 1 9 GLY H 3.500 . 5.000 2.970 2.497 3.747 . 0 0 "[ . 1 . 2]" 1
32 1 8 ALA H 1 9 GLY H 5.000 . 5.000 4.391 3.075 4.718 . 0 0 "[ . 1 . 2]" 1
33 1 9 GLY QA 1 10 LYS H 2.900 . 3.900 2.711 2.585 2.919 . 0 0 "[ . 1 . 2]" 1
34 1 9 GLY QA 1 11 GLU H 5.000 . 6.000 3.121 2.703 4.210 . 0 0 "[ . 1 . 2]" 1
35 1 9 GLY QA 1 17 TRP HH2 5.000 3.900 5.600 3.902 3.510 5.075 0.390 7 0 "[ . 1 . 2]" 1
36 1 9 GLY H 1 10 LYS H 3.500 . 3.500 2.708 2.095 2.993 . 0 0 "[ . 1 . 2]" 1
37 1 9 GLY H 1 11 GLU H 5.000 . 5.000 4.450 3.341 5.005 0.005 4 0 "[ . 1 . 2]" 1
38 1 9 GLY H 1 56 TYR QE 5.000 . 7.000 4.326 3.604 5.091 . 0 0 "[ . 1 . 2]" 1
39 1 9 GLY H 1 15 GLN QE 5.000 . 5.000 1.698 1.336 2.677 0.464 17 0 "[ . 1 . 2]" 1
40 1 9 GLY H 1 44 LEU QD 3.500 . 5.900 3.953 3.192 4.491 . 0 0 "[ . 1 . 2]" 1
41 1 10 LYS H 1 10 LYS HA 2.900 . 2.900 2.876 2.781 3.028 0.128 1 0 "[ . 1 . 2]" 1
42 1 10 LYS HA 1 11 GLU H 3.500 . 3.500 3.450 3.285 3.547 0.047 4 0 "[ . 1 . 2]" 1
43 1 10 LYS H 1 10 LYS QB 2.900 . 3.500 2.665 2.063 3.013 . 0 0 "[ . 1 . 2]" 1
44 1 10 LYS QB 1 11 GLU H 2.900 . 3.900 3.282 2.721 3.562 . 0 0 "[ . 1 . 2]" 1
45 1 10 LYS H 1 10 LYS QG 2.900 . 3.900 2.263 1.619 3.483 0.181 17 0 "[ . 1 . 2]" 1
46 1 10 LYS H 1 15 GLN HE21 5.000 . 5.000 3.134 1.929 4.419 . 0 0 "[ . 1 . 2]" 1
47 1 10 LYS H 1 44 LEU QD 5.000 . 7.400 5.723 5.200 6.345 . 0 0 "[ . 1 . 2]" 1
48 1 10 LYS H 1 56 TYR QE 5.000 . 7.000 4.608 3.689 5.583 . 0 0 "[ . 1 . 2]" 1
49 1 11 GLU H 1 11 GLU QB 3.500 . 4.100 3.000 2.210 3.421 . 0 0 "[ . 1 . 2]" 1
50 1 11 GLU H 1 11 GLU QG 3.500 . 4.500 2.915 1.905 4.076 . 0 0 "[ . 1 . 2]" 1
51 1 11 GLU H 1 46 THR MG 5.000 . 6.500 4.886 3.872 5.280 . 0 0 "[ . 1 . 2]" 1
52 1 11 GLU H 1 54 LEU QD 3.500 . 5.900 5.692 4.787 7.414 1.514 11 2 "[ . 1+- . 2]" 1
53 1 12 PRO HA 1 13 GLY H 2.900 . 2.900 2.288 2.198 2.578 . 0 0 "[ . 1 . 2]" 1
54 1 12 PRO HA 1 46 THR H 5.000 . 5.000 4.295 3.878 4.876 . 0 0 "[ . 1 . 2]" 1
55 1 12 PRO QB 1 13 GLY H 3.500 . 4.500 3.159 2.339 3.514 . 0 0 "[ . 1 . 2]" 1
56 1 13 GLY QA 1 14 LEU H 2.900 . 3.900 2.258 2.159 2.326 . 0 0 "[ . 1 . 2]" 1
57 1 13 GLY H 1 14 LEU H 5.000 . 5.000 4.470 4.394 4.600 . 0 0 "[ . 1 . 2]" 1
58 1 13 GLY H 1 45 LYS HA 5.000 . 5.000 4.535 4.027 5.002 0.002 3 0 "[ . 1 . 2]" 1
59 1 13 GLY H 1 46 THR HB 2.900 . 2.900 2.430 1.943 2.897 . 0 0 "[ . 1 . 2]" 1
60 1 13 GLY H 1 46 THR MG 3.500 . 5.000 3.582 2.556 4.105 . 0 0 "[ . 1 . 2]" 1
61 1 13 GLY H 1 46 THR H 3.500 . 3.500 3.078 2.692 3.410 . 0 0 "[ . 1 . 2]" 1
62 1 14 LEU HA 1 15 GLN H 2.900 . 2.900 2.249 2.186 2.291 . 0 0 "[ . 1 . 2]" 1
63 1 14 LEU HA 1 46 THR H 5.000 . 5.000 3.449 2.928 3.737 . 0 0 "[ . 1 . 2]" 1
64 1 16 ILE HA 1 44 LEU H 5.000 . 5.000 3.882 3.621 4.050 . 0 0 "[ . 1 . 2]" 1
65 1 14 LEU H 1 14 LEU QB 2.900 . 3.500 2.511 2.413 2.624 . 0 0 "[ . 1 . 2]" 1
66 1 14 LEU QB 1 15 GLN H 3.500 . 4.500 3.665 3.560 3.903 . 0 0 "[ . 1 . 2]" 1
67 1 14 LEU QD 1 106 TYR H 5.000 . 7.400 5.146 4.806 5.282 . 0 0 "[ . 1 . 2]" 1
68 1 14 LEU QD 1 15 GLN H 3.500 . 5.900 2.925 2.453 3.519 . 0 0 "[ . 1 . 2]" 1
69 1 14 LEU QD 1 44 LEU H 5.000 . 7.400 3.777 3.252 4.065 . 0 0 "[ . 1 . 2]" 1
70 1 14 LEU QD 1 45 LYS H 5.000 . 7.400 4.788 4.357 5.203 . 0 0 "[ . 1 . 2]" 1
71 1 14 LEU QD 1 46 THR H 5.000 . 7.400 5.227 4.836 5.469 . 0 0 "[ . 1 . 2]" 1
72 1 14 LEU H 1 14 LEU HG 5.000 . 5.000 4.535 4.476 4.652 . 0 0 "[ . 1 . 2]" 1
73 1 15 GLN HA 1 16 ILE H 2.900 . 2.900 2.316 2.236 2.442 . 0 0 "[ . 1 . 2]" 1
74 1 15 GLN H 1 15 GLN QB 3.500 . 4.100 2.678 2.549 2.826 . 0 0 "[ . 1 . 2]" 1
75 1 15 GLN QE 1 44 LEU QD 5.000 . 8.000 4.161 2.654 5.093 . 0 0 "[ . 1 . 2]" 1
76 1 15 GLN H 1 16 ILE H 5.000 . 5.000 4.497 4.391 4.649 . 0 0 "[ . 1 . 2]" 1
77 1 15 GLN H 1 44 LEU H 5.000 . 5.000 2.681 2.567 2.973 . 0 0 "[ . 1 . 2]" 1
78 1 16 ILE HA 1 17 TRP H 2.900 . 2.900 2.231 2.189 2.320 . 0 0 "[ . 1 . 2]" 1
79 1 16 ILE HB 1 17 TRP H 5.000 . 5.000 3.885 3.454 4.243 . 0 0 "[ . 1 . 2]" 1
80 1 16 ILE MD 1 17 TRP H 5.000 . 6.500 5.060 4.786 5.350 . 0 0 "[ . 1 . 2]" 1
81 1 16 ILE MG 1 42 VAL H 5.000 . 6.500 4.141 3.626 4.753 . 0 0 "[ . 1 . 2]" 1
82 1 16 ILE MD 1 33 GLY H 5.000 . 6.500 4.058 3.459 5.066 . 0 0 "[ . 1 . 2]" 1
83 1 16 ILE MG 1 17 TRP H 3.500 . 5.000 2.452 2.049 2.986 . 0 0 "[ . 1 . 2]" 1
84 1 17 TRP HA 1 18 ARG H 2.900 . 2.900 2.207 2.191 2.300 . 0 0 "[ . 1 . 2]" 1
85 1 17 TRP HA 1 27 VAL H 3.500 . 3.500 3.172 2.522 3.485 . 0 0 "[ . 1 . 2]" 1
86 1 17 TRP H 1 17 TRP QB 3.500 . 4.100 2.848 2.783 3.199 . 0 0 "[ . 1 . 2]" 1
87 1 17 TRP QB 1 18 ARG H 3.500 . 4.500 3.418 2.838 3.543 . 0 0 "[ . 1 . 2]" 1
88 1 17 TRP QB 1 25 VAL H 3.500 . 4.500 3.570 3.172 3.822 . 0 0 "[ . 1 . 2]" 1
89 1 17 TRP HH2 1 44 LEU H 5.000 . 5.000 4.938 4.597 5.062 0.062 6 0 "[ . 1 . 2]" 1
90 1 17 TRP H 1 43 ILE HA 5.000 . 5.000 3.443 3.224 3.861 . 0 0 "[ . 1 . 2]" 1
91 1 17 TRP H 1 42 VAL H 5.000 . 5.000 3.300 3.022 3.841 . 0 0 "[ . 1 . 2]" 1
92 1 18 ARG HA 1 19 VAL H 2.900 . 2.900 2.247 2.203 2.290 . 0 0 "[ . 1 . 2]" 1
93 1 18 ARG HA 1 42 VAL H 5.000 . 5.000 3.097 2.603 3.313 . 0 0 "[ . 1 . 2]" 1
94 1 18 ARG H 1 18 ARG QB 3.500 . 4.100 2.313 2.214 2.443 . 0 0 "[ . 1 . 2]" 1
95 1 18 ARG H 1 18 ARG QG 3.500 . 4.500 3.727 2.345 4.083 . 0 0 "[ . 1 . 2]" 1
96 1 18 ARG QG 1 19 VAL H 3.500 . 4.500 2.568 1.953 3.450 . 0 0 "[ . 1 . 2]" 1
97 1 18 ARG H 1 19 VAL H 5.000 . 5.000 4.646 4.521 4.705 . 0 0 "[ . 1 . 2]" 1
98 1 18 ARG H 1 25 VAL H 3.500 . 3.500 3.111 2.715 3.501 0.001 2 0 "[ . 1 . 2]" 1
99 1 18 ARG H 1 26 PRO HA 3.500 . 3.500 3.307 2.936 3.492 . 0 0 "[ . 1 . 2]" 1
100 1 18 ARG H 1 27 VAL QG 3.500 . 5.900 3.605 2.042 4.460 . 0 0 "[ . 1 . 2]" 1
101 1 18 ARG H 1 27 VAL H 5.000 . 5.000 3.408 2.765 4.318 . 0 0 "[ . 1 . 2]" 1
102 1 19 VAL HA 1 20 GLU H 2.900 . 2.900 2.243 2.210 2.253 . 0 0 "[ . 1 . 2]" 1
103 1 19 VAL HA 1 25 VAL H 5.000 . 5.000 3.525 2.932 3.911 . 0 0 "[ . 1 . 2]" 1
104 1 19 VAL H 1 19 VAL HB 2.900 . 2.900 2.951 2.885 3.033 0.133 6 0 "[ . 1 . 2]" 1
105 1 19 VAL HB 1 20 GLU H 3.500 . 3.500 3.626 3.605 3.714 0.214 6 0 "[ . 1 . 2]" 1
106 1 19 VAL H 1 19 VAL QG 2.900 . 4.600 1.868 1.744 2.159 0.056 6 0 "[ . 1 . 2]" 1
107 1 19 VAL QG 1 20 GLU H 3.500 . 5.900 2.399 2.284 2.453 . 0 0 "[ . 1 . 2]" 1
108 1 19 VAL QG 1 23 ASP H 5.000 . 7.400 3.443 2.460 4.103 . 0 0 "[ . 1 . 2]" 1
109 1 19 VAL QG 1 24 LEU H 2.900 . 5.300 3.400 3.033 3.572 . 0 0 "[ . 1 . 2]" 1
110 1 19 VAL H 1 41 TYR HA 5.000 . 5.000 3.069 2.803 3.587 . 0 0 "[ . 1 . 2]" 1
111 1 20 GLU HA 1 21 LYS H 3.500 . 3.500 2.245 2.184 2.386 . 0 0 "[ . 1 . 2]" 1
112 1 20 GLU QB 1 21 LYS H 3.500 . 4.500 3.927 3.567 4.079 . 0 0 "[ . 1 . 2]" 1
113 1 20 GLU QB 1 23 ASP H 3.500 . 4.500 3.585 3.273 3.923 . 0 0 "[ . 1 . 2]" 1
114 1 20 GLU H 1 23 ASP H 5.000 . 5.000 2.549 2.159 3.193 . 0 0 "[ . 1 . 2]" 1
115 1 20 GLU H 1 25 VAL H 5.000 . 5.000 4.668 4.292 4.989 . 0 0 "[ . 1 . 2]" 1
116 1 21 LYS H 1 21 LYS QB 2.900 . 3.500 2.999 2.823 3.123 . 0 0 "[ . 1 . 2]" 1
117 1 22 PHE H 1 22 PHE QB 3.500 . 4.100 3.329 2.866 3.540 . 0 0 "[ . 1 . 2]" 1
118 1 22 PHE QB 1 23 ASP H 5.000 . 6.000 3.793 3.640 3.939 . 0 0 "[ . 1 . 2]" 1
119 1 22 PHE H 1 23 ASP H 3.500 . 3.500 2.418 1.731 2.875 0.069 15 0 "[ . 1 . 2]" 1
120 1 23 ASP HA 1 24 LEU H 3.500 . 3.500 3.081 2.190 3.517 0.017 3 0 "[ . 1 . 2]" 1
121 1 23 ASP H 1 23 ASP QB 3.500 . 4.100 2.654 2.369 3.179 . 0 0 "[ . 1 . 2]" 1
122 1 23 ASP QB 1 24 LEU H 2.900 . 3.900 3.169 2.849 3.528 . 0 0 "[ . 1 . 2]" 1
123 1 24 LEU HA 1 25 VAL H 2.900 . 2.900 2.233 2.177 2.401 . 0 0 "[ . 1 . 2]" 1
124 1 24 LEU H 1 24 LEU QB 3.500 . 4.100 2.924 2.191 3.376 . 0 0 "[ . 1 . 2]" 1
125 1 24 LEU QD 1 25 VAL H 5.000 . 7.400 3.518 2.302 4.183 . 0 0 "[ . 1 . 2]" 1
126 1 25 VAL H 1 25 VAL HB 2.900 . 2.900 2.816 2.674 2.916 0.016 5 0 "[ . 1 . 2]" 1
127 1 25 VAL H 1 25 VAL QG 2.900 . 4.600 2.960 2.619 3.222 . 0 0 "[ . 1 . 2]" 1
128 1 26 PRO HA 1 27 VAL H 2.900 . 2.900 2.233 2.191 2.398 . 0 0 "[ . 1 . 2]" 1
129 1 26 PRO QB 1 27 VAL H 5.000 . 6.000 3.320 2.713 3.658 . 0 0 "[ . 1 . 2]" 1
130 1 27 VAL H 1 27 VAL HB 2.900 . 2.900 2.545 2.248 2.928 0.028 4 0 "[ . 1 . 2]" 1
131 1 27 VAL H 1 27 VAL QG 2.900 . 4.600 2.203 1.829 2.773 . 0 0 "[ . 1 . 2]" 1
132 1 28 PRO HA 1 29 THR H 2.900 . 2.900 2.237 2.189 2.354 . 0 0 "[ . 1 . 2]" 1
133 1 28 PRO QB 1 29 THR H 3.500 . 4.500 3.557 3.209 3.856 . 0 0 "[ . 1 . 2]" 1
134 1 28 PRO QB 1 30 ASN H 3.500 . 4.500 3.107 2.589 3.474 . 0 0 "[ . 1 . 2]" 1
135 1 29 THR H 1 29 THR HA 2.900 . 2.900 2.874 2.820 2.927 0.027 15 0 "[ . 1 . 2]" 1
136 1 29 THR HA 1 31 LEU H 5.000 . 5.000 4.078 3.711 4.819 . 0 0 "[ . 1 . 2]" 1
137 1 29 THR HA 1 32 TYR H 3.500 . 3.500 3.379 2.976 3.507 0.007 13 0 "[ . 1 . 2]" 1
138 1 29 THR H 1 29 THR HB 3.500 . 3.500 2.647 2.364 2.962 . 0 0 "[ . 1 . 2]" 1
139 1 29 THR HB 1 30 ASN H 3.500 . 3.500 2.926 2.583 3.282 . 0 0 "[ . 1 . 2]" 1
140 1 29 THR H 1 29 THR MG 2.900 . 4.400 3.757 3.672 3.782 . 0 0 "[ . 1 . 2]" 1
141 1 29 THR MG 1 30 ASN H 5.000 . 6.500 3.805 3.415 4.086 . 0 0 "[ . 1 . 2]" 1
142 1 30 ASN H 1 30 ASN HA 2.900 . 2.900 2.845 2.789 2.966 0.066 2 0 "[ . 1 . 2]" 1
143 1 30 ASN H 1 30 ASN QB 2.900 . 3.500 2.399 2.077 2.835 . 0 0 "[ . 1 . 2]" 1
144 1 30 ASN QB 1 31 LEU H 5.000 . 6.000 2.660 2.235 3.604 . 0 0 "[ . 1 . 2]" 1
145 1 30 ASN H 1 31 LEU H 2.900 . 2.900 2.820 2.390 2.920 0.020 4 0 "[ . 1 . 2]" 1
146 1 31 LEU H 1 31 LEU HA 2.900 . 2.900 2.993 2.948 3.027 0.127 2 0 "[ . 1 . 2]" 1
147 1 31 LEU HA 1 32 TYR H 3.500 . 3.500 3.515 3.179 3.602 0.102 5 0 "[ . 1 . 2]" 1
148 1 31 LEU H 1 31 LEU QB 2.900 . 3.500 2.397 2.182 2.806 . 0 0 "[ . 1 . 2]" 1
149 1 31 LEU QB 1 32 TYR H 5.000 . 6.000 2.559 2.195 3.606 . 0 0 "[ . 1 . 2]" 1
150 1 31 LEU H 1 31 LEU QD 3.500 . 5.200 2.647 1.863 3.901 . 0 0 "[ . 1 . 2]" 1
151 1 31 LEU QD 1 32 TYR H 5.000 . 7.400 3.828 3.487 4.518 . 0 0 "[ . 1 . 2]" 1
152 1 31 LEU H 1 32 TYR H 2.900 . 2.900 2.418 1.990 2.681 . 0 0 "[ . 1 . 2]" 1
153 1 32 TYR H 1 32 TYR HA 2.900 . 2.900 2.480 2.360 2.971 0.071 20 0 "[ . 1 . 2]" 1
154 1 32 TYR H 1 32 TYR QB 2.900 . 3.500 2.805 2.289 3.028 . 0 0 "[ . 1 . 2]" 1
155 1 32 TYR QB 1 33 GLY H 5.000 . 6.000 3.656 1.873 4.046 . 0 0 "[ . 1 . 2]" 1
156 1 32 TYR H 1 32 TYR QD 2.900 . 4.900 3.720 1.769 4.377 0.031 2 0 "[ . 1 . 2]" 1
157 1 32 TYR QD 1 33 GLY H 5.000 . 7.000 3.794 1.790 4.386 0.010 20 0 "[ . 1 . 2]" 1
158 1 32 TYR H 1 33 GLY H 3.500 . 3.500 3.556 3.502 3.597 0.097 20 0 "[ . 1 . 2]" 1
159 1 33 GLY QA 1 34 ASP H 2.900 . 3.900 2.882 2.826 2.957 . 0 0 "[ . 1 . 2]" 1
160 1 33 GLY H 1 34 ASP H 2.900 . 2.900 2.439 1.808 2.934 0.034 9 0 "[ . 1 . 2]" 1
161 1 34 ASP HA 1 112 LYS H 3.500 . 3.500 3.388 2.691 3.515 0.015 4 0 "[ . 1 . 2]" 1
162 1 34 ASP HA 1 35 PHE H 3.500 . 3.500 2.265 2.196 2.448 . 0 0 "[ . 1 . 2]" 1
163 1 34 ASP H 1 34 ASP QB 2.900 . 3.500 2.496 2.256 2.852 . 0 0 "[ . 1 . 2]" 1
164 1 35 PHE HA 1 36 PHE H 2.900 . 2.900 2.316 2.180 2.473 . 0 0 "[ . 1 . 2]" 1
165 1 35 PHE H 1 114 LYS H 5.000 . 5.000 3.993 3.733 4.254 . 0 0 "[ . 1 . 2]" 1
166 1 35 PHE H 1 113 TYR HA 5.000 . 5.000 4.162 3.798 4.497 . 0 0 "[ . 1 . 2]" 1
167 1 35 PHE QB 1 36 PHE H 5.000 . 6.000 2.865 2.424 3.470 . 0 0 "[ . 1 . 2]" 1
168 1 36 PHE HA 1 114 LYS H 3.500 . 3.500 2.595 2.197 3.237 . 0 0 "[ . 1 . 2]" 1
169 1 36 PHE HA 1 37 THR H 2.900 . 2.900 2.237 2.184 2.391 . 0 0 "[ . 1 . 2]" 1
170 1 36 PHE HA 1 38 GLY H 5.000 . 5.000 4.291 3.320 5.047 0.047 12 0 "[ . 1 . 2]" 1
171 1 36 PHE H 1 36 PHE QB 3.500 . 4.100 2.397 2.107 2.788 . 0 0 "[ . 1 . 2]" 1
172 1 36 PHE QB 1 37 THR H 5.000 . 6.000 3.419 2.649 3.981 . 0 0 "[ . 1 . 2]" 1
173 1 36 PHE QD 1 116 GLY H 5.000 . 7.000 4.317 2.422 5.824 . 0 0 "[ . 1 . 2]" 1
174 1 36 PHE QD 1 117 GLY H 5.000 . 7.000 4.901 3.419 5.860 . 0 0 "[ . 1 . 2]" 1
175 1 36 PHE H 1 41 TYR QE 2.900 . 5.400 2.370 1.708 3.226 0.092 2 0 "[ . 1 . 2]" 1
176 1 36 PHE QD 1 37 THR H 5.000 . 7.000 4.351 2.558 4.735 . 0 0 "[ . 1 . 2]" 1
177 1 36 PHE QD 1 38 GLY H 5.000 . 7.000 4.989 4.110 6.029 . 0 0 "[ . 1 . 2]" 1
178 1 37 THR HA 1 38 GLY H 5.000 . 5.000 3.024 2.289 3.606 . 0 0 "[ . 1 . 2]" 1
179 1 37 THR HA 1 63 GLY H 5.000 . 5.000 2.842 2.367 3.144 . 0 0 "[ . 1 . 2]" 1
180 1 37 THR HA 1 64 ASN H 5.000 . 5.000 5.043 5.018 5.079 0.079 11 0 "[ . 1 . 2]" 1
181 1 37 THR HB 1 64 ASN H 5.000 . 5.000 5.037 4.912 5.076 0.076 20 0 "[ . 1 . 2]" 1
182 1 37 THR HB 1 65 GLU H 3.500 . 3.500 3.453 3.293 3.495 . 0 0 "[ . 1 . 2]" 1
183 1 37 THR H 1 37 THR MG 2.900 . 4.400 2.202 1.745 2.905 0.055 8 0 "[ . 1 . 2]" 1
184 1 37 THR MG 1 38 GLY H 5.000 . 6.500 4.183 3.863 4.351 . 0 0 "[ . 1 . 2]" 1
185 1 37 THR MG 1 112 LYS H 5.000 . 6.500 5.435 5.368 5.491 . 0 0 "[ . 1 . 2]" 1
186 1 37 THR MG 1 114 LYS H 5.000 . 6.500 2.885 1.848 3.751 . 0 0 "[ . 1 . 2]" 1
187 1 37 THR H 1 114 LYS H 5.000 . 5.000 2.803 2.198 3.884 . 0 0 "[ . 1 . 2]" 1
188 1 37 THR H 1 115 LYS HA 5.000 . 5.000 4.096 3.046 4.777 . 0 0 "[ . 1 . 2]" 1
189 1 37 THR H 1 116 GLY H 5.000 . 5.000 4.803 3.581 5.009 0.009 12 0 "[ . 1 . 2]" 1
190 1 37 THR H 1 38 GLY H 5.000 . 5.000 3.188 2.045 4.160 . 0 0 "[ . 1 . 2]" 1
191 1 38 GLY QA 1 39 ASP H 3.500 . 4.500 2.866 2.813 2.949 . 0 0 "[ . 1 . 2]" 1
192 1 38 GLY QA 1 65 GLU H 3.500 . 4.500 3.688 3.611 3.767 . 0 0 "[ . 1 . 2]" 1
193 1 38 GLY QA 1 66 CYS H 3.500 . 4.500 3.545 3.288 3.619 . 0 0 "[ . 1 . 2]" 1
194 1 38 GLY H 1 39 ASP H 2.900 . 2.900 2.304 1.773 2.916 0.027 12 0 "[ . 1 . 2]" 1
195 1 39 ASP HA 1 40 ALA H 2.900 . 2.900 2.864 2.529 2.965 0.065 18 0 "[ . 1 . 2]" 1
196 1 39 ASP H 1 39 ASP QB 2.900 . 3.500 2.602 2.357 2.938 . 0 0 "[ . 1 . 2]" 1
197 1 39 ASP QB 1 40 ALA H 3.500 . 4.500 2.142 1.709 3.062 0.091 13 0 "[ . 1 . 2]" 1
198 1 40 ALA HA 1 41 TYR H 2.900 . 2.900 2.252 2.232 2.321 . 0 0 "[ . 1 . 2]" 1
199 1 40 ALA HA 1 63 GLY H 5.000 . 5.000 4.329 3.992 4.557 . 0 0 "[ . 1 . 2]" 1
200 1 40 ALA MB 1 41 TYR H 2.900 . 4.400 2.892 2.696 2.993 . 0 0 "[ . 1 . 2]" 1
201 1 40 ALA MB 1 63 GLY H 5.000 . 6.500 5.280 4.820 5.365 . 0 0 "[ . 1 . 2]" 1
202 1 40 ALA MB 1 71 SER H 5.000 . 6.500 4.275 3.916 4.681 . 0 0 "[ . 1 . 2]" 1
203 1 41 TYR H 1 61 TRP H 3.500 . 3.500 2.860 2.517 3.269 . 0 0 "[ . 1 . 2]" 1
204 1 41 TYR H 1 61 TRP HE3 5.000 2.800 5.000 3.996 3.229 4.989 . 0 0 "[ . 1 . 2]" 1
205 1 41 TYR HA 1 42 VAL H 2.900 . 2.900 2.217 2.179 2.437 . 0 0 "[ . 1 . 2]" 1
206 1 41 TYR H 1 41 TYR QB 3.500 . 4.100 2.508 2.349 2.708 . 0 0 "[ . 1 . 2]" 1
207 1 41 TYR QB 1 42 VAL H 3.500 . 4.500 3.196 2.445 3.499 . 0 0 "[ . 1 . 2]" 1
208 1 41 TYR H 1 41 TYR QD 3.500 . 5.500 2.627 2.214 3.370 . 0 0 "[ . 1 . 2]" 1
209 1 41 TYR QD 1 42 VAL H 5.000 . 7.000 4.262 3.744 4.614 . 0 0 "[ . 1 . 2]" 1
210 1 41 TYR H 1 41 TYR QE 5.000 . 7.000 4.881 4.381 5.622 . 0 0 "[ . 1 . 2]" 1
211 1 42 VAL HA 1 43 ILE H 2.900 . 2.900 2.213 2.177 2.266 . 0 0 "[ . 1 . 2]" 1
212 1 42 VAL HA 1 61 TRP H 5.000 . 5.000 3.690 3.164 4.034 . 0 0 "[ . 1 . 2]" 1
213 1 42 VAL H 1 42 VAL HB 3.500 . 3.500 2.672 2.366 3.590 0.090 7 0 "[ . 1 . 2]" 1
214 1 42 VAL H 1 42 VAL QG 2.900 . 4.600 2.377 1.790 2.836 0.010 7 0 "[ . 1 . 2]" 1
215 1 42 VAL QG 1 43 ILE H 2.900 . 5.300 2.718 2.214 3.423 . 0 0 "[ . 1 . 2]" 1
216 1 42 VAL QG 1 60 TYR H 5.000 . 7.400 4.666 4.127 4.947 . 0 0 "[ . 1 . 2]" 1
217 1 42 VAL QG 1 61 TRP H 5.000 . 7.400 4.294 3.841 4.566 . 0 0 "[ . 1 . 2]" 1
218 1 42 VAL QG 1 74 ALA H 5.000 . 7.400 5.019 4.765 5.237 . 0 0 "[ . 1 . 2]" 1
219 1 42 VAL QG 1 77 PHE H 5.000 . 7.400 5.195 4.787 5.471 . 0 0 "[ . 1 . 2]" 1
220 1 42 VAL QG 1 78 THR H 3.500 . 5.900 3.766 3.466 4.073 . 0 0 "[ . 1 . 2]" 1
221 1 42 VAL H 1 43 ILE H 5.000 . 5.000 4.475 4.297 4.616 . 0 0 "[ . 1 . 2]" 1
222 1 43 ILE H 1 59 HIS H 3.500 . 3.500 2.920 2.394 3.516 0.016 6 0 "[ . 1 . 2]" 1
223 1 43 ILE H 1 60 TYR HA 5.000 . 5.000 3.405 2.526 3.795 . 0 0 "[ . 1 . 2]" 1
224 1 43 ILE HA 1 44 LEU H 2.900 . 2.900 2.243 2.202 2.266 . 0 0 "[ . 1 . 2]" 1
225 1 43 ILE H 1 43 ILE HB 3.500 . 3.500 3.101 2.948 3.401 . 0 0 "[ . 1 . 2]" 1
226 1 43 ILE HB 1 44 LEU H 3.500 . 3.500 3.538 3.328 3.617 0.117 7 0 "[ . 1 . 2]" 1
227 1 43 ILE HB 1 59 HIS H 5.000 . 5.000 3.734 3.196 4.522 . 0 0 "[ . 1 . 2]" 1
228 1 43 ILE H 1 43 ILE MD 3.500 . 5.000 3.773 3.600 3.936 . 0 0 "[ . 1 . 2]" 1
229 1 43 ILE MD 1 61 TRP H 3.500 . 5.000 4.107 3.697 4.612 . 0 0 "[ . 1 . 2]" 1
230 1 43 ILE HG13 1 44 LEU H 5.000 . 5.000 5.112 5.060 5.146 0.146 6 0 "[ . 1 . 2]" 1
231 1 43 ILE HG12 1 44 LEU H 5.000 . 5.000 4.889 4.754 5.100 0.100 15 0 "[ . 1 . 2]" 1
232 1 44 LEU HA 1 45 LYS H 2.900 . 2.900 2.290 2.191 2.544 . 0 0 "[ . 1 . 2]" 1
233 1 44 LEU HA 1 59 HIS H 5.000 . 5.000 3.778 2.783 4.095 . 0 0 "[ . 1 . 2]" 1
234 1 44 LEU QB 1 45 LYS H 3.500 . 4.500 3.158 2.373 3.538 . 0 0 "[ . 1 . 2]" 1
235 1 44 LEU H 1 44 LEU QD 2.900 . 4.600 3.032 1.701 3.424 0.099 8 0 "[ . 1 . 2]" 1
236 1 44 LEU QD 1 57 ASP H 3.500 . 5.900 4.275 3.341 4.544 . 0 0 "[ . 1 . 2]" 1
237 1 44 LEU QD 1 59 HIS H 3.500 . 5.900 3.471 3.194 4.486 . 0 0 "[ . 1 . 2]" 1
238 1 45 LYS HA 1 46 THR H 2.900 . 2.900 2.262 2.234 2.273 . 0 0 "[ . 1 . 2]" 1
239 1 58 LEU H 1 91 GLN HA . . 3.500 3.228 2.370 3.492 . 0 0 "[ . 1 . 2]" 1
240 1 45 LYS H 1 45 LYS QB 2.900 . 3.500 2.589 2.422 2.755 . 0 0 "[ . 1 . 2]" 1
241 1 45 LYS QB 1 46 THR H 3.500 . 4.500 3.983 3.958 4.036 . 0 0 "[ . 1 . 2]" 1
242 1 45 LYS QB 1 57 ASP H 3.500 . 4.500 2.691 2.392 3.821 . 0 0 "[ . 1 . 2]" 1
243 1 45 LYS H 1 45 LYS QE 5.000 . 6.000 4.891 4.273 5.276 . 0 0 "[ . 1 . 2]" 1
244 1 45 LYS QG 1 46 THR H 3.500 . 4.500 3.550 3.359 3.658 . 0 0 "[ . 1 . 2]" 1
245 1 45 LYS H 1 57 ASP H 3.500 . 3.500 1.992 1.764 2.647 0.036 5 0 "[ . 1 . 2]" 1
246 1 46 THR HA 1 47 VAL H 2.900 . 2.900 2.210 2.170 2.248 . 0 0 "[ . 1 . 2]" 1
247 1 46 THR HA 1 57 ASP H 5.000 . 5.000 3.584 2.308 3.906 . 0 0 "[ . 1 . 2]" 1
248 1 46 THR H 1 46 THR HB 3.500 . 3.500 2.598 2.151 3.204 . 0 0 "[ . 1 . 2]" 1
249 1 46 THR H 1 46 THR MG 3.500 . 5.000 3.717 3.486 3.804 . 0 0 "[ . 1 . 2]" 1
250 1 46 THR MG 1 47 VAL H 2.900 . 4.400 3.212 2.670 3.573 . 0 0 "[ . 1 . 2]" 1
251 1 46 THR H 1 47 VAL H 5.000 . 5.000 4.396 4.231 4.592 . 0 0 "[ . 1 . 2]" 1
252 1 46 THR H 1 56 TYR HA 3.500 . 3.500 3.666 3.610 3.741 0.241 9 0 "[ . 1 . 2]" 1
253 1 47 VAL HA 1 48 GLN H 3.500 . 3.500 2.419 2.391 2.432 . 0 0 "[ . 1 . 2]" 1
254 1 47 VAL H 1 47 VAL HB 2.900 . 2.900 3.003 2.948 3.032 0.132 13 0 "[ . 1 . 2]" 1
255 1 47 VAL HB 1 48 GLN H 2.900 . 2.900 3.076 3.059 3.131 0.231 12 0 "[ . 1 . 2]" 1
256 1 47 VAL HB 1 55 GLN H 3.500 . 3.500 3.467 3.215 3.521 0.021 18 0 "[ . 1 . 2]" 1
257 1 47 VAL QG 1 48 GLN H 2.900 . 5.300 1.983 1.809 2.057 . 0 0 "[ . 1 . 2]" 1
258 1 47 VAL QG 1 55 GLN H 2.900 . 5.300 3.244 3.117 3.379 . 0 0 "[ . 1 . 2]" 1
259 1 47 VAL H 1 55 GLN H 3.500 . 3.500 2.384 2.144 2.550 . 0 0 "[ . 1 . 2]" 1
260 1 48 GLN HA 1 49 LEU H 2.900 . 2.900 2.236 2.187 2.350 . 0 0 "[ . 1 . 2]" 1
261 1 48 GLN HA 1 55 GLN H 5.000 . 5.000 4.191 3.837 4.991 . 0 0 "[ . 1 . 2]" 1
262 1 48 GLN H 1 48 GLN QB 2.900 . 3.500 2.478 2.312 2.574 . 0 0 "[ . 1 . 2]" 1
263 1 48 GLN QB 1 49 LEU H 3.500 . 4.500 3.632 2.612 4.007 . 0 0 "[ . 1 . 2]" 1
264 1 48 GLN QG 1 49 LEU H 5.000 . 6.000 3.066 2.380 3.538 . 0 0 "[ . 1 . 2]" 1
265 1 48 GLN QG 1 52 GLY H 3.500 . 4.500 3.911 3.148 4.068 . 0 0 "[ . 1 . 2]" 1
266 1 49 LEU HA 1 50 ARG H 3.500 . 3.500 3.524 3.465 3.601 0.101 4 0 "[ . 1 . 2]" 1
267 1 49 LEU H 1 49 LEU QB 2.900 . 3.500 2.496 2.207 2.666 . 0 0 "[ . 1 . 2]" 1
268 1 49 LEU QB 1 53 ASN H 3.500 . 4.500 3.308 2.597 3.717 . 0 0 "[ . 1 . 2]" 1
269 1 49 LEU H 1 49 LEU QD 3.500 . 5.200 2.725 1.892 3.172 . 0 0 "[ . 1 . 2]" 1
270 1 49 LEU QD 1 50 ARG H 2.900 . 5.300 3.440 3.221 3.891 . 0 0 "[ . 1 . 2]" 1
271 1 49 LEU QD 1 51 ASN H 5.000 . 7.400 4.605 4.043 5.225 . 0 0 "[ . 1 . 2]" 1
272 1 49 LEU QD 1 53 ASN H 3.500 . 5.900 2.959 1.938 4.205 . 0 0 "[ . 1 . 2]" 1
273 1 49 LEU H 1 49 LEU HG 2.900 . 2.900 2.256 1.792 2.919 0.019 18 0 "[ . 1 . 2]" 1
274 1 49 LEU HG 1 55 GLN H 5.000 . 5.000 4.838 4.075 5.013 0.013 11 0 "[ . 1 . 2]" 1
275 1 49 LEU H 1 50 ARG H 3.500 . 3.500 3.290 2.543 3.535 0.035 9 0 "[ . 1 . 2]" 1
276 1 49 LEU H 1 52 GLY H 5.000 . 5.000 4.516 4.053 4.988 . 0 0 "[ . 1 . 2]" 1
277 1 49 LEU H 1 53 ASN H 5.000 . 5.000 4.517 3.721 5.034 0.034 11 0 "[ . 1 . 2]" 1
278 1 49 LEU H 1 54 LEU HA 5.000 . 5.000 3.260 2.198 4.448 . 0 0 "[ . 1 . 2]" 1
279 1 49 LEU H 1 54 LEU QD 5.000 . 7.400 4.756 3.276 5.300 . 0 0 "[ . 1 . 2]" 1
280 1 50 ARG H 1 50 ARG HA 2.900 . 2.900 2.965 2.789 3.019 0.119 3 0 "[ . 1 . 2]" 1
281 1 50 ARG HA 1 51 ASN H 3.500 . 3.500 3.569 3.544 3.599 0.099 2 0 "[ . 1 . 2]" 1
282 1 50 ARG HA 1 52 GLY H 5.000 . 5.000 4.828 3.991 5.080 0.080 1 0 "[ . 1 . 2]" 1
283 1 50 ARG H 1 50 ARG QB 2.900 . 3.500 2.851 2.386 3.245 . 0 0 "[ . 1 . 2]" 1
284 1 50 ARG QB 1 51 ASN H 2.900 . 3.900 2.611 2.005 3.444 . 0 0 "[ . 1 . 2]" 1
285 1 50 ARG H 1 50 ARG QG 2.900 . 3.900 2.346 1.657 3.070 0.143 11 0 "[ . 1 . 2]" 1
286 1 50 ARG QG 1 51 ASN H 3.500 . 4.500 3.327 1.747 4.034 0.053 19 0 "[ . 1 . 2]" 1
287 1 50 ARG QG 1 52 GLY H 5.000 . 6.000 4.697 3.267 5.348 . 0 0 "[ . 1 . 2]" 1
288 1 50 ARG H 1 51 ASN H 2.900 . 2.900 2.225 1.766 2.901 0.034 13 0 "[ . 1 . 2]" 1
289 1 51 ASN H 1 51 ASN HA 2.900 . 2.900 2.924 2.893 2.979 0.079 2 0 "[ . 1 . 2]" 1
290 1 51 ASN HA 1 52 GLY H 3.500 . 3.500 3.083 2.827 3.521 0.021 14 0 "[ . 1 . 2]" 1
291 1 51 ASN H 1 51 ASN QB 2.900 . 3.500 2.836 2.258 3.129 . 0 0 "[ . 1 . 2]" 1
292 1 51 ASN QB 1 52 GLY H 5.000 . 6.000 3.631 2.819 4.090 . 0 0 "[ . 1 . 2]" 1
293 1 51 ASN H 1 52 GLY H 2.900 . 2.900 2.010 1.747 2.500 0.053 1 0 "[ . 1 . 2]" 1
294 1 52 GLY QA 1 53 ASN H 3.500 . 4.500 2.387 2.201 2.639 . 0 0 "[ . 1 . 2]" 1
295 1 53 ASN HA 1 54 LEU H 2.900 . 2.900 2.566 2.229 2.921 0.021 5 0 "[ . 1 . 2]" 1
296 1 53 ASN H 1 53 ASN QB 2.900 . 3.500 2.691 2.254 3.191 . 0 0 "[ . 1 . 2]" 1
297 1 53 ASN QB 1 54 LEU H 2.900 . 3.900 2.643 1.723 3.526 0.077 5 0 "[ . 1 . 2]" 1
298 1 54 LEU HA 1 55 GLN H 3.500 . 3.500 2.432 2.191 2.727 . 0 0 "[ . 1 . 2]" 1
299 1 54 LEU H 1 54 LEU QB 2.900 . 3.500 2.968 2.520 3.226 . 0 0 "[ . 1 . 2]" 1
300 1 54 LEU QB 1 55 GLN H 3.500 . 4.500 2.686 1.994 3.596 . 0 0 "[ . 1 . 2]" 1
301 1 54 LEU H 1 54 LEU QD 3.500 . 5.200 2.020 1.620 2.875 0.180 1 0 "[ . 1 . 2]" 1
302 1 54 LEU QD 1 55 GLN H 3.500 . 5.900 3.846 3.089 4.498 . 0 0 "[ . 1 . 2]" 1
303 1 54 LEU H 1 54 LEU HG 2.900 . 2.900 2.364 1.768 2.933 0.033 15 0 "[ . 1 . 2]" 1
304 1 54 LEU HG 1 55 GLN H 5.000 . 5.000 4.725 3.987 4.985 . 0 0 "[ . 1 . 2]" 1
305 1 54 LEU H 1 55 GLN H 5.000 . 5.000 4.526 4.422 4.637 . 0 0 "[ . 1 . 2]" 1
306 1 55 GLN HA 1 56 TYR H 2.900 . 2.900 2.210 2.176 2.279 . 0 0 "[ . 1 . 2]" 1
307 1 55 GLN H 1 55 GLN QB 2.900 . 3.500 2.587 2.316 2.922 . 0 0 "[ . 1 . 2]" 1
308 1 55 GLN QB 1 56 TYR H 3.500 . 4.500 3.847 2.981 4.051 . 0 0 "[ . 1 . 2]" 1
309 1 55 GLN QG 1 56 TYR H 2.900 . 3.900 3.076 2.447 3.516 . 0 0 "[ . 1 . 2]" 1
310 1 56 TYR HA 1 57 ASP H 2.900 . 2.900 2.217 2.196 2.244 . 0 0 "[ . 1 . 2]" 1
311 1 56 TYR H 1 56 TYR QB 2.900 . 3.500 2.347 2.093 2.807 . 0 0 "[ . 1 . 2]" 1
312 1 56 TYR QB 1 57 ASP H 3.500 . 4.500 3.460 3.192 3.721 . 0 0 "[ . 1 . 2]" 1
313 1 56 TYR QB 1 90 VAL H 5.000 . 6.000 4.511 3.915 5.137 . 0 0 "[ . 1 . 2]" 1
314 1 56 TYR H 1 56 TYR QD 3.500 . 5.500 2.397 1.641 3.762 0.159 13 0 "[ . 1 . 2]" 1
315 1 56 TYR QD 1 57 ASP H 5.000 . 7.000 4.155 2.569 4.899 . 0 0 "[ . 1 . 2]" 1
316 1 56 TYR H 1 56 TYR QE 5.000 . 7.000 4.528 3.523 5.669 . 0 0 "[ . 1 . 2]" 1
317 1 56 TYR H 1 57 ASP H 5.000 . 5.000 4.500 4.416 4.616 . 0 0 "[ . 1 . 2]" 1
318 1 56 TYR H 1 89 ALA HA 3.500 . 3.500 3.519 3.493 3.556 0.056 6 0 "[ . 1 . 2]" 1
319 1 56 TYR H 1 89 ALA MB 5.000 . 6.500 3.092 2.436 3.789 . 0 0 "[ . 1 . 2]" 1
320 1 57 ASP HA 1 58 LEU H 2.900 . 2.900 2.209 2.177 2.320 . 0 0 "[ . 1 . 2]" 1
321 1 57 ASP HA 1 90 VAL H 3.500 . 3.500 2.783 2.104 3.483 . 0 0 "[ . 1 . 2]" 1
322 1 57 ASP H 1 57 ASP QB 2.900 . 3.500 2.462 2.297 2.722 . 0 0 "[ . 1 . 2]" 1
323 1 57 ASP QB 1 58 LEU H 5.000 . 6.000 3.452 2.852 3.877 . 0 0 "[ . 1 . 2]" 1
324 1 58 LEU HA 1 59 HIS H 2.900 . 2.900 2.203 2.149 2.239 . 0 0 "[ . 1 . 2]" 1
325 1 58 LEU H 1 58 LEU QB 3.500 . 4.100 2.405 2.128 2.766 . 0 0 "[ . 1 . 2]" 1
326 1 58 LEU QB 1 59 HIS H 5.000 . 6.000 3.400 2.897 3.932 . 0 0 "[ . 1 . 2]" 1
327 1 58 LEU QB 1 92 HIS H 5.000 . 6.000 3.206 2.850 4.545 . 0 0 "[ . 1 . 2]" 1
328 1 58 LEU H 1 58 LEU QD 3.500 . 5.200 2.717 1.835 3.720 . 0 0 "[ . 1 . 2]" 1
329 1 58 LEU QD 1 59 HIS H 2.900 . 5.300 3.530 2.076 4.103 . 0 0 "[ . 1 . 2]" 1
330 1 58 LEU H 1 89 ALA MB 5.000 . 6.500 3.785 3.204 4.404 . 0 0 "[ . 1 . 2]" 1
331 1 58 LEU H 1 90 VAL HB 5.000 . 5.000 3.321 2.771 3.927 . 0 0 "[ . 1 . 2]" 1
332 1 58 LEU H 1 90 VAL H 5.000 . 5.000 3.543 2.822 4.317 . 0 0 "[ . 1 . 2]" 1
333 1 58 LEU H 1 92 HIS HD2 3.500 . 3.500 3.506 3.475 3.540 0.040 8 0 "[ . 1 . 2]" 1
334 1 58 LEU H 1 92 HIS H 5.000 . 5.000 4.126 3.380 4.428 . 0 0 "[ . 1 . 2]" 1
335 1 59 HIS HA 1 60 TYR H 2.900 . 2.900 2.208 2.178 2.225 . 0 0 "[ . 1 . 2]" 1
336 1 59 HIS HA 1 92 HIS H 3.500 . 3.500 3.004 2.394 3.455 . 0 0 "[ . 1 . 2]" 1
337 1 59 HIS HA 1 94 GLU H 5.000 . 5.000 4.996 4.929 5.018 0.018 2 0 "[ . 1 . 2]" 1
338 1 59 HIS H 1 59 HIS QB 3.500 . 4.100 2.950 2.456 3.366 . 0 0 "[ . 1 . 2]" 1
339 1 59 HIS QB 1 60 TYR H 3.500 . 4.500 3.495 3.149 3.613 . 0 0 "[ . 1 . 2]" 1
340 1 59 HIS H 1 59 HIS HD2 3.500 . 3.500 2.994 1.799 3.551 0.051 11 0 "[ . 1 . 2]" 1
341 1 59 HIS H 1 60 TYR H 5.000 . 5.000 4.137 3.936 4.326 . 0 0 "[ . 1 . 2]" 1
342 1 60 TYR HA 1 61 TRP H 2.900 . 2.900 2.186 2.170 2.252 . 0 0 "[ . 1 . 2]" 1
343 1 60 TYR QB 1 61 TRP H 3.500 . 4.500 3.339 3.048 3.492 . 0 0 "[ . 1 . 2]" 1
344 1 60 TYR H 1 60 TYR QD 3.500 . 5.500 2.160 2.002 2.573 . 0 0 "[ . 1 . 2]" 1
345 1 60 TYR QD 1 94 GLU H 5.000 . 7.000 3.710 3.108 4.241 . 0 0 "[ . 1 . 2]" 1
346 1 60 TYR H 1 61 TRP H 5.000 . 5.000 4.460 4.309 4.605 . 0 0 "[ . 1 . 2]" 1
347 1 60 TYR H 1 92 HIS QB 5.000 . 6.000 4.087 3.725 5.086 . 0 0 "[ . 1 . 2]" 1
348 1 60 TYR H 1 93 ARG HA 3.500 . 3.500 3.035 2.575 3.194 . 0 0 "[ . 1 . 2]" 1
349 1 61 TRP HA 1 62 LEU H 2.900 . 2.900 2.171 2.155 2.205 . 0 0 "[ . 1 . 2]" 1
350 1 61 TRP HA 1 94 GLU H 5.000 . 5.000 3.469 3.084 3.755 . 0 0 "[ . 1 . 2]" 1
351 1 61 TRP QB 1 62 LEU H 5.000 . 6.000 3.770 3.648 3.902 . 0 0 "[ . 1 . 2]" 1
352 1 61 TRP HE1 1 96 GLN HA 5.000 . 5.000 3.334 2.210 3.785 . 0 0 "[ . 1 . 2]" 1
353 1 61 TRP HE1 1 96 GLN QB 5.000 . 6.000 4.509 2.174 5.340 . 0 0 "[ . 1 . 2]" 1
354 1 61 TRP HE1 1 96 GLN QG 3.500 . 4.500 3.785 2.543 4.065 . 0 0 "[ . 1 . 2]" 1
355 1 61 TRP HE1 1 97 GLY H 5.000 . 5.000 4.739 3.833 4.973 . 0 0 "[ . 1 . 2]" 1
356 1 61 TRP HE1 1 99 GLU QG 3.500 . 4.500 3.407 2.368 4.008 . 0 0 "[ . 1 . 2]" 1
357 1 61 TRP H 1 62 LEU H 5.000 . 5.000 4.519 4.391 4.596 . 0 0 "[ . 1 . 2]" 1
358 1 62 LEU HA 1 63 GLY H 2.900 . 2.900 2.210 2.190 2.224 . 0 0 "[ . 1 . 2]" 1
359 1 62 LEU H 1 62 LEU QB 2.900 . 3.500 2.980 2.856 3.177 . 0 0 "[ . 1 . 2]" 1
360 1 62 LEU QB 1 63 GLY H 5.000 . 6.000 3.519 3.249 3.614 . 0 0 "[ . 1 . 2]" 1
361 1 62 LEU QD 1 63 GLY H 5.000 . 7.400 4.134 3.998 4.407 . 0 0 "[ . 1 . 2]" 1
362 1 62 LEU H 1 62 LEU HG 3.500 . 3.500 2.151 1.858 2.387 . 0 0 "[ . 1 . 2]" 1
363 1 62 LEU H 1 63 GLY H 5.000 . 5.000 4.173 4.034 4.389 . 0 0 "[ . 1 . 2]" 1
364 1 62 LEU H 1 94 GLU H 5.000 . 5.000 4.088 3.281 4.469 . 0 0 "[ . 1 . 2]" 1
365 1 62 LEU H 1 95 VAL HA 3.500 . 3.500 3.248 2.867 3.501 0.001 13 0 "[ . 1 . 2]" 1
366 1 62 LEU H 1 95 VAL QG 5.000 . 7.400 4.266 3.913 4.757 . 0 0 "[ . 1 . 2]" 1
367 1 62 LEU H 1 96 GLN H 5.000 . 5.000 3.333 2.985 3.527 . 0 0 "[ . 1 . 2]" 1
368 1 63 GLY QA 1 64 ASN H 2.900 . 3.900 2.897 2.786 2.936 . 0 0 "[ . 1 . 2]" 1
369 1 63 GLY QA 1 65 GLU H 3.500 . 4.500 3.035 2.981 3.121 . 0 0 "[ . 1 . 2]" 1
370 1 63 GLY QA 1 66 CYS H 5.000 . 6.000 4.774 4.613 4.923 . 0 0 "[ . 1 . 2]" 1
371 1 63 GLY H 1 64 ASN H 5.000 . 5.000 2.950 2.807 3.195 . 0 0 "[ . 1 . 2]" 1
372 1 63 GLY H 1 66 CYS QB 3.500 . 4.500 3.940 3.619 4.076 . 0 0 "[ . 1 . 2]" 1
373 1 64 ASN HA 1 65 GLU H 3.500 . 3.500 3.297 3.216 3.309 . 0 0 "[ . 1 . 2]" 1
374 1 64 ASN HA 1 66 CYS H 3.500 . 3.500 3.498 3.481 3.528 0.028 15 0 "[ . 1 . 2]" 1
375 1 64 ASN H 1 64 ASN QB 2.900 . 3.500 3.006 2.924 3.060 . 0 0 "[ . 1 . 2]" 1
376 1 64 ASN QB 1 65 GLU H 3.500 . 4.500 3.434 3.401 3.597 . 0 0 "[ . 1 . 2]" 1
377 1 64 ASN H 1 65 GLU H 3.500 . 3.500 2.759 2.669 2.855 . 0 0 "[ . 1 . 2]" 1
378 1 64 ASN H 1 66 CYS H 5.000 . 5.000 3.601 3.430 3.847 . 0 0 "[ . 1 . 2]" 1
379 1 64 ASN H 1 96 GLN QB 3.500 . 4.500 3.175 2.931 3.532 . 0 0 "[ . 1 . 2]" 1
380 1 64 ASN H 1 96 GLN H 5.000 . 5.000 5.056 5.046 5.076 0.076 7 0 "[ . 1 . 2]" 1
381 1 65 GLU HA 1 66 CYS H 3.500 . 3.500 3.216 3.150 3.280 . 0 0 "[ . 1 . 2]" 1
382 1 65 GLU H 1 65 GLU QB 2.900 . 3.500 2.363 2.273 2.654 . 0 0 "[ . 1 . 2]" 1
383 1 65 GLU QB 1 66 CYS H 5.000 . 6.000 3.521 3.414 3.613 . 0 0 "[ . 1 . 2]" 1
384 1 65 GLU H 1 65 GLU QG 2.900 . 3.900 3.078 2.523 3.402 . 0 0 "[ . 1 . 2]" 1
385 1 65 GLU QG 1 66 CYS H 5.000 . 6.000 4.518 4.193 4.737 . 0 0 "[ . 1 . 2]" 1
386 1 65 GLU H 1 66 CYS H 2.900 . 2.900 2.283 2.176 2.347 . 0 0 "[ . 1 . 2]" 1
387 1 66 CYS HA 1 67 SER H 3.500 . 3.500 2.238 2.188 2.281 . 0 0 "[ . 1 . 2]" 1
388 1 66 CYS H 1 66 CYS QB 2.900 . 3.500 2.435 2.349 2.645 . 0 0 "[ . 1 . 2]" 1
389 1 66 CYS QB 1 67 SER H 3.500 . 4.500 3.566 2.919 3.894 . 0 0 "[ . 1 . 2]" 1
390 1 66 CYS H 1 67 SER H 5.000 . 5.000 4.566 4.414 4.633 . 0 0 "[ . 1 . 2]" 1
391 1 67 SER HA 1 68 GLN H 3.500 . 3.500 2.318 2.187 2.507 . 0 0 "[ . 1 . 2]" 1
392 1 67 SER H 1 67 SER QB 2.900 . 3.500 2.472 2.172 2.847 . 0 0 "[ . 1 . 2]" 1
393 1 67 SER QB 1 68 GLN H 2.900 . 3.900 3.084 2.448 3.515 . 0 0 "[ . 1 . 2]" 1
394 1 67 SER QB 1 69 ASP H 3.500 . 4.500 2.582 2.202 3.338 . 0 0 "[ . 1 . 2]" 1
395 1 67 SER H 1 68 GLN H 5.000 . 5.000 4.686 4.591 4.736 . 0 0 "[ . 1 . 2]" 1
396 1 67 SER H 1 70 GLU QB 5.000 . 6.000 4.130 3.444 4.994 . 0 0 "[ . 1 . 2]" 1
397 1 67 SER H 1 70 GLU H 5.000 . 5.000 4.423 3.864 4.795 . 0 0 "[ . 1 . 2]" 1
398 1 68 GLN H 1 68 GLN HA 2.900 . 2.900 2.896 2.799 2.951 0.051 11 0 "[ . 1 . 2]" 1
399 1 68 GLN HA 1 69 ASP H 3.500 . 3.500 3.441 3.387 3.523 0.023 6 0 "[ . 1 . 2]" 1
400 1 68 GLN H 1 68 GLN QB 2.900 . 3.500 2.553 2.241 2.907 . 0 0 "[ . 1 . 2]" 1
401 1 68 GLN QB 1 69 ASP H 2.900 . 3.900 3.268 2.850 3.590 . 0 0 "[ . 1 . 2]" 1
402 1 68 GLN H 1 68 GLN QG 3.500 . 4.500 2.551 1.732 4.075 0.068 15 0 "[ . 1 . 2]" 1
403 1 68 GLN QG 1 69 ASP H 3.500 . 4.500 3.512 2.030 4.077 . 0 0 "[ . 1 . 2]" 1
404 1 68 GLN H 1 69 ASP H 2.900 . 2.900 2.632 2.426 2.853 . 0 0 "[ . 1 . 2]" 1
405 1 69 ASP H 1 69 ASP HA 2.900 . 2.900 2.910 2.848 2.961 0.061 4 0 "[ . 1 . 2]" 1
406 1 69 ASP HA 1 70 GLU H 5.000 . 5.000 3.589 3.546 3.614 . 0 0 "[ . 1 . 2]" 1
407 1 69 ASP HA 1 72 GLY H 5.000 . 5.000 4.371 4.096 4.723 . 0 0 "[ . 1 . 2]" 1
408 1 69 ASP H 1 69 ASP QB 2.900 . 3.500 2.362 2.191 2.726 . 0 0 "[ . 1 . 2]" 1
409 1 69 ASP QB 1 70 GLU H 3.500 . 4.500 2.565 2.187 3.391 . 0 0 "[ . 1 . 2]" 1
410 1 69 ASP H 1 70 GLU H 2.900 . 2.900 2.677 2.434 2.936 0.036 2 0 "[ . 1 . 2]" 1
411 1 70 GLU HA 1 71 SER H 3.500 . 3.500 3.553 3.517 3.579 0.079 3 0 "[ . 1 . 2]" 1
412 1 70 GLU H 1 70 GLU QB 2.900 . 3.500 2.529 2.272 2.985 . 0 0 "[ . 1 . 2]" 1
413 1 70 GLU QB 1 71 SER H 3.500 . 4.500 2.643 2.403 3.183 . 0 0 "[ . 1 . 2]" 1
414 1 70 GLU H 1 70 GLU QG 3.500 . 4.500 2.633 1.729 4.034 0.071 9 0 "[ . 1 . 2]" 1
415 1 70 GLU QG 1 71 SER H 3.500 . 4.500 3.617 2.054 3.960 . 0 0 "[ . 1 . 2]" 1
416 1 70 GLU H 1 71 SER QB 3.500 . 4.500 4.085 4.014 4.116 . 0 0 "[ . 1 . 2]" 1
417 1 70 GLU H 1 71 SER H 2.900 . 2.900 2.322 2.279 2.382 . 0 0 "[ . 1 . 2]" 1
418 1 71 SER HA 1 72 GLY H 5.000 . 5.000 3.607 3.601 3.612 . 0 0 "[ . 1 . 2]" 1
419 1 71 SER HA 1 74 ALA H 5.000 . 5.000 3.633 3.476 3.863 . 0 0 "[ . 1 . 2]" 1
420 1 71 SER H 1 71 SER QB 2.900 . 3.500 2.218 2.141 2.272 . 0 0 "[ . 1 . 2]" 1
421 1 71 SER H 1 72 GLY H 2.900 . 2.900 2.881 2.811 2.914 0.014 3 0 "[ . 1 . 2]" 1
422 1 72 GLY QA 1 73 ALA H 2.900 . 3.900 2.688 2.621 2.760 . 0 0 "[ . 1 . 2]" 1
423 1 72 GLY H 1 73 ALA H 2.900 . 2.900 2.841 2.735 2.917 0.017 9 0 "[ . 1 . 2]" 1
424 1 73 ALA HA 1 76 ILE H 3.500 . 3.500 3.346 3.087 3.490 . 0 0 "[ . 1 . 2]" 1
425 1 73 ALA H 1 73 ALA MB 2.900 . 4.000 2.253 2.073 2.273 . 0 0 "[ . 1 . 2]" 1
426 1 73 ALA MB 1 74 ALA H 2.900 . 4.400 2.425 2.174 2.678 . 0 0 "[ . 1 . 2]" 1
427 1 73 ALA H 1 74 ALA H 2.900 . 2.900 2.916 2.886 2.930 0.030 1 0 "[ . 1 . 2]" 1
428 1 74 ALA H 1 74 ALA HA 2.900 . 2.900 2.883 2.815 2.932 0.032 7 0 "[ . 1 . 2]" 1
429 1 74 ALA HA 1 75 ALA H 3.500 . 3.500 3.579 3.563 3.598 0.098 20 0 "[ . 1 . 2]" 1
430 1 74 ALA HA 1 77 PHE H 3.500 . 3.500 3.514 3.496 3.543 0.043 10 0 "[ . 1 . 2]" 1
431 1 74 ALA H 1 74 ALA MB 2.900 . 4.000 2.238 2.055 2.269 . 0 0 "[ . 1 . 2]" 1
432 1 74 ALA MB 1 75 ALA H 2.900 . 4.400 2.427 2.199 2.650 . 0 0 "[ . 1 . 2]" 1
433 1 74 ALA H 1 75 ALA H 2.900 . 2.900 2.733 2.569 2.881 . 0 0 "[ . 1 . 2]" 1
434 1 75 ALA H 1 75 ALA HA 2.900 . 2.900 2.901 2.867 2.933 0.033 6 0 "[ . 1 . 2]" 1
435 1 75 ALA HA 1 76 ILE H 5.000 . 5.000 3.504 3.467 3.578 . 0 0 "[ . 1 . 2]" 1
436 1 75 ALA HA 1 78 THR H 5.000 . 5.000 3.747 3.573 3.988 . 0 0 "[ . 1 . 2]" 1
437 1 75 ALA H 1 75 ALA MB 2.900 . 4.000 2.261 2.256 2.271 . 0 0 "[ . 1 . 2]" 1
438 1 75 ALA MB 1 76 ILE H 2.900 . 4.400 2.810 2.483 2.932 . 0 0 "[ . 1 . 2]" 1
439 1 75 ALA H 1 76 ILE H 2.900 . 2.900 2.597 2.489 2.680 . 0 0 "[ . 1 . 2]" 1
440 1 76 ILE H 1 76 ILE HA 2.900 . 2.900 2.959 2.924 2.972 0.072 16 0 "[ . 1 . 2]" 1
441 1 76 ILE HA 1 77 PHE H 5.000 . 5.000 3.607 3.580 3.619 . 0 0 "[ . 1 . 2]" 1
442 1 76 ILE HA 1 79 VAL H 3.500 . 3.500 3.509 3.486 3.548 0.048 10 0 "[ . 1 . 2]" 1
443 1 76 ILE H 1 76 ILE HB 2.900 . 2.900 2.474 2.354 2.605 . 0 0 "[ . 1 . 2]" 1
444 1 76 ILE HB 1 77 PHE H 2.900 . 2.900 2.362 2.190 2.607 . 0 0 "[ . 1 . 2]" 1
445 1 76 ILE H 1 76 ILE HG13 3.500 . 3.500 3.013 2.105 3.511 0.011 17 0 "[ . 1 . 2]" 1
446 1 76 ILE HG13 1 77 PHE H 5.000 . 5.000 4.369 3.962 4.729 . 0 0 "[ . 1 . 2]" 1
447 1 76 ILE H 1 76 ILE HG12 2.900 . 2.900 2.648 2.321 2.949 0.049 14 0 "[ . 1 . 2]" 1
448 1 76 ILE HG12 1 77 PHE H 5.000 . 5.000 4.441 4.207 4.729 . 0 0 "[ . 1 . 2]" 1
449 1 76 ILE H 1 76 ILE MG 2.900 . 4.400 3.780 3.750 3.799 . 0 0 "[ . 1 . 2]" 1
450 1 76 ILE MG 1 77 PHE H 3.500 . 5.000 3.230 2.891 3.648 . 0 0 "[ . 1 . 2]" 1
451 1 76 ILE H 1 77 PHE H 2.900 . 2.900 2.577 2.497 2.691 . 0 0 "[ . 1 . 2]" 1
452 1 77 PHE HA 1 78 THR H 5.000 . 5.000 3.550 3.490 3.592 . 0 0 "[ . 1 . 2]" 1
453 1 77 PHE HA 1 80 GLN H 5.000 . 5.000 3.897 3.520 4.180 . 0 0 "[ . 1 . 2]" 1
454 1 77 PHE H 1 77 PHE QB 2.900 . 3.500 2.198 2.069 2.335 . 0 0 "[ . 1 . 2]" 1
455 1 77 PHE QB 1 78 THR H 3.500 . 4.500 2.740 2.538 2.885 . 0 0 "[ . 1 . 2]" 1
456 1 77 PHE H 1 77 PHE QD 3.500 . 5.500 2.699 1.983 4.082 . 0 0 "[ . 1 . 2]" 1
457 1 77 PHE QD 1 78 THR H 5.000 . 7.000 4.438 4.299 4.634 . 0 0 "[ . 1 . 2]" 1
458 1 77 PHE H 1 78 THR H 2.900 . 2.900 2.645 2.529 2.769 . 0 0 "[ . 1 . 2]" 1
459 1 78 THR HA 1 81 LEU H 5.000 . 5.000 4.112 3.781 4.463 . 0 0 "[ . 1 . 2]" 1
460 1 78 THR H 1 78 THR HB 2.900 . 2.900 2.358 2.275 2.566 . 0 0 "[ . 1 . 2]" 1
461 1 78 THR HB 1 79 VAL H 3.500 . 3.500 3.229 2.403 3.615 0.115 19 0 "[ . 1 . 2]" 1
462 1 78 THR H 1 78 THR MG 3.500 . 5.000 2.909 2.299 3.794 . 0 0 "[ . 1 . 2]" 1
463 1 78 THR H 1 79 VAL H 2.900 . 2.900 2.560 2.500 2.656 . 0 0 "[ . 1 . 2]" 1
464 1 79 VAL H 1 79 VAL HA 2.900 . 2.900 2.911 2.882 2.946 0.046 4 0 "[ . 1 . 2]" 1
465 1 79 VAL HA 1 80 GLN H 5.000 . 5.000 3.598 3.525 3.615 . 0 0 "[ . 1 . 2]" 1
466 1 79 VAL HA 1 82 ASP H 5.000 . 5.000 3.838 3.363 4.127 . 0 0 "[ . 1 . 2]" 1
467 1 79 VAL H 1 79 VAL HB 2.900 . 2.900 2.402 2.346 2.534 . 0 0 "[ . 1 . 2]" 1
468 1 79 VAL HB 1 80 GLN H 2.900 . 2.900 2.458 2.148 2.905 0.005 18 0 "[ . 1 . 2]" 1
469 1 79 VAL H 1 79 VAL QG 2.900 . 4.600 2.319 2.104 2.437 . 0 0 "[ . 1 . 2]" 1
470 1 79 VAL QG 1 80 GLN H 3.500 . 5.900 2.948 2.666 3.399 . 0 0 "[ . 1 . 2]" 1
471 1 79 VAL H 1 80 GLN H 2.900 . 2.900 2.734 2.508 2.898 . 0 0 "[ . 1 . 2]" 1
472 1 79 VAL H 1 81 LEU H 5.000 . 5.000 4.471 4.323 4.669 . 0 0 "[ . 1 . 2]" 1
473 1 80 GLN H 1 80 GLN HA 2.900 . 2.900 2.887 2.793 2.928 0.028 18 0 "[ . 1 . 2]" 1
474 1 80 GLN HA 1 81 LEU H 5.000 . 5.000 3.622 3.618 3.626 . 0 0 "[ . 1 . 2]" 1
475 1 80 GLN HA 1 83 ASP H 3.500 . 3.500 3.526 3.502 3.557 0.057 10 0 "[ . 1 . 2]" 1
476 1 80 GLN H 1 80 GLN QB 2.900 . 3.500 2.372 2.249 2.553 . 0 0 "[ . 1 . 2]" 1
477 1 80 GLN QB 1 81 LEU H 3.500 . 4.500 2.344 2.142 3.295 . 0 0 "[ . 1 . 2]" 1
478 1 80 GLN H 1 80 GLN QG 2.900 . 3.900 2.338 1.900 2.655 . 0 0 "[ . 1 . 2]" 1
479 1 80 GLN QG 1 81 LEU H 5.000 . 6.000 3.787 1.618 4.160 0.182 14 0 "[ . 1 . 2]" 1
480 1 80 GLN H 1 81 LEU H 3.500 . 3.500 2.912 2.775 3.147 . 0 0 "[ . 1 . 2]" 1
481 1 81 LEU HA 1 82 ASP H 5.000 . 5.000 3.603 3.571 3.616 . 0 0 "[ . 1 . 2]" 1
482 1 81 LEU HA 1 84 TYR H 3.500 . 3.500 2.957 2.865 3.057 . 0 0 "[ . 1 . 2]" 1
483 1 81 LEU H 1 81 LEU QB 2.900 . 3.500 2.191 2.094 2.248 . 0 0 "[ . 1 . 2]" 1
484 1 81 LEU QB 1 82 ASP H 2.900 . 3.900 2.444 2.298 2.647 . 0 0 "[ . 1 . 2]" 1
485 1 81 LEU H 1 82 ASP H 2.900 . 2.900 2.861 2.743 2.926 0.026 19 0 "[ . 1 . 2]" 1
486 1 82 ASP HA 1 85 LEU H 2.900 . 2.900 3.002 2.981 3.030 0.130 5 0 "[ . 1 . 2]" 1
487 1 82 ASP H 1 82 ASP QB 2.900 . 3.500 2.254 2.090 2.369 . 0 0 "[ . 1 . 2]" 1
488 1 82 ASP QB 1 83 ASP H 2.900 . 3.900 2.631 2.425 3.202 . 0 0 "[ . 1 . 2]" 1
489 1 82 ASP H 1 83 ASP H 2.900 . 2.900 2.944 2.916 2.969 0.069 3 0 "[ . 1 . 2]" 1
490 1 83 ASP H 1 83 ASP HA 2.900 . 2.900 2.882 2.854 2.899 . 0 0 "[ . 1 . 2]" 1
491 1 83 ASP HA 1 86 ASN H 3.500 . 3.500 3.553 3.506 3.591 0.091 2 0 "[ . 1 . 2]" 1
492 1 83 ASP HA 1 87 GLY H 3.500 . 3.500 2.302 2.207 2.584 . 0 0 "[ . 1 . 2]" 1
493 1 83 ASP H 1 83 ASP QB 2.900 . 3.500 2.364 2.227 2.697 . 0 0 "[ . 1 . 2]" 1
494 1 83 ASP QB 1 84 TYR H 3.500 . 4.500 2.749 2.607 2.873 . 0 0 "[ . 1 . 2]" 1
495 1 83 ASP H 1 84 TYR H 3.500 . 3.500 2.595 2.523 2.668 . 0 0 "[ . 1 . 2]" 1
496 1 84 TYR H 1 84 TYR HA 2.900 . 2.900 2.936 2.901 2.955 0.055 7 0 "[ . 1 . 2]" 1
497 1 84 TYR HA 1 85 LEU H 5.000 . 5.000 3.499 3.477 3.526 . 0 0 "[ . 1 . 2]" 1
498 1 84 TYR H 1 84 TYR QB 2.900 . 3.500 2.273 2.210 2.305 . 0 0 "[ . 1 . 2]" 1
499 1 84 TYR QB 1 85 LEU H 3.500 . 4.500 2.930 2.806 2.989 . 0 0 "[ . 1 . 2]" 1
500 1 84 TYR H 1 84 TYR QD 3.500 . 5.500 4.162 4.019 4.227 . 0 0 "[ . 1 . 2]" 1
501 1 84 TYR QD 1 85 LEU H 5.000 . 7.000 3.805 3.224 4.405 . 0 0 "[ . 1 . 2]" 1
502 1 84 TYR H 1 85 LEU QB 5.000 . 6.000 4.406 4.150 4.823 . 0 0 "[ . 1 . 2]" 1
503 1 84 TYR H 1 85 LEU H 2.900 . 2.900 2.447 2.386 2.572 . 0 0 "[ . 1 . 2]" 1
504 1 85 LEU HA 1 86 ASN H 3.500 . 3.500 3.610 3.597 3.629 0.129 5 0 "[ . 1 . 2]" 1
505 1 85 LEU H 1 85 LEU QB 2.900 . 3.500 2.342 2.110 2.573 . 0 0 "[ . 1 . 2]" 1
506 1 85 LEU QB 1 86 ASN H 5.000 . 6.000 2.304 2.120 2.515 . 0 0 "[ . 1 . 2]" 1
507 1 85 LEU QB 1 87 GLY H 5.000 . 6.000 4.053 3.866 4.220 . 0 0 "[ . 1 . 2]" 1
508 1 85 LEU H 1 85 LEU QD 3.500 . 5.200 3.204 2.406 3.794 . 0 0 "[ . 1 . 2]" 1
509 1 85 LEU QD 1 86 ASN H 5.000 . 7.400 3.863 3.368 4.012 . 0 0 "[ . 1 . 2]" 1
510 1 85 LEU H 1 86 ASN H 2.900 . 2.900 2.597 2.463 2.733 . 0 0 "[ . 1 . 2]" 1
511 1 86 ASN HA 1 87 GLY H 3.500 . 3.500 3.559 3.197 3.591 0.091 5 0 "[ . 1 . 2]" 1
512 1 86 ASN H 1 86 ASN QB 3.500 . 4.100 2.630 2.442 3.129 . 0 0 "[ . 1 . 2]" 1
513 1 86 ASN QB 1 87 GLY H 5.000 . 6.000 2.645 2.496 3.610 . 0 0 "[ . 1 . 2]" 1
514 1 86 ASN H 1 87 GLY H 2.900 . 2.900 2.025 1.989 2.255 . 0 0 "[ . 1 . 2]" 1
515 1 87 GLY QA 1 88 ARG H 3.500 . 4.500 2.903 2.713 2.953 . 0 0 "[ . 1 . 2]" 1
516 1 87 GLY H 1 88 ARG QB 5.000 . 6.000 4.931 4.633 5.402 . 0 0 "[ . 1 . 2]" 1
517 1 87 GLY H 1 88 ARG H 2.900 . 2.900 2.372 2.038 2.819 . 0 0 "[ . 1 . 2]" 1
518 1 88 ARG H 1 88 ARG HA 2.900 . 2.900 3.000 2.970 3.026 0.126 18 0 "[ . 1 . 2]" 1
519 1 88 ARG HA 1 89 ALA H 3.500 . 3.500 3.427 2.591 3.594 0.094 17 0 "[ . 1 . 2]" 1
520 1 88 ARG H 1 88 ARG QB 2.900 . 3.500 2.827 2.598 3.256 . 0 0 "[ . 1 . 2]" 1
521 1 88 ARG QB 1 89 ALA H 3.500 . 4.500 2.355 1.662 4.040 0.138 20 0 "[ . 1 . 2]" 1
522 1 88 ARG H 1 88 ARG QG 2.900 . 3.900 2.914 2.061 3.464 . 0 0 "[ . 1 . 2]" 1
523 1 88 ARG QG 1 89 ALA H 5.000 . 6.000 3.749 1.761 4.503 0.039 12 0 "[ . 1 . 2]" 1
524 1 88 ARG H 1 89 ALA H 2.900 . 2.900 2.644 1.772 2.944 0.044 5 0 "[ . 1 . 2]" 1
525 1 89 ALA HA 1 90 VAL H 2.900 . 2.900 2.514 2.214 2.911 0.011 12 0 "[ . 1 . 2]" 1
526 1 89 ALA H 1 89 ALA MB 2.900 . 4.000 2.729 2.048 3.022 . 0 0 "[ . 1 . 2]" 1
527 1 90 VAL HA 1 91 GLN H 2.900 . 2.900 2.297 2.211 2.329 . 0 0 "[ . 1 . 2]" 1
528 1 90 VAL H 1 90 VAL HB 2.900 . 2.900 2.737 2.506 2.921 0.021 12 0 "[ . 1 . 2]" 1
529 1 90 VAL H 1 90 VAL QG 2.900 . 4.600 2.182 1.736 2.792 0.064 3 0 "[ . 1 . 2]" 1
530 1 90 VAL QG 1 91 GLN H 2.900 . 5.300 2.238 2.124 2.561 . 0 0 "[ . 1 . 2]" 1
531 1 90 VAL H 1 91 GLN H 5.000 . 5.000 4.619 4.300 4.720 . 0 0 "[ . 1 . 2]" 1
532 1 91 GLN HA 1 92 HIS H 2.900 . 2.900 2.221 2.174 2.370 . 0 0 "[ . 1 . 2]" 1
533 1 91 GLN H 1 91 GLN QB 2.900 . 3.500 2.838 2.360 3.235 . 0 0 "[ . 1 . 2]" 1
534 1 91 GLN QB 1 92 HIS H 3.500 . 4.500 3.193 2.677 3.700 . 0 0 "[ . 1 . 2]" 1
535 1 91 GLN H 1 91 GLN QG 3.500 . 4.500 2.450 1.729 4.066 0.071 7 0 "[ . 1 . 2]" 1
536 1 91 GLN QG 1 92 HIS H 5.000 . 6.000 4.047 2.482 4.527 . 0 0 "[ . 1 . 2]" 1
537 1 92 HIS HA 1 93 ARG H 2.900 . 2.900 2.238 2.176 2.404 . 0 0 "[ . 1 . 2]" 1
538 1 92 HIS H 1 92 HIS QB 3.500 . 4.100 2.734 2.332 3.270 . 0 0 "[ . 1 . 2]" 1
539 1 92 HIS QB 1 93 ARG H 3.500 . 4.500 3.174 2.587 3.546 . 0 0 "[ . 1 . 2]" 1
540 1 92 HIS H 1 92 HIS HD2 3.500 . 3.500 3.150 2.121 3.537 0.037 9 0 "[ . 1 . 2]" 1
541 1 92 HIS HE1 1 103 PHE H 5.000 . 5.000 4.994 4.984 5.009 0.009 17 0 "[ . 1 . 2]" 1
542 1 93 ARG HA 1 94 GLU H 2.900 . 2.900 2.198 2.184 2.260 . 0 0 "[ . 1 . 2]" 1
543 1 93 ARG H 1 93 ARG QB 2.900 . 3.500 2.602 2.339 2.961 . 0 0 "[ . 1 . 2]" 1
544 1 93 ARG QB 1 94 GLU H 3.500 . 4.500 3.541 2.966 3.880 . 0 0 "[ . 1 . 2]" 1
545 1 93 ARG QG 1 94 GLU H 3.500 . 4.500 3.319 2.650 4.082 . 0 0 "[ . 1 . 2]" 1
546 1 94 GLU HA 1 95 VAL H 2.900 . 2.900 2.306 2.187 2.414 . 0 0 "[ . 1 . 2]" 1
547 1 94 GLU QB 1 95 VAL H 5.000 . 6.000 3.780 3.391 3.906 . 0 0 "[ . 1 . 2]" 1
548 1 94 GLU H 1 94 GLU QG 3.500 . 4.500 2.950 1.926 4.113 . 0 0 "[ . 1 . 2]" 1
549 1 94 GLU H 1 95 VAL H 5.000 . 5.000 3.902 3.595 4.295 . 0 0 "[ . 1 . 2]" 1
550 1 95 VAL HA 1 96 GLN H 2.900 . 2.900 2.886 2.880 2.894 . 0 0 "[ . 1 . 2]" 1
551 1 95 VAL H 1 95 VAL HB 2.900 . 2.900 2.762 2.599 2.840 . 0 0 "[ . 1 . 2]" 1
552 1 95 VAL HB 1 96 GLN H 5.000 . 5.000 4.224 4.174 4.624 . 0 0 "[ . 1 . 2]" 1
553 1 95 VAL HB 1 98 PHE H 5.000 . 5.000 4.239 3.529 4.991 . 0 0 "[ . 1 . 2]" 1
554 1 95 VAL H 1 95 VAL QG 2.900 . 4.600 1.985 1.813 2.379 . 0 0 "[ . 1 . 2]" 1
555 1 95 VAL QG 1 96 GLN H 3.500 . 5.900 3.731 3.422 3.772 . 0 0 "[ . 1 . 2]" 1
556 1 95 VAL QG 1 98 PHE H 5.000 . 7.400 4.193 2.401 4.840 . 0 0 "[ . 1 . 2]" 1
557 1 95 VAL H 1 96 GLN H 5.000 . 5.000 3.146 2.861 3.280 . 0 0 "[ . 1 . 2]" 1
558 1 95 VAL H 1 99 GLU HA 5.000 . 5.000 4.812 4.132 5.002 0.002 13 0 "[ . 1 . 2]" 1
559 1 96 GLN HA 1 97 GLY H 2.900 . 2.900 2.337 2.188 2.704 . 0 0 "[ . 1 . 2]" 1
560 1 96 GLN HA 1 98 PHE H 5.000 . 5.000 4.409 3.778 4.995 . 0 0 "[ . 1 . 2]" 1
561 1 96 GLN H 1 96 GLN QB 2.900 . 3.500 2.965 2.846 3.076 . 0 0 "[ . 1 . 2]" 1
562 1 96 GLN QB 1 97 GLY H 3.500 . 4.500 3.961 3.736 4.057 . 0 0 "[ . 1 . 2]" 1
563 1 96 GLN H 1 97 GLY H 5.000 . 5.000 3.472 2.705 4.039 . 0 0 "[ . 1 . 2]" 1
564 1 97 GLY QA 1 98 PHE H 3.500 . 4.500 2.675 2.503 2.899 . 0 0 "[ . 1 . 2]" 1
565 1 97 GLY H 1 98 PHE H 2.900 . 2.900 2.754 1.902 2.935 0.035 20 0 "[ . 1 . 2]" 1
566 1 97 GLY H 1 99 GLU H 3.500 . 3.500 3.186 2.584 3.484 . 0 0 "[ . 1 . 2]" 1
567 1 98 PHE HA 1 99 GLU H 3.500 . 3.500 2.758 2.543 2.976 . 0 0 "[ . 1 . 2]" 1
568 1 98 PHE H 1 98 PHE QB 3.500 . 4.100 2.475 2.220 2.941 . 0 0 "[ . 1 . 2]" 1
569 1 98 PHE QB 1 99 GLU H 5.000 . 6.000 3.919 3.790 4.026 . 0 0 "[ . 1 . 2]" 1
570 1 98 PHE H 1 98 PHE QD 3.500 . 5.500 3.399 1.734 4.401 0.066 20 0 "[ . 1 . 2]" 1
571 1 98 PHE H 1 99 GLU H 3.500 . 3.500 3.106 2.405 3.535 0.035 3 0 "[ . 1 . 2]" 1
572 1 99 GLU H 1 100 SER H 5.000 . 5.000 4.627 4.383 4.726 . 0 0 "[ . 1 . 2]" 1
573 1 99 GLU HA 1 100 SER H 2.900 . 2.900 2.582 2.315 2.930 0.030 8 0 "[ . 1 . 2]" 1
574 1 99 GLU QB 1 100 SER H 3.500 . 4.500 2.319 1.831 2.812 . 0 0 "[ . 1 . 2]" 1
575 1 99 GLU H 1 99 GLU QB 2.900 . 3.500 2.657 2.403 2.845 . 0 0 "[ . 1 . 2]" 1
576 1 99 GLU QG 1 100 SER H 5.000 . 6.000 4.074 3.660 4.456 . 0 0 "[ . 1 . 2]" 1
577 1 99 GLU H 1 104 LEU QD 3.500 . 5.900 3.813 3.217 4.166 . 0 0 "[ . 1 . 2]" 1
578 1 100 SER HA 1 101 ALA H 2.900 . 2.900 2.473 2.342 2.740 . 0 0 "[ . 1 . 2]" 1
579 1 100 SER QB 1 101 ALA H 2.900 . 3.900 2.776 1.870 3.409 . 0 0 "[ . 1 . 2]" 1
580 1 100 SER QB 1 102 THR H 2.900 . 3.900 2.949 2.336 3.535 . 0 0 "[ . 1 . 2]" 1
581 1 100 SER H 1 101 ALA H 5.000 . 5.000 4.583 4.409 4.671 . 0 0 "[ . 1 . 2]" 1
582 1 100 SER H 1 103 PHE QB 5.000 . 6.000 2.554 1.822 2.913 . 0 0 "[ . 1 . 2]" 1
583 1 100 SER H 1 103 PHE QD 5.000 . 7.000 3.698 2.942 4.519 . 0 0 "[ . 1 . 2]" 1
584 1 100 SER H 1 103 PHE H 5.000 . 5.000 3.877 3.525 4.379 . 0 0 "[ . 1 . 2]" 1
585 1 100 SER H 1 104 LEU QB 5.000 . 6.000 5.046 4.446 5.251 . 0 0 "[ . 1 . 2]" 1
586 1 100 SER H 1 104 LEU QD 5.000 . 7.400 3.874 3.355 4.302 . 0 0 "[ . 1 . 2]" 1
587 1 101 ALA H 1 101 ALA HA 2.900 . 2.900 2.911 2.855 2.947 0.047 14 0 "[ . 1 . 2]" 1
588 1 101 ALA HA 1 102 THR H 3.500 . 3.500 3.543 3.484 3.603 0.103 14 0 "[ . 1 . 2]" 1
589 1 101 ALA HA 1 104 LEU H 3.500 . 3.500 3.495 3.461 3.522 0.022 8 0 "[ . 1 . 2]" 1
590 1 101 ALA H 1 101 ALA MB 2.900 . 4.000 2.264 2.259 2.273 . 0 0 "[ . 1 . 2]" 1
591 1 101 ALA MB 1 102 THR H 2.900 . 4.400 2.636 2.084 2.917 . 0 0 "[ . 1 . 2]" 1
592 1 101 ALA H 1 102 THR H 2.900 . 2.900 2.616 2.466 2.829 . 0 0 "[ . 1 . 2]" 1
593 1 101 ALA H 1 103 PHE H 5.000 . 5.000 4.492 3.740 4.972 . 0 0 "[ . 1 . 2]" 1
594 1 102 THR H 1 102 THR HA 2.900 . 2.900 2.891 2.823 2.929 0.029 13 0 "[ . 1 . 2]" 1
595 1 102 THR HA 1 103 PHE H 3.500 . 3.500 3.590 3.557 3.599 0.099 3 0 "[ . 1 . 2]" 1
596 1 102 THR HA 1 105 GLY H 5.000 . 5.000 3.401 3.263 3.588 . 0 0 "[ . 1 . 2]" 1
597 1 102 THR H 1 102 THR HB 2.900 . 2.900 2.621 2.376 2.885 . 0 0 "[ . 1 . 2]" 1
598 1 102 THR HB 1 103 PHE H 2.900 . 2.900 2.282 2.033 2.704 . 0 0 "[ . 1 . 2]" 1
599 1 102 THR H 1 102 THR MG 3.500 . 5.000 3.766 3.712 3.791 . 0 0 "[ . 1 . 2]" 1
600 1 102 THR MG 1 103 PHE H 3.500 . 5.000 3.306 2.674 3.790 . 0 0 "[ . 1 . 2]" 1
601 1 102 THR H 1 103 PHE H 2.900 . 2.900 2.809 2.625 2.918 0.018 18 0 "[ . 1 . 2]" 1
602 1 103 PHE H 1 103 PHE HA 2.900 . 2.900 2.872 2.838 2.935 0.035 9 0 "[ . 1 . 2]" 1
603 1 103 PHE HA 1 106 TYR H 5.000 . 5.000 3.563 3.308 3.836 . 0 0 "[ . 1 . 2]" 1
604 1 103 PHE H 1 103 PHE QB 2.900 . 3.500 2.264 2.231 2.286 . 0 0 "[ . 1 . 2]" 1
605 1 103 PHE QB 1 104 LEU H 3.500 . 4.500 2.540 2.352 2.847 . 0 0 "[ . 1 . 2]" 1
606 1 103 PHE H 1 103 PHE QD 3.500 . 5.500 4.186 4.143 4.215 . 0 0 "[ . 1 . 2]" 1
607 1 103 PHE QD 1 104 LEU H 5.000 . 7.000 3.089 2.723 3.596 . 0 0 "[ . 1 . 2]" 1
608 1 103 PHE H 1 104 LEU H 3.500 . 3.500 2.774 2.648 2.885 . 0 0 "[ . 1 . 2]" 1
609 1 104 LEU H 1 104 LEU HA 2.900 . 2.900 2.921 2.896 2.940 0.040 14 0 "[ . 1 . 2]" 1
610 1 104 LEU HA 1 107 PHE H 3.500 . 3.500 3.420 3.157 3.490 . 0 0 "[ . 1 . 2]" 1
611 1 104 LEU H 1 104 LEU QB 3.500 . 4.100 2.311 2.190 2.444 . 0 0 "[ . 1 . 2]" 1
612 1 104 LEU QB 1 105 GLY H 3.500 . 4.500 2.869 2.340 3.194 . 0 0 "[ . 1 . 2]" 1
613 1 104 LEU H 1 104 LEU QD 2.900 . 4.600 3.163 3.050 3.294 . 0 0 "[ . 1 . 2]" 1
614 1 104 LEU QD 1 105 GLY H 5.000 . 7.400 4.219 3.898 4.371 . 0 0 "[ . 1 . 2]" 1
615 1 104 LEU H 1 104 LEU HG 2.900 . 2.900 2.550 2.184 2.920 0.020 19 0 "[ . 1 . 2]" 1
616 1 104 LEU H 1 105 GLY H 3.500 . 3.500 2.560 2.495 2.731 . 0 0 "[ . 1 . 2]" 1
617 1 105 GLY QA 1 106 TYR H 3.500 . 4.500 2.748 2.606 2.870 . 0 0 "[ . 1 . 2]" 1
618 1 105 GLY H 1 106 TYR H 2.900 . 2.900 2.613 2.328 2.889 . 0 0 "[ . 1 . 2]" 1
619 1 106 TYR H 1 106 TYR HA 2.900 . 2.900 2.939 2.877 2.992 0.092 13 0 "[ . 1 . 2]" 1
620 1 106 TYR HA 1 107 PHE H 5.000 . 5.000 3.576 3.438 3.613 . 0 0 "[ . 1 . 2]" 1
621 1 106 TYR H 1 106 TYR QB 2.900 . 3.500 2.189 2.066 2.350 . 0 0 "[ . 1 . 2]" 1
622 1 106 TYR QB 1 107 PHE H 5.000 . 6.000 2.600 2.325 3.125 . 0 0 "[ . 1 . 2]" 1
623 1 106 TYR H 1 106 TYR QD 2.900 . 4.900 3.421 2.032 4.251 . 0 0 "[ . 1 . 2]" 1
624 1 106 TYR QD 1 107 PHE H 5.000 . 7.000 4.290 4.091 4.451 . 0 0 "[ . 1 . 2]" 1
625 1 106 TYR H 1 106 TYR QE 5.000 . 7.000 5.568 4.407 6.285 . 0 0 "[ . 1 . 2]" 1
626 1 106 TYR QE 1 107 PHE H 5.000 . 7.000 6.421 6.260 6.522 . 0 0 "[ . 1 . 2]" 1
627 1 106 TYR H 1 107 PHE QD 3.500 . 5.500 4.450 3.963 5.065 . 0 0 "[ . 1 . 2]" 1
628 1 107 PHE HA 1 108 LYS H 2.900 . 2.900 2.478 2.182 2.752 . 0 0 "[ . 1 . 2]" 1
629 1 107 PHE H 1 107 PHE QB 2.900 . 3.500 2.579 2.328 3.008 . 0 0 "[ . 1 . 2]" 1
630 1 107 PHE QB 1 108 LYS H 3.500 . 4.500 3.858 3.507 3.939 . 0 0 "[ . 1 . 2]" 1
631 1 107 PHE QB 1 110 GLY H 5.000 . 6.000 3.562 2.923 4.081 . 0 0 "[ . 1 . 2]" 1
632 1 107 PHE H 1 107 PHE QD 2.900 . 4.900 2.840 2.405 3.762 . 0 0 "[ . 1 . 2]" 1
633 1 107 PHE QD 1 108 LYS H 5.000 . 7.000 4.703 4.033 4.985 . 0 0 "[ . 1 . 2]" 1
634 1 107 PHE H 1 108 LYS H 5.000 . 5.000 3.666 3.005 4.361 . 0 0 "[ . 1 . 2]" 1
635 1 107 PHE H 1 111 LEU QD 5.000 . 7.400 4.811 4.265 5.388 . 0 0 "[ . 1 . 2]" 1
636 1 108 LYS H 1 108 LYS HA 2.900 . 2.900 2.980 2.880 3.015 0.115 18 0 "[ . 1 . 2]" 1
637 1 108 LYS HA 1 109 SER H 3.500 . 3.500 3.537 3.419 3.600 0.100 11 0 "[ . 1 . 2]" 1
638 1 108 LYS H 1 108 LYS QB 2.900 . 3.500 2.481 2.259 3.021 . 0 0 "[ . 1 . 2]" 1
639 1 108 LYS QB 1 109 SER H 2.900 . 3.900 2.823 2.014 3.420 . 0 0 "[ . 1 . 2]" 1
640 1 108 LYS QB 1 110 GLY H 5.000 . 6.000 4.480 3.988 4.910 . 0 0 "[ . 1 . 2]" 1
641 1 108 LYS H 1 108 LYS QG 3.500 . 4.500 3.455 1.678 4.073 0.122 9 0 "[ . 1 . 2]" 1
642 1 108 LYS QG 1 109 SER H 3.500 . 4.500 3.302 1.674 4.096 0.126 1 0 "[ . 1 . 2]" 1
643 1 108 LYS H 1 109 SER H 2.900 . 2.900 2.360 2.102 2.895 . 0 0 "[ . 1 . 2]" 1
644 1 108 LYS H 1 110 GLY H 5.000 . 5.000 3.662 3.011 4.366 . 0 0 "[ . 1 . 2]" 1
645 1 109 SER H 1 109 SER HA 2.900 . 2.900 2.964 2.845 3.019 0.119 1 0 "[ . 1 . 2]" 1
646 1 109 SER HA 1 110 GLY H 3.500 . 3.500 3.301 3.190 3.558 0.058 14 0 "[ . 1 . 2]" 1
647 1 109 SER H 1 109 SER QB 2.900 . 3.500 2.383 2.269 2.686 . 0 0 "[ . 1 . 2]" 1
648 1 109 SER QB 1 110 GLY H 2.900 . 3.900 3.410 2.646 3.566 . 0 0 "[ . 1 . 2]" 1
649 1 109 SER H 1 110 GLY H 2.900 . 2.900 2.509 2.217 2.817 . 0 0 "[ . 1 . 2]" 1
650 1 110 GLY QA 1 111 LEU H 2.900 . 3.900 2.310 2.161 2.790 . 0 0 "[ . 1 . 2]" 1
651 1 110 GLY H 1 111 LEU H 3.500 . 3.500 3.404 2.255 3.567 0.067 1 0 "[ . 1 . 2]" 1
652 1 111 LEU HA 1 112 LYS H 3.500 . 3.500 2.567 2.169 3.476 . 0 0 "[ . 1 . 2]" 1
653 1 111 LEU H 1 111 LEU QB 2.900 . 3.500 3.128 2.771 3.346 . 0 0 "[ . 1 . 2]" 1
654 1 111 LEU QB 1 112 LYS H 2.900 . 3.900 3.082 1.663 3.725 0.137 8 0 "[ . 1 . 2]" 1
655 1 111 LEU H 1 111 LEU QD 3.500 . 5.200 2.189 1.756 3.392 0.044 6 0 "[ . 1 . 2]" 1
656 1 111 LEU QD 1 112 LYS H 5.000 . 7.400 3.237 1.643 4.524 0.157 8 0 "[ . 1 . 2]" 1
657 1 111 LEU H 1 112 LYS H 3.500 . 3.500 3.616 3.525 3.680 0.180 9 0 "[ . 1 . 2]" 1
658 1 112 LYS HA 1 113 TYR H 2.900 . 2.900 2.208 2.168 2.291 . 0 0 "[ . 1 . 2]" 1
659 1 112 LYS H 1 112 LYS QB 2.900 . 3.500 2.799 2.256 3.260 . 0 0 "[ . 1 . 2]" 1
660 1 112 LYS QB 1 113 TYR H 3.500 . 4.500 3.792 3.276 3.986 . 0 0 "[ . 1 . 2]" 1
661 1 112 LYS QG 1 113 TYR H 3.500 . 4.500 3.413 2.926 3.819 . 0 0 "[ . 1 . 2]" 1
662 1 112 LYS H 1 113 TYR H 5.000 . 5.000 3.904 3.432 4.462 . 0 0 "[ . 1 . 2]" 1
663 1 113 TYR HA 1 114 LYS H 2.900 . 2.900 2.205 2.193 2.212 . 0 0 "[ . 1 . 2]" 1
664 1 113 TYR H 1 113 TYR QB 2.900 . 3.500 2.873 2.644 3.100 . 0 0 "[ . 1 . 2]" 1
665 1 113 TYR QB 1 114 LYS H 5.000 . 6.000 3.575 3.526 3.590 . 0 0 "[ . 1 . 2]" 1
666 1 113 TYR H 1 113 TYR QD 3.500 . 5.500 2.633 2.273 3.065 . 0 0 "[ . 1 . 2]" 1
667 1 113 TYR QD 1 114 LYS H 5.000 . 7.000 4.680 4.314 4.952 . 0 0 "[ . 1 . 2]" 1
668 1 113 TYR H 1 113 TYR QE 5.000 . 7.000 3.701 3.363 4.275 . 0 0 "[ . 1 . 2]" 1
669 1 113 TYR H 1 114 LYS H 5.000 . 5.000 4.381 4.245 4.444 . 0 0 "[ . 1 . 2]" 1
670 1 114 LYS HA 1 115 LYS H 2.900 . 2.900 2.215 2.184 2.349 . 0 0 "[ . 1 . 2]" 1
671 1 114 LYS H 1 114 LYS QB 3.500 . 4.100 2.408 2.288 2.561 . 0 0 "[ . 1 . 2]" 1
672 1 114 LYS QB 1 115 LYS H 3.500 . 4.500 3.607 3.146 3.924 . 0 0 "[ . 1 . 2]" 1
673 1 114 LYS QG 1 115 LYS H 5.000 . 6.000 3.552 2.131 4.512 . 0 0 "[ . 1 . 2]" 1
674 1 114 LYS H 1 115 LYS H 5.000 . 5.000 4.368 4.162 4.564 . 0 0 "[ . 1 . 2]" 1
675 1 115 LYS HA 1 116 GLY H 2.900 . 2.900 2.236 2.181 2.460 . 0 0 "[ . 1 . 2]" 1
676 1 115 LYS H 1 115 LYS QB 2.900 . 3.500 2.413 2.103 2.855 . 0 0 "[ . 1 . 2]" 1
677 1 115 LYS QB 1 116 GLY H 3.500 . 4.500 3.187 2.407 3.598 . 0 0 "[ . 1 . 2]" 1
678 1 115 LYS H 1 115 LYS QG 2.900 . 3.900 2.368 1.830 3.569 . 0 0 "[ . 1 . 2]" 1
679 1 115 LYS QG 1 116 GLY H 3.500 . 4.500 3.922 3.407 4.087 . 0 0 "[ . 1 . 2]" 1
680 1 116 GLY QA 1 117 GLY H 2.900 . 3.900 2.379 2.155 2.953 . 0 0 "[ . 1 . 2]" 1
681 1 116 GLY H 1 117 GLY H 5.000 . 5.000 3.757 2.079 4.739 . 0 0 "[ . 1 . 2]" 1
682 1 117 GLY H 1 118 VAL H 5.000 . 5.000 2.915 1.941 4.554 . 0 0 "[ . 1 . 2]" 1
683 1 118 VAL HA 1 119 ALA H 3.500 . 3.500 3.516 3.417 3.600 0.100 1 0 "[ . 1 . 2]" 1
684 1 118 VAL HB 1 119 ALA H 3.500 . 3.500 2.925 1.990 3.519 0.019 14 0 "[ . 1 . 2]" 1
685 1 118 VAL QG 1 119 ALA H 3.500 . 5.900 3.187 1.914 3.537 . 0 0 "[ . 1 . 2]" 1
686 1 118 VAL QG 1 120 SER H 5.000 . 7.400 4.332 3.894 4.602 . 0 0 "[ . 1 . 2]" 1
687 1 118 VAL H 1 119 ALA H 3.500 . 3.500 2.516 1.805 3.200 . 0 0 "[ . 1 . 2]" 1
688 1 119 ALA H 1 119 ALA HA 2.900 . 2.900 2.899 2.808 2.968 0.068 13 0 "[ . 1 . 2]" 1
689 1 119 ALA HA 1 120 SER H 3.500 . 3.500 3.517 3.486 3.553 0.053 14 0 "[ . 1 . 2]" 1
690 1 119 ALA H 1 119 ALA MB 2.900 . 4.000 2.266 2.239 2.283 . 0 0 "[ . 1 . 2]" 1
691 1 119 ALA MB 1 120 SER H 3.500 . 5.000 2.788 2.626 2.894 . 0 0 "[ . 1 . 2]" 1
692 1 119 ALA MB 1 122 PHE H 5.000 . 6.500 5.066 4.448 5.426 . 0 0 "[ . 1 . 2]" 1
693 1 119 ALA H 1 120 SER H 3.500 . 3.500 2.590 2.356 2.833 . 0 0 "[ . 1 . 2]" 1
694 1 120 SER HA 1 121 GLY H 2.900 . 2.900 3.203 3.201 3.204 0.304 7 0 "[ . 1 . 2]" 1
695 1 120 SER HA 1 122 PHE H 5.000 . 5.000 3.680 3.096 4.742 . 0 0 "[ . 1 . 2]" 1
696 1 120 SER H 1 120 SER QB 2.900 . 3.500 2.355 2.247 2.510 . 0 0 "[ . 1 . 2]" 1
697 1 120 SER QB 1 121 GLY H 2.900 . 3.900 3.469 3.466 3.477 . 0 0 "[ . 1 . 2]" 1
698 1 120 SER H 1 121 GLY H 3.500 . 3.500 2.531 2.159 2.745 . 0 0 "[ . 1 . 2]" 1
699 1 121 GLY QA 1 122 PHE H 2.900 . 3.900 2.808 2.562 2.898 . 0 0 "[ . 1 . 2]" 1
700 1 121 GLY H 1 122 PHE H 2.900 . 2.900 2.599 2.380 2.867 . 0 0 "[ . 1 . 2]" 1
701 1 122 PHE HA 1 123 LYS H 3.500 . 3.500 3.510 3.461 3.556 0.056 1 0 "[ . 1 . 2]" 1
702 1 122 PHE H 1 122 PHE QB 2.900 . 3.500 2.399 2.201 2.766 . 0 0 "[ . 1 . 2]" 1
703 1 122 PHE QB 1 123 LYS H 2.900 . 3.900 2.957 2.665 3.578 . 0 0 "[ . 1 . 2]" 1
704 1 122 PHE H 1 122 PHE QD 2.900 . 4.900 2.507 1.856 4.054 . 0 0 "[ . 1 . 2]" 1
705 1 122 PHE QD 1 123 LYS H 5.000 . 7.000 4.102 2.113 4.643 . 0 0 "[ . 1 . 2]" 1
706 1 122 PHE H 1 123 LYS H 2.900 . 2.900 2.591 2.317 2.823 . 0 0 "[ . 1 . 2]" 1
707 1 123 LYS H 1 123 LYS HA 2.900 . 2.900 2.902 2.747 2.979 0.079 1 0 "[ . 1 . 2]" 1
708 1 123 LYS H 1 123 LYS QB 2.900 . 3.500 2.313 2.218 2.506 . 0 0 "[ . 1 . 2]" 1
709 1 124 HIS HA 1 125 VAL H 2.900 . 2.900 2.363 2.185 2.815 . 0 0 "[ . 1 . 2]" 1
710 1 124 HIS QB 1 125 VAL H 3.500 . 4.500 3.389 1.894 4.043 . 0 0 "[ . 1 . 2]" 1
711 1 125 VAL HA 1 126 VAL H 2.900 . 2.900 2.230 2.185 2.288 . 0 0 "[ . 1 . 2]" 1
712 1 125 VAL H 1 125 VAL HB 2.900 . 2.900 2.717 2.397 2.923 0.023 8 0 "[ . 1 . 2]" 1
713 1 125 VAL H 1 125 VAL QG 2.900 . 4.600 2.231 1.785 2.977 0.015 6 0 "[ . 1 . 2]" 1
714 1 126 VAL H 1 126 VAL HB 2.900 . 2.900 2.746 2.425 2.910 0.010 12 0 "[ . 1 . 2]" 1
715 1 126 VAL H 1 126 VAL QG 2.900 . 4.600 2.512 1.821 3.086 . 0 0 "[ . 1 . 2]" 1
716 1 127 PRO HA 1 128 ASN H 2.900 . 2.900 2.275 2.197 2.438 . 0 0 "[ . 1 . 2]" 1
717 1 127 PRO QB 1 128 ASN H 3.500 . 4.500 3.116 2.696 3.407 . 0 0 "[ . 1 . 2]" 1
718 1 128 ASN H 1 128 ASN HA 2.900 . 2.900 2.853 2.363 3.009 0.109 17 0 "[ . 1 . 2]" 1
719 1 128 ASN HA 1 129 GLU H 2.900 . 2.900 2.395 2.193 2.911 0.011 17 0 "[ . 1 . 2]" 1
720 1 128 ASN H 1 128 ASN QB 2.900 . 3.500 2.618 2.212 3.233 . 0 0 "[ . 1 . 2]" 1
721 1 128 ASN QB 1 129 GLU H 3.500 . 4.500 3.125 1.925 4.047 . 0 0 "[ . 1 . 2]" 1
722 1 129 GLU HA 1 130 VAL H 3.500 . 3.500 3.484 3.455 3.527 0.027 6 0 "[ . 1 . 2]" 1
723 1 129 GLU H 1 129 GLU QB 2.900 . 3.500 2.524 2.193 2.901 . 0 0 "[ . 1 . 2]" 1
724 1 129 GLU H 1 129 GLU QG 3.500 . 4.500 2.569 1.781 4.034 0.019 7 0 "[ . 1 . 2]" 1
725 1 129 GLU QG 1 130 VAL H 5.000 . 6.000 3.584 2.023 4.597 . 0 0 "[ . 1 . 2]" 1
726 1 130 VAL H 1 130 VAL HB 2.900 . 2.900 2.571 2.379 2.913 0.013 20 0 "[ . 1 . 2]" 1
727 1 130 VAL H 1 130 VAL QG 3.500 . 5.200 2.011 1.708 2.334 0.092 10 0 "[ . 1 . 2]" 1
728 1 131 VAL H 1 131 VAL HA 2.900 . 2.900 2.878 2.811 2.947 0.047 3 0 "[ . 1 . 2]" 1
729 1 131 VAL H 1 131 VAL HB 2.900 . 2.900 2.536 2.353 2.776 . 0 0 "[ . 1 . 2]" 1
730 1 131 VAL H 1 131 VAL QG 2.900 . 4.600 2.078 1.718 2.424 0.082 15 0 "[ . 1 . 2]" 1
731 1 132 VAL H 1 132 VAL HA 2.900 . 2.900 2.911 2.837 2.939 0.039 7 0 "[ . 1 . 2]" 1
732 1 132 VAL HA 1 133 GLN H 3.500 . 3.500 3.526 3.518 3.541 0.041 13 0 "[ . 1 . 2]" 1
733 1 132 VAL H 1 132 VAL HB 2.900 . 2.900 2.560 2.376 2.770 . 0 0 "[ . 1 . 2]" 1
734 1 132 VAL HB 1 133 GLN H 2.900 . 2.900 2.879 2.818 2.903 0.003 6 0 "[ . 1 . 2]" 1
735 1 132 VAL H 1 132 VAL QG 2.900 . 4.600 2.018 1.755 2.349 0.045 4 0 "[ . 1 . 2]" 1
736 1 132 VAL QG 1 133 GLN H 3.500 . 5.900 3.363 3.268 3.399 . 0 0 "[ . 1 . 2]" 1
737 1 44 LEU QD 1 58 LEU HA 5.000 . 7.000 2.530 2.093 3.679 . 0 0 "[ . 1 . 2]" 1
738 1 44 LEU QD 1 56 TYR QD 5.000 . 8.000 2.266 1.690 3.161 0.110 7 0 "[ . 1 . 2]" 1
739 1 44 LEU QD 1 56 TYR QE 5.000 . 8.000 3.446 2.406 4.077 . 0 0 "[ . 1 . 2]" 1
740 1 5 PHE QD 1 81 LEU QD 3.500 . 6.500 3.603 2.294 4.389 . 0 0 "[ . 1 . 2]" 1
741 1 6 LEU QD 1 84 TYR QE 3.500 . 7.000 2.928 1.857 4.500 . 0 0 "[ . 1 . 2]" 1
742 1 5 PHE HA 1 8 ALA MB 3.500 . 5.000 3.330 2.725 3.762 . 0 0 "[ . 1 . 2]" 1
743 1 8 ALA HA 1 17 TRP HZ2 5.000 . 5.000 2.964 2.452 5.014 0.014 18 0 "[ . 1 . 2]" 1
744 1 8 ALA MB 1 17 TRP HH2 3.500 . 5.000 2.067 1.931 2.467 . 0 0 "[ . 1 . 2]" 1
745 1 8 ALA MB 1 17 TRP HZ2 3.500 . 5.000 3.565 2.610 3.944 . 0 0 "[ . 1 . 2]" 1
746 1 8 ALA MB 1 17 TRP HE3 3.500 . 5.000 4.032 3.886 4.148 . 0 0 "[ . 1 . 2]" 1
747 1 17 TRP HH2 1 44 LEU QD 5.000 . 6.500 2.694 1.809 3.354 . 0 0 "[ . 1 . 2]" 1
748 1 17 TRP HZ2 1 44 LEU QD 5.000 . 6.500 4.390 1.982 4.897 . 0 0 "[ . 1 . 2]" 1
749 1 17 TRP HE3 1 44 LEU QD 5.000 . 6.500 3.380 2.997 4.815 . 0 0 "[ . 1 . 2]" 1
750 1 44 LEU QD 1 85 LEU QD 3.500 . 6.500 2.339 1.902 2.965 . 0 0 "[ . 1 . 2]" 1
751 1 9 GLY QA 1 44 LEU QD 3.500 . 6.500 3.653 3.024 3.935 . 0 0 "[ . 1 . 2]" 1
752 1 8 ALA MB 1 85 LEU QD 3.500 . 5.000 2.069 1.739 2.578 0.061 16 0 "[ . 1 . 2]" 1
753 1 8 ALA MB 1 44 LEU QD 3.500 . 6.500 2.315 1.776 3.406 0.024 5 0 "[ . 1 . 2]" 1
754 1 8 ALA MB 1 81 LEU QD 3.500 . 6.500 3.361 3.119 3.563 . 0 0 "[ . 1 . 2]" 1
755 1 56 TYR QE 1 85 LEU QD 3.500 . 6.500 3.051 2.215 4.051 . 0 0 "[ . 1 . 2]" 1
756 1 14 LEU QD 1 16 ILE MD 3.500 . 6.500 2.547 2.072 2.764 . 0 0 "[ . 1 . 2]" 1
757 1 14 LEU QD 1 43 ILE HB 5.000 . 5.000 3.440 3.028 3.719 . 0 0 "[ . 1 . 2]" 1
758 1 14 LEU QD 1 43 ILE MG 3.500 . 6.500 1.962 1.775 2.159 0.025 20 0 "[ . 1 . 2]" 1
759 1 14 LEU QD 1 43 ILE MD 5.000 . 8.000 3.151 2.852 3.624 . 0 0 "[ . 1 . 2]" 1
760 1 14 LEU QD 1 32 TYR QD 5.000 . 8.000 5.026 4.335 5.291 . 0 0 "[ . 1 . 2]" 1
761 1 14 LEU QD 1 32 TYR QE 5.000 . 8.000 3.695 3.353 4.630 . 0 0 "[ . 1 . 2]" 1
762 1 14 LEU QD 1 106 TYR QD 5.000 . 8.000 2.630 2.235 2.977 . 0 0 "[ . 1 . 2]" 1
763 1 14 LEU QD 1 106 TYR QE 5.000 . 8.000 2.646 2.219 3.060 . 0 0 "[ . 1 . 2]" 1
764 1 14 LEU QD 1 107 PHE QE 5.000 . 8.000 2.871 2.031 3.933 . 0 0 "[ . 1 . 2]" 1
765 1 16 ILE MD 1 32 TYR HA 5.000 . 6.500 4.013 3.302 5.396 . 0 0 "[ . 1 . 2]" 1
766 1 16 ILE MD 1 32 TYR QB 5.000 . 8.000 4.352 2.669 5.137 . 0 0 "[ . 1 . 2]" 1
767 1 16 ILE MD 1 27 VAL QG 5.000 . 8.000 2.739 1.923 3.961 . 0 0 "[ . 1 . 2]" 1
768 1 16 ILE MD 1 107 PHE QD 5.000 . 8.000 4.621 4.063 5.956 . 0 0 "[ . 1 . 2]" 1
769 1 16 ILE MD 1 107 PHE QE 3.500 . 6.500 2.816 2.069 4.110 . 0 0 "[ . 1 . 2]" 1
770 1 16 ILE MD 1 107 PHE HZ 3.500 . 5.000 2.781 2.081 3.938 . 0 0 "[ . 1 . 2]" 1
771 1 16 ILE MG 1 41 TYR QE 5.000 . 8.000 4.252 2.341 5.413 . 0 0 "[ . 1 . 2]" 1
772 1 16 ILE MG 1 41 TYR QD 3.500 . 6.500 2.825 2.184 3.758 . 0 0 "[ . 1 . 2]" 1
773 1 16 ILE MG 1 43 ILE HA 5.000 . 6.500 3.627 3.279 4.060 . 0 0 "[ . 1 . 2]" 1
774 1 16 ILE MG 1 27 VAL HB 5.000 . 6.500 3.126 2.360 4.031 . 0 0 "[ . 1 . 2]" 1
775 1 16 ILE MG 1 107 PHE QE 3.500 . 6.500 4.108 3.398 4.676 . 0 0 "[ . 1 . 2]" 1
776 1 19 VAL QG 1 24 LEU QD 3.500 . 6.500 2.312 1.868 3.303 . 0 0 "[ . 1 . 2]" 1
777 1 19 VAL QG 1 40 ALA MB 3.500 . 6.500 2.505 1.901 3.281 . 0 0 "[ . 1 . 2]" 1
778 1 19 VAL QG 1 73 ALA MB 3.500 . 6.500 3.664 3.500 3.732 . 0 0 "[ . 1 . 2]" 1
779 1 19 VAL QG 1 74 ALA HA 3.500 . 5.000 2.800 2.288 3.470 . 0 0 "[ . 1 . 2]" 1
780 1 19 VAL QG 1 74 ALA MB 3.500 . 6.500 2.010 1.777 2.374 0.023 19 0 "[ . 1 . 2]" 1
781 1 19 VAL QG 1 77 PHE QD 3.500 . 6.500 4.317 3.432 5.089 . 0 0 "[ . 1 . 2]" 1
782 1 19 VAL QG 1 41 TYR HA 5.000 . 8.000 3.158 2.782 3.575 . 0 0 "[ . 1 . 2]" 1
783 1 22 PHE QD 1 73 ALA MB 3.500 . 6.500 3.523 2.598 4.260 . 0 0 "[ . 1 . 2]" 1
784 1 22 PHE QE 1 73 ALA MB 3.500 . 6.500 2.845 2.083 3.685 . 0 0 "[ . 1 . 2]" 1
785 1 19 VAL HA 1 24 LEU QD 5.000 . 6.500 2.866 2.317 3.652 . 0 0 "[ . 1 . 2]" 1
786 1 24 LEU QD 1 77 PHE QB 3.500 . 6.500 3.622 2.746 4.408 . 0 0 "[ . 1 . 2]" 1
787 1 24 LEU QD 1 77 PHE QD 3.500 . 6.500 3.900 2.288 5.120 . 0 0 "[ . 1 . 2]" 1
788 1 5 PHE QE 1 24 LEU QD 5.000 . 8.000 3.064 2.250 4.965 . 0 0 "[ . 1 . 2]" 1
789 1 27 VAL QG 1 41 TYR QD 3.500 . 6.500 3.034 2.233 3.551 . 0 0 "[ . 1 . 2]" 1
790 1 27 VAL QG 1 41 TYR QE 3.500 . 6.500 2.408 1.980 2.977 . 0 0 "[ . 1 . 2]" 1
791 1 17 TRP HA 1 27 VAL QG 5.000 . 6.500 3.882 2.808 4.541 . 0 0 "[ . 1 . 2]" 1
792 1 27 VAL QG 1 32 TYR QD 3.500 . 6.500 3.442 2.285 4.246 . 0 0 "[ . 1 . 2]" 1
793 1 29 THR MG 1 32 TYR QD 5.000 . 8.000 3.050 2.109 3.566 . 0 0 "[ . 1 . 2]" 1
794 1 37 THR MG 1 96 GLN QE 3.500 . 6.500 3.197 1.586 4.700 0.214 10 0 "[ . 1 . 2]" 1
795 1 37 THR MG 1 113 TYR QB 3.500 . 6.500 1.962 1.766 2.454 0.034 9 0 "[ . 1 . 2]" 1
796 1 37 THR MG 1 113 TYR QD 5.000 . 8.000 3.094 1.994 3.767 . 0 0 "[ . 1 . 2]" 1
797 1 37 THR MG 1 113 TYR HA 5.000 . 6.500 2.164 1.901 2.469 . 0 0 "[ . 1 . 2]" 1
798 1 37 THR MG 1 115 LYS HA 5.000 . 6.500 4.711 3.972 5.391 . 0 0 "[ . 1 . 2]" 1
799 1 19 VAL HB 1 40 ALA MB 5.000 . 6.500 3.277 2.975 3.922 . 0 0 "[ . 1 . 2]" 1
800 1 40 ALA MB 1 62 LEU QD 3.500 . 6.500 2.388 1.836 2.825 . 0 0 "[ . 1 . 2]" 1
801 1 24 LEU QD 1 42 VAL QG 3.500 . 6.500 3.137 2.304 3.473 . 0 0 "[ . 1 . 2]" 1
802 1 41 TYR QB 1 43 ILE MD 5.000 . 8.000 3.542 2.801 4.327 . 0 0 "[ . 1 . 2]" 1
803 1 43 ILE MD 1 59 HIS QB 5.000 . 8.000 2.833 2.072 4.802 . 0 0 "[ . 1 . 2]" 1
804 1 43 ILE MD 1 61 TRP QB 5.000 . 8.000 2.985 2.341 3.902 . 0 0 "[ . 1 . 2]" 1
805 1 43 ILE MD 1 60 TYR HA 5.000 . 6.500 4.688 4.257 5.064 . 0 0 "[ . 1 . 2]" 1
806 1 35 PHE QE 1 43 ILE MD 5.000 . 8.000 3.981 2.839 5.276 . 0 0 "[ . 1 . 2]" 1
807 1 43 ILE MD 1 103 PHE QD 3.500 . 6.500 2.552 1.972 3.276 . 0 0 "[ . 1 . 2]" 1
808 1 43 ILE MD 1 103 PHE QE 3.500 . 6.500 2.093 1.958 2.374 . 0 0 "[ . 1 . 2]" 1
809 1 43 ILE MG 1 106 TYR QD 5.000 . 8.000 5.155 4.853 5.473 . 0 0 "[ . 1 . 2]" 1
810 1 43 ILE MG 1 103 PHE QE 5.000 . 8.000 4.403 3.704 4.861 . 0 0 "[ . 1 . 2]" 1
811 1 43 ILE MG 1 106 TYR QE 5.000 . 8.000 5.591 5.161 6.061 . 0 0 "[ . 1 . 2]" 1
812 1 46 THR MG 1 56 TYR QD 5.000 . 8.000 3.074 2.123 4.092 . 0 0 "[ . 1 . 2]" 1
813 1 46 THR MG 1 56 TYR QE 5.000 . 8.000 2.694 2.030 3.730 . 0 0 "[ . 1 . 2]" 1
814 1 54 LEU QD 1 56 TYR QE 5.000 . 8.000 3.113 2.021 4.737 . 0 0 "[ . 1 . 2]" 1
815 1 60 TYR QE 1 62 LEU QD 5.000 . 6.500 3.697 3.504 3.882 . 0 0 "[ . 1 . 2]" 1
816 1 60 TYR QD 1 62 LEU QD 3.500 . 6.500 2.381 2.131 2.517 . 0 0 "[ . 1 . 2]" 1
817 1 62 LEU QD 1 71 SER QB 3.500 . 6.000 2.972 2.423 3.222 . 0 0 "[ . 1 . 2]" 1
818 1 62 LEU QD 1 71 SER HA 3.500 . 5.000 3.077 2.425 3.601 . 0 0 "[ . 1 . 2]" 1
819 1 62 LEU QD 1 74 ALA MB 3.500 . 6.500 3.389 3.071 3.703 . 0 0 "[ . 1 . 2]" 1
820 1 60 TYR QD 1 74 ALA MB 3.500 . 6.500 4.544 4.214 4.840 . 0 0 "[ . 1 . 2]" 1
821 1 60 TYR QD 1 78 THR MG 3.500 . 5.500 2.818 2.496 3.081 . 0 0 "[ . 1 . 2]" 1
822 1 60 TYR QE 1 78 THR MG 3.500 . 6.500 3.574 2.689 3.955 . 0 0 "[ . 1 . 2]" 1
823 1 60 TYR QE 1 75 ALA MB 3.500 . 6.500 3.230 2.436 3.628 . 0 0 "[ . 1 . 2]" 1
824 1 60 TYR QE 1 79 VAL QG 3.500 . 6.500 3.510 3.087 3.774 . 0 0 "[ . 1 . 2]" 1
825 1 42 VAL QG 1 74 ALA MB 3.500 . 6.500 2.218 2.009 2.447 . 0 0 "[ . 1 . 2]" 1
826 1 71 SER HA 1 74 ALA MB 3.500 . 5.000 3.049 2.782 3.344 . 0 0 "[ . 1 . 2]" 1
827 1 72 GLY QA 1 75 ALA MB 3.500 . 5.000 2.501 2.349 2.659 . 0 0 "[ . 1 . 2]" 1
828 1 73 ALA HA 1 76 ILE MD 3.500 . 5.000 3.941 3.258 4.247 . 0 0 "[ . 1 . 2]" 1
829 1 73 ALA HA 1 76 ILE MG 3.500 . 5.000 3.890 3.493 4.149 . 0 0 "[ . 1 . 2]" 1
830 1 75 ALA HA 1 78 THR MG 3.500 . 5.000 2.623 1.966 3.848 . 0 0 "[ . 1 . 2]" 1
831 1 82 ASP HA 1 85 LEU QD 3.500 . 5.000 2.682 1.993 3.408 . 0 0 "[ . 1 . 2]" 1
832 1 76 ILE MG 1 80 GLN QE 3.500 . 6.500 3.403 2.222 4.492 . 0 0 "[ . 1 . 2]" 1
833 1 56 TYR QD 1 85 LEU QD 3.500 . 6.500 3.045 2.163 3.816 . 0 0 "[ . 1 . 2]" 1
834 1 81 LEU QD 1 84 TYR HA 3.500 . 5.500 4.128 4.108 4.157 . 0 0 "[ . 1 . 2]" 1
835 1 81 LEU QD 1 84 TYR QD 5.000 . 8.000 2.412 2.079 2.997 . 0 0 "[ . 1 . 2]" 1
836 1 81 LEU QD 1 84 TYR QE 5.000 . 8.000 3.762 3.453 4.235 . 0 0 "[ . 1 . 2]" 1
837 1 33 GLY QA 1 111 LEU QD 5.000 . 8.000 4.589 4.031 5.276 . 0 0 "[ . 1 . 2]" 1
838 1 35 PHE QD 1 111 LEU QD 5.000 . 8.000 3.725 2.257 5.133 . 0 0 "[ . 1 . 2]" 1
839 1 35 PHE QE 1 111 LEU QD 5.000 . 8.000 3.200 2.354 4.391 . 0 0 "[ . 1 . 2]" 1
840 1 101 ALA HA 1 104 LEU QD 3.500 . 5.500 2.929 2.367 3.497 . 0 0 "[ . 1 . 2]" 1
841 1 99 GLU QB 1 104 LEU QD 3.500 . 6.500 2.187 1.873 2.787 . 0 0 "[ . 1 . 2]" 1
842 1 103 PHE QD 1 104 LEU QD 3.500 . 6.500 2.888 2.229 3.345 . 0 0 "[ . 1 . 2]" 1
843 1 104 LEU QD 1 111 LEU QD 3.500 . 6.500 2.677 2.165 3.167 . 0 0 "[ . 1 . 2]" 1
844 1 14 LEU QD 1 107 PHE QD 5.000 . 8.000 4.278 3.400 4.998 . 0 0 "[ . 1 . 2]" 1
845 1 111 LEU QD 1 113 TYR QD 5.000 . 8.000 4.197 2.650 5.283 . 0 0 "[ . 1 . 2]" 1
846 1 111 LEU QD 1 113 TYR QE 5.000 . 8.000 3.804 3.001 4.605 . 0 0 "[ . 1 . 2]" 1
847 1 84 TYR QD 1 85 LEU QD 5.000 . 8.000 2.850 2.426 4.094 . 0 0 "[ . 1 . 2]" 1
848 1 84 TYR QE 1 85 LEU QD 5.000 . 8.000 4.081 3.386 4.526 . 0 0 "[ . 1 . 2]" 1
849 1 85 LEU QD 1 89 ALA MB 5.000 . 8.000 4.427 3.871 4.667 . 0 0 "[ . 1 . 2]" 1
850 1 56 TYR QB 1 89 ALA MB 5.000 . 8.000 2.472 2.012 3.228 . 0 0 "[ . 1 . 2]" 1
851 1 92 HIS HE1 1 102 THR MG 5.000 . 7.000 4.288 3.242 5.140 . 0 0 "[ . 1 . 2]" 1
852 1 102 THR MG 1 106 TYR QE 5.000 . 8.000 4.686 2.656 5.772 . 0 0 "[ . 1 . 2]" 1
853 1 36 PHE QD 1 118 VAL QG 5.000 . 8.000 4.050 3.184 4.830 . 0 0 "[ . 1 . 2]" 1
854 1 119 ALA MB 1 122 PHE QD 5.000 . 8.000 4.545 3.646 5.391 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 88
_Distance_constraint_stats_list.Viol_count 327
_Distance_constraint_stats_list.Viol_total 1211.744
_Distance_constraint_stats_list.Viol_max 2.476
_Distance_constraint_stats_list.Viol_rms 0.1758
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0344
_Distance_constraint_stats_list.Viol_average_violations_only 0.1853
_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 4 GLU 0.111 0.042 11 0 "[ . 1 . 2]"
1 8 ALA 0.111 0.042 11 0 "[ . 1 . 2]"
1 13 GLY 0.296 0.067 2 0 "[ . 1 . 2]"
1 15 GLN 0.241 0.095 6 0 "[ . 1 . 2]"
1 17 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ARG 0.200 0.047 12 0 "[ . 1 . 2]"
1 19 VAL 0.145 0.022 6 0 "[ . 1 . 2]"
1 25 VAL 0.200 0.047 12 0 "[ . 1 . 2]"
1 28 PRO 0.000 0.000 20 0 "[ . 1 . 2]"
1 32 TYR 0.000 0.000 20 0 "[ . 1 . 2]"
1 33 GLY 39.283 2.476 15 20 [**************+-****]
1 35 PHE 0.196 0.034 11 0 "[ . 1 . 2]"
1 40 ALA 0.145 0.022 6 0 "[ . 1 . 2]"
1 41 TYR 0.314 0.056 13 0 "[ . 1 . 2]"
1 42 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ILE 0.153 0.046 11 0 "[ . 1 . 2]"
1 44 LEU 0.241 0.095 6 0 "[ . 1 . 2]"
1 45 LYS 0.472 0.075 11 0 "[ . 1 . 2]"
1 46 THR 0.296 0.067 2 0 "[ . 1 . 2]"
1 47 VAL 0.639 0.131 11 0 "[ . 1 . 2]"
1 55 GLN 0.639 0.131 11 0 "[ . 1 . 2]"
1 57 ASP 0.472 0.075 11 0 "[ . 1 . 2]"
1 58 LEU 0.509 0.081 6 0 "[ . 1 . 2]"
1 59 HIS 0.153 0.046 11 0 "[ . 1 . 2]"
1 60 TYR 0.923 0.098 8 0 "[ . 1 . 2]"
1 61 TRP 0.314 0.056 13 0 "[ . 1 . 2]"
1 62 LEU 0.215 0.052 19 0 "[ . 1 . 2]"
1 68 GLN 1.229 0.260 4 0 "[ . 1 . 2]"
1 69 ASP 13.795 0.669 19 5 "[ .* 1 * .** +2]"
1 70 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 GLY 1.344 0.260 4 0 "[ . 1 . 2]"
1 73 ALA 14.186 0.669 19 5 "[ .* 1 * .** +2]"
1 74 ALA 0.125 0.052 1 0 "[ . 1 . 2]"
1 75 ALA 0.056 0.030 15 0 "[ . 1 . 2]"
1 76 ILE 0.560 0.054 15 0 "[ . 1 . 2]"
1 77 PHE 0.396 0.049 2 0 "[ . 1 . 2]"
1 78 THR 0.315 0.052 1 0 "[ . 1 . 2]"
1 79 VAL 0.056 0.030 15 0 "[ . 1 . 2]"
1 80 GLN 0.512 0.046 19 0 "[ . 1 . 2]"
1 81 LEU 0.237 0.050 2 0 "[ . 1 . 2]"
1 82 ASP 0.190 0.047 14 0 "[ . 1 . 2]"
1 83 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 TYR 0.067 0.025 4 0 "[ . 1 . 2]"
1 85 LEU 0.232 0.050 2 0 "[ . 1 . 2]"
1 90 VAL 0.266 0.044 5 0 "[ . 1 . 2]"
1 92 HIS 1.018 0.098 8 0 "[ . 1 . 2]"
1 94 GLU 0.364 0.052 19 0 "[ . 1 . 2]"
1 100 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 ALA 0.231 0.039 17 0 "[ . 1 . 2]"
1 102 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 PHE 0.009 0.009 8 0 "[ . 1 . 2]"
1 104 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 GLY 0.231 0.039 17 0 "[ . 1 . 2]"
1 106 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 PHE 0.009 0.009 8 0 "[ . 1 . 2]"
1 112 LYS 39.464 2.476 15 20 [**************+-****]
1 114 LYS 0.014 0.008 9 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 33 GLY O 1 112 LYS H 2.200 . 2.200 3.587 2.995 4.676 2.476 15 20 [******-*******+*****] 2
2 1 33 GLY O 1 112 LYS N 3.300 2.200 3.300 3.877 3.413 4.444 1.144 18 13 "[****. * 1* ***- +**]" 2
3 1 35 PHE O 1 114 LYS H 2.200 . 2.200 2.186 2.169 2.208 0.008 9 0 "[ . 1 . 2]" 2
4 1 35 PHE O 1 114 LYS N 3.300 2.200 3.300 3.151 3.111 3.197 . 0 0 "[ . 1 . 2]" 2
5 1 35 PHE H 1 112 LYS O 2.200 . 2.200 2.203 2.154 2.234 0.034 11 0 "[ . 1 . 2]" 2
6 1 35 PHE N 1 112 LYS O 3.300 2.200 3.300 3.146 3.022 3.223 . 0 0 "[ . 1 . 2]" 2
7 1 13 GLY O 1 46 THR H 2.200 . 2.200 2.176 1.955 2.237 0.037 6 0 "[ . 1 . 2]" 2
8 1 13 GLY O 1 46 THR N 3.300 2.200 3.300 2.918 2.721 3.011 . 0 0 "[ . 1 . 2]" 2
9 1 15 GLN O 1 44 LEU H 2.200 . 2.200 2.165 2.014 2.295 0.095 6 0 "[ . 1 . 2]" 2
10 1 15 GLN O 1 44 LEU N 3.300 2.200 3.300 3.125 2.982 3.229 . 0 0 "[ . 1 . 2]" 2
11 1 17 TRP O 1 42 VAL H 2.200 . 2.200 2.020 1.815 2.174 . 0 0 "[ . 1 . 2]" 2
12 1 17 TRP O 1 42 VAL N 3.300 2.200 3.300 2.984 2.823 3.167 . 0 0 "[ . 1 . 2]" 2
13 1 13 GLY H 1 46 THR O 2.200 . 2.200 2.198 2.130 2.267 0.067 2 0 "[ . 1 . 2]" 2
14 1 13 GLY N 1 46 THR O 3.300 2.200 3.300 3.073 2.891 3.221 . 0 0 "[ . 1 . 2]" 2
15 1 15 GLN H 1 44 LEU O 2.200 . 2.200 2.150 1.927 2.249 0.049 8 0 "[ . 1 . 2]" 2
16 1 15 GLN N 1 44 LEU O 3.300 2.200 3.300 3.067 2.904 3.182 . 0 0 "[ . 1 . 2]" 2
17 1 17 TRP H 1 42 VAL O 2.200 . 2.200 2.064 1.906 2.194 . 0 0 "[ . 1 . 2]" 2
18 1 17 TRP N 1 42 VAL O 3.300 2.200 3.300 2.960 2.834 3.168 . 0 0 "[ . 1 . 2]" 2
19 1 19 VAL H 1 40 ALA O 2.200 . 2.200 2.204 2.184 2.222 0.022 6 0 "[ . 1 . 2]" 2
20 1 19 VAL N 1 40 ALA O 3.300 2.200 3.300 3.203 3.155 3.226 . 0 0 "[ . 1 . 2]" 2
21 1 18 ARG H 1 25 VAL O 2.200 . 2.200 1.968 1.753 2.182 0.047 12 0 "[ . 1 . 2]" 2
22 1 18 ARG N 1 25 VAL O 3.300 2.200 3.300 2.838 2.506 3.065 . 0 0 "[ . 1 . 2]" 2
23 1 47 VAL O 1 55 GLN H 2.200 . 2.200 2.127 1.915 2.331 0.131 11 0 "[ . 1 . 2]" 2
24 1 47 VAL O 1 55 GLN N 3.300 2.200 3.300 3.027 2.805 3.267 . 0 0 "[ . 1 . 2]" 2
25 1 45 LYS O 1 57 ASP H 2.200 . 2.200 2.015 1.725 2.200 0.075 11 0 "[ . 1 . 2]" 2
26 1 45 LYS O 1 57 ASP N 3.300 2.200 3.300 2.872 2.670 3.195 . 0 0 "[ . 1 . 2]" 2
27 1 43 ILE O 1 59 HIS H 2.200 . 2.200 2.138 1.860 2.246 0.046 11 0 "[ . 1 . 2]" 2
28 1 43 ILE O 1 59 HIS N 3.300 2.200 3.300 3.069 2.764 3.217 . 0 0 "[ . 1 . 2]" 2
29 1 41 TYR O 1 61 TRP H 2.200 . 2.200 1.955 1.744 2.189 0.056 13 0 "[ . 1 . 2]" 2
30 1 41 TYR O 1 61 TRP N 3.300 2.200 3.300 2.913 2.720 3.076 . 0 0 "[ . 1 . 2]" 2
31 1 41 TYR H 1 61 TRP O 2.200 . 2.200 2.191 2.066 2.228 0.028 5 0 "[ . 1 . 2]" 2
32 1 41 TYR N 1 61 TRP O 3.300 2.200 3.300 3.156 3.036 3.219 . 0 0 "[ . 1 . 2]" 2
33 1 43 ILE H 1 59 HIS O 2.200 . 2.200 2.170 2.059 2.212 0.012 9 0 "[ . 1 . 2]" 2
34 1 43 ILE N 1 59 HIS O 3.300 2.200 3.300 3.056 2.909 3.207 . 0 0 "[ . 1 . 2]" 2
35 1 45 LYS H 1 57 ASP O 2.200 . 2.200 2.199 1.950 2.252 0.052 17 0 "[ . 1 . 2]" 2
36 1 45 LYS N 1 57 ASP O 3.300 2.200 3.300 2.994 2.801 3.158 . 0 0 "[ . 1 . 2]" 2
37 1 47 VAL H 1 55 GLN O 2.200 . 2.200 1.914 1.750 2.099 0.050 13 0 "[ . 1 . 2]" 2
38 1 47 VAL N 1 55 GLN O 3.300 2.200 3.300 2.868 2.717 3.046 . 0 0 "[ . 1 . 2]" 2
39 1 62 LEU H 1 94 GLU O 2.200 . 2.200 1.915 1.748 2.171 0.052 19 0 "[ . 1 . 2]" 2
40 1 62 LEU N 1 94 GLU O 3.300 2.200 3.300 2.881 2.661 3.169 . 0 0 "[ . 1 . 2]" 2
41 1 60 TYR H 1 92 HIS O 2.200 . 2.200 2.238 2.195 2.298 0.098 8 0 "[ . 1 . 2]" 2
42 1 60 TYR N 1 92 HIS O 3.300 2.200 3.300 3.178 3.121 3.222 . 0 0 "[ . 1 . 2]" 2
43 1 58 LEU H 1 90 VAL O 2.200 . 2.200 1.867 1.756 2.194 0.044 5 0 "[ . 1 . 2]" 2
44 1 58 LEU N 1 90 VAL O 3.300 2.200 3.300 2.799 2.557 3.121 . 0 0 "[ . 1 . 2]" 2
45 1 58 LEU O 1 92 HIS H 2.200 . 2.200 1.923 1.719 2.198 0.081 6 0 "[ . 1 . 2]" 2
46 1 58 LEU O 1 92 HIS N 3.300 2.200 3.300 2.653 2.394 2.846 . 0 0 "[ . 1 . 2]" 2
47 1 60 TYR O 1 94 GLU H 2.200 . 2.200 2.172 1.918 2.229 0.029 17 0 "[ . 1 . 2]" 2
48 1 60 TYR O 1 94 GLU N 3.300 2.200 3.300 3.105 2.883 3.190 . 0 0 "[ . 1 . 2]" 2
49 1 4 GLU O 1 8 ALA H 2.200 . 2.200 2.070 1.758 2.210 0.042 11 0 "[ . 1 . 2]" 2
50 1 4 GLU O 1 8 ALA N 3.300 2.200 3.300 2.889 2.399 3.176 . 0 0 "[ . 1 . 2]" 2
51 1 28 PRO O 1 32 TYR H 2.200 . 2.200 2.173 1.994 2.200 0.000 20 0 "[ . 1 . 2]" 2
52 1 28 PRO O 1 32 TYR N 3.300 2.200 3.300 3.009 2.505 3.172 . 0 0 "[ . 1 . 2]" 2
53 1 103 PHE O 1 107 PHE H 2.200 . 2.200 2.104 1.856 2.209 0.009 8 0 "[ . 1 . 2]" 2
54 1 103 PHE O 1 107 PHE N 3.300 2.200 3.300 3.075 2.811 3.211 . 0 0 "[ . 1 . 2]" 2
55 1 102 THR O 1 106 TYR H 2.200 . 2.200 2.156 1.892 2.195 . 0 0 "[ . 1 . 2]" 2
56 1 102 THR O 1 106 TYR N 3.300 2.200 3.300 3.087 2.739 3.178 . 0 0 "[ . 1 . 2]" 2
57 1 101 ALA O 1 105 GLY H 2.200 . 2.200 1.922 1.761 2.155 0.039 17 0 "[ . 1 . 2]" 2
58 1 101 ALA O 1 105 GLY N 3.300 2.200 3.300 2.684 2.346 2.910 . 0 0 "[ . 1 . 2]" 2
59 1 100 SER O 1 104 LEU H 2.200 . 2.200 2.108 1.883 2.181 . 0 0 "[ . 1 . 2]" 2
60 1 100 SER O 1 104 LEU N 3.300 2.200 3.300 3.072 2.801 3.169 . 0 0 "[ . 1 . 2]" 2
61 1 68 GLN O 1 72 GLY H 2.200 . 2.200 2.154 1.781 2.460 0.260 4 0 "[ . 1 . 2]" 2
62 1 68 GLN O 1 72 GLY N 3.300 2.200 3.300 3.028 2.665 3.357 0.057 4 0 "[ . 1 . 2]" 2
63 1 69 ASP O 1 73 ALA H 2.200 . 2.200 2.642 2.461 2.869 0.669 19 5 "[ .* 1 - .** +2]" 2
64 1 69 ASP O 1 73 ALA N 3.300 2.200 3.300 3.548 3.321 3.813 0.513 19 1 "[ . 1 . +2]" 2
65 1 70 GLU O 1 74 ALA H 2.200 . 2.200 2.174 2.153 2.187 . 0 0 "[ . 1 . 2]" 2
66 1 70 GLU O 1 74 ALA N 3.300 2.200 3.300 3.120 3.044 3.179 . 0 0 "[ . 1 . 2]" 2
67 1 71 SER O 1 75 ALA H 2.200 . 2.200 2.171 1.964 2.199 . 0 0 "[ . 1 . 2]" 2
68 1 71 SER O 1 75 ALA N 3.300 2.200 3.300 3.142 2.971 3.190 . 0 0 "[ . 1 . 2]" 2
69 1 72 GLY O 1 76 ILE H 2.200 . 2.200 1.948 1.746 2.194 0.054 15 0 "[ . 1 . 2]" 2
70 1 72 GLY O 1 76 ILE N 3.300 2.200 3.300 2.766 2.566 2.922 . 0 0 "[ . 1 . 2]" 2
71 1 73 ALA O 1 77 PHE H 2.200 . 2.200 1.819 1.751 2.103 0.049 2 0 "[ . 1 . 2]" 2
72 1 73 ALA O 1 77 PHE N 3.300 2.200 3.300 2.803 2.706 3.084 . 0 0 "[ . 1 . 2]" 2
73 1 74 ALA O 1 78 THR H 2.200 . 2.200 1.938 1.748 2.132 0.052 1 0 "[ . 1 . 2]" 2
74 1 74 ALA O 1 78 THR N 3.300 2.200 3.300 2.872 2.654 3.117 . 0 0 "[ . 1 . 2]" 2
75 1 75 ALA O 1 79 VAL H 2.200 . 2.200 2.075 1.770 2.190 0.030 15 0 "[ . 1 . 2]" 2
76 1 75 ALA O 1 79 VAL N 3.300 2.200 3.300 2.959 2.686 3.079 . 0 0 "[ . 1 . 2]" 2
77 1 76 ILE O 1 80 GLN H 2.200 . 2.200 1.806 1.754 2.003 0.046 19 0 "[ . 1 . 2]" 2
78 1 76 ILE O 1 80 GLN N 3.300 2.200 3.300 2.758 2.610 3.008 . 0 0 "[ . 1 . 2]" 2
79 1 77 PHE O 1 81 LEU H 2.200 . 2.200 2.190 2.179 2.204 0.004 10 0 "[ . 1 . 2]" 2
80 1 77 PHE O 1 81 LEU N 3.300 2.200 3.300 3.054 2.916 3.160 . 0 0 "[ . 1 . 2]" 2
81 1 78 THR O 1 82 ASP H 2.200 . 2.200 1.989 1.753 2.201 0.047 14 0 "[ . 1 . 2]" 2
82 1 78 THR O 1 82 ASP N 3.300 2.200 3.300 2.873 2.634 3.078 . 0 0 "[ . 1 . 2]" 2
83 1 79 VAL O 1 83 ASP H 2.200 . 2.200 2.169 2.072 2.193 . 0 0 "[ . 1 . 2]" 2
84 1 79 VAL O 1 83 ASP N 3.300 2.200 3.300 3.123 3.047 3.161 . 0 0 "[ . 1 . 2]" 2
85 1 80 GLN O 1 84 TYR H 2.200 . 2.200 2.194 2.170 2.225 0.025 4 0 "[ . 1 . 2]" 2
86 1 80 GLN O 1 84 TYR N 3.300 2.200 3.300 3.057 2.953 3.135 . 0 0 "[ . 1 . 2]" 2
87 1 81 LEU O 1 85 LEU H 2.200 . 2.200 1.912 1.750 2.212 0.050 2 0 "[ . 1 . 2]" 2
88 1 81 LEU O 1 85 LEU N 3.300 2.200 3.300 2.671 2.485 2.991 . 0 0 "[ . 1 . 2]" 2
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