NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
425679 |
2go0   |
6231 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2go0
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 1047
_Distance_constraint_stats_list.Viol_count 2067
_Distance_constraint_stats_list.Viol_total 3492.186
_Distance_constraint_stats_list.Viol_max 0.884
_Distance_constraint_stats_list.Viol_rms 0.0422
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0083
_Distance_constraint_stats_list.Viol_average_violations_only 0.0845
_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 1 ARG 0.310 0.046 13 0 "[ . 1 . 2]"
1 2 CYS 2.702 0.145 11 0 "[ . 1 . 2]"
1 3 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 LYS 5.020 0.182 20 0 "[ . 1 . 2]"
1 5 GLY 2.514 0.143 14 0 "[ . 1 . 2]"
1 6 SER 5.741 0.182 20 0 "[ . 1 . 2]"
1 7 LYS 2.141 0.105 10 0 "[ . 1 . 2]"
1 8 ALA 0.051 0.015 6 0 "[ . 1 . 2]"
1 9 TYR 6.709 0.884 4 8 "[* +* *-* * .* 2]"
1 10 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 SER 2.484 0.201 14 0 "[ . 1 . 2]"
1 12 HIS 6.308 0.207 9 0 "[ . 1 . 2]"
1 13 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 TYR 4.016 0.131 6 0 "[ . 1 . 2]"
1 15 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 LEU 0.240 0.062 5 0 "[ . 1 . 2]"
1 17 PHE 4.727 0.234 2 0 "[ . 1 . 2]"
1 18 LEU 3.243 0.178 5 0 "[ . 1 . 2]"
1 19 SER 7.371 0.234 2 0 "[ . 1 . 2]"
1 20 PRO 1.311 0.069 9 0 "[ . 1 . 2]"
1 21 LYS 5.640 0.242 19 0 "[ . 1 . 2]"
1 22 SER 8.539 0.426 8 0 "[ . 1 . 2]"
1 23 TRP 8.280 0.426 8 0 "[ . 1 . 2]"
1 24 THR 12.375 0.218 8 0 "[ . 1 . 2]"
1 25 ASP 0.389 0.034 6 0 "[ . 1 . 2]"
1 26 ALA 1.400 0.094 5 0 "[ . 1 . 2]"
1 27 ASP 6.374 0.163 6 0 "[ . 1 . 2]"
1 28 LEU 0.017 0.011 5 0 "[ . 1 . 2]"
1 29 ALA 0.144 0.022 17 0 "[ . 1 . 2]"
1 30 CYS 2.031 0.134 19 0 "[ . 1 . 2]"
1 31 GLN 0.934 0.061 11 0 "[ . 1 . 2]"
1 32 LYS 3.971 0.191 2 0 "[ . 1 . 2]"
1 33 ARG 4.249 0.250 8 0 "[ . 1 . 2]"
1 34 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 SER 2.300 0.164 8 0 "[ . 1 . 2]"
1 36 GLY 8.202 0.250 8 0 "[ . 1 . 2]"
1 37 ASN 1.254 0.113 8 0 "[ . 1 . 2]"
1 38 LEU 2.124 0.134 19 0 "[ . 1 . 2]"
1 39 VAL 0.331 0.043 3 0 "[ . 1 . 2]"
1 40 SER 1.616 0.104 17 0 "[ . 1 . 2]"
1 41 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 LEU 1.930 0.105 10 0 "[ . 1 . 2]"
1 43 SER 0.407 0.019 7 0 "[ . 1 . 2]"
1 44 GLY 0.078 0.013 12 0 "[ . 1 . 2]"
1 45 ALA 0.124 0.021 12 0 "[ . 1 . 2]"
1 46 GLU 0.094 0.015 18 0 "[ . 1 . 2]"
1 47 GLY 0.089 0.019 7 0 "[ . 1 . 2]"
1 48 SER 0.124 0.021 12 0 "[ . 1 . 2]"
1 49 PHE 0.092 0.032 4 0 "[ . 1 . 2]"
1 50 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 SER 0.009 0.006 19 0 "[ . 1 . 2]"
1 52 SER 0.092 0.032 4 0 "[ . 1 . 2]"
1 53 LEU 0.009 0.006 19 0 "[ . 1 . 2]"
1 54 VAL 0.004 0.002 11 0 "[ . 1 . 2]"
1 55 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 SER 0.121 0.019 6 0 "[ . 1 . 2]"
1 57 ILE 4.730 0.215 16 0 "[ . 1 . 2]"
1 58 GLY 3.962 0.215 16 0 "[ . 1 . 2]"
1 59 ASN 3.622 0.508 2 1 "[ + . 1 . 2]"
1 60 SER 0.004 0.002 20 0 "[ . 1 . 2]"
1 61 TYR 10.787 0.615 6 11 "[*****+*- 1 * *. * 2]"
1 62 SER 12.022 0.615 6 11 "[*****+*- 1 * *. * 2]"
1 63 TYR 2.049 0.068 6 0 "[ . 1 . 2]"
1 64 VAL 3.441 0.161 8 0 "[ . 1 . 2]"
1 65 TRP 2.867 0.135 3 0 "[ . 1 . 2]"
1 66 ILE 8.054 0.254 7 0 "[ . 1 . 2]"
1 67 GLY 4.868 0.207 14 0 "[ . 1 . 2]"
1 68 LEU 4.685 0.172 4 0 "[ . 1 . 2]"
1 69 HIS 8.136 0.172 4 0 "[ . 1 . 2]"
1 70 ASP 5.318 0.154 17 0 "[ . 1 . 2]"
1 71 PRO 0.091 0.030 2 0 "[ . 1 . 2]"
1 72 THR 0.102 0.039 11 0 "[ . 1 . 2]"
1 73 GLN 0.091 0.030 2 0 "[ . 1 . 2]"
1 74 GLY 0.031 0.005 17 0 "[ . 1 . 2]"
1 75 THR 0.039 0.010 14 0 "[ . 1 . 2]"
1 76 GLU 0.163 0.085 16 0 "[ . 1 . 2]"
1 77 PRO 0.491 0.080 5 0 "[ . 1 . 2]"
1 78 ASN 0.386 0.080 5 0 "[ . 1 . 2]"
1 79 GLY 0.173 0.059 8 0 "[ . 1 . 2]"
1 80 GLU 0.456 0.085 16 0 "[ . 1 . 2]"
1 81 GLY 0.400 0.076 18 0 "[ . 1 . 2]"
1 82 TRP 0.698 0.076 18 0 "[ . 1 . 2]"
1 83 GLU 3.580 0.123 4 0 "[ . 1 . 2]"
1 84 TRP 4.689 0.253 6 0 "[ . 1 . 2]"
1 85 SER 8.711 0.350 4 0 "[ . 1 . 2]"
1 86 SER 1.243 0.073 8 0 "[ . 1 . 2]"
1 87 SER 13.806 0.393 13 0 "[ . 1 . 2]"
1 88 ASP 6.956 0.393 13 0 "[ . 1 . 2]"
1 89 VAL 1.207 0.203 5 0 "[ . 1 . 2]"
1 90 MET 1.443 0.203 5 0 "[ . 1 . 2]"
1 91 ASN 1.757 0.105 10 0 "[ . 1 . 2]"
1 92 TYR 0.301 0.018 7 0 "[ . 1 . 2]"
1 93 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 ALA 0.167 0.017 18 0 "[ . 1 . 2]"
1 95 TRP 0.142 0.017 18 0 "[ . 1 . 2]"
1 96 GLU 7.427 0.557 20 7 "[*- .* *1 ** . +]"
1 97 ARG 7.328 0.557 20 7 "[*- .* *1 ** . +]"
1 98 ASN 0.052 0.012 13 0 "[ . 1 . 2]"
1 99 PRO 0.080 0.016 17 0 "[ . 1 . 2]"
1 100 SER 0.027 0.010 6 0 "[ . 1 . 2]"
1 101 THR 0.056 0.022 1 0 "[ . 1 . 2]"
1 102 ILE 5.098 0.535 9 6 "[ - * +1 *.* *2]"
1 103 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 PRO 4.802 0.535 9 6 "[ - * +1 *.* *2]"
1 106 GLY 0.061 0.014 13 0 "[ . 1 . 2]"
1 107 HIS 0.352 0.034 2 0 "[ . 1 . 2]"
1 108 CYS 0.735 0.061 17 0 "[ . 1 . 2]"
1 109 ALA 3.088 0.254 7 0 "[ . 1 . 2]"
1 110 SER 0.882 0.060 19 0 "[ . 1 . 2]"
1 111 LEU 0.019 0.012 17 0 "[ . 1 . 2]"
1 112 SER 2.963 0.088 6 0 "[ . 1 . 2]"
1 113 ARG 1.848 0.098 10 0 "[ . 1 . 2]"
1 114 SER 0.004 0.004 7 0 "[ . 1 . 2]"
1 115 THR 0.226 0.029 1 0 "[ . 1 . 2]"
1 116 ALA 0.250 0.036 17 0 "[ . 1 . 2]"
1 117 PHE 0.108 0.034 17 0 "[ . 1 . 2]"
1 118 LEU 0.050 0.018 19 0 "[ . 1 . 2]"
1 119 ARG 0.158 0.034 17 0 "[ . 1 . 2]"
1 120 TRP 0.213 0.029 12 0 "[ . 1 . 2]"
1 121 LYS 3.714 0.155 14 0 "[ . 1 . 2]"
1 122 ASP 3.096 0.155 14 0 "[ . 1 . 2]"
1 123 TYR 0.623 0.038 7 0 "[ . 1 . 2]"
1 124 ASN 1.161 0.545 8 1 "[ . + 1 . 2]"
1 125 CYS 0.128 0.039 6 0 "[ . 1 . 2]"
1 126 ASN 4.834 0.218 8 0 "[ . 1 . 2]"
1 127 VAL 0.853 0.049 13 0 "[ . 1 . 2]"
1 128 ARG 4.040 0.242 19 0 "[ . 1 . 2]"
1 129 LEU 0.385 0.041 17 0 "[ . 1 . 2]"
1 130 PRO 0.017 0.012 1 0 "[ . 1 . 2]"
1 131 TYR 2.503 0.161 8 0 "[ . 1 . 2]"
1 132 VAL 4.078 0.220 4 0 "[ . 1 . 2]"
1 133 CYS 0.930 0.051 7 0 "[ . 1 . 2]"
1 134 LYS 1.534 0.104 17 0 "[ . 1 . 2]"
1 135 PHE 7.367 0.207 9 0 "[ . 1 . 2]"
1 136 THR 0.787 0.099 16 0 "[ . 1 . 2]"
1 137 ASP 0.753 0.099 16 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 1 ARG HA 1 2 CYS H 2.200 . 2.200 2.211 2.193 2.246 0.046 13 0 "[ . 1 . 2]" 1
2 1 1 ARG HB2 1 2 CYS H 4.500 . 4.500 4.338 4.153 4.485 . 0 0 "[ . 1 . 2]" 1
3 1 1 ARG HG3 1 2 CYS H 4.500 . 4.500 3.416 2.611 4.524 0.024 20 0 "[ . 1 . 2]" 1
4 1 1 ARG HG2 1 2 CYS H 4.285 . 4.285 3.207 2.530 4.130 . 0 0 "[ . 1 . 2]" 1
5 1 2 CYS H 1 2 CYS HA 2.815 . 2.815 2.935 2.931 2.960 0.145 11 0 "[ . 1 . 2]" 1
6 1 2 CYS HA 1 3 PRO QD 5.000 . 5.000 2.037 1.979 2.107 . 0 0 "[ . 1 . 2]" 1
7 1 2 CYS HA 1 3 PRO HA 5.000 . 5.000 4.433 4.399 4.470 . 0 0 "[ . 1 . 2]" 1
8 1 3 PRO HA 1 4 LYS HA 4.500 . 4.500 4.385 4.376 4.394 . 0 0 "[ . 1 . 2]" 1
9 1 3 PRO HA 1 4 LYS QB 5.500 . 5.500 4.668 4.562 4.769 . 0 0 "[ . 1 . 2]" 1
10 1 4 LYS H 1 6 SER H . . 3.979 4.141 4.113 4.161 0.182 20 0 "[ . 1 . 2]" 1
11 1 3 PRO HA 1 4 LYS H 3.000 . 3.000 2.394 2.385 2.403 . 0 0 "[ . 1 . 2]" 1
12 1 4 LYS H 1 5 GLY H 5.000 . 5.000 4.627 4.605 4.637 . 0 0 "[ . 1 . 2]" 1
13 1 4 LYS H 1 4 LYS HA 2.779 . 2.779 2.867 2.838 2.900 0.121 8 0 "[ . 1 . 2]" 1
14 1 4 LYS H 1 4 LYS QE 5.000 . 5.000 4.050 2.727 4.781 . 0 0 "[ . 1 . 2]" 1
15 1 5 GLY QA 1 6 SER H . . 4.500 2.888 2.870 2.900 . 0 0 "[ . 1 . 2]" 1
16 1 4 LYS HA 1 5 GLY H 2.335 . 2.335 2.276 2.241 2.350 0.015 5 0 "[ . 1 . 2]" 1
17 1 4 LYS QB 1 5 GLY H 5.500 . 5.500 2.865 2.631 2.959 . 0 0 "[ . 1 . 2]" 1
18 1 5 GLY H 1 6 SER HA 5.500 . 5.500 5.180 5.125 5.209 . 0 0 "[ . 1 . 2]" 1
19 1 5 GLY H 1 6 SER H . . 2.480 2.605 2.592 2.623 0.143 14 0 "[ . 1 . 2]" 1
20 1 6 SER HA 1 7 LYS HA 5.000 . 5.000 4.494 4.472 4.514 . 0 0 "[ . 1 . 2]" 1
21 1 6 SER QB 1 15 ALA HA 4.200 . 4.200 3.145 2.673 3.639 . 0 0 "[ . 1 . 2]" 1
22 1 6 SER QB 1 15 ALA MB 5.000 . 5.000 2.694 2.249 3.227 . 0 0 "[ . 1 . 2]" 1
23 1 6 SER QB 1 135 PHE QE 5.000 . 5.000 4.133 3.819 4.277 . 0 0 "[ . 1 . 2]" 1
24 1 6 SER HA 1 15 ALA MB 5.000 . 5.000 3.482 3.233 3.672 . 0 0 "[ . 1 . 2]" 1
25 1 6 SER HA 1 15 ALA HA . . 2.800 2.428 2.275 2.741 . 0 0 "[ . 1 . 2]" 1
26 1 4 LYS QB 1 6 SER H 4.500 . 4.500 4.126 4.088 4.165 . 0 0 "[ . 1 . 2]" 1
27 1 7 LYS HA 1 7 LYS QD 5.000 . 5.000 2.920 2.221 4.121 . 0 0 "[ . 1 . 2]" 1
28 1 7 LYS HA 1 8 ALA H 3.000 . 3.000 2.222 2.198 2.250 . 0 0 "[ . 1 . 2]" 1
29 1 7 LYS HA 1 8 ALA HA 5.000 . 5.000 4.425 4.407 4.441 . 0 0 "[ . 1 . 2]" 1
30 1 7 LYS QB 1 53 LEU MD1 5.500 . 5.500 3.607 3.413 3.832 . 0 0 "[ . 1 . 2]" 1
31 1 7 LYS QG 1 53 LEU MD1 . . 5.000 2.594 2.217 3.020 . 0 0 "[ . 1 . 2]" 1
32 1 7 LYS H 1 14 TYR QB 5.000 . 5.000 2.743 2.422 2.834 . 0 0 "[ . 1 . 2]" 1
33 1 7 LYS H 1 15 ALA HA 5.000 . 5.000 3.733 3.622 3.982 . 0 0 "[ . 1 . 2]" 1
34 1 7 LYS H 1 53 LEU MD1 5.000 . 5.000 4.034 3.995 4.074 . 0 0 "[ . 1 . 2]" 1
35 1 7 LYS H 1 14 TYR HA 4.500 . 4.500 4.571 4.535 4.605 0.105 10 0 "[ . 1 . 2]" 1
36 1 7 LYS H 1 14 TYR H 3.000 . 3.000 3.026 2.970 3.050 0.050 17 0 "[ . 1 . 2]" 1
37 1 6 SER HA 1 7 LYS H 2.643 . 2.643 2.286 2.248 2.341 . 0 0 "[ . 1 . 2]" 1
38 1 6 SER QB 1 7 LYS H 5.000 . 5.000 3.048 2.782 3.536 . 0 0 "[ . 1 . 2]" 1
39 1 6 SER H 1 7 LYS H 5.000 . 5.000 4.620 4.572 4.644 . 0 0 "[ . 1 . 2]" 1
40 1 7 LYS H 1 8 ALA H 5.000 . 5.000 4.399 4.371 4.428 . 0 0 "[ . 1 . 2]" 1
41 1 7 LYS H 1 7 LYS HA 3.063 . 3.063 3.000 2.984 3.006 . 0 0 "[ . 1 . 2]" 1
42 1 7 LYS H 1 7 LYS QE 4.500 . 4.500 4.300 4.096 4.432 . 0 0 "[ . 1 . 2]" 1
43 1 8 ALA MB 1 12 HIS H 5.000 . 5.000 3.922 3.881 3.975 . 0 0 "[ . 1 . 2]" 1
44 1 8 ALA H 1 8 ALA HA . . 3.073 2.945 2.929 2.955 . 0 0 "[ . 1 . 2]" 1
45 1 8 ALA HA 1 12 HIS H 5.000 . 5.000 4.213 4.077 4.261 . 0 0 "[ . 1 . 2]" 1
46 1 8 ALA HA 1 14 TYR HE1 5.000 . 5.000 3.749 3.545 3.983 . 0 0 "[ . 1 . 2]" 1
47 1 7 LYS HB2 1 8 ALA H 5.500 . 5.500 4.010 3.066 4.220 . 0 0 "[ . 1 . 2]" 1
48 1 8 ALA H 1 8 ALA MB 3.303 . 3.303 2.287 2.216 2.325 . 0 0 "[ . 1 . 2]" 1
49 1 9 TYR H 1 14 TYR HD1 4.117 . 4.117 2.974 2.392 3.250 . 0 0 "[ . 1 . 2]" 1
50 1 9 TYR H 1 14 TYR HE1 4.000 . 4.000 2.387 2.098 2.640 . 0 0 "[ . 1 . 2]" 1
51 1 8 ALA HA 1 9 TYR H 2.357 . 2.357 2.302 2.173 2.372 0.015 6 0 "[ . 1 . 2]" 1
52 1 8 ALA H 1 9 TYR H 5.000 . 5.000 4.616 4.514 4.639 . 0 0 "[ . 1 . 2]" 1
53 1 9 TYR H 1 9 TYR HA 3.101 . 3.101 2.909 2.877 2.981 . 0 0 "[ . 1 . 2]" 1
54 1 9 TYR HA 1 9 TYR HD1 3.000 . 3.000 3.301 2.788 3.884 0.884 4 8 "[* +* *-* * .* 2]" 1
55 1 9 TYR HA 1 9 TYR HD2 5.000 . 5.000 3.476 2.961 4.003 . 0 0 "[ . 1 . 2]" 1
56 1 10 GLY QA 1 11 SER H 5.000 . 5.000 2.436 2.379 2.488 . 0 0 "[ . 1 . 2]" 1
57 1 9 TYR HA 1 10 GLY H 2.454 . 2.454 2.252 2.207 2.357 . 0 0 "[ . 1 . 2]" 1
58 1 9 TYR QB 1 10 GLY H 5.500 . 5.500 3.604 3.400 3.721 . 0 0 "[ . 1 . 2]" 1
59 1 10 GLY H 1 11 SER H 5.000 . 5.000 3.884 3.766 4.006 . 0 0 "[ . 1 . 2]" 1
60 1 11 SER H 1 12 HIS HD2 . . 4.000 2.483 2.164 2.926 . 0 0 "[ . 1 . 2]" 1
61 1 11 SER H 1 12 HIS H . . 3.000 1.942 1.796 2.212 0.004 5 0 "[ . 1 . 2]" 1
62 1 11 SER H 1 11 SER HA 3.041 . 3.041 2.856 2.831 2.880 . 0 0 "[ . 1 . 2]" 1
63 1 12 HIS HD2 1 134 LYS QE 5.000 . 5.000 3.602 2.603 4.516 . 0 0 "[ . 1 . 2]" 1
64 1 12 HIS HD2 1 134 LYS QG 5.500 . 5.500 4.574 4.294 4.693 . 0 0 "[ . 1 . 2]" 1
65 1 12 HIS HD1 1 134 LYS QG 5.000 . 5.000 3.433 3.133 3.896 . 0 0 "[ . 1 . 2]" 1
66 1 12 HIS HD1 1 135 PHE H 4.000 . 4.000 3.990 3.731 4.029 0.029 14 0 "[ . 1 . 2]" 1
67 1 12 HIS HD1 1 135 PHE HA 4.000 . 4.000 2.794 2.535 2.908 . 0 0 "[ . 1 . 2]" 1
68 1 12 HIS HD1 1 136 THR MG 5.000 . 5.000 3.783 2.350 4.212 . 0 0 "[ . 1 . 2]" 1
69 1 12 HIS HA 1 136 THR HA 2.800 . 2.800 2.313 2.259 2.506 . 0 0 "[ . 1 . 2]" 1
70 1 12 HIS HA 1 136 THR MG 5.000 . 5.000 2.578 2.390 2.730 . 0 0 "[ . 1 . 2]" 1
71 1 10 GLY QA 1 12 HIS H 5.000 . 5.000 4.128 4.048 4.265 . 0 0 "[ . 1 . 2]" 1
72 1 11 SER HA 1 12 HIS H 2.839 . 2.839 2.962 2.822 3.040 0.201 14 0 "[ . 1 . 2]" 1
73 1 12 HIS H 1 12 HIS HA 3.043 . 3.043 2.946 2.920 2.964 . 0 0 "[ . 1 . 2]" 1
74 1 12 HIS H 1 12 HIS HD2 5.000 . 5.000 3.135 2.684 3.737 . 0 0 "[ . 1 . 2]" 1
75 1 13 CYS H 1 136 THR HA 3.800 . 3.800 2.619 2.506 2.842 . 0 0 "[ . 1 . 2]" 1
76 1 13 CYS H 1 136 THR MG 5.000 . 5.000 3.993 3.871 4.051 . 0 0 "[ . 1 . 2]" 1
77 1 13 CYS H 1 135 PHE H 3.800 . 3.800 2.621 2.364 2.883 . 0 0 "[ . 1 . 2]" 1
78 1 12 HIS QB 1 13 CYS H 5.000 . 5.000 2.778 2.636 2.945 . 0 0 "[ . 1 . 2]" 1
79 1 12 HIS HD1 1 13 CYS H 5.000 . 5.000 4.560 4.177 4.877 . 0 0 "[ . 1 . 2]" 1
80 1 12 HIS H 1 13 CYS H 5.000 . 5.000 4.357 4.273 4.402 . 0 0 "[ . 1 . 2]" 1
81 1 9 TYR QB 1 14 TYR HE1 5.000 . 5.000 2.573 2.378 2.919 . 0 0 "[ . 1 . 2]" 1
82 1 12 HIS QB 1 14 TYR HE1 5.000 . 5.000 2.783 2.631 2.946 . 0 0 "[ . 1 . 2]" 1
83 1 13 CYS HA 1 14 TYR HA 5.000 . 5.000 4.439 4.429 4.446 . 0 0 "[ . 1 . 2]" 1
84 1 6 SER QB 1 14 TYR H 5.000 . 5.000 3.890 3.656 4.352 . 0 0 "[ . 1 . 2]" 1
85 1 14 TYR HA 1 134 LYS HA 3.800 . 3.800 2.231 2.162 2.272 . 0 0 "[ . 1 . 2]" 1
86 1 14 TYR HA 1 135 PHE QE 3.800 . 3.800 3.472 3.102 3.793 . 0 0 "[ . 1 . 2]" 1
87 1 14 TYR HA 1 135 PHE H 3.800 . 3.800 3.894 3.842 3.931 0.131 6 0 "[ . 1 . 2]" 1
88 1 8 ALA HA 1 14 TYR H 4.500 . 4.500 2.773 2.703 2.936 . 0 0 "[ . 1 . 2]" 1
89 1 7 LYS HA 1 14 TYR H 4.500 . 4.500 4.489 4.435 4.528 0.028 18 0 "[ . 1 . 2]" 1
90 1 7 LYS QB 1 14 TYR H 5.500 . 5.500 4.172 3.982 4.840 . 0 0 "[ . 1 . 2]" 1
91 1 9 TYR QB 1 14 TYR H 5.500 . 5.500 4.897 4.748 4.968 . 0 0 "[ . 1 . 2]" 1
92 1 9 TYR H 1 14 TYR H 5.000 . 5.000 4.411 3.984 4.622 . 0 0 "[ . 1 . 2]" 1
93 1 13 CYS HA 1 14 TYR H 2.763 . 2.763 2.205 2.193 2.211 . 0 0 "[ . 1 . 2]" 1
94 1 13 CYS QB 1 14 TYR H 5.000 . 5.000 3.503 3.242 3.763 . 0 0 "[ . 1 . 2]" 1
95 1 15 ALA H 1 132 VAL MG1 5.000 . 5.000 2.676 2.291 2.954 . 0 0 "[ . 1 . 2]" 1
96 1 15 ALA H 1 133 CYS QB 5.000 . 5.000 3.712 3.445 4.032 . 0 0 "[ . 1 . 2]" 1
97 1 15 ALA H 1 135 PHE QE . . 3.800 3.134 2.620 3.793 . 0 0 "[ . 1 . 2]" 1
98 1 15 ALA H 1 133 CYS H . . 3.000 2.460 2.313 2.676 . 0 0 "[ . 1 . 2]" 1
99 1 15 ALA HA 1 53 LEU MD1 5.000 . 5.000 3.926 3.803 3.988 . 0 0 "[ . 1 . 2]" 1
100 1 15 ALA HA 1 53 LEU MD2 5.000 . 5.000 3.998 3.956 4.040 . 0 0 "[ . 1 . 2]" 1
101 1 14 TYR HA 1 15 ALA H 2.682 . 2.682 2.273 2.201 2.372 . 0 0 "[ . 1 . 2]" 1
102 1 14 TYR QB 1 15 ALA H 5.000 . 5.000 2.870 2.595 3.160 . 0 0 "[ . 1 . 2]" 1
103 1 16 LEU HA 1 132 VAL H 5.000 . 5.000 4.989 4.889 5.062 0.062 5 0 "[ . 1 . 2]" 1
104 1 16 LEU HA 1 132 VAL HB 5.500 . 5.500 4.783 4.671 4.921 . 0 0 "[ . 1 . 2]" 1
105 1 16 LEU HA 1 132 VAL MG1 5.500 . 5.500 3.068 2.960 3.225 . 0 0 "[ . 1 . 2]" 1
106 1 16 LEU HA 1 133 CYS H . . 4.000 3.910 3.815 4.037 0.037 19 0 "[ . 1 . 2]" 1
107 1 16 LEU H 1 53 LEU MD1 5.000 . 5.000 3.160 2.872 3.325 . 0 0 "[ . 1 . 2]" 1
108 1 16 LEU H 1 53 LEU MD2 5.000 . 5.000 3.790 3.485 3.925 . 0 0 "[ . 1 . 2]" 1
109 1 16 LEU QB 1 53 LEU HG 4.500 2.500 4.500 2.631 2.502 2.865 . 0 0 "[ . 1 . 2]" 1
110 1 16 LEU QB 1 53 LEU MD2 5.000 . 5.000 2.773 2.573 3.016 . 0 0 "[ . 1 . 2]" 1
111 1 16 LEU QB 1 132 VAL MG2 5.000 . 5.000 2.498 2.248 2.948 . 0 0 "[ . 1 . 2]" 1
112 1 15 ALA HA 1 16 LEU H 3.000 . 3.000 2.209 2.177 2.241 . 0 0 "[ . 1 . 2]" 1
113 1 6 SER HA 1 16 LEU H 5.000 . 5.000 3.862 3.620 4.190 . 0 0 "[ . 1 . 2]" 1
114 1 17 PHE QB 1 130 PRO HA 5.500 . 5.500 4.687 4.374 4.915 . 0 0 "[ . 1 . 2]" 1
115 1 16 LEU HG 1 17 PHE HA 4.000 . 4.000 3.692 3.606 3.874 . 0 0 "[ . 1 . 2]" 1
116 1 17 PHE HA 1 18 LEU H . . 2.502 2.183 2.177 2.191 . 0 0 "[ . 1 . 2]" 1
117 1 17 PHE H 1 132 VAL HA 5.000 . 5.000 3.184 3.101 3.248 . 0 0 "[ . 1 . 2]" 1
118 1 16 LEU HA 1 17 PHE H 2.758 . 2.758 2.219 2.203 2.235 . 0 0 "[ . 1 . 2]" 1
119 1 16 LEU H 1 17 PHE H 5.000 . 5.000 4.538 4.434 4.599 . 0 0 "[ . 1 . 2]" 1
120 1 17 PHE H 1 18 LEU MD2 5.000 . 5.000 3.932 3.878 4.125 . 0 0 "[ . 1 . 2]" 1
121 1 17 PHE H 1 18 LEU H 4.500 . 4.500 4.207 4.158 4.271 . 0 0 "[ . 1 . 2]" 1
122 1 18 LEU H 1 18 LEU HA . . 3.059 2.894 2.888 2.902 . 0 0 "[ . 1 . 2]" 1
123 1 18 LEU HA 1 18 LEU HG 4.000 . 4.000 3.441 3.388 3.657 . 0 0 "[ . 1 . 2]" 1
124 1 18 LEU HA 1 19 SER H 4.000 . 4.000 3.128 3.112 3.140 . 0 0 "[ . 1 . 2]" 1
125 1 18 LEU HA 1 130 PRO HA 3.800 . 3.800 3.628 3.412 3.812 0.012 1 0 "[ . 1 . 2]" 1
126 1 18 LEU HA 1 130 PRO QB 5.000 . 5.000 2.374 2.253 2.630 . 0 0 "[ . 1 . 2]" 1
127 1 17 PHE QB 1 18 LEU H 5.000 . 5.000 3.483 3.388 3.608 . 0 0 "[ . 1 . 2]" 1
128 1 18 LEU H 1 19 SER H . . 2.534 2.695 2.679 2.712 0.178 5 0 "[ . 1 . 2]" 1
129 1 18 LEU H 1 18 LEU MD1 5.000 . 5.000 3.695 3.539 4.158 . 0 0 "[ . 1 . 2]" 1
130 1 18 LEU H 1 18 LEU MD2 5.000 . 5.000 2.438 2.009 2.519 . 0 0 "[ . 1 . 2]" 1
131 1 18 LEU H 1 18 LEU HG 4.500 . 4.500 2.214 1.801 3.971 . 0 0 "[ . 1 . 2]" 1
132 1 19 SER HA 1 20 PRO QD . . 2.500 1.899 1.880 1.908 . 0 0 "[ . 1 . 2]" 1
133 1 19 SER QB 1 20 PRO QD 5.000 . 5.000 2.949 2.914 2.975 . 0 0 "[ . 1 . 2]" 1
134 1 19 SER QB 1 20 PRO QG 5.500 . 5.500 4.579 4.548 4.620 . 0 0 "[ . 1 . 2]" 1
135 1 19 SER H 1 130 PRO HA 5.000 . 5.000 4.012 3.915 4.095 . 0 0 "[ . 1 . 2]" 1
136 1 17 PHE QB 1 19 SER H 5.500 . 5.500 2.285 2.242 2.334 . 0 0 "[ . 1 . 2]" 1
137 1 17 PHE H 1 19 SER H 4.221 . 4.221 4.426 4.411 4.455 0.234 2 0 "[ . 1 . 2]" 1
138 1 19 SER HA 1 20 PRO HA 4.500 . 4.500 4.502 4.496 4.508 0.008 8 0 "[ . 1 . 2]" 1
139 1 20 PRO HA 1 21 LYS HA 4.500 . 4.500 4.563 4.559 4.569 0.069 9 0 "[ . 1 . 2]" 1
140 1 20 PRO HA 1 21 LYS QB 5.000 . 5.000 4.185 4.123 4.226 . 0 0 "[ . 1 . 2]" 1
141 1 20 PRO HA 1 130 PRO HA 3.500 . 3.500 2.866 2.832 2.898 . 0 0 "[ . 1 . 2]" 1
142 1 21 LYS HA 1 21 LYS QD 5.000 . 5.000 3.654 2.044 3.791 . 0 0 "[ . 1 . 2]" 1
143 1 21 LYS HA 1 128 ARG HA 4.000 . 4.000 3.977 3.897 4.057 0.057 6 0 "[ . 1 . 2]" 1
144 1 21 LYS HA 1 128 ARG QB 5.500 . 5.500 2.399 2.320 2.441 . 0 0 "[ . 1 . 2]" 1
145 1 21 LYS HA 1 128 ARG QG 5.000 . 5.000 4.102 3.456 4.468 . 0 0 "[ . 1 . 2]" 1
146 1 21 LYS HA 1 128 ARG QD 5.500 . 5.500 3.097 2.334 4.882 . 0 0 "[ . 1 . 2]" 1
147 1 21 LYS HA 1 129 LEU H 5.000 . 5.000 4.260 4.217 4.281 . 0 0 "[ . 1 . 2]" 1
148 1 21 LYS H 1 129 LEU HA 3.800 . 3.800 3.768 3.685 3.830 0.030 8 0 "[ . 1 . 2]" 1
149 1 21 LYS H 1 129 LEU QB 5.000 . 5.000 4.101 4.074 4.133 . 0 0 "[ . 1 . 2]" 1
150 1 21 LYS H 1 129 LEU H 3.800 . 3.800 1.783 1.759 1.800 0.041 17 0 "[ . 1 . 2]" 1
151 1 21 LYS H 1 128 ARG HA 3.800 . 3.800 3.106 3.068 3.134 . 0 0 "[ . 1 . 2]" 1
152 1 21 LYS H 1 128 ARG QB 3.800 . 3.800 2.220 2.149 2.328 . 0 0 "[ . 1 . 2]" 1
153 1 21 LYS H 1 128 ARG HD2 5.000 . 5.000 4.599 4.206 5.020 0.020 6 0 "[ . 1 . 2]" 1
154 1 21 LYS H 1 65 TRP HD1 5.000 . 5.000 3.230 3.140 3.293 . 0 0 "[ . 1 . 2]" 1
155 1 21 LYS H 1 65 TRP HE1 5.000 . 5.000 4.738 4.422 4.871 . 0 0 "[ . 1 . 2]" 1
156 1 21 LYS H 1 22 SER H 4.264 . 4.264 4.116 4.099 4.152 . 0 0 "[ . 1 . 2]" 1
157 1 22 SER H 1 129 LEU H 5.000 . 5.000 4.680 4.607 4.771 . 0 0 "[ . 1 . 2]" 1
158 1 22 SER H 1 128 ARG HA 5.000 . 5.000 3.322 3.232 3.483 . 0 0 "[ . 1 . 2]" 1
159 1 22 SER H 1 128 ARG QB 5.000 . 5.000 2.415 2.118 2.969 . 0 0 "[ . 1 . 2]" 1
160 1 22 SER H 1 65 TRP HE1 5.000 . 5.000 5.006 4.901 5.036 0.036 19 0 "[ . 1 . 2]" 1
161 1 22 SER HA 1 126 ASN HA 3.800 . 3.800 3.725 3.586 3.803 0.003 17 0 "[ . 1 . 2]" 1
162 1 22 SER HA 1 128 ARG HA 2.800 . 2.800 2.076 2.026 2.132 . 0 0 "[ . 1 . 2]" 1
163 1 22 SER HA 1 128 ARG HG2 5.000 . 5.000 3.774 2.512 5.055 0.055 6 0 "[ . 1 . 2]" 1
164 1 22 SER HA 1 65 TRP HE1 2.800 . 2.800 2.589 2.521 2.720 . 0 0 "[ . 1 . 2]" 1
165 1 22 SER H 1 25 ASP QB 5.000 . 5.000 2.233 2.171 2.373 . 0 0 "[ . 1 . 2]" 1
166 1 22 SER H 1 25 ASP H 3.960 . 3.960 3.882 3.817 3.978 0.018 19 0 "[ . 1 . 2]" 1
167 1 21 LYS HA 1 22 SER H 3.047 . 3.047 2.215 2.196 2.225 . 0 0 "[ . 1 . 2]" 1
168 1 21 LYS QB 1 22 SER H 5.000 . 5.000 3.289 3.220 3.324 . 0 0 "[ . 1 . 2]" 1
169 1 22 SER H 1 23 TRP H . . 4.294 4.702 4.665 4.720 0.426 8 0 "[ . 1 . 2]" 1
170 1 23 TRP HD1 1 65 TRP HA 4.500 . 4.500 4.031 3.647 4.283 . 0 0 "[ . 1 . 2]" 1
171 1 23 TRP HD1 1 108 CYS QB 5.000 . 5.000 3.009 2.598 3.779 . 0 0 "[ . 1 . 2]" 1
172 1 23 TRP H 1 126 ASN HA 3.800 . 3.800 3.787 3.589 3.812 0.012 12 0 "[ . 1 . 2]" 1
173 1 23 TRP H 1 125 CYS QB 5.000 . 5.000 4.325 4.211 4.352 . 0 0 "[ . 1 . 2]" 1
174 1 23 TRP H 1 65 TRP HD1 5.000 . 5.000 3.961 3.871 4.116 . 0 0 "[ . 1 . 2]" 1
175 1 23 TRP H 1 65 TRP HE1 5.000 . 5.000 2.565 2.434 2.655 . 0 0 "[ . 1 . 2]" 1
176 1 23 TRP H 1 25 ASP H . . 4.500 3.937 3.895 4.014 . 0 0 "[ . 1 . 2]" 1
177 1 22 SER HA 1 23 TRP H 3.026 . 3.026 2.317 2.258 2.362 . 0 0 "[ . 1 . 2]" 1
178 1 22 SER QB 1 23 TRP H 5.000 . 5.000 3.018 2.771 3.549 . 0 0 "[ . 1 . 2]" 1
179 1 23 TRP H 1 24 THR MG 5.139 . 5.139 4.068 3.985 4.123 . 0 0 "[ . 1 . 2]" 1
180 1 23 TRP H 1 24 THR H 3.024 . 3.024 2.624 2.559 2.755 . 0 0 "[ . 1 . 2]" 1
181 1 23 TRP H 1 23 TRP HD1 5.500 . 5.500 5.024 4.676 5.126 . 0 0 "[ . 1 . 2]" 1
182 1 23 TRP H 1 23 TRP HE1 5.500 . 5.500 4.572 4.415 4.964 . 0 0 "[ . 1 . 2]" 1
183 1 24 THR H 1 126 ASN HA 3.800 . 3.800 3.994 3.976 4.018 0.218 8 0 "[ . 1 . 2]" 1
184 1 24 THR H 1 125 CYS QB 5.000 . 5.000 3.928 3.741 4.117 . 0 0 "[ . 1 . 2]" 1
185 1 24 THR H 1 65 TRP HE1 5.000 . 5.000 5.111 5.097 5.135 0.135 3 0 "[ . 1 . 2]" 1
186 1 24 THR H 1 27 ASP H . . 4.306 4.448 4.434 4.469 0.163 6 0 "[ . 1 . 2]" 1
187 1 22 SER HA 1 24 THR H 5.000 . 5.000 3.795 3.750 3.857 . 0 0 "[ . 1 . 2]" 1
188 1 22 SER QB 1 24 THR H 5.500 . 5.500 2.569 2.281 3.110 . 0 0 "[ . 1 . 2]" 1
189 1 22 SER H 1 24 THR H 5.046 . 5.046 4.971 4.838 5.053 0.007 9 0 "[ . 1 . 2]" 1
190 1 24 THR H 1 26 ALA H 3.925 . 3.925 3.989 3.958 4.019 0.094 5 0 "[ . 1 . 2]" 1
191 1 23 TRP QB 1 24 THR H 5.000 . 5.000 2.932 2.820 2.988 . 0 0 "[ . 1 . 2]" 1
192 1 24 THR H 1 25 ASP H 3.000 . 3.000 2.192 2.161 2.224 . 0 0 "[ . 1 . 2]" 1
193 1 24 THR H 1 24 THR HA 2.915 . 2.915 2.958 2.953 2.963 0.048 5 0 "[ . 1 . 2]" 1
194 1 24 THR H 1 24 THR HB 2.539 . 2.539 2.600 2.580 2.641 0.102 6 0 "[ . 1 . 2]" 1
195 1 22 SER QB 1 25 ASP H 5.500 . 5.500 2.319 2.106 2.996 . 0 0 "[ . 1 . 2]" 1
196 1 25 ASP H 1 28 LEU H 4.882 . 4.882 4.488 4.414 4.535 . 0 0 "[ . 1 . 2]" 1
197 1 25 ASP H 1 27 ASP QB 4.500 . 4.500 4.157 4.134 4.181 . 0 0 "[ . 1 . 2]" 1
198 1 25 ASP H 1 27 ASP H . . 3.528 3.452 3.437 3.470 . 0 0 "[ . 1 . 2]" 1
199 1 24 THR HA 1 25 ASP H 3.691 . 3.691 3.407 3.399 3.420 . 0 0 "[ . 1 . 2]" 1
200 1 24 THR HB 1 25 ASP H 4.000 . 4.000 3.989 3.960 4.034 0.034 6 0 "[ . 1 . 2]" 1
201 1 25 ASP H 1 26 ALA H 2.762 . 2.762 2.371 2.341 2.406 . 0 0 "[ . 1 . 2]" 1
202 1 25 ASP H 1 25 ASP HA 2.939 . 2.939 2.946 2.944 2.948 0.009 11 0 "[ . 1 . 2]" 1
203 1 26 ALA H 1 38 LEU MD1 5.000 . 5.000 3.884 3.861 3.910 . 0 0 "[ . 1 . 2]" 1
204 1 26 ALA H 1 38 LEU MD2 5.000 . 5.000 4.148 4.040 4.198 . 0 0 "[ . 1 . 2]" 1
205 1 21 LYS QB 1 26 ALA HA 3.800 . 3.800 2.992 2.650 3.123 . 0 0 "[ . 1 . 2]" 1
206 1 21 LYS QB 1 26 ALA H 5.000 . 5.000 2.697 2.441 2.817 . 0 0 "[ . 1 . 2]" 1
207 1 22 SER H 1 26 ALA H 4.351 . 4.351 4.267 4.204 4.358 0.007 2 0 "[ . 1 . 2]" 1
208 1 26 ALA H 1 28 LEU H 4.116 . 4.116 4.085 4.028 4.120 0.004 15 0 "[ . 1 . 2]" 1
209 1 25 ASP HA 1 26 ALA H 4.000 . 4.000 3.570 3.559 3.583 . 0 0 "[ . 1 . 2]" 1
210 1 25 ASP QB 1 26 ALA H 5.000 . 5.000 2.590 2.534 2.640 . 0 0 "[ . 1 . 2]" 1
211 1 26 ALA H 1 27 ASP QB 5.000 . 5.000 4.063 4.042 4.081 . 0 0 "[ . 1 . 2]" 1
212 1 26 ALA H 1 27 ASP H . . 2.895 2.329 2.302 2.347 . 0 0 "[ . 1 . 2]" 1
213 1 26 ALA H 1 26 ALA HA 2.994 . 2.994 2.908 2.897 2.915 . 0 0 "[ . 1 . 2]" 1
214 1 24 THR HA 1 27 ASP H 3.961 . 3.961 3.543 3.490 3.598 . 0 0 "[ . 1 . 2]" 1
215 1 27 ASP H 1 38 LEU MD1 5.000 . 5.000 2.621 2.507 2.696 . 0 0 "[ . 1 . 2]" 1
216 1 27 ASP HA 1 37 ASN HA 3.800 . 3.800 3.863 3.841 3.913 0.113 8 0 "[ . 1 . 2]" 1
217 1 27 ASP HA 1 38 LEU HG 2.800 . 2.800 2.222 2.050 2.294 . 0 0 "[ . 1 . 2]" 1
218 1 27 ASP HA 1 38 LEU MD1 5.000 . 5.000 2.661 2.392 2.782 . 0 0 "[ . 1 . 2]" 1
219 1 25 ASP QB 1 27 ASP H 5.000 . 5.000 4.432 4.414 4.446 . 0 0 "[ . 1 . 2]" 1
220 1 26 ALA HA 1 27 ASP H 3.800 . 3.800 3.491 3.483 3.498 . 0 0 "[ . 1 . 2]" 1
221 1 26 ALA MB 1 27 ASP H 5.000 . 5.000 2.682 2.657 2.742 . 0 0 "[ . 1 . 2]" 1
222 1 27 ASP H 1 28 LEU QB 5.500 . 5.500 4.480 4.434 4.562 . 0 0 "[ . 1 . 2]" 1
223 1 27 ASP H 1 28 LEU H 3.000 . 3.000 2.679 2.642 2.708 . 0 0 "[ . 1 . 2]" 1
224 1 27 ASP H 1 27 ASP HA 2.740 . 2.740 2.854 2.847 2.866 0.126 18 0 "[ . 1 . 2]" 1
225 1 28 LEU H 1 28 LEU HA . . 3.000 2.900 2.896 2.903 . 0 0 "[ . 1 . 2]" 1
226 1 28 LEU HA 1 31 GLN QB 5.000 . 5.000 2.312 2.279 2.456 . 0 0 "[ . 1 . 2]" 1
227 1 25 ASP HA 1 28 LEU H 3.500 . 3.500 3.438 3.282 3.511 0.011 5 0 "[ . 1 . 2]" 1
228 1 26 ALA HA 1 28 LEU H 5.000 . 5.000 4.335 4.229 4.439 . 0 0 "[ . 1 . 2]" 1
229 1 26 ALA MB 1 28 LEU H 5.500 . 5.500 4.620 4.570 4.655 . 0 0 "[ . 1 . 2]" 1
230 1 28 LEU H 1 29 ALA H 3.000 . 3.000 2.608 2.538 2.684 . 0 0 "[ . 1 . 2]" 1
231 1 29 ALA HA 1 31 GLN H . . 4.500 3.819 3.649 4.020 . 0 0 "[ . 1 . 2]" 1
232 1 29 ALA HA 1 30 CYS H 4.000 . 4.000 3.603 3.589 3.608 . 0 0 "[ . 1 . 2]" 1
233 1 29 ALA HA 1 32 LYS QD 5.000 . 5.000 3.654 2.354 4.409 . 0 0 "[ . 1 . 2]" 1
234 1 29 ALA HA 1 32 LYS QE 5.000 . 5.000 3.502 2.580 4.347 . 0 0 "[ . 1 . 2]" 1
235 1 29 ALA HA 1 32 LYS QG 5.000 . 5.000 4.258 3.662 4.515 . 0 0 "[ . 1 . 2]" 1
236 1 26 ALA HA 1 29 ALA MB 5.000 . 5.000 2.469 2.331 2.683 . 0 0 "[ . 1 . 2]" 1
237 1 29 ALA MB 1 30 CYS H 5.000 . 5.000 2.261 2.143 2.336 . 0 0 "[ . 1 . 2]" 1
238 1 29 ALA MB 1 32 LYS H 5.000 . 5.000 4.302 4.273 4.352 . 0 0 "[ . 1 . 2]" 1
239 1 25 ASP HA 1 29 ALA H 4.000 . 4.000 3.989 3.869 4.022 0.022 17 0 "[ . 1 . 2]" 1
240 1 26 ALA HA 1 29 ALA H 4.000 . 4.000 3.345 3.188 3.552 . 0 0 "[ . 1 . 2]" 1
241 1 29 ALA H 1 30 CYS H 3.000 . 3.000 2.819 2.689 2.939 . 0 0 "[ . 1 . 2]" 1
242 1 30 CYS HA 1 31 GLN H 5.000 . 5.000 3.438 3.391 3.506 . 0 0 "[ . 1 . 2]" 1
243 1 30 CYS HA 1 33 ARG H . . 4.000 3.750 3.369 4.017 0.017 8 0 "[ . 1 . 2]" 1
244 1 30 CYS H 1 30 CYS HA . . 2.868 2.853 2.834 2.862 . 0 0 "[ . 1 . 2]" 1
245 1 30 CYS H 1 131 TYR QE 5.000 . 5.000 4.368 4.039 4.945 . 0 0 "[ . 1 . 2]" 1
246 1 30 CYS H 1 38 LEU H . . 4.456 4.557 4.469 4.590 0.134 19 0 "[ . 1 . 2]" 1
247 1 30 CYS H 1 32 LYS H 4.500 . 4.500 4.123 3.966 4.278 . 0 0 "[ . 1 . 2]" 1
248 1 30 CYS H 1 31 GLN H . . 3.000 2.602 2.573 2.660 . 0 0 "[ . 1 . 2]" 1
249 1 30 CYS QB 1 31 GLN HA 5.000 . 5.000 4.207 3.956 4.308 . 0 0 "[ . 1 . 2]" 1
250 1 31 GLN HA 1 37 ASN HA 5.000 . 5.000 3.090 2.980 3.286 . 0 0 "[ . 1 . 2]" 1
251 1 28 LEU HA 1 31 GLN H 4.000 . 4.000 3.564 3.311 3.692 . 0 0 "[ . 1 . 2]" 1
252 1 30 CYS QB 1 31 GLN H 5.000 . 5.000 3.019 2.755 3.146 . 0 0 "[ . 1 . 2]" 1
253 1 31 GLN H 1 32 LYS H . . 2.895 2.339 2.289 2.428 . 0 0 "[ . 1 . 2]" 1
254 1 31 GLN H 1 37 ASN HA 4.007 . 4.007 3.485 3.404 3.626 . 0 0 "[ . 1 . 2]" 1
255 1 32 LYS HA 1 32 LYS QD 5.000 . 5.000 3.914 2.306 4.474 . 0 0 "[ . 1 . 2]" 1
256 1 29 ALA HA 1 32 LYS H 4.000 . 4.000 3.169 3.089 3.294 . 0 0 "[ . 1 . 2]" 1
257 1 31 GLN HA 1 32 LYS H 3.450 . 3.450 3.496 3.471 3.511 0.061 11 0 "[ . 1 . 2]" 1
258 1 32 LYS H 1 33 ARG H . . 2.693 2.627 2.463 2.710 0.017 8 0 "[ . 1 . 2]" 1
259 1 32 LYS H 1 32 LYS HA 2.702 . 2.702 2.853 2.793 2.893 0.191 2 0 "[ . 1 . 2]" 1
260 1 32 LYS QG 1 33 ARG HA 5.000 . 5.000 3.640 3.192 4.497 . 0 0 "[ . 1 . 2]" 1
261 1 32 LYS QB 1 33 ARG HA 5.500 . 5.500 4.532 4.060 4.807 . 0 0 "[ . 1 . 2]" 1
262 1 33 ARG H 1 135 PHE QB 5.500 . 5.500 4.840 4.665 4.949 . 0 0 "[ . 1 . 2]" 1
263 1 33 ARG H 1 36 GLY QA 5.000 . 5.000 3.787 3.649 3.961 . 0 0 "[ . 1 . 2]" 1
264 1 33 ARG H 1 36 GLY H 3.732 . 3.732 3.678 3.604 3.746 0.014 7 0 "[ . 1 . 2]" 1
265 1 31 GLN HA 1 33 ARG H 3.600 . 3.600 3.330 3.217 3.607 0.007 2 0 "[ . 1 . 2]" 1
266 1 31 GLN H 1 33 ARG H 4.500 . 4.500 3.848 3.785 3.950 . 0 0 "[ . 1 . 2]" 1
267 1 32 LYS HA 1 33 ARG H 3.500 . 3.500 3.325 3.260 3.400 . 0 0 "[ . 1 . 2]" 1
268 1 32 LYS QB 1 33 ARG H 5.000 . 5.000 3.432 3.061 3.827 . 0 0 "[ . 1 . 2]" 1
269 1 33 ARG HA 1 34 PRO HA 5.000 . 5.000 4.389 4.381 4.397 . 0 0 "[ . 1 . 2]" 1
270 1 34 PRO HA 1 35 SER HA 5.000 . 5.000 4.564 4.551 4.582 . 0 0 "[ . 1 . 2]" 1
271 1 34 PRO QB 1 135 PHE QB 5.000 . 5.000 3.561 3.501 3.613 . 0 0 "[ . 1 . 2]" 1
272 1 34 PRO HA 1 35 SER H 2.456 . 2.456 2.390 2.361 2.423 . 0 0 "[ . 1 . 2]" 1
273 1 35 SER H 1 36 GLY QA 5.500 . 5.500 4.516 4.490 4.546 . 0 0 "[ . 1 . 2]" 1
274 1 35 SER H 1 36 GLY H . . 2.745 2.580 2.544 2.609 . 0 0 "[ . 1 . 2]" 1
275 1 35 SER H 1 35 SER HA 2.364 . 2.364 2.333 2.330 2.336 . 0 0 "[ . 1 . 2]" 1
276 1 36 GLY H 1 136 THR H 5.000 . 5.000 4.943 4.838 5.011 0.011 9 0 "[ . 1 . 2]" 1
277 1 36 GLY H 1 135 PHE HA 3.800 . 3.800 3.883 3.857 3.954 0.154 8 0 "[ . 1 . 2]" 1
278 1 36 GLY H 1 135 PHE QB 5.000 . 5.000 3.496 3.227 3.645 . 0 0 "[ . 1 . 2]" 1
279 1 34 PRO HA 1 36 GLY H 4.000 . 4.000 3.905 3.841 3.982 . 0 0 "[ . 1 . 2]" 1
280 1 33 ARG HA 1 36 GLY H 4.059 . 4.059 4.267 4.237 4.309 0.250 8 0 "[ . 1 . 2]" 1
281 1 35 SER HA 1 36 GLY H 3.000 . 3.000 3.115 3.085 3.164 0.164 8 0 "[ . 1 . 2]" 1
282 1 30 CYS QB 1 37 ASN HA 5.000 . 5.000 2.187 2.005 2.265 . 0 0 "[ . 1 . 2]" 1
283 1 37 ASN H 1 134 LYS QB 5.000 . 5.000 4.443 4.376 4.505 . 0 0 "[ . 1 . 2]" 1
284 1 37 ASN H 1 135 PHE QB 5.000 . 5.000 3.925 3.844 3.999 . 0 0 "[ . 1 . 2]" 1
285 1 36 GLY QA 1 37 ASN H 4.000 . 4.000 2.304 2.299 2.316 . 0 0 "[ . 1 . 2]" 1
286 1 30 CYS QB 1 37 ASN H 5.000 . 5.000 3.316 2.532 3.765 . 0 0 "[ . 1 . 2]" 1
287 1 37 ASN H 1 37 ASN HA 2.865 . 2.865 2.769 2.755 2.810 . 0 0 "[ . 1 . 2]" 1
288 1 37 ASN H 1 134 LYS H 5.000 . 5.000 2.832 2.590 2.932 . 0 0 "[ . 1 . 2]" 1
289 1 27 ASP QB 1 38 LEU H 5.000 . 5.000 4.409 4.377 4.467 . 0 0 "[ . 1 . 2]" 1
290 1 27 ASP HA 1 38 LEU H 3.800 . 3.800 2.653 2.630 2.678 . 0 0 "[ . 1 . 2]" 1
291 1 26 ALA MB 1 38 LEU MD2 5.000 . 5.000 1.797 1.778 1.819 0.022 8 0 "[ . 1 . 2]" 1
292 1 38 LEU MD2 1 131 TYR QB 5.000 . 5.000 2.384 2.186 2.440 . 0 0 "[ . 1 . 2]" 1
293 1 38 LEU MD2 1 65 TRP QB 5.000 . 5.000 2.449 2.329 2.542 . 0 0 "[ . 1 . 2]" 1
294 1 38 LEU MD2 1 66 ILE HA 5.000 . 5.000 2.905 2.750 3.012 . 0 0 "[ . 1 . 2]" 1
295 1 38 LEU MD2 1 131 TYR QD 5.000 . 5.000 2.358 2.189 3.122 . 0 0 "[ . 1 . 2]" 1
296 1 38 LEU MD1 1 67 GLY QA 5.000 . 5.000 2.337 2.266 2.421 . 0 0 "[ . 1 . 2]" 1
297 1 38 LEU MD1 1 65 TRP QB 5.000 . 5.000 3.210 3.114 3.242 . 0 0 "[ . 1 . 2]" 1
298 1 27 ASP QB 1 38 LEU MD1 5.000 . 5.000 2.075 2.023 2.149 . 0 0 "[ . 1 . 2]" 1
299 1 26 ALA MB 1 38 LEU MD1 5.000 . 5.000 2.562 2.413 2.785 . 0 0 "[ . 1 . 2]" 1
300 1 30 CYS QB 1 38 LEU H 5.000 . 5.000 2.242 2.053 2.354 . 0 0 "[ . 1 . 2]" 1
301 1 37 ASN HA 1 38 LEU H 3.000 . 3.000 2.306 2.278 2.347 . 0 0 "[ . 1 . 2]" 1
302 1 37 ASN QB 1 38 LEU H 5.000 . 5.000 3.066 2.970 3.136 . 0 0 "[ . 1 . 2]" 1
303 1 38 LEU H 1 38 LEU MD1 4.263 . 4.263 3.418 3.292 3.482 . 0 0 "[ . 1 . 2]" 1
304 1 38 LEU H 1 38 LEU MD2 4.064 . 4.064 3.468 3.432 3.494 . 0 0 "[ . 1 . 2]" 1
305 1 38 LEU H 1 38 LEU HG 3.541 . 3.541 2.104 2.021 2.143 . 0 0 "[ . 1 . 2]" 1
306 1 38 LEU HA 1 39 VAL HA 5.000 . 5.000 4.390 4.377 4.400 . 0 0 "[ . 1 . 2]" 1
307 1 39 VAL H 1 67 GLY H . . 4.000 3.993 3.816 4.043 0.043 3 0 "[ . 1 . 2]" 1
308 1 39 VAL H 1 132 VAL HB 5.000 . 5.000 3.491 3.273 3.681 . 0 0 "[ . 1 . 2]" 1
309 1 39 VAL H 1 134 LYS H 5.000 . 5.000 3.853 3.730 4.113 . 0 0 "[ . 1 . 2]" 1
310 1 39 VAL H 1 133 CYS HA . . 3.000 2.701 2.281 2.864 . 0 0 "[ . 1 . 2]" 1
311 1 39 VAL H 1 132 VAL MG1 5.000 . 5.000 3.666 3.511 3.794 . 0 0 "[ . 1 . 2]" 1
312 1 38 LEU HA 1 39 VAL H 3.000 . 3.000 2.196 2.185 2.225 . 0 0 "[ . 1 . 2]" 1
313 1 39 VAL H 1 39 VAL HB 3.500 . 3.500 2.617 2.276 2.679 . 0 0 "[ . 1 . 2]" 1
314 1 40 SER H 1 134 LYS QB 5.000 . 5.000 3.392 3.190 3.773 . 0 0 "[ . 1 . 2]" 1
315 1 40 SER H 1 134 LYS H 5.000 . 5.000 5.077 5.034 5.104 0.104 17 0 "[ . 1 . 2]" 1
316 1 39 VAL MG2 1 40 SER H 5.000 . 5.000 1.943 1.759 2.165 0.041 7 0 "[ . 1 . 2]" 1
317 1 39 VAL H 1 40 SER H 5.000 . 5.000 4.662 4.648 4.680 . 0 0 "[ . 1 . 2]" 1
318 1 40 SER H 1 41 VAL H 5.000 . 5.000 4.541 4.492 4.579 . 0 0 "[ . 1 . 2]" 1
319 1 39 VAL MG1 1 41 VAL MG2 5.500 . 5.500 3.450 2.535 3.565 . 0 0 "[ . 1 . 2]" 1
320 1 41 VAL MG2 1 66 ILE MD 5.000 . 5.000 2.564 2.455 2.663 . 0 0 "[ . 1 . 2]" 1
321 1 41 VAL MG2 1 66 ILE MG 5.500 . 5.500 3.368 3.038 3.598 . 0 0 "[ . 1 . 2]" 1
322 1 41 VAL HB 1 92 TYR HD2 4.000 . 4.000 3.096 2.667 3.689 . 0 0 "[ . 1 . 2]" 1
323 1 42 LEU HA 1 92 TYR HD2 4.000 . 4.000 3.820 3.526 3.988 . 0 0 "[ . 1 . 2]" 1
324 1 41 VAL H 1 42 LEU MD2 5.000 . 5.000 4.088 3.990 4.175 . 0 0 "[ . 1 . 2]" 1
325 1 42 LEU H 1 42 LEU MD2 5.000 . 5.000 4.006 3.942 4.092 . 0 0 "[ . 1 . 2]" 1
326 1 42 LEU MD2 1 84 TRP HD1 5.000 . 5.000 3.133 2.529 3.525 . 0 0 "[ . 1 . 2]" 1
327 1 42 LEU MD2 1 88 ASP QB 5.000 . 5.000 3.348 3.129 3.504 . 0 0 "[ . 1 . 2]" 1
328 1 42 LEU MD2 1 88 ASP H 5.500 . 5.500 4.354 3.863 5.162 . 0 0 "[ . 1 . 2]" 1
329 1 42 LEU MD2 1 92 TYR HA 5.500 . 5.500 4.574 4.512 4.623 . 0 0 "[ . 1 . 2]" 1
330 1 42 LEU H 1 92 TYR QB 5.500 . 5.500 4.266 4.184 4.364 . 0 0 "[ . 1 . 2]" 1
331 1 42 LEU H 1 46 GLU QB 5.000 . 5.000 3.122 3.025 3.190 . 0 0 "[ . 1 . 2]" 1
332 1 41 VAL MG1 1 42 LEU H 5.500 . 5.500 3.794 3.583 3.936 . 0 0 "[ . 1 . 2]" 1
333 1 41 VAL H 1 42 LEU H 4.500 . 4.500 3.454 3.340 3.620 . 0 0 "[ . 1 . 2]" 1
334 1 42 LEU H 1 43 SER H . . 2.819 2.361 2.325 2.410 . 0 0 "[ . 1 . 2]" 1
335 1 42 LEU H 1 42 LEU MD1 5.500 . 5.500 3.910 3.729 4.098 . 0 0 "[ . 1 . 2]" 1
336 1 42 LEU H 1 42 LEU HG 3.000 . 3.000 3.022 2.964 3.094 0.094 12 0 "[ . 1 . 2]" 1
337 1 43 SER H 1 92 TYR HD2 4.000 . 4.000 3.913 3.374 4.018 0.018 7 0 "[ . 1 . 2]" 1
338 1 43 SER H 1 92 TYR QB 5.000 . 5.000 3.414 3.293 3.481 . 0 0 "[ . 1 . 2]" 1
339 1 43 SER H 1 47 GLY H 3.800 . 3.800 3.765 3.577 3.819 0.019 7 0 "[ . 1 . 2]" 1
340 1 43 SER H 1 46 GLU QB 5.000 . 5.000 2.452 2.222 2.658 . 0 0 "[ . 1 . 2]" 1
341 1 43 SER H 1 46 GLU H . . 3.741 3.721 3.584 3.756 0.015 18 0 "[ . 1 . 2]" 1
342 1 42 LEU HA 1 43 SER H 3.547 . 3.547 3.194 3.178 3.215 . 0 0 "[ . 1 . 2]" 1
343 1 42 LEU QB 1 43 SER H 5.000 . 5.000 3.589 3.581 3.601 . 0 0 "[ . 1 . 2]" 1
344 1 43 SER H 1 44 GLY H 5.000 . 5.000 4.412 4.379 4.435 . 0 0 "[ . 1 . 2]" 1
345 1 43 SER H 1 44 GLY QA 5.500 . 5.500 4.673 4.622 4.724 . 0 0 "[ . 1 . 2]" 1
346 1 44 GLY H 1 92 TYR HD1 4.000 . 4.000 3.985 3.795 4.013 0.013 12 0 "[ . 1 . 2]" 1
347 1 44 GLY H 1 92 TYR QB 5.500 . 5.500 4.633 4.162 4.761 . 0 0 "[ . 1 . 2]" 1
348 1 44 GLY H 1 46 GLU H . . 4.500 4.186 4.056 4.333 . 0 0 "[ . 1 . 2]" 1
349 1 43 SER HA 1 44 GLY H 2.650 . 2.650 2.279 2.274 2.287 . 0 0 "[ . 1 . 2]" 1
350 1 43 SER QB 1 44 GLY H 5.000 . 5.000 3.147 2.789 3.551 . 0 0 "[ . 1 . 2]" 1
351 1 44 GLY H 1 45 ALA MB 5.500 . 5.500 4.287 4.259 4.306 . 0 0 "[ . 1 . 2]" 1
352 1 44 GLY H 1 45 ALA H . . 2.766 2.586 2.563 2.613 . 0 0 "[ . 1 . 2]" 1
353 1 45 ALA H 1 45 ALA HA . . 3.000 2.940 2.926 2.945 . 0 0 "[ . 1 . 2]" 1
354 1 45 ALA HA 1 46 GLU H 4.000 . 4.000 3.528 3.515 3.547 . 0 0 "[ . 1 . 2]" 1
355 1 43 SER HA 1 45 ALA H 4.500 . 4.500 3.815 3.735 3.899 . 0 0 "[ . 1 . 2]" 1
356 1 43 SER QB 1 45 ALA H 5.000 . 5.000 2.721 2.271 3.143 . 0 0 "[ . 1 . 2]" 1
357 1 44 GLY QA 1 45 ALA H 5.000 . 5.000 2.873 2.837 2.896 . 0 0 "[ . 1 . 2]" 1
358 1 45 ALA H 1 46 GLU H 2.946 . 2.946 2.343 2.323 2.372 . 0 0 "[ . 1 . 2]" 1
359 1 45 ALA MB 1 46 GLU HA 5.500 . 5.500 3.869 3.831 3.892 . 0 0 "[ . 1 . 2]" 1
360 1 46 GLU HA 1 49 PHE QB 5.000 . 5.000 2.321 2.252 2.422 . 0 0 "[ . 1 . 2]" 1
361 1 43 SER HA 1 46 GLU H 5.000 . 5.000 4.375 4.289 4.460 . 0 0 "[ . 1 . 2]" 1
362 1 43 SER QB 1 46 GLU H 5.000 . 5.000 2.381 2.029 3.300 . 0 0 "[ . 1 . 2]" 1
363 1 46 GLU H 1 49 PHE QB 5.000 . 5.000 4.495 4.443 4.533 . 0 0 "[ . 1 . 2]" 1
364 1 45 ALA MB 1 46 GLU H 5.000 . 5.000 2.645 2.512 2.754 . 0 0 "[ . 1 . 2]" 1
365 1 46 GLU H 1 47 GLY QA 5.000 . 5.000 4.497 4.454 4.514 . 0 0 "[ . 1 . 2]" 1
366 1 46 GLU H 1 47 GLY H 2.899 . 2.899 2.577 2.532 2.612 . 0 0 "[ . 1 . 2]" 1
367 1 41 VAL MG1 1 47 GLY QA 5.500 . 5.500 1.970 1.940 2.072 . 0 0 "[ . 1 . 2]" 1
368 1 41 VAL MG2 1 47 GLY QA 5.500 . 5.500 3.938 3.730 4.042 . 0 0 "[ . 1 . 2]" 1
369 1 47 GLY QA 1 48 SER H 5.000 . 5.000 2.794 2.774 2.816 . 0 0 "[ . 1 . 2]" 1
370 1 44 GLY QA 1 47 GLY H 5.000 . 5.000 3.491 3.366 3.558 . 0 0 "[ . 1 . 2]" 1
371 1 41 VAL MG1 1 47 GLY H 5.500 . 5.500 2.770 2.684 2.911 . 0 0 "[ . 1 . 2]" 1
372 1 45 ALA MB 1 47 GLY H 5.500 . 5.500 4.599 4.547 4.626 . 0 0 "[ . 1 . 2]" 1
373 1 47 GLY H 1 49 PHE QB 5.500 . 5.500 4.829 4.771 4.887 . 0 0 "[ . 1 . 2]" 1
374 1 47 GLY H 1 49 PHE H 4.316 . 4.316 3.991 3.909 4.214 . 0 0 "[ . 1 . 2]" 1
375 1 46 GLU HA 1 47 GLY H 3.941 . 3.941 3.558 3.551 3.567 . 0 0 "[ . 1 . 2]" 1
376 1 46 GLU QB 1 47 GLY H 5.000 . 5.000 2.548 2.427 2.627 . 0 0 "[ . 1 . 2]" 1
377 1 47 GLY H 1 48 SER QB 5.500 . 5.500 4.552 4.404 4.734 . 0 0 "[ . 1 . 2]" 1
378 1 47 GLY H 1 48 SER H 3.000 . 3.000 2.666 2.572 2.742 . 0 0 "[ . 1 . 2]" 1
379 1 44 GLY QA 1 48 SER H 5.500 . 5.500 4.276 4.102 4.427 . 0 0 "[ . 1 . 2]" 1
380 1 45 ALA HA 1 48 SER H 3.500 . 3.500 3.498 3.438 3.521 0.021 12 0 "[ . 1 . 2]" 1
381 1 48 SER H 1 49 PHE H . . 2.800 2.332 2.298 2.421 . 0 0 "[ . 1 . 2]" 1
382 1 49 PHE H 1 50 VAL H . . 2.974 2.685 2.601 2.859 . 0 0 "[ . 1 . 2]" 1
383 1 46 GLU HA 1 49 PHE H 3.500 . 3.500 3.075 2.942 3.183 . 0 0 "[ . 1 . 2]" 1
384 1 46 GLU H 1 49 PHE H 5.000 . 5.000 4.475 4.439 4.548 . 0 0 "[ . 1 . 2]" 1
385 1 48 SER HA 1 49 PHE H 4.000 . 4.000 3.518 3.501 3.563 . 0 0 "[ . 1 . 2]" 1
386 1 49 PHE H 1 49 PHE HA 3.000 . 3.000 2.881 2.826 2.891 . 0 0 "[ . 1 . 2]" 1
387 1 50 VAL HB 1 111 LEU MD1 5.000 . 5.000 3.973 3.939 4.001 . 0 0 "[ . 1 . 2]" 1
388 1 50 VAL HB 1 111 LEU MD2 5.000 . 5.000 3.705 3.603 3.994 . 0 0 "[ . 1 . 2]" 1
389 1 50 VAL HB 1 51 SER HA 5.000 . 5.000 4.227 4.164 4.329 . 0 0 "[ . 1 . 2]" 1
390 1 49 PHE HA 1 50 VAL H 3.800 . 3.800 3.580 3.557 3.588 . 0 0 "[ . 1 . 2]" 1
391 1 49 PHE QB 1 50 VAL H 5.000 . 5.000 2.368 2.327 2.518 . 0 0 "[ . 1 . 2]" 1
392 1 50 VAL H 1 51 SER QB 5.000 . 5.000 4.380 4.297 4.432 . 0 0 "[ . 1 . 2]" 1
393 1 50 VAL H 1 51 SER H . . 2.863 2.675 2.618 2.727 . 0 0 "[ . 1 . 2]" 1
394 1 50 VAL H 1 50 VAL HB 3.500 . 3.500 2.601 2.505 2.650 . 0 0 "[ . 1 . 2]" 1
395 1 51 SER H 1 51 SER HA 3.000 . 3.000 2.839 2.826 2.871 . 0 0 "[ . 1 . 2]" 1
396 1 51 SER HA 1 52 SER HA 5.000 . 5.000 4.766 4.752 4.795 . 0 0 "[ . 1 . 2]" 1
397 1 51 SER HA 1 117 PHE QB 5.000 . 5.000 2.389 2.241 3.362 . 0 0 "[ . 1 . 2]" 1
398 1 51 SER HA 1 111 LEU MD1 5.000 . 5.000 3.934 3.857 3.985 . 0 0 "[ . 1 . 2]" 1
399 1 51 SER H 1 118 LEU MD2 5.000 . 5.000 4.028 3.984 4.088 . 0 0 "[ . 1 . 2]" 1
400 1 48 SER HA 1 51 SER H 4.000 . 4.000 3.459 3.346 3.570 . 0 0 "[ . 1 . 2]" 1
401 1 49 PHE QB 1 51 SER H 5.500 . 5.500 4.555 4.421 4.704 . 0 0 "[ . 1 . 2]" 1
402 1 51 SER H 1 53 LEU H . . 3.961 3.907 3.775 3.967 0.006 19 0 "[ . 1 . 2]" 1
403 1 52 SER HA 1 55 LYS QE 5.000 . 5.000 2.864 2.263 3.721 . 0 0 "[ . 1 . 2]" 1
404 1 52 SER HA 1 54 VAL H . . 4.500 3.989 3.934 4.037 . 0 0 "[ . 1 . 2]" 1
405 1 49 PHE HA 1 52 SER H 3.500 . 3.500 3.480 3.351 3.532 0.032 4 0 "[ . 1 . 2]" 1
406 1 50 VAL H 1 52 SER H 4.500 . 4.500 4.279 4.079 4.500 . 0 0 "[ . 1 . 2]" 1
407 1 50 VAL HA 1 52 SER H 5.000 . 5.000 4.386 4.144 4.730 . 0 0 "[ . 1 . 2]" 1
408 1 51 SER H 1 52 SER H 3.000 . 3.000 2.770 2.727 2.839 . 0 0 "[ . 1 . 2]" 1
409 1 51 SER HA 1 52 SER H 4.000 . 4.000 3.564 3.540 3.585 . 0 0 "[ . 1 . 2]" 1
410 1 51 SER QB 1 52 SER H 4.500 . 4.500 2.631 2.421 2.727 . 0 0 "[ . 1 . 2]" 1
411 1 52 SER H 1 53 LEU H . . 2.841 2.550 2.493 2.652 . 0 0 "[ . 1 . 2]" 1
412 1 52 SER H 1 55 LYS QE 5.500 . 5.500 4.540 4.123 4.935 . 0 0 "[ . 1 . 2]" 1
413 1 52 SER H 1 52 SER QB 3.500 . 3.500 2.378 2.190 2.705 . 0 0 "[ . 1 . 2]" 1
414 1 53 LEU HA 1 54 VAL HA 5.000 . 5.000 4.565 4.556 4.574 . 0 0 "[ . 1 . 2]" 1
415 1 53 LEU HG 1 54 VAL MG2 5.000 . 5.000 4.179 4.157 4.195 . 0 0 "[ . 1 . 2]" 1
416 1 53 LEU HG 1 54 VAL HA 5.000 . 5.000 3.608 3.590 3.632 . 0 0 "[ . 1 . 2]" 1
417 1 52 SER HA 1 53 LEU H 3.800 . 3.800 3.474 3.471 3.480 . 0 0 "[ . 1 . 2]" 1
418 1 53 LEU H 1 54 VAL MG1 5.000 . 5.000 3.948 3.935 3.967 . 0 0 "[ . 1 . 2]" 1
419 1 53 LEU H 1 54 VAL H 3.000 . 3.000 2.414 2.393 2.446 . 0 0 "[ . 1 . 2]" 1
420 1 53 LEU H 1 53 LEU HA 3.000 . 3.000 2.917 2.909 2.922 . 0 0 "[ . 1 . 2]" 1
421 1 53 LEU H 1 53 LEU MD1 5.500 . 5.500 4.269 4.258 4.281 . 0 0 "[ . 1 . 2]" 1
422 1 53 LEU H 1 53 LEU HG 5.000 . 5.000 4.170 4.144 4.200 . 0 0 "[ . 1 . 2]" 1
423 1 54 VAL MG2 1 64 VAL MG2 5.000 . 5.000 2.721 2.560 2.853 . 0 0 "[ . 1 . 2]" 1
424 1 54 VAL MG2 1 64 VAL MG1 5.000 . 5.000 3.028 3.007 3.060 . 0 0 "[ . 1 . 2]" 1
425 1 54 VAL MG2 1 111 LEU MD2 5.000 . 5.000 3.295 3.276 3.325 . 0 0 "[ . 1 . 2]" 1
426 1 54 VAL MG2 1 111 LEU MD1 5.000 . 5.000 2.242 2.193 2.355 . 0 0 "[ . 1 . 2]" 1
427 1 50 VAL MG1 1 54 VAL MG2 5.000 . 5.000 2.786 2.665 2.987 . 0 0 "[ . 1 . 2]" 1
428 1 54 VAL MG2 1 117 PHE QB 5.000 . 5.000 2.701 2.628 2.781 . 0 0 "[ . 1 . 2]" 1
429 1 54 VAL MG2 1 111 LEU QB 5.000 . 5.000 3.411 3.301 3.525 . 0 0 "[ . 1 . 2]" 1
430 1 51 SER HA 1 54 VAL MG2 5.000 . 5.000 2.239 2.190 2.290 . 0 0 "[ . 1 . 2]" 1
431 1 16 LEU MD2 1 54 VAL HB 5.000 . 5.000 3.455 3.375 3.830 . 0 0 "[ . 1 . 2]" 1
432 1 54 VAL HB 1 64 VAL MG1 5.000 . 5.000 3.252 3.006 3.357 . 0 0 "[ . 1 . 2]" 1
433 1 54 VAL HB 1 64 VAL MG2 5.000 . 5.000 2.280 2.190 2.361 . 0 0 "[ . 1 . 2]" 1
434 1 51 SER HA 1 54 VAL H 4.000 . 4.000 3.464 3.434 3.494 . 0 0 "[ . 1 . 2]" 1
435 1 53 LEU HA 1 54 VAL H 4.000 . 4.000 3.479 3.469 3.488 . 0 0 "[ . 1 . 2]" 1
436 1 53 LEU QB 1 54 VAL H 5.000 . 5.000 2.993 2.959 3.039 . 0 0 "[ . 1 . 2]" 1
437 1 53 LEU HG 1 54 VAL H 4.200 . 4.200 3.566 3.534 3.643 . 0 0 "[ . 1 . 2]" 1
438 1 54 VAL H 1 55 LYS QB 5.500 . 5.500 3.856 3.744 3.918 . 0 0 "[ . 1 . 2]" 1
439 1 54 VAL H 1 55 LYS H 2.772 . 2.772 2.329 2.309 2.383 . 0 0 "[ . 1 . 2]" 1
440 1 54 VAL HA 1 55 LYS HA 5.000 . 5.000 4.723 4.609 4.793 . 0 0 "[ . 1 . 2]" 1
441 1 55 LYS HA 1 117 PHE QB 5.000 . 5.000 4.332 4.111 4.481 . 0 0 "[ . 1 . 2]" 1
442 1 54 VAL HA 1 55 LYS H 4.000 . 4.000 3.129 3.120 3.145 . 0 0 "[ . 1 . 2]" 1
443 1 53 LEU H 1 55 LYS H 4.500 . 4.500 3.899 3.868 4.020 . 0 0 "[ . 1 . 2]" 1
444 1 52 SER HA 1 55 LYS H 4.000 . 4.000 3.307 3.251 3.427 . 0 0 "[ . 1 . 2]" 1
445 1 54 VAL MG2 1 55 LYS H 5.000 . 5.000 3.244 3.212 3.273 . 0 0 "[ . 1 . 2]" 1
446 1 55 LYS H 1 55 LYS QG 4.500 . 4.500 3.805 2.291 4.066 . 0 0 "[ . 1 . 2]" 1
447 1 55 LYS HA 1 56 SER H 3.600 . 3.600 3.443 3.346 3.506 . 0 0 "[ . 1 . 2]" 1
448 1 54 VAL HA 1 56 SER H 4.000 . 4.000 3.469 3.264 4.002 0.002 17 0 "[ . 1 . 2]" 1
449 1 55 LYS QB 1 56 SER H 5.000 . 5.000 3.064 2.806 3.566 . 0 0 "[ . 1 . 2]" 1
450 1 56 SER H 1 57 ILE HA 5.000 . 5.000 4.533 4.356 4.793 . 0 0 "[ . 1 . 2]" 1
451 1 56 SER H 1 57 ILE MG 5.000 . 5.000 3.946 3.640 3.997 . 0 0 "[ . 1 . 2]" 1
452 1 56 SER H 1 56 SER HA 3.000 . 3.000 2.984 2.952 3.000 . 0 0 "[ . 1 . 2]" 1
453 1 18 LEU QD 1 57 ILE MD 5.000 . 5.000 2.545 1.886 2.692 . 0 0 "[ . 1 . 2]" 1
454 1 57 ILE MD 1 130 PRO QB 5.000 . 5.000 2.273 2.052 2.429 . 0 0 "[ . 1 . 2]" 1
455 1 57 ILE MD 1 61 TYR HB3 5.000 . 5.000 2.071 1.997 2.351 . 0 0 "[ . 1 . 2]" 1
456 1 57 ILE MD 1 61 TYR HB2 5.000 . 5.000 2.084 2.052 2.173 . 0 0 "[ . 1 . 2]" 1
457 1 18 LEU HA 1 57 ILE MD 5.000 . 5.000 3.468 3.000 3.962 . 0 0 "[ . 1 . 2]" 1
458 1 57 ILE MD 1 61 TYR HA 5.000 . 5.000 4.108 3.777 4.177 . 0 0 "[ . 1 . 2]" 1
459 1 57 ILE MD 1 61 TYR QD 5.000 . 5.000 2.695 2.410 3.254 . 0 0 "[ . 1 . 2]" 1
460 1 16 LEU MD2 1 57 ILE HA 5.000 . 5.000 3.216 2.968 3.549 . 0 0 "[ . 1 . 2]" 1
461 1 18 LEU MD2 1 57 ILE HA 5.000 . 5.000 3.222 2.988 3.635 . 0 0 "[ . 1 . 2]" 1
462 1 16 LEU MD2 1 57 ILE HB 5.000 . 5.000 3.362 2.378 3.965 . 0 0 "[ . 1 . 2]" 1
463 1 55 LYS HA 1 57 ILE H 4.000 . 4.000 3.656 3.590 3.732 . 0 0 "[ . 1 . 2]" 1
464 1 54 VAL HA 1 57 ILE H 4.200 . 4.200 3.979 3.673 4.202 0.002 11 0 "[ . 1 . 2]" 1
465 1 56 SER HA 1 57 ILE H 3.200 . 3.200 2.978 2.839 3.208 0.008 17 0 "[ . 1 . 2]" 1
466 1 57 ILE H 1 58 GLY H 2.950 . 2.950 2.945 2.791 3.021 0.071 18 0 "[ . 1 . 2]" 1
467 1 57 ILE H 1 57 ILE HA 3.000 . 3.000 2.818 2.785 2.864 . 0 0 "[ . 1 . 2]" 1
468 1 57 ILE H 1 57 ILE HB 2.725 . 2.725 2.705 2.502 2.825 0.100 15 0 "[ . 1 . 2]" 1
469 1 57 ILE H 1 57 ILE MD 5.000 . 5.000 4.193 4.123 4.257 . 0 0 "[ . 1 . 2]" 1
470 1 58 GLY H 1 61 TYR QB 5.000 . 5.000 3.958 3.793 4.148 . 0 0 "[ . 1 . 2]" 1
471 1 58 GLY H 1 61 TYR QD 5.500 . 5.500 5.031 2.984 5.408 . 0 0 "[ . 1 . 2]" 1
472 1 56 SER HA 1 58 GLY H 4.200 . 4.200 4.161 4.043 4.219 0.019 6 0 "[ . 1 . 2]" 1
473 1 57 ILE HB 1 58 GLY H 4.000 . 4.000 3.803 3.705 3.933 . 0 0 "[ . 1 . 2]" 1
474 1 57 ILE MD 1 58 GLY H 5.000 . 5.000 3.809 3.494 4.171 . 0 0 "[ . 1 . 2]" 1
475 1 57 ILE QG 1 58 GLY H 5.500 . 5.500 2.755 2.363 3.134 . 0 0 "[ . 1 . 2]" 1
476 1 57 ILE MG 1 58 GLY H 5.000 . 5.000 1.638 1.585 1.687 0.215 16 0 "[ . 1 . 2]" 1
477 1 59 ASN H 1 61 TYR H 4.500 . 4.500 4.264 4.088 4.583 0.083 17 0 "[ . 1 . 2]" 1
478 1 58 GLY QA 1 59 ASN H 4.000 . 4.000 2.242 2.194 2.286 . 0 0 "[ . 1 . 2]" 1
479 1 59 ASN H 1 59 ASN HA 2.696 . 2.696 2.813 2.740 2.856 0.160 19 0 "[ . 1 . 2]" 1
480 1 59 ASN H 1 59 ASN QD 5.000 . 5.000 2.950 1.292 4.275 0.508 2 1 "[ + . 1 . 2]" 1
481 1 59 ASN H 1 60 SER H 3.500 . 3.500 2.777 2.645 2.885 . 0 0 "[ . 1 . 2]" 1
482 1 60 SER H 1 60 SER HA . . 3.000 2.872 2.851 2.885 . 0 0 "[ . 1 . 2]" 1
483 1 59 ASN HA 1 60 SER H 3.800 . 3.800 3.532 3.453 3.579 . 0 0 "[ . 1 . 2]" 1
484 1 60 SER H 1 61 TYR QD 5.500 . 5.500 4.340 4.170 4.548 . 0 0 "[ . 1 . 2]" 1
485 1 60 SER H 1 61 TYR H 3.000 . 3.000 2.914 2.812 3.002 0.002 20 0 "[ . 1 . 2]" 1
486 1 59 ASN QB 1 60 SER H 5.000 . 5.000 2.838 2.337 3.613 . 0 0 "[ . 1 . 2]" 1
487 1 60 SER HA 1 61 TYR HA 5.000 . 5.000 4.458 4.437 4.483 . 0 0 "[ . 1 . 2]" 1
488 1 57 ILE QG 1 61 TYR H 5.500 . 5.500 4.068 3.704 4.492 . 0 0 "[ . 1 . 2]" 1
489 1 57 ILE MG 1 61 TYR H 6.000 . 6.000 4.306 3.562 4.871 . 0 0 "[ . 1 . 2]" 1
490 1 58 GLY QA 1 61 TYR H 5.500 . 5.500 4.153 3.998 4.659 . 0 0 "[ . 1 . 2]" 1
491 1 59 ASN HA 1 61 TYR H 4.000 . 4.000 3.200 3.028 3.324 . 0 0 "[ . 1 . 2]" 1
492 1 60 SER HA 1 61 TYR H 3.500 . 3.500 3.137 3.049 3.245 . 0 0 "[ . 1 . 2]" 1
493 1 61 TYR H 1 62 SER H 3.527 . 3.527 4.041 4.002 4.142 0.615 6 11 "[*****+*- 1 * *. * 2]" 1
494 1 61 TYR H 1 61 TYR HA 3.000 . 3.000 2.923 2.907 2.967 . 0 0 "[ . 1 . 2]" 1
495 1 62 SER HA 1 113 ARG QB 5.000 . 5.000 2.233 2.174 2.365 . 0 0 "[ . 1 . 2]" 1
496 1 62 SER HA 1 113 ARG QG 5.000 . 5.000 3.792 3.079 3.999 . 0 0 "[ . 1 . 2]" 1
497 1 62 SER HA 1 113 ARG QD 5.000 . 5.000 2.862 2.330 4.423 . 0 0 "[ . 1 . 2]" 1
498 1 61 TYR HA 1 62 SER H 2.608 . 2.608 2.185 2.157 2.209 . 0 0 "[ . 1 . 2]" 1
499 1 61 TYR QB 1 62 SER H 5.000 . 5.000 3.342 3.125 3.569 . 0 0 "[ . 1 . 2]" 1
500 1 61 TYR QD 1 62 SER H 5.000 . 5.000 3.792 3.582 3.910 . 0 0 "[ . 1 . 2]" 1
501 1 62 SER H 1 63 TYR HA 4.830 . 4.830 4.788 4.757 4.811 . 0 0 "[ . 1 . 2]" 1
502 1 62 SER H 1 63 TYR H 2.000 . 2.000 2.018 1.995 2.042 0.042 6 0 "[ . 1 . 2]" 1
503 1 62 SER H 1 62 SER HA 3.000 . 3.000 2.997 2.989 3.002 0.002 10 0 "[ . 1 . 2]" 1
504 1 63 TYR HA 1 63 TYR HD2 4.500 . 4.500 3.545 3.303 3.607 . 0 0 "[ . 1 . 2]" 1
505 1 63 TYR HD2 1 64 VAL H 4.500 . 4.500 3.771 3.314 3.914 . 0 0 "[ . 1 . 2]" 1
506 1 63 TYR HD2 1 112 SER HA 3.500 . 3.500 3.145 3.062 3.198 . 0 0 "[ . 1 . 2]" 1
507 1 63 TYR HD1 1 129 LEU MD2 5.500 . 5.500 4.168 4.066 4.237 . 0 0 "[ . 1 . 2]" 1
508 1 62 SER QB 1 63 TYR HE1 5.000 . 5.000 2.972 2.707 3.735 . 0 0 "[ . 1 . 2]" 1
509 1 63 TYR HE1 1 112 SER HA 4.000 . 4.000 4.036 4.018 4.068 0.068 6 0 "[ . 1 . 2]" 1
510 1 63 TYR H 1 129 LEU MD2 . . 3.800 3.219 3.019 3.247 . 0 0 "[ . 1 . 2]" 1
511 1 63 TYR H 1 113 ARG H 5.000 . 5.000 4.497 4.406 4.718 . 0 0 "[ . 1 . 2]" 1
512 1 63 TYR HA 1 110 SER QB 5.000 . 5.000 4.275 4.106 4.428 . 0 0 "[ . 1 . 2]" 1
513 1 63 TYR HA 1 112 SER HA 2.800 . 2.800 2.777 2.715 2.853 0.053 6 0 "[ . 1 . 2]" 1
514 1 62 SER HA 1 63 TYR H 3.800 . 3.800 3.523 3.266 3.544 . 0 0 "[ . 1 . 2]" 1
515 1 61 TYR QB 1 63 TYR H 5.000 . 5.000 4.034 3.085 4.235 . 0 0 "[ . 1 . 2]" 1
516 1 61 TYR HA 1 63 TYR H 3.800 . 3.800 3.808 3.656 3.835 0.035 19 0 "[ . 1 . 2]" 1
517 1 64 VAL H 1 112 SER HA 5.000 . 5.000 4.322 4.260 4.381 . 0 0 "[ . 1 . 2]" 1
518 1 64 VAL H 1 112 SER H 5.000 . 5.000 5.065 5.050 5.088 0.088 6 0 "[ . 1 . 2]" 1
519 1 64 VAL H 1 111 LEU QB 5.000 . 5.000 2.840 2.674 3.056 . 0 0 "[ . 1 . 2]" 1
520 1 64 VAL H 1 111 LEU H 3.800 . 3.800 2.421 2.365 2.474 . 0 0 "[ . 1 . 2]" 1
521 1 64 VAL H 1 110 SER HA 5.000 . 5.000 4.314 4.190 4.417 . 0 0 "[ . 1 . 2]" 1
522 1 64 VAL H 1 110 SER QB 5.000 . 5.000 2.813 2.450 3.074 . 0 0 "[ . 1 . 2]" 1
523 1 64 VAL MG1 1 132 VAL MG2 5.000 . 5.000 2.698 2.488 2.927 . 0 0 "[ . 1 . 2]" 1
524 1 64 VAL MG1 1 131 TYR H 5.000 . 5.000 3.844 3.791 3.892 . 0 0 "[ . 1 . 2]" 1
525 1 64 VAL MG1 1 131 TYR HA 5.000 . 5.000 1.946 1.919 1.972 . 0 0 "[ . 1 . 2]" 1
526 1 64 VAL MG1 1 130 PRO QB 5.000 . 5.000 3.045 2.969 3.063 . 0 0 "[ . 1 . 2]" 1
527 1 54 VAL MG1 1 64 VAL MG1 5.000 . 5.000 2.364 2.296 2.417 . 0 0 "[ . 1 . 2]" 1
528 1 16 LEU MD1 1 64 VAL MG1 5.000 . 5.000 3.159 3.056 3.364 . 0 0 "[ . 1 . 2]" 1
529 1 64 VAL HB 1 111 LEU MD1 5.000 . 5.000 2.120 2.049 2.182 . 0 0 "[ . 1 . 2]" 1
530 1 63 TYR HA 1 64 VAL H 2.754 . 2.754 2.406 2.379 2.480 . 0 0 "[ . 1 . 2]" 1
531 1 63 TYR QB 1 64 VAL H 5.000 . 5.000 2.452 2.400 2.501 . 0 0 "[ . 1 . 2]" 1
532 1 64 VAL H 1 64 VAL HB 3.000 . 3.000 2.766 2.732 2.812 . 0 0 "[ . 1 . 2]" 1
533 1 65 TRP H 1 129 LEU QB 5.000 . 5.000 2.517 2.370 2.673 . 0 0 "[ . 1 . 2]" 1
534 1 65 TRP H 1 129 LEU QD 5.000 . 5.000 3.538 3.437 3.665 . 0 0 "[ . 1 . 2]" 1
535 1 65 TRP H 1 132 VAL H 5.000 . 5.000 4.796 4.650 4.954 . 0 0 "[ . 1 . 2]" 1
536 1 65 TRP H 1 131 TYR HA . . 2.800 2.792 2.622 2.835 0.035 2 0 "[ . 1 . 2]" 1
537 1 65 TRP H 1 131 TYR QB 5.000 . 5.000 2.901 2.755 3.045 . 0 0 "[ . 1 . 2]" 1
538 1 65 TRP H 1 131 TYR QD 5.000 . 5.000 4.735 4.557 4.825 . 0 0 "[ . 1 . 2]" 1
539 1 65 TRP H 1 129 LEU H 5.000 . 5.000 4.756 4.628 4.953 . 0 0 "[ . 1 . 2]" 1
540 1 65 TRP HA 1 110 SER HA 2.800 . 2.800 2.761 2.714 2.818 0.018 17 0 "[ . 1 . 2]" 1
541 1 65 TRP HA 1 110 SER QB 5.000 . 5.000 2.319 2.273 2.418 . 0 0 "[ . 1 . 2]" 1
542 1 65 TRP HA 1 129 LEU MD1 5.000 . 5.000 3.526 3.306 3.725 . 0 0 "[ . 1 . 2]" 1
543 1 64 VAL HB 1 65 TRP H 4.500 . 4.500 4.061 3.909 4.154 . 0 0 "[ . 1 . 2]" 1
544 1 64 VAL MG1 1 65 TRP H 5.000 . 5.000 2.346 2.150 2.460 . 0 0 "[ . 1 . 2]" 1
545 1 64 VAL H 1 65 TRP H 4.507 . 4.507 4.377 4.341 4.421 . 0 0 "[ . 1 . 2]" 1
546 1 64 VAL HA 1 65 TRP H 2.880 . 2.880 2.283 2.259 2.323 . 0 0 "[ . 1 . 2]" 1
547 1 65 TRP H 1 66 ILE H 5.000 . 5.000 4.668 4.634 4.689 . 0 0 "[ . 1 . 2]" 1
548 1 65 TRP H 1 65 TRP HD1 5.000 . 5.000 4.180 4.042 4.318 . 0 0 "[ . 1 . 2]" 1
549 1 66 ILE H 1 110 SER QB 5.000 . 5.000 3.906 3.777 4.019 . 0 0 "[ . 1 . 2]" 1
550 1 66 ILE H 1 111 LEU H 5.000 . 5.000 4.883 4.819 4.925 . 0 0 "[ . 1 . 2]" 1
551 1 66 ILE H 1 110 SER HA 3.000 . 3.000 3.042 3.011 3.060 0.060 19 0 "[ . 1 . 2]" 1
552 1 23 TRP HD1 1 66 ILE H 5.000 . 5.000 2.949 2.787 3.138 . 0 0 "[ . 1 . 2]" 1
553 1 38 LEU QB 1 66 ILE H 5.000 . 5.000 4.366 4.316 4.396 . 0 0 "[ . 1 . 2]" 1
554 1 38 LEU MD1 1 66 ILE H 5.000 . 5.000 3.773 3.678 3.844 . 0 0 "[ . 1 . 2]" 1
555 1 38 LEU MD2 1 66 ILE H 5.000 . 5.000 3.975 3.847 4.025 . 0 0 "[ . 1 . 2]" 1
556 1 66 ILE MD 1 111 LEU MD2 5.000 . 5.000 3.222 3.158 3.270 . 0 0 "[ . 1 . 2]" 1
557 1 66 ILE MD 1 111 LEU MD1 5.000 . 5.000 3.159 3.117 3.193 . 0 0 "[ . 1 . 2]" 1
558 1 41 VAL QG 1 66 ILE MD 5.000 . 5.000 2.537 2.435 2.620 . 0 0 "[ . 1 . 2]" 1
559 1 66 ILE MD 1 109 ALA MB 4.500 2.500 4.500 2.378 2.246 2.533 0.254 7 0 "[ . 1 . 2]" 1
560 1 66 ILE MD 1 120 TRP QB 5.000 . 5.000 2.896 2.735 3.083 . 0 0 "[ . 1 . 2]" 1
561 1 66 ILE MD 1 120 TRP HE1 5.000 . 5.000 3.460 3.024 4.208 . 0 0 "[ . 1 . 2]" 1
562 1 39 VAL MG1 1 66 ILE HA 5.000 . 5.000 2.225 2.152 2.351 . 0 0 "[ . 1 . 2]" 1
563 1 39 VAL H 1 66 ILE HA 5.000 . 5.000 3.729 3.651 3.801 . 0 0 "[ . 1 . 2]" 1
564 1 66 ILE HA 1 132 VAL H 3.800 . 3.800 3.985 3.935 4.020 0.220 4 0 "[ . 1 . 2]" 1
565 1 66 ILE H 1 68 LEU H . . 4.026 3.893 3.807 3.974 . 0 0 "[ . 1 . 2]" 1
566 1 65 TRP QB 1 66 ILE H 5.000 . 5.000 2.959 2.897 3.065 . 0 0 "[ . 1 . 2]" 1
567 1 66 ILE H 1 67 GLY H 4.500 . 4.500 4.427 4.407 4.442 . 0 0 "[ . 1 . 2]" 1
568 1 66 ILE H 1 66 ILE HA 3.000 . 3.000 2.979 2.972 2.988 . 0 0 "[ . 1 . 2]" 1
569 1 66 ILE H 1 66 ILE MD 5.500 . 5.500 3.929 3.879 3.973 . 0 0 "[ . 1 . 2]" 1
570 1 66 ILE H 1 66 ILE QG 5.000 . 5.000 2.194 2.134 2.266 . 0 0 "[ . 1 . 2]" 1
571 1 23 TRP HE1 1 67 GLY H 5.000 . 5.000 4.619 4.343 4.946 . 0 0 "[ . 1 . 2]" 1
572 1 39 VAL MG1 1 67 GLY H 5.000 . 5.000 2.633 2.466 2.790 . 0 0 "[ . 1 . 2]" 1
573 1 38 LEU QB 1 67 GLY H 5.000 . 5.000 2.417 2.370 2.460 . 0 0 "[ . 1 . 2]" 1
574 1 38 LEU MD1 1 67 GLY H 5.000 . 5.000 4.031 3.960 4.074 . 0 0 "[ . 1 . 2]" 1
575 1 38 LEU MD2 1 67 GLY H 5.000 . 5.000 4.039 3.986 4.082 . 0 0 "[ . 1 . 2]" 1
576 1 40 SER HA 1 67 GLY H 5.000 . 5.000 3.957 3.731 4.157 . 0 0 "[ . 1 . 2]" 1
577 1 67 GLY H 1 85 SER H 5.000 . 5.000 5.170 5.144 5.207 0.207 14 0 "[ . 1 . 2]" 1
578 1 66 ILE HA 1 67 GLY H 3.000 . 3.000 2.592 2.535 2.631 . 0 0 "[ . 1 . 2]" 1
579 1 66 ILE HB 1 67 GLY H 3.000 . 3.000 2.254 2.148 2.414 . 0 0 "[ . 1 . 2]" 1
580 1 66 ILE MD 1 67 GLY H 5.500 . 5.500 4.098 3.999 4.213 . 0 0 "[ . 1 . 2]" 1
581 1 66 ILE QG 1 67 GLY H 5.000 . 5.000 3.417 3.237 3.556 . 0 0 "[ . 1 . 2]" 1
582 1 67 GLY H 1 68 LEU QB 5.500 . 5.500 4.313 4.250 4.416 . 0 0 "[ . 1 . 2]" 1
583 1 67 GLY H 1 68 LEU H . . 3.471 3.528 3.419 3.569 0.098 7 0 "[ . 1 . 2]" 1
584 1 23 TRP HE1 1 68 LEU H 4.000 . 4.000 2.042 1.791 2.391 0.009 3 0 "[ . 1 . 2]" 1
585 1 68 LEU H 1 109 ALA H 4.000 . 4.000 3.717 3.600 3.932 . 0 0 "[ . 1 . 2]" 1
586 1 38 LEU QB 1 68 LEU H 5.500 . 5.500 4.108 4.028 4.244 . 0 0 "[ . 1 . 2]" 1
587 1 68 LEU H 1 85 SER H . . 5.000 4.468 4.278 4.879 . 0 0 "[ . 1 . 2]" 1
588 1 68 LEU H 1 84 TRP HA 5.000 . 5.000 4.630 4.540 4.771 . 0 0 "[ . 1 . 2]" 1
589 1 68 LEU MD1 1 82 TRP QB 5.000 . 5.000 2.285 1.977 2.804 . 0 0 "[ . 1 . 2]" 1
590 1 68 LEU MD1 1 83 GLU HA 5.000 . 5.000 3.434 2.779 3.708 . 0 0 "[ . 1 . 2]" 1
591 1 68 LEU MD2 1 82 TRP QB 5.000 . 5.000 3.163 2.156 3.675 . 0 0 "[ . 1 . 2]" 1
592 1 68 LEU MD2 1 84 TRP HA 5.000 . 5.000 2.695 2.098 4.004 . 0 0 "[ . 1 . 2]" 1
593 1 68 LEU MD2 1 83 GLU H 5.000 . 5.000 4.068 3.904 4.248 . 0 0 "[ . 1 . 2]" 1
594 1 68 LEU MD2 1 84 TRP H 5.000 . 5.000 3.454 2.928 4.086 . 0 0 "[ . 1 . 2]" 1
595 1 67 GLY QA 1 68 LEU H 4.500 . 4.500 2.589 2.540 2.707 . 0 0 "[ . 1 . 2]" 1
596 1 66 ILE HA 1 68 LEU H 5.000 . 5.000 4.647 4.557 4.724 . 0 0 "[ . 1 . 2]" 1
597 1 66 ILE HB 1 68 LEU H 4.000 . 4.000 4.047 3.940 4.094 0.094 3 0 "[ . 1 . 2]" 1
598 1 66 ILE MD 1 68 LEU H 5.000 . 5.000 4.113 3.873 4.184 . 0 0 "[ . 1 . 2]" 1
599 1 68 LEU H 1 69 HIS H . . 4.800 4.320 4.256 4.355 . 0 0 "[ . 1 . 2]" 1
600 1 68 LEU H 1 68 LEU HA 3.000 . 3.000 2.986 2.975 2.996 . 0 0 "[ . 1 . 2]" 1
601 1 68 LEU H 1 68 LEU HG 5.000 . 5.000 4.905 4.547 5.042 0.042 7 0 "[ . 1 . 2]" 1
602 1 69 HIS H 1 69 HIS HD2 3.500 . 3.500 2.145 1.799 2.387 0.001 5 0 "[ . 1 . 2]" 1
603 1 68 LEU HA 1 69 HIS HD2 5.000 . 5.000 3.262 2.881 3.675 . 0 0 "[ . 1 . 2]" 1
604 1 69 HIS HD2 1 85 SER HA 5.000 . 5.000 4.020 3.388 4.540 . 0 0 "[ . 1 . 2]" 1
605 1 69 HIS H 1 83 GLU H 3.000 . 3.000 3.068 3.012 3.123 0.123 4 0 "[ . 1 . 2]" 1
606 1 69 HIS H 1 85 SER H 5.000 . 5.000 4.328 4.012 4.933 . 0 0 "[ . 1 . 2]" 1
607 1 69 HIS H 1 84 TRP HA 4.000 . 4.000 3.572 3.412 3.694 . 0 0 "[ . 1 . 2]" 1
608 1 68 LEU HA 1 69 HIS H 3.047 . 3.047 2.202 2.152 2.224 . 0 0 "[ . 1 . 2]" 1
609 1 68 LEU QB 1 69 HIS H 5.000 . 5.000 3.713 3.636 3.778 . 0 0 "[ . 1 . 2]" 1
610 1 68 LEU MD1 1 69 HIS H 5.000 . 5.000 1.693 1.628 1.737 0.172 4 0 "[ . 1 . 2]" 1
611 1 69 HIS H 1 70 ASP H 4.500 . 4.500 4.379 4.367 4.395 . 0 0 "[ . 1 . 2]" 1
612 1 69 HIS H 1 69 HIS HA 3.000 . 3.000 2.976 2.961 2.994 . 0 0 "[ . 1 . 2]" 1
613 1 70 ASP H 1 108 CYS HA 3.800 . 3.800 3.727 3.246 3.861 0.061 17 0 "[ . 1 . 2]" 1
614 1 70 ASP H 1 107 HIS HA 4.200 . 4.200 3.261 2.876 3.771 . 0 0 "[ . 1 . 2]" 1
615 1 70 ASP H 1 107 HIS QB 5.000 . 5.000 3.012 2.682 3.630 . 0 0 "[ . 1 . 2]" 1
616 1 70 ASP HA 1 83 GLU H 3.800 . 3.800 3.646 3.496 3.783 . 0 0 "[ . 1 . 2]" 1
617 1 69 HIS HA 1 70 ASP H 2.500 . 2.500 2.559 2.542 2.575 0.075 15 0 "[ . 1 . 2]" 1
618 1 69 HIS HD1 1 70 ASP H 4.000 . 4.000 3.075 2.789 3.370 . 0 0 "[ . 1 . 2]" 1
619 1 69 HIS HD2 1 70 ASP H 5.000 . 5.000 5.116 5.087 5.154 0.154 17 0 "[ . 1 . 2]" 1
620 1 71 PRO HA 1 73 GLN QG 5.000 . 5.000 3.657 3.221 4.523 . 0 0 "[ . 1 . 2]" 1
621 1 72 THR HA 1 73 GLN QB 5.000 . 5.000 4.116 3.992 4.257 . 0 0 "[ . 1 . 2]" 1
622 1 72 THR H 1 81 GLY QA 5.000 . 5.000 4.105 3.910 4.218 . 0 0 "[ . 1 . 2]" 1
623 1 71 PRO QD 1 72 THR H 5.000 . 5.000 3.015 2.750 3.507 . 0 0 "[ . 1 . 2]" 1
624 1 71 PRO HA 1 72 THR H 3.600 . 3.600 3.335 3.188 3.450 . 0 0 "[ . 1 . 2]" 1
625 1 70 ASP HA 1 72 THR H 3.500 . 3.500 3.388 3.239 3.539 0.039 11 0 "[ . 1 . 2]" 1
626 1 72 THR H 1 73 GLN H 3.000 . 3.000 2.327 2.070 2.628 . 0 0 "[ . 1 . 2]" 1
627 1 73 GLN QB 1 75 THR HG1 5.500 . 5.500 2.913 2.063 3.581 . 0 0 "[ . 1 . 2]" 1
628 1 73 GLN H 1 107 HIS QB 5.000 . 5.000 4.124 4.084 4.170 . 0 0 "[ . 1 . 2]" 1
629 1 71 PRO HA 1 73 GLN H 4.000 . 4.000 3.925 3.698 4.030 0.030 2 0 "[ . 1 . 2]" 1
630 1 72 THR MG 1 73 GLN H 5.500 . 5.500 3.622 2.167 3.971 . 0 0 "[ . 1 . 2]" 1
631 1 73 GLN H 1 73 GLN QG 4.500 . 4.500 2.655 2.500 2.738 . 0 0 "[ . 1 . 2]" 1
632 1 73 GLN H 1 74 GLY H 4.000 . 4.000 2.891 2.781 3.323 . 0 0 "[ . 1 . 2]" 1
633 1 74 GLY H 1 107 HIS HE1 5.000 . 5.000 4.882 4.134 5.005 0.005 17 0 "[ . 1 . 2]" 1
634 1 74 GLY H 1 75 THR H 4.000 . 4.000 2.607 2.083 3.105 . 0 0 "[ . 1 . 2]" 1
635 1 75 THR HA 1 76 GLU HA 5.000 . 5.000 4.622 4.373 4.935 . 0 0 "[ . 1 . 2]" 1
636 1 72 THR HA 1 75 THR H 5.000 . 5.000 4.100 3.292 4.623 . 0 0 "[ . 1 . 2]" 1
637 1 72 THR HB 1 75 THR H 4.000 . 4.000 3.046 2.087 3.917 . 0 0 "[ . 1 . 2]" 1
638 1 74 GLY QA 1 75 THR H 5.000 . 5.000 2.707 2.447 2.935 . 0 0 "[ . 1 . 2]" 1
639 1 75 THR H 1 75 THR HA 3.000 . 3.000 2.945 2.891 2.984 . 0 0 "[ . 1 . 2]" 1
640 1 75 THR H 1 75 THR HB 4.000 . 4.000 3.629 2.577 3.962 . 0 0 "[ . 1 . 2]" 1
641 1 75 THR H 1 75 THR HG1 4.000 . 4.000 2.932 1.935 3.839 . 0 0 "[ . 1 . 2]" 1
642 1 75 THR H 1 76 GLU H 3.000 . 3.000 2.712 1.850 3.010 0.010 14 0 "[ . 1 . 2]" 1
643 1 76 GLU H 1 76 GLU HA 3.000 . 3.000 2.885 2.712 2.997 . 0 0 "[ . 1 . 2]" 1
644 1 75 THR HA 1 76 GLU H 4.000 . 4.000 2.998 2.470 3.588 . 0 0 "[ . 1 . 2]" 1
645 1 77 PRO HA 1 78 ASN HA 4.500 . 4.500 4.482 4.422 4.580 0.080 5 0 "[ . 1 . 2]" 1
646 1 78 ASN QB 1 80 GLU QB 5.500 . 5.500 3.604 2.967 4.276 . 0 0 "[ . 1 . 2]" 1
647 1 78 ASN QB 1 80 GLU QG 5.000 . 5.000 3.179 2.753 4.009 . 0 0 "[ . 1 . 2]" 1
648 1 76 GLU QB 1 78 ASN H 5.000 . 5.000 3.160 2.440 4.078 . 0 0 "[ . 1 . 2]" 1
649 1 78 ASN H 1 80 GLU H 5.000 . 5.000 4.604 4.041 5.006 0.006 5 0 "[ . 1 . 2]" 1
650 1 77 PRO HA 1 78 ASN H 5.000 . 5.000 3.135 2.903 3.583 . 0 0 "[ . 1 . 2]" 1
651 1 77 PRO HD2 1 78 ASN H 5.000 . 5.000 3.739 3.093 4.043 . 0 0 "[ . 1 . 2]" 1
652 1 78 ASN H 1 79 GLY QA 5.000 . 5.000 3.792 3.576 4.293 . 0 0 "[ . 1 . 2]" 1
653 1 78 ASN H 1 79 GLY H 2.820 . 2.820 1.972 1.784 2.302 0.016 8 0 "[ . 1 . 2]" 1
654 1 78 ASN H 1 78 ASN QD 5.000 . 5.000 3.441 2.333 4.357 . 0 0 "[ . 1 . 2]" 1
655 1 79 GLY QA 1 100 SER HA 5.000 . 5.000 4.244 3.974 4.522 . 0 0 "[ . 1 . 2]" 1
656 1 79 GLY QA 1 100 SER QB 5.000 . 5.000 3.179 2.794 3.593 . 0 0 "[ . 1 . 2]" 1
657 1 77 PRO HA 1 79 GLY H 5.000 . 5.000 4.798 4.282 5.059 0.059 8 0 "[ . 1 . 2]" 1
658 1 78 ASN HA 1 79 GLY H 5.000 . 5.000 3.524 3.329 3.584 . 0 0 "[ . 1 . 2]" 1
659 1 78 ASN QB 1 79 GLY H 5.000 . 5.000 2.737 2.242 3.385 . 0 0 "[ . 1 . 2]" 1
660 1 79 GLY H 1 80 GLU QB 5.000 . 5.000 4.195 4.099 4.431 . 0 0 "[ . 1 . 2]" 1
661 1 79 GLY H 1 80 GLU H 3.500 . 3.500 2.814 2.426 3.102 . 0 0 "[ . 1 . 2]" 1
662 1 80 GLU HA 1 82 TRP HD1 4.500 . 4.500 4.316 2.665 4.551 0.051 17 0 "[ . 1 . 2]" 1
663 1 79 GLY QA 1 80 GLU H 5.000 . 5.000 2.416 2.295 2.603 . 0 0 "[ . 1 . 2]" 1
664 1 76 GLU QB 1 80 GLU H 5.000 . 5.000 3.053 2.243 3.918 . 0 0 "[ . 1 . 2]" 1
665 1 76 GLU QG 1 80 GLU H 5.000 . 5.000 3.183 1.715 4.519 0.085 16 0 "[ . 1 . 2]" 1
666 1 80 GLU H 1 80 GLU HA 3.000 . 3.000 2.937 2.890 2.970 . 0 0 "[ . 1 . 2]" 1
667 1 80 GLU H 1 81 GLY H 3.000 . 3.000 2.575 1.873 3.005 0.005 11 0 "[ . 1 . 2]" 1
668 1 76 GLU QB 1 81 GLY H 5.000 . 5.000 4.447 3.864 4.535 . 0 0 "[ . 1 . 2]" 1
669 1 72 THR MG 1 81 GLY H 5.500 . 5.500 3.283 1.824 4.424 . 0 0 "[ . 1 . 2]" 1
670 1 79 GLY QA 1 81 GLY H 5.000 . 5.000 3.852 3.474 4.379 . 0 0 "[ . 1 . 2]" 1
671 1 80 GLU HA 1 81 GLY H 3.231 . 3.231 2.736 2.442 3.051 . 0 0 "[ . 1 . 2]" 1
672 1 80 GLU QB 1 81 GLY H 5.500 . 5.500 3.904 3.728 4.072 . 0 0 "[ . 1 . 2]" 1
673 1 81 GLY H 1 82 TRP HD1 5.000 . 5.000 2.905 2.003 3.726 . 0 0 "[ . 1 . 2]" 1
674 1 81 GLY H 1 82 TRP H . . 2.826 2.568 1.791 2.902 0.076 18 0 "[ . 1 . 2]" 1
675 1 68 LEU MD1 1 82 TRP HA 5.000 . 5.000 2.653 2.364 3.067 . 0 0 "[ . 1 . 2]" 1
676 1 71 PRO QD 1 82 TRP HA 5.000 . 5.000 2.318 2.041 2.577 . 0 0 "[ . 1 . 2]" 1
677 1 70 ASP HA 1 82 TRP H 5.000 . 5.000 3.099 2.494 4.151 . 0 0 "[ . 1 . 2]" 1
678 1 72 THR MG 1 82 TRP H 5.000 . 5.000 3.550 2.715 4.003 . 0 0 "[ . 1 . 2]" 1
679 1 81 GLY QA 1 82 TRP H 5.000 . 5.000 2.490 2.283 2.926 . 0 0 "[ . 1 . 2]" 1
680 1 82 TRP H 1 83 GLU H 5.000 . 5.000 3.992 3.712 4.650 . 0 0 "[ . 1 . 2]" 1
681 1 82 TRP H 1 82 TRP HA 3.136 . 3.136 2.451 2.341 2.751 . 0 0 "[ . 1 . 2]" 1
682 1 82 TRP H 1 82 TRP HD1 4.500 . 4.500 2.180 1.811 3.884 . 0 0 "[ . 1 . 2]" 1
683 1 82 TRP H 1 82 TRP HE1 5.000 . 5.000 4.013 3.401 4.956 . 0 0 "[ . 1 . 2]" 1
684 1 68 LEU HA 1 83 GLU H 5.000 . 5.000 4.534 4.326 4.682 . 0 0 "[ . 1 . 2]" 1
685 1 68 LEU MD1 1 83 GLU H 5.000 . 5.000 2.456 2.098 2.662 . 0 0 "[ . 1 . 2]" 1
686 1 69 HIS HA 1 83 GLU H 5.000 . 5.000 5.011 4.896 5.054 0.054 2 0 "[ . 1 . 2]" 1
687 1 69 HIS HE1 1 83 GLU H 5.000 . 5.000 5.033 5.008 5.071 0.071 17 0 "[ . 1 . 2]" 1
688 1 70 ASP H 1 83 GLU H 5.000 . 5.000 5.051 4.955 5.116 0.116 9 0 "[ . 1 . 2]" 1
689 1 71 PRO QB 1 83 GLU H 5.000 . 5.000 4.579 4.435 4.697 . 0 0 "[ . 1 . 2]" 1
690 1 83 GLU HA 1 90 MET QG 5.000 . 5.000 3.884 2.357 4.509 . 0 0 "[ . 1 . 2]" 1
691 1 82 TRP HA 1 83 GLU H 2.784 . 2.784 2.257 2.212 2.337 . 0 0 "[ . 1 . 2]" 1
692 1 82 TRP QB 1 83 GLU H 5.000 . 5.000 3.590 3.156 3.770 . 0 0 "[ . 1 . 2]" 1
693 1 68 LEU MD1 1 84 TRP H 5.000 . 5.000 3.695 2.643 4.062 . 0 0 "[ . 1 . 2]" 1
694 1 84 TRP H 1 86 SER H 5.200 . 5.200 5.000 4.968 5.075 . 0 0 "[ . 1 . 2]" 1
695 1 83 GLU HA 1 84 TRP H 2.584 . 2.584 2.264 2.200 2.332 . 0 0 "[ . 1 . 2]" 1
696 1 83 GLU QB 1 84 TRP H 5.000 . 5.000 3.491 2.843 3.741 . 0 0 "[ . 1 . 2]" 1
697 1 83 GLU H 1 84 TRP H 4.500 . 4.500 4.418 4.273 4.502 0.002 3 0 "[ . 1 . 2]" 1
698 1 84 TRP H 1 85 SER H 5.000 . 5.000 4.596 4.504 4.694 . 0 0 "[ . 1 . 2]" 1
699 1 84 TRP H 1 84 TRP HA 3.000 . 3.000 2.893 2.850 2.913 . 0 0 "[ . 1 . 2]" 1
700 1 84 TRP H 1 84 TRP HD1 5.000 . 5.000 1.899 1.747 2.079 0.053 14 0 "[ . 1 . 2]" 1
701 1 67 GLY QA 1 85 SER H 4.000 . 4.000 3.054 2.995 3.106 . 0 0 "[ . 1 . 2]" 1
702 1 68 LEU HA 1 85 SER H 4.000 . 4.000 3.190 2.980 3.547 . 0 0 "[ . 1 . 2]" 1
703 1 68 LEU MD1 1 85 SER H 5.500 . 5.500 4.347 4.165 4.452 . 0 0 "[ . 1 . 2]" 1
704 1 84 TRP HA 1 85 SER H 3.000 . 3.000 2.253 2.190 2.390 . 0 0 "[ . 1 . 2]" 1
705 1 84 TRP QB 1 85 SER H 5.000 . 5.000 3.047 2.722 3.316 . 0 0 "[ . 1 . 2]" 1
706 1 85 SER H 1 86 SER H 3.000 . 3.000 2.450 2.346 2.664 . 0 0 "[ . 1 . 2]" 1
707 1 85 SER H 1 85 SER HA 2.866 . 2.866 2.937 2.911 2.950 0.084 5 0 "[ . 1 . 2]" 1
708 1 40 SER QB 1 86 SER H 5.000 . 5.000 4.028 3.774 4.542 . 0 0 "[ . 1 . 2]" 1
709 1 37 ASN QB 1 86 SER H 5.000 . 5.000 4.360 4.268 4.455 . 0 0 "[ . 1 . 2]" 1
710 1 84 TRP HA 1 86 SER H 3.875 . 3.875 3.612 3.375 3.901 0.026 15 0 "[ . 1 . 2]" 1
711 1 84 TRP QB 1 86 SER H 5.000 . 5.000 2.525 2.453 2.636 . 0 0 "[ . 1 . 2]" 1
712 1 86 SER H 1 88 ASP H 3.894 . 3.894 3.888 3.708 3.967 0.073 8 0 "[ . 1 . 2]" 1
713 1 85 SER HA 1 86 SER H 3.600 . 3.600 3.255 3.241 3.273 . 0 0 "[ . 1 . 2]" 1
714 1 86 SER H 1 87 SER HA 5.000 . 5.000 4.510 4.351 4.623 . 0 0 "[ . 1 . 2]" 1
715 1 86 SER H 1 87 SER H 3.000 . 3.000 1.880 1.772 1.947 0.028 15 0 "[ . 1 . 2]" 1
716 1 86 SER H 1 86 SER HA 2.943 . 2.943 2.959 2.921 2.982 0.039 3 0 "[ . 1 . 2]" 1
717 1 84 TRP HA 1 87 SER H 5.000 . 5.000 4.223 4.022 4.435 . 0 0 "[ . 1 . 2]" 1
718 1 84 TRP QB 1 87 SER H 5.000 . 5.000 1.836 1.662 2.072 0.138 16 0 "[ . 1 . 2]" 1
719 1 84 TRP H 1 87 SER H 4.309 . 4.309 4.495 4.407 4.562 0.253 6 0 "[ . 1 . 2]" 1
720 1 85 SER HA 1 87 SER H 4.000 . 4.000 4.195 4.121 4.350 0.350 4 0 "[ . 1 . 2]" 1
721 1 85 SER H 1 87 SER H 4.312 . 4.312 3.926 3.709 4.062 . 0 0 "[ . 1 . 2]" 1
722 1 87 SER H 1 88 ASP H . . 2.807 2.251 2.165 2.333 . 0 0 "[ . 1 . 2]" 1
723 1 42 LEU MD1 1 88 ASP QB 5.000 . 5.000 2.372 2.149 2.760 . 0 0 "[ . 1 . 2]" 1
724 1 84 TRP HD1 1 88 ASP QB 5.000 . 5.000 4.006 3.817 4.450 . 0 0 "[ . 1 . 2]" 1
725 1 84 TRP QB 1 88 ASP H 5.000 . 5.000 2.343 1.763 3.237 0.037 3 0 "[ . 1 . 2]" 1
726 1 84 TRP HD1 1 88 ASP H 5.500 . 5.500 2.883 2.315 4.051 . 0 0 "[ . 1 . 2]" 1
727 1 84 TRP H 1 88 ASP H 4.800 . 4.800 3.871 3.368 4.902 0.102 20 0 "[ . 1 . 2]" 1
728 1 87 SER HA 1 88 ASP H 3.200 . 3.200 3.491 3.194 3.593 0.393 13 0 "[ . 1 . 2]" 1
729 1 88 ASP H 1 88 ASP HA 3.000 . 3.000 2.613 2.371 2.701 . 0 0 "[ . 1 . 2]" 1
730 1 42 LEU MD1 1 89 VAL H 5.500 . 5.500 3.765 3.311 4.443 . 0 0 "[ . 1 . 2]" 1
731 1 88 ASP HA 1 89 VAL H 3.500 . 3.500 3.264 2.884 3.449 . 0 0 "[ . 1 . 2]" 1
732 1 89 VAL H 1 89 VAL HB 3.500 . 3.500 2.957 2.542 3.558 0.058 16 0 "[ . 1 . 2]" 1
733 1 42 LEU MD2 1 90 MET HA 5.000 . 5.000 3.286 3.001 3.445 . 0 0 "[ . 1 . 2]" 1
734 1 84 TRP HD1 1 90 MET H 5.500 . 5.500 4.344 4.108 4.663 . 0 0 "[ . 1 . 2]" 1
735 1 89 VAL HA 1 90 MET H 2.500 . 2.500 2.471 2.330 2.703 0.203 5 0 "[ . 1 . 2]" 1
736 1 89 VAL MG1 1 90 MET H 5.000 . 5.000 3.039 1.634 3.654 0.166 12 0 "[ . 1 . 2]" 1
737 1 42 LEU HA 1 91 ASN H 4.000 . 4.000 4.068 4.026 4.105 0.105 10 0 "[ . 1 . 2]" 1
738 1 42 LEU QB 1 91 ASN H 5.000 . 5.000 4.280 4.138 4.357 . 0 0 "[ . 1 . 2]" 1
739 1 42 LEU MD2 1 91 ASN H 5.000 . 5.000 1.997 1.831 2.074 . 0 0 "[ . 1 . 2]" 1
740 1 84 TRP HE1 1 91 ASN H 4.000 . 4.000 2.302 2.136 2.710 . 0 0 "[ . 1 . 2]" 1
741 1 90 MET HA 1 91 ASN H 2.336 . 2.336 2.350 2.273 2.383 0.047 15 0 "[ . 1 . 2]" 1
742 1 90 MET HG2 1 91 ASN H 5.000 . 5.000 4.197 3.616 4.987 . 0 0 "[ . 1 . 2]" 1
743 1 90 MET H 1 91 ASN H 4.500 2.800 4.500 4.163 4.068 4.302 . 0 0 "[ . 1 . 2]" 1
744 1 91 ASN H 1 92 TYR QB 5.000 . 5.000 3.978 3.881 4.233 . 0 0 "[ . 1 . 2]" 1
745 1 91 ASN H 1 92 TYR H 2.405 . 2.405 2.147 2.002 2.316 . 0 0 "[ . 1 . 2]" 1
746 1 91 ASN H 1 91 ASN QD 5.500 . 5.500 4.441 3.805 4.867 . 0 0 "[ . 1 . 2]" 1
747 1 43 SER HA 1 92 TYR HD1 4.000 . 4.000 3.892 3.546 4.016 0.016 9 0 "[ . 1 . 2]" 1
748 1 92 TYR HA 1 92 TYR HD1 4.000 . 4.000 2.221 2.192 2.265 . 0 0 "[ . 1 . 2]" 1
749 1 41 VAL QG 1 92 TYR HD2 5.000 . 5.000 3.390 2.743 3.693 . 0 0 "[ . 1 . 2]" 1
750 1 42 LEU HA 1 92 TYR H 4.000 . 4.000 3.643 3.394 3.997 . 0 0 "[ . 1 . 2]" 1
751 1 42 LEU MD2 1 92 TYR H 5.000 . 5.000 2.745 2.563 2.988 . 0 0 "[ . 1 . 2]" 1
752 1 84 TRP HE1 1 92 TYR H 4.200 . 4.200 3.549 2.809 3.838 . 0 0 "[ . 1 . 2]" 1
753 1 90 MET HA 1 92 TYR H 3.500 . 3.500 3.092 2.952 3.230 . 0 0 "[ . 1 . 2]" 1
754 1 90 MET QG 1 92 TYR H 5.500 . 5.500 3.658 2.537 4.894 . 0 0 "[ . 1 . 2]" 1
755 1 91 ASN QB 1 92 TYR H 5.000 . 5.000 3.308 3.125 3.514 . 0 0 "[ . 1 . 2]" 1
756 1 92 TYR H 1 93 PHE H 4.500 . 4.500 4.429 4.139 4.495 . 0 0 "[ . 1 . 2]" 1
757 1 92 TYR HA 1 93 PHE H 3.000 . 3.000 2.365 2.196 2.415 . 0 0 "[ . 1 . 2]" 1
758 1 93 PHE H 1 93 PHE HA 3.000 . 3.000 2.990 2.985 2.992 . 0 0 "[ . 1 . 2]" 1
759 1 93 PHE H 1 94 ALA H 5.000 . 5.000 4.434 4.390 4.566 . 0 0 "[ . 1 . 2]" 1
760 1 93 PHE QB 1 94 ALA HA 5.000 . 5.000 4.072 3.929 4.239 . 0 0 "[ . 1 . 2]" 1
761 1 93 PHE QB 1 94 ALA H 4.500 . 4.500 2.922 2.771 3.035 . 0 0 "[ . 1 . 2]" 1
762 1 93 PHE HA 1 94 ALA H 2.500 . 2.500 2.262 2.225 2.299 . 0 0 "[ . 1 . 2]" 1
763 1 94 ALA H 1 95 TRP QB 5.500 . 5.500 3.939 3.761 4.112 . 0 0 "[ . 1 . 2]" 1
764 1 94 ALA H 1 95 TRP H 3.000 . 3.000 1.794 1.783 1.814 0.017 18 0 "[ . 1 . 2]" 1
765 1 94 ALA H 1 120 TRP HH2 3.500 . 3.500 3.179 2.934 3.515 0.015 15 0 "[ . 1 . 2]" 1
766 1 93 PHE QB 1 95 TRP HD1 5.000 . 5.000 3.773 3.346 4.245 . 0 0 "[ . 1 . 2]" 1
767 1 95 TRP HA 1 120 TRP QB 5.000 . 5.000 2.347 2.284 2.537 . 0 0 "[ . 1 . 2]" 1
768 1 95 TRP H 1 120 TRP QB 5.500 . 5.500 4.607 4.581 4.627 . 0 0 "[ . 1 . 2]" 1
769 1 94 ALA MB 1 95 TRP H 5.500 . 5.500 3.590 3.572 3.607 . 0 0 "[ . 1 . 2]" 1
770 1 95 TRP H 1 96 GLU H 5.000 . 5.000 4.673 4.657 4.690 . 0 0 "[ . 1 . 2]" 1
771 1 96 GLU HA 1 119 ARG QB 5.000 . 5.000 3.099 2.329 4.140 . 0 0 "[ . 1 . 2]" 1
772 1 96 GLU HA 1 119 ARG QD 5.000 . 5.000 2.920 2.199 4.522 . 0 0 "[ . 1 . 2]" 1
773 1 96 GLU H 1 121 LYS HA 4.000 . 4.000 3.941 3.782 4.064 0.064 14 0 "[ . 1 . 2]" 1
774 1 96 GLU H 1 120 TRP QB 5.000 . 5.000 3.588 3.479 3.968 . 0 0 "[ . 1 . 2]" 1
775 1 96 GLU H 1 120 TRP H 3.200 . 3.200 2.926 2.549 3.190 . 0 0 "[ . 1 . 2]" 1
776 1 96 GLU H 1 119 ARG QB 5.000 . 5.000 3.513 3.119 4.408 . 0 0 "[ . 1 . 2]" 1
777 1 95 TRP HA 1 96 GLU H 2.400 . 2.400 2.352 2.290 2.385 . 0 0 "[ . 1 . 2]" 1
778 1 95 TRP QB 1 96 GLU H 5.000 . 5.000 2.702 2.627 2.865 . 0 0 "[ . 1 . 2]" 1
779 1 96 GLU H 1 97 ARG H . . 2.800 2.585 2.171 2.778 . 0 0 "[ . 1 . 2]" 1
780 1 97 ARG HA 1 97 ARG QD 5.000 . 5.000 3.890 2.293 4.163 . 0 0 "[ . 1 . 2]" 1
781 1 97 ARG HA 1 98 ASN HA 5.000 . 5.000 4.385 4.369 4.430 . 0 0 "[ . 1 . 2]" 1
782 1 96 GLU QB 1 97 ARG H 4.500 2.800 4.500 2.439 2.243 2.900 0.557 20 7 "[*- .* *1 ** . +]" 1
783 1 95 TRP QB 1 97 ARG H 5.000 . 5.000 2.933 2.602 3.148 . 0 0 "[ . 1 . 2]" 1
784 1 96 GLU HA 1 97 ARG H 4.000 . 4.000 3.564 3.483 3.586 . 0 0 "[ . 1 . 2]" 1
785 1 97 ARG H 1 97 ARG HA 3.000 . 3.000 2.970 2.948 2.995 . 0 0 "[ . 1 . 2]" 1
786 1 98 ASN HA 1 99 PRO QG 5.000 . 5.000 3.917 3.881 3.935 . 0 0 "[ . 1 . 2]" 1
787 1 98 ASN HA 1 99 PRO QD 5.000 . 5.000 1.986 1.955 2.004 . 0 0 "[ . 1 . 2]" 1
788 1 97 ARG HA 1 98 ASN H 2.419 . 2.419 2.332 2.196 2.427 0.008 15 0 "[ . 1 . 2]" 1
789 1 97 ARG QB 1 98 ASN H 5.000 . 5.000 2.976 2.487 3.512 . 0 0 "[ . 1 . 2]" 1
790 1 97 ARG HG2 1 98 ASN H 5.500 . 5.500 3.437 1.997 4.428 . 0 0 "[ . 1 . 2]" 1
791 1 98 ASN H 1 99 PRO HD2 5.500 . 5.500 4.910 4.869 4.970 . 0 0 "[ . 1 . 2]" 1
792 1 98 ASN H 1 98 ASN HA 3.000 . 3.000 2.900 2.822 2.947 . 0 0 "[ . 1 . 2]" 1
793 1 82 TRP HD1 1 99 PRO QG 5.000 . 5.000 3.587 2.456 4.336 . 0 0 "[ . 1 . 2]" 1
794 1 99 PRO HA 1 102 ILE QG 5.000 . 5.000 3.636 2.754 4.281 . 0 0 "[ . 1 . 2]" 1
795 1 99 PRO HA 1 105 PRO HD3 5.000 . 5.000 4.038 2.705 4.957 . 0 0 "[ . 1 . 2]" 1
796 1 99 PRO HA 1 105 PRO QB 5.000 . 5.000 3.509 2.485 4.528 . 0 0 "[ . 1 . 2]" 1
797 1 98 ASN QB 1 100 SER H 5.000 . 5.000 2.608 2.385 3.061 . 0 0 "[ . 1 . 2]" 1
798 1 98 ASN HA 1 100 SER H 4.000 . 4.000 3.879 3.567 4.007 0.007 6 0 "[ . 1 . 2]" 1
799 1 100 SER H 1 102 ILE H 4.500 . 4.500 4.264 3.992 4.510 0.010 6 0 "[ . 1 . 2]" 1
800 1 99 PRO QB 1 100 SER H 5.000 . 5.000 3.248 3.042 3.426 . 0 0 "[ . 1 . 2]" 1
801 1 99 PRO HD2 1 100 SER H 5.000 . 5.000 3.016 2.767 3.138 . 0 0 "[ . 1 . 2]" 1
802 1 99 PRO QG 1 100 SER H 5.000 . 5.000 3.548 3.329 3.810 . 0 0 "[ . 1 . 2]" 1
803 1 100 SER H 1 101 THR MG 5.500 . 5.500 3.904 3.554 4.234 . 0 0 "[ . 1 . 2]" 1
804 1 100 SER H 1 101 THR H . . 2.920 2.582 2.491 2.735 . 0 0 "[ . 1 . 2]" 1
805 1 100 SER H 1 100 SER HA 3.000 . 3.000 2.892 2.853 2.912 . 0 0 "[ . 1 . 2]" 1
806 1 100 SER HA 1 101 THR H 4.000 . 4.000 3.391 3.319 3.502 . 0 0 "[ . 1 . 2]" 1
807 1 99 PRO HA 1 101 THR H 4.000 . 4.000 3.556 3.307 3.897 . 0 0 "[ . 1 . 2]" 1
808 1 98 ASN HA 1 101 THR H 5.000 . 5.000 4.907 4.676 5.012 0.012 13 0 "[ . 1 . 2]" 1
809 1 98 ASN QB 1 101 THR H 5.000 . 5.000 3.498 2.845 4.135 . 0 0 "[ . 1 . 2]" 1
810 1 101 THR H 1 102 ILE HB 5.000 . 5.000 4.298 3.910 4.838 . 0 0 "[ . 1 . 2]" 1
811 1 101 THR H 1 102 ILE QG 5.500 . 5.500 3.483 2.826 3.913 . 0 0 "[ . 1 . 2]" 1
812 1 101 THR H 1 102 ILE H . . 2.738 2.375 1.944 2.662 . 0 0 "[ . 1 . 2]" 1
813 1 101 THR H 1 101 THR HA 3.000 . 3.000 2.977 2.949 2.999 . 0 0 "[ . 1 . 2]" 1
814 1 97 ARG QB 1 102 ILE MD 5.000 . 5.000 2.674 2.044 3.593 . 0 0 "[ . 1 . 2]" 1
815 1 102 ILE MD 1 105 PRO QB 5.000 . 5.000 2.929 2.510 3.292 . 0 0 "[ . 1 . 2]" 1
816 1 97 ARG HD2 1 102 ILE MD 5.000 . 5.000 3.652 2.657 4.040 . 0 0 "[ . 1 . 2]" 1
817 1 99 PRO HA 1 102 ILE MD 5.000 . 5.000 2.775 2.240 3.907 . 0 0 "[ . 1 . 2]" 1
818 1 99 PRO HA 1 102 ILE H 3.600 . 3.600 3.526 3.072 3.616 0.016 17 0 "[ . 1 . 2]" 1
819 1 101 THR HA 1 102 ILE H 3.500 . 3.500 3.210 2.903 3.522 0.022 1 0 "[ . 1 . 2]" 1
820 1 102 ILE H 1 103 SER H 5.000 . 5.000 4.480 4.353 4.577 . 0 0 "[ . 1 . 2]" 1
821 1 102 ILE H 1 102 ILE HB 2.677 . 2.677 2.649 2.474 2.713 0.036 7 0 "[ . 1 . 2]" 1
822 1 102 ILE HA 1 103 SER H 3.000 . 3.000 2.309 2.213 2.360 . 0 0 "[ . 1 . 2]" 1
823 1 102 ILE HB 1 103 SER H 4.500 . 4.500 3.901 3.607 4.189 . 0 0 "[ . 1 . 2]" 1
824 1 102 ILE QG 1 103 SER H 5.500 . 5.500 4.014 3.863 4.202 . 0 0 "[ . 1 . 2]" 1
825 1 102 ILE MG 1 103 SER H 5.000 . 5.000 2.169 1.984 2.594 . 0 0 "[ . 1 . 2]" 1
826 1 103 SER H 1 103 SER HA 3.000 . 3.000 2.866 2.844 2.911 . 0 0 "[ . 1 . 2]" 1
827 1 103 SER HA 1 104 SER H 3.000 . 3.000 2.377 2.198 2.581 . 0 0 "[ . 1 . 2]" 1
828 1 104 SER H 1 104 SER HA 3.000 . 3.000 2.395 2.347 2.624 . 0 0 "[ . 1 . 2]" 1
829 1 104 SER H 1 105 PRO QD 5.000 . 5.000 2.776 2.601 3.383 . 0 0 "[ . 1 . 2]" 1
830 1 102 ILE HB 1 105 PRO HA 4.000 . 4.000 4.121 3.538 4.535 0.535 9 6 "[ - * +1 *.* *2]" 1
831 1 102 ILE MG 1 105 PRO HA 5.000 . 5.000 2.986 2.482 3.608 . 0 0 "[ . 1 . 2]" 1
832 1 106 GLY H 1 123 TYR HA 5.000 . 5.000 4.567 4.159 4.925 . 0 0 "[ . 1 . 2]" 1
833 1 106 GLY H 1 122 ASP HA 5.000 . 5.000 4.734 4.273 5.012 0.012 5 0 "[ . 1 . 2]" 1
834 1 106 GLY H 1 122 ASP QB 5.000 . 5.000 2.329 1.786 2.762 0.014 13 0 "[ . 1 . 2]" 1
835 1 105 PRO HA 1 106 GLY H 3.035 . 3.035 2.529 2.223 2.871 . 0 0 "[ . 1 . 2]" 1
836 1 106 GLY H 1 107 HIS H 5.000 . 5.000 4.459 4.036 4.709 . 0 0 "[ . 1 . 2]" 1
837 1 107 HIS H 1 124 ASN HA 3.800 . 3.800 3.792 3.588 3.834 0.034 2 0 "[ . 1 . 2]" 1
838 1 107 HIS H 1 125 CYS H 3.800 . 3.800 3.281 2.992 3.817 0.017 6 0 "[ . 1 . 2]" 1
839 1 107 HIS H 1 123 TYR H 5.000 . 5.000 4.396 3.710 4.879 . 0 0 "[ . 1 . 2]" 1
840 1 106 GLY QA 1 107 HIS H 5.000 . 5.000 2.258 2.173 2.331 . 0 0 "[ . 1 . 2]" 1
841 1 107 HIS H 1 108 CYS H 3.065 . 3.065 2.474 1.783 3.067 0.017 15 0 "[ . 1 . 2]" 1
842 1 108 CYS H 1 125 CYS H 5.000 . 5.000 4.418 3.923 5.020 0.020 6 0 "[ . 1 . 2]" 1
843 1 108 CYS H 1 123 TYR H . . 3.000 2.954 2.779 3.016 0.016 18 0 "[ . 1 . 2]" 1
844 1 69 HIS HA 1 108 CYS HA 2.800 . 2.800 2.025 1.940 2.126 . 0 0 "[ . 1 . 2]" 1
845 1 69 HIS QB 1 108 CYS HA 5.000 . 5.000 3.049 2.542 3.307 . 0 0 "[ . 1 . 2]" 1
846 1 106 GLY QA 1 108 CYS H 5.000 . 5.000 3.246 3.004 3.524 . 0 0 "[ . 1 . 2]" 1
847 1 107 HIS HA 1 108 CYS H 3.500 . 3.500 2.994 2.782 3.290 . 0 0 "[ . 1 . 2]" 1
848 1 108 CYS H 1 108 CYS HA 3.000 . 3.000 2.957 2.945 2.994 . 0 0 "[ . 1 . 2]" 1
849 1 23 TRP HE1 1 109 ALA H 5.000 . 5.000 3.875 3.390 4.108 . 0 0 "[ . 1 . 2]" 1
850 1 66 ILE H 1 109 ALA H 5.000 . 5.000 4.720 4.485 4.904 . 0 0 "[ . 1 . 2]" 1
851 1 68 LEU QB 1 109 ALA H 5.000 . 5.000 3.207 2.714 4.217 . 0 0 "[ . 1 . 2]" 1
852 1 69 HIS QB 1 109 ALA H 5.000 . 5.000 4.370 3.929 4.521 . 0 0 "[ . 1 . 2]" 1
853 1 109 ALA H 1 123 TYR H 5.000 . 5.000 5.017 4.890 5.038 0.038 7 0 "[ . 1 . 2]" 1
854 1 109 ALA HA 1 122 ASP HA 2.800 . 2.800 2.531 2.333 2.817 0.017 9 0 "[ . 1 . 2]" 1
855 1 108 CYS HA 1 109 ALA H 2.760 . 2.760 2.331 2.245 2.490 . 0 0 "[ . 1 . 2]" 1
856 1 108 CYS QB 1 109 ALA H 5.000 . 5.000 2.819 2.509 3.055 . 0 0 "[ . 1 . 2]" 1
857 1 108 CYS H 1 109 ALA H 5.000 . 5.000 4.382 4.290 4.477 . 0 0 "[ . 1 . 2]" 1
858 1 109 ALA H 1 110 SER H . . 4.800 4.509 4.397 4.552 . 0 0 "[ . 1 . 2]" 1
859 1 66 ILE MD 1 110 SER H 5.000 . 5.000 4.048 3.997 4.077 . 0 0 "[ . 1 . 2]" 1
860 1 110 SER H 1 123 TYR QB 5.000 . 5.000 4.122 4.076 4.291 . 0 0 "[ . 1 . 2]" 1
861 1 110 SER H 1 123 TYR H 5.000 . 5.000 4.946 4.848 5.007 0.007 18 0 "[ . 1 . 2]" 1
862 1 110 SER H 1 122 ASP HA 5.000 . 5.000 3.951 3.784 4.174 . 0 0 "[ . 1 . 2]" 1
863 1 110 SER H 1 121 LYS QB 5.000 . 5.000 3.796 3.680 3.939 . 0 0 "[ . 1 . 2]" 1
864 1 110 SER H 1 121 LYS H 3.800 . 3.800 2.467 2.152 2.634 . 0 0 "[ . 1 . 2]" 1
865 1 110 SER H 1 120 TRP QB 5.000 . 5.000 3.468 3.344 3.634 . 0 0 "[ . 1 . 2]" 1
866 1 109 ALA HA 1 110 SER H 2.814 . 2.814 2.237 2.194 2.283 . 0 0 "[ . 1 . 2]" 1
867 1 109 ALA MB 1 110 SER H 5.000 . 5.000 2.840 2.760 2.958 . 0 0 "[ . 1 . 2]" 1
868 1 110 SER H 1 110 SER HA 3.000 . 3.000 2.975 2.967 2.981 . 0 0 "[ . 1 . 2]" 1
869 1 63 TYR HA 1 111 LEU H 5.000 . 5.000 4.428 4.374 4.498 . 0 0 "[ . 1 . 2]" 1
870 1 63 TYR QB 1 111 LEU H 5.000 . 5.000 4.120 4.091 4.178 . 0 0 "[ . 1 . 2]" 1
871 1 64 VAL HB 1 111 LEU H 3.800 . 3.800 3.032 2.691 3.256 . 0 0 "[ . 1 . 2]" 1
872 1 64 VAL MG1 1 111 LEU H 5.000 . 5.000 4.020 3.935 4.116 . 0 0 "[ . 1 . 2]" 1
873 1 54 VAL QG 1 111 LEU MD1 5.000 . 5.000 2.210 2.161 2.314 . 0 0 "[ . 1 . 2]" 1
874 1 50 VAL MG1 1 111 LEU MD1 5.000 . 5.000 2.557 2.318 2.723 . 0 0 "[ . 1 . 2]" 1
875 1 111 LEU HA 1 120 TRP HD1 5.000 . 5.000 3.000 2.758 3.207 . 0 0 "[ . 1 . 2]" 1
876 1 111 LEU HA 1 120 TRP HA 2.800 . 2.800 2.751 2.612 2.812 0.012 17 0 "[ . 1 . 2]" 1
877 1 111 LEU HA 1 117 PHE HA 5.000 . 5.000 3.857 3.720 4.077 . 0 0 "[ . 1 . 2]" 1
878 1 110 SER HA 1 111 LEU H 2.500 . 2.500 2.463 2.454 2.476 . 0 0 "[ . 1 . 2]" 1
879 1 110 SER QB 1 111 LEU H 5.000 . 5.000 2.613 2.491 2.707 . 0 0 "[ . 1 . 2]" 1
880 1 111 LEU H 1 111 LEU MD1 5.500 . 5.500 2.760 2.688 2.852 . 0 0 "[ . 1 . 2]" 1
881 1 111 LEU H 1 111 LEU MD2 5.500 . 5.500 4.101 4.083 4.146 . 0 0 "[ . 1 . 2]" 1
882 1 63 TYR QD 1 112 SER HA 5.000 . 5.000 3.020 2.977 3.056 . 0 0 "[ . 1 . 2]" 1
883 1 63 TYR QE 1 112 SER HA 5.000 . 5.000 3.171 2.986 3.230 . 0 0 "[ . 1 . 2]" 1
884 1 112 SER H 1 121 LYS H 4.577 . 4.577 4.603 4.462 4.639 0.062 5 0 "[ . 1 . 2]" 1
885 1 112 SER H 1 120 TRP HA 4.000 . 4.000 3.948 3.477 4.029 0.029 12 0 "[ . 1 . 2]" 1
886 1 111 LEU HA 1 112 SER H 2.712 . 2.712 2.299 2.208 2.345 . 0 0 "[ . 1 . 2]" 1
887 1 111 LEU QB 1 112 SER H 5.500 . 5.500 2.818 2.694 3.180 . 0 0 "[ . 1 . 2]" 1
888 1 111 LEU H 1 112 SER H 5.000 . 5.000 4.612 4.539 4.629 . 0 0 "[ . 1 . 2]" 1
889 1 112 SER H 1 113 ARG H 5.000 . 5.000 4.319 4.237 4.466 . 0 0 "[ . 1 . 2]" 1
890 1 112 SER H 1 117 PHE HA 3.200 . 3.200 2.792 2.616 3.223 0.023 17 0 "[ . 1 . 2]" 1
891 1 62 SER HA 1 113 ARG H 3.800 . 3.800 3.868 3.788 3.898 0.098 10 0 "[ . 1 . 2]" 1
892 1 62 SER QB 1 113 ARG H 5.000 . 5.000 3.211 2.920 4.436 . 0 0 "[ . 1 . 2]" 1
893 1 63 TYR HA 1 113 ARG H 5.000 . 5.000 2.942 2.879 3.063 . 0 0 "[ . 1 . 2]" 1
894 1 63 TYR QB 1 113 ARG H 5.000 . 5.000 4.601 4.580 4.637 . 0 0 "[ . 1 . 2]" 1
895 1 63 TYR HD2 1 113 ARG H 5.000 . 5.000 5.006 4.824 5.040 0.040 7 0 "[ . 1 . 2]" 1
896 1 64 VAL H 1 113 ARG H 5.500 . 5.500 5.107 5.026 5.223 . 0 0 "[ . 1 . 2]" 1
897 1 112 SER HA 1 113 ARG H 2.924 . 2.924 2.201 2.172 2.217 . 0 0 "[ . 1 . 2]" 1
898 1 112 SER QB 1 113 ARG H 5.000 . 5.000 3.547 3.383 3.897 . 0 0 "[ . 1 . 2]" 1
899 1 113 ARG H 1 114 SER H 3.200 . 3.200 2.748 2.668 2.826 . 0 0 "[ . 1 . 2]" 1
900 1 114 SER H 1 117 PHE H 5.000 . 5.000 4.660 4.433 4.792 . 0 0 "[ . 1 . 2]" 1
901 1 112 SER HA 1 114 SER H 4.000 . 4.000 3.718 3.493 3.879 . 0 0 "[ . 1 . 2]" 1
902 1 113 ARG QB 1 114 SER H 5.000 . 5.000 2.789 2.609 3.066 . 0 0 "[ . 1 . 2]" 1
903 1 114 SER H 1 115 THR MG 5.500 . 5.500 4.152 3.850 4.383 . 0 0 "[ . 1 . 2]" 1
904 1 114 SER H 1 115 THR H 2.921 . 2.921 2.731 2.651 2.798 . 0 0 "[ . 1 . 2]" 1
905 1 114 SER H 1 114 SER HA 3.000 . 3.000 2.830 2.816 2.867 . 0 0 "[ . 1 . 2]" 1
906 1 96 GLU QG 1 115 THR MG 5.000 . 5.000 3.143 2.453 3.523 . 0 0 "[ . 1 . 2]" 1
907 1 114 SER HA 1 115 THR H 4.000 . 4.000 3.478 3.389 3.555 . 0 0 "[ . 1 . 2]" 1
908 1 114 SER QB 1 115 THR H 5.000 . 5.000 3.157 2.549 3.713 . 0 0 "[ . 1 . 2]" 1
909 1 115 THR H 1 116 ALA H . . 2.731 2.656 2.533 2.760 0.029 1 0 "[ . 1 . 2]" 1
910 1 115 THR H 1 115 THR HA 3.000 . 3.000 2.989 2.974 3.000 . 2 0 "[ . 1 . 2]" 1
911 1 115 THR H 1 115 THR MG 4.505 . 4.505 2.502 2.251 2.845 . 0 0 "[ . 1 . 2]" 1
912 1 116 ALA H 1 116 ALA HA 3.000 . 3.000 2.345 2.342 2.347 . 0 0 "[ . 1 . 2]" 1
913 1 114 SER HA 1 116 ALA H 4.000 . 4.000 3.800 3.620 3.972 . 0 0 "[ . 1 . 2]" 1
914 1 114 SER H 1 116 ALA H 4.500 . 4.500 4.347 4.162 4.504 0.004 7 0 "[ . 1 . 2]" 1
915 1 113 ARG HA 1 116 ALA H 3.800 . 3.800 3.577 3.316 3.836 0.036 17 0 "[ . 1 . 2]" 1
916 1 115 THR MG 1 116 ALA H 5.500 . 5.500 4.261 4.206 4.332 . 0 0 "[ . 1 . 2]" 1
917 1 115 THR HA 1 116 ALA H 3.200 . 3.200 2.994 2.971 3.020 . 0 0 "[ . 1 . 2]" 1
918 1 116 ALA H 1 117 PHE H 2.731 . 2.731 2.654 2.592 2.681 . 0 0 "[ . 1 . 2]" 1
919 1 116 ALA HA 1 117 PHE H 4.000 . 4.000 2.995 2.936 3.008 . 0 0 "[ . 1 . 2]" 1
920 1 113 ARG HA 1 117 PHE H 3.000 . 3.000 2.716 2.435 2.870 . 0 0 "[ . 1 . 2]" 1
921 1 113 ARG H 1 117 PHE H 5.000 . 5.000 4.587 4.477 4.679 . 0 0 "[ . 1 . 2]" 1
922 1 115 THR HA 1 117 PHE H 5.000 . 5.000 4.452 4.394 4.589 . 0 0 "[ . 1 . 2]" 1
923 1 115 THR H 1 117 PHE H 3.329 . 3.329 3.000 2.873 3.148 . 0 0 "[ . 1 . 2]" 1
924 1 117 PHE H 1 118 LEU QB 5.500 . 5.500 4.705 4.668 4.743 . 0 0 "[ . 1 . 2]" 1
925 1 117 PHE H 1 118 LEU H . . 3.000 2.690 2.605 2.939 . 0 0 "[ . 1 . 2]" 1
926 1 117 PHE H 1 117 PHE HA 2.617 . 2.617 2.340 2.336 2.353 . 0 0 "[ . 1 . 2]" 1
927 1 117 PHE H 1 119 ARG H . . 4.200 4.059 3.929 4.234 0.034 17 0 "[ . 1 . 2]" 1
928 1 51 SER QB 1 118 LEU HA 5.500 . 5.500 3.270 3.071 3.526 . 0 0 "[ . 1 . 2]" 1
929 1 115 THR HG1 1 118 LEU H 4.000 . 4.000 2.722 1.828 3.834 . 0 0 "[ . 1 . 2]" 1
930 1 117 PHE QB 1 118 LEU H 5.000 . 5.000 3.752 3.671 4.025 . 0 0 "[ . 1 . 2]" 1
931 1 117 PHE HA 1 118 LEU H 3.402 . 3.402 3.016 2.788 3.095 . 0 0 "[ . 1 . 2]" 1
932 1 118 LEU H 1 119 ARG HA 5.000 . 5.000 4.917 4.591 5.018 0.018 19 0 "[ . 1 . 2]" 1
933 1 118 LEU H 1 119 ARG H . . 2.600 2.240 1.836 2.524 . 0 0 "[ . 1 . 2]" 1
934 1 118 LEU H 1 118 LEU HA 3.021 . 3.021 2.984 2.973 2.997 . 0 0 "[ . 1 . 2]" 1
935 1 118 LEU H 1 118 LEU HG 3.600 . 3.600 2.819 2.581 3.495 . 0 0 "[ . 1 . 2]" 1
936 1 115 THR HB 1 119 ARG H 4.000 . 4.000 3.421 2.819 4.020 0.020 14 0 "[ . 1 . 2]" 1
937 1 111 LEU HA 1 119 ARG H 5.000 . 5.000 4.517 4.141 5.005 0.005 3 0 "[ . 1 . 2]" 1
938 1 111 LEU MD2 1 119 ARG H 5.500 . 5.500 3.707 3.119 4.242 . 0 0 "[ . 1 . 2]" 1
939 1 94 ALA MB 1 119 ARG HA 5.000 . 5.000 3.302 3.015 3.636 . 0 0 "[ . 1 . 2]" 1
940 1 117 PHE HA 1 119 ARG H 3.801 . 3.801 3.484 3.209 3.811 0.010 8 0 "[ . 1 . 2]" 1
941 1 118 LEU HA 1 119 ARG H 3.500 . 3.500 3.312 3.086 3.494 . 0 0 "[ . 1 . 2]" 1
942 1 118 LEU QB 1 119 ARG H 5.000 . 5.000 3.278 2.852 3.661 . 0 0 "[ . 1 . 2]" 1
943 1 94 ALA MB 1 120 TRP H 5.500 . 5.500 3.923 3.753 4.053 . 0 0 "[ . 1 . 2]" 1
944 1 95 TRP HA 1 120 TRP H 3.000 . 3.000 2.275 2.118 2.670 . 0 0 "[ . 1 . 2]" 1
945 1 111 LEU MD2 1 120 TRP HA 5.500 . 5.500 4.128 3.991 4.268 . 0 0 "[ . 1 . 2]" 1
946 1 120 TRP H 1 120 TRP HD1 4.000 . 4.000 3.774 3.375 4.009 0.009 18 0 "[ . 1 . 2]" 1
947 1 119 ARG QD 1 120 TRP H 5.000 . 5.000 3.707 2.460 4.528 . 0 0 "[ . 1 . 2]" 1
948 1 119 ARG QB 1 120 TRP H 5.000 . 5.000 2.809 2.321 3.502 . 0 0 "[ . 1 . 2]" 1
949 1 109 ALA MB 1 121 LYS H 5.000 . 5.000 3.765 3.271 3.966 . 0 0 "[ . 1 . 2]" 1
950 1 96 GLU QB 1 121 LYS HA 5.000 . 5.000 3.541 3.077 4.186 . 0 0 "[ . 1 . 2]" 1
951 1 120 TRP HA 1 121 LYS H 2.400 . 2.400 2.229 2.201 2.333 . 0 0 "[ . 1 . 2]" 1
952 1 120 TRP QB 1 121 LYS H 5.000 . 5.000 3.020 2.734 3.136 . 0 0 "[ . 1 . 2]" 1
953 1 120 TRP HD1 1 121 LYS H 5.500 . 5.500 4.422 4.299 4.612 . 0 0 "[ . 1 . 2]" 1
954 1 120 TRP H 1 121 LYS H 5.000 . 5.000 4.526 4.444 4.600 . 0 0 "[ . 1 . 2]" 1
955 1 121 LYS H 1 122 ASP H 4.500 . 4.500 4.477 4.384 4.507 0.007 2 0 "[ . 1 . 2]" 1
956 1 121 LYS HA 1 122 ASP HA 4.200 . 4.200 4.348 4.340 4.355 0.155 14 0 "[ . 1 . 2]" 1
957 1 109 ALA MB 1 122 ASP HA 5.000 . 5.000 3.706 3.466 4.101 . 0 0 "[ . 1 . 2]" 1
958 1 109 ALA HA 1 122 ASP H 5.000 . 5.000 4.648 4.445 4.900 . 0 0 "[ . 1 . 2]" 1
959 1 121 LYS HA 1 122 ASP H 2.684 . 2.684 2.260 2.224 2.294 . 0 0 "[ . 1 . 2]" 1
960 1 121 LYS QB 1 122 ASP H 5.000 . 5.000 3.486 3.182 3.576 . 0 0 "[ . 1 . 2]" 1
961 1 122 ASP H 1 123 TYR H 4.800 . 4.800 4.662 4.640 4.675 . 0 0 "[ . 1 . 2]" 1
962 1 106 GLY QA 1 123 TYR H 5.000 . 5.000 3.351 2.735 3.836 . 0 0 "[ . 1 . 2]" 1
963 1 109 ALA HA 1 123 TYR H 3.800 . 3.800 3.641 3.509 3.838 0.038 5 0 "[ . 1 . 2]" 1
964 1 122 ASP HA 1 123 TYR H 2.500 . 2.500 2.311 2.264 2.346 . 0 0 "[ . 1 . 2]" 1
965 1 122 ASP QB 1 123 TYR H 5.000 . 5.000 2.825 2.727 2.955 . 0 0 "[ . 1 . 2]" 1
966 1 123 TYR H 1 124 ASN HA 5.000 . 5.000 4.892 4.819 4.964 . 0 0 "[ . 1 . 2]" 1
967 1 123 TYR H 1 124 ASN H 4.500 . 4.500 4.392 4.358 4.415 . 0 0 "[ . 1 . 2]" 1
968 1 106 GLY QA 1 124 ASN HA 5.000 . 5.000 3.180 2.916 3.520 . 0 0 "[ . 1 . 2]" 1
969 1 106 GLY QA 1 124 ASN H 5.000 . 5.000 4.249 3.935 4.392 . 0 0 "[ . 1 . 2]" 1
970 1 123 TYR QB 1 124 ASN H 5.000 . 5.000 2.873 2.552 3.164 . 0 0 "[ . 1 . 2]" 1
971 1 124 ASN H 1 125 CYS H 4.500 . 4.500 4.492 4.463 4.539 0.039 6 0 "[ . 1 . 2]" 1
972 1 124 ASN H 1 124 ASN HA 3.112 . 3.112 2.837 2.812 2.898 . 0 0 "[ . 1 . 2]" 1
973 1 124 ASN H 1 124 ASN QD 5.500 . 5.500 3.234 1.255 4.720 0.545 8 1 "[ . + 1 . 2]" 1
974 1 23 TRP H 1 125 CYS HA 3.800 . 3.800 3.602 3.520 3.809 0.009 20 0 "[ . 1 . 2]" 1
975 1 23 TRP QB 1 125 CYS HA 5.000 . 5.000 2.269 2.126 2.472 . 0 0 "[ . 1 . 2]" 1
976 1 108 CYS QB 1 125 CYS HA 5.000 . 5.000 2.401 2.278 2.805 . 0 0 "[ . 1 . 2]" 1
977 1 124 ASN QB 1 125 CYS H 5.000 . 5.000 3.516 3.328 3.863 . 0 0 "[ . 1 . 2]" 1
978 1 22 SER QB 1 126 ASN HA 5.000 . 5.000 2.402 2.161 2.884 . 0 0 "[ . 1 . 2]" 1
979 1 126 ASN H 1 127 VAL H . . 2.761 2.291 2.206 2.595 . 0 0 "[ . 1 . 2]" 1
980 1 125 CYS HA 1 126 ASN H 4.000 . 4.000 3.399 3.337 3.548 . 0 0 "[ . 1 . 2]" 1
981 1 125 CYS QB 1 126 ASN H 5.000 . 5.000 3.233 2.735 3.382 . 0 0 "[ . 1 . 2]" 1
982 1 125 CYS H 1 126 ASN H 3.800 . 3.800 2.932 2.860 2.955 . 0 0 "[ . 1 . 2]" 1
983 1 126 ASN HA 1 127 VAL H 3.510 . 3.510 3.553 3.545 3.559 0.049 13 0 "[ . 1 . 2]" 1
984 1 126 ASN QB 1 127 VAL H 5.000 . 5.000 2.847 2.734 3.500 . 0 0 "[ . 1 . 2]" 1
985 1 127 VAL H 1 127 VAL HA 3.044 . 3.044 2.839 2.837 2.843 . 0 0 "[ . 1 . 2]" 1
986 1 127 VAL H 1 127 VAL MG2 3.800 . 3.800 2.387 2.167 2.501 . 0 0 "[ . 1 . 2]" 1
987 1 21 LYS H 1 128 ARG H 5.000 . 5.000 5.192 5.145 5.242 0.242 19 0 "[ . 1 . 2]" 1
988 1 128 ARG H 1 129 LEU H 5.000 . 5.000 4.683 4.667 4.691 . 0 0 "[ . 1 . 2]" 1
989 1 20 PRO QB 1 129 LEU H 5.000 . 5.000 3.831 3.764 3.887 . 0 0 "[ . 1 . 2]" 1
990 1 20 PRO HA 1 129 LEU H 5.000 . 5.000 3.355 3.306 3.397 . 0 0 "[ . 1 . 2]" 1
991 1 22 SER HA 1 129 LEU H 5.000 . 5.000 4.076 4.004 4.190 . 0 0 "[ . 1 . 2]" 1
992 1 65 TRP HD1 1 129 LEU H 5.000 . 5.000 1.869 1.812 1.943 . 0 0 "[ . 1 . 2]" 1
993 1 65 TRP HE1 1 129 LEU H 5.000 . 5.000 3.285 2.981 3.426 . 0 0 "[ . 1 . 2]" 1
994 1 127 VAL MG1 1 129 LEU MD2 5.000 . 5.000 3.365 3.309 3.453 . 0 0 "[ . 1 . 2]" 1
995 1 63 TYR QB 1 129 LEU MD2 5.000 . 5.000 1.919 1.826 2.036 . 0 0 "[ . 1 . 2]" 1
996 1 63 TYR HA 1 129 LEU MD2 5.000 . 5.000 3.830 3.743 3.943 . 0 0 "[ . 1 . 2]" 1
997 1 64 VAL HA 1 129 LEU MD2 3.800 . 3.800 3.027 2.909 3.066 . 0 0 "[ . 1 . 2]" 1
998 1 20 PRO QB 1 129 LEU HA 3.800 . 3.800 3.037 2.944 3.107 . 0 0 "[ . 1 . 2]" 1
999 1 20 PRO HA 1 129 LEU HA 3.800 . 3.800 3.316 3.229 3.376 . 0 0 "[ . 1 . 2]" 1
1000 1 129 LEU H 1 129 LEU MD2 5.000 . 5.000 4.714 4.593 4.728 . 0 0 "[ . 1 . 2]" 1
1001 1 128 ARG HA 1 129 LEU H 3.800 . 3.800 2.371 2.365 2.381 . 0 0 "[ . 1 . 2]" 1
1002 1 20 PRO QB 1 130 PRO HA 5.000 . 5.000 4.437 4.416 4.451 . 0 0 "[ . 1 . 2]" 1
1003 1 130 PRO HA 1 131 TYR H . . 2.579 2.380 2.362 2.402 . 0 0 "[ . 1 . 2]" 1
1004 1 129 LEU HA 1 130 PRO QG 5.500 . 5.500 4.075 4.048 4.099 . 0 0 "[ . 1 . 2]" 1
1005 1 16 LEU MD1 1 130 PRO QB 5.000 . 5.000 3.168 2.884 3.257 . 0 0 "[ . 1 . 2]" 1
1006 1 18 LEU MD2 1 130 PRO QB 5.000 . 5.000 3.312 3.042 3.603 . 0 0 "[ . 1 . 2]" 1
1007 1 21 LYS QB 1 131 TYR QE 5.000 . 5.000 2.769 2.243 3.036 . 0 0 "[ . 1 . 2]" 1
1008 1 17 PHE QB 1 131 TYR H 5.000 . 5.000 3.443 3.027 3.688 . 0 0 "[ . 1 . 2]" 1
1009 1 17 PHE H 1 131 TYR H 3.800 . 3.800 3.553 3.367 3.705 . 0 0 "[ . 1 . 2]" 1
1010 1 65 TRP H 1 131 TYR H 5.000 . 5.000 4.695 4.589 4.773 . 0 0 "[ . 1 . 2]" 1
1011 1 65 TRP QB 1 131 TYR HA 5.000 . 5.000 3.473 3.370 3.636 . 0 0 "[ . 1 . 2]" 1
1012 1 64 VAL HA 1 131 TYR HA 3.800 . 3.800 3.907 3.875 3.961 0.161 8 0 "[ . 1 . 2]" 1
1013 1 38 LEU MD2 1 132 VAL H 5.000 . 5.000 3.358 2.964 3.491 . 0 0 "[ . 1 . 2]" 1
1014 1 39 VAL H 1 132 VAL H 4.500 . 4.500 3.719 3.491 3.857 . 0 0 "[ . 1 . 2]" 1
1015 1 64 VAL MG1 1 132 VAL H 5.000 . 5.000 3.285 3.174 3.400 . 0 0 "[ . 1 . 2]" 1
1016 1 65 TRP QB 1 132 VAL H 5.000 . 5.000 4.442 4.381 4.525 . 0 0 "[ . 1 . 2]" 1
1017 1 131 TYR HA 1 132 VAL H 2.737 . 2.737 2.512 2.463 2.573 . 0 0 "[ . 1 . 2]" 1
1018 1 131 TYR QB 1 132 VAL H 5.000 . 5.000 2.152 2.019 2.239 . 0 0 "[ . 1 . 2]" 1
1019 1 131 TYR H 1 132 VAL H 4.500 . 4.500 4.491 4.470 4.508 0.008 1 0 "[ . 1 . 2]" 1
1020 1 132 VAL H 1 133 CYS H 4.500 . 4.500 4.508 4.482 4.527 0.027 1 0 "[ . 1 . 2]" 1
1021 1 133 CYS HA 1 134 LYS H 3.200 . 3.200 2.218 2.198 2.262 . 0 0 "[ . 1 . 2]" 1
1022 1 17 PHE H 1 133 CYS H 5.000 . 5.000 5.031 5.010 5.051 0.051 7 0 "[ . 1 . 2]" 1
1023 1 38 LEU HA 1 133 CYS HA 3.500 . 3.500 2.925 2.815 3.057 . 0 0 "[ . 1 . 2]" 1
1024 1 132 VAL MG1 1 133 CYS H 5.000 . 5.000 2.008 1.923 2.080 . 0 0 "[ . 1 . 2]" 1
1025 1 132 VAL MG2 1 133 CYS H 5.500 . 5.500 3.831 3.717 3.887 . 0 0 "[ . 1 . 2]" 1
1026 1 14 TYR HD2 1 134 LYS QB 5.000 . 5.000 3.169 2.933 4.105 . 0 0 "[ . 1 . 2]" 1
1027 1 39 VAL HA 1 134 LYS QB 5.000 . 5.000 2.621 2.415 3.094 . 0 0 "[ . 1 . 2]" 1
1028 1 30 CYS QB 1 134 LYS H 5.000 . 5.000 4.327 3.588 4.511 . 0 0 "[ . 1 . 2]" 1
1029 1 39 VAL HA 1 134 LYS H 5.000 . 5.000 3.203 3.079 3.337 . 0 0 "[ . 1 . 2]" 1
1030 1 135 PHE HA 1 135 PHE HD2 5.000 . 5.000 4.184 4.109 4.254 . 0 0 "[ . 1 . 2]" 1
1031 1 12 HIS QB 1 135 PHE H 5.000 . 5.000 1.904 1.830 1.964 . 0 0 "[ . 1 . 2]" 1
1032 1 12 HIS H 1 135 PHE H 5.000 . 5.000 5.182 5.155 5.207 0.207 9 0 "[ . 1 . 2]" 1
1033 1 36 GLY HA3 1 135 PHE HA 3.800 . 3.800 3.203 3.053 3.391 . 0 0 "[ . 1 . 2]" 1
1034 1 36 GLY HA2 1 135 PHE HA 3.800 . 3.800 2.493 2.348 2.721 . 0 0 "[ . 1 . 2]" 1
1035 1 134 LYS HA 1 135 PHE H 3.200 . 3.200 2.377 2.351 2.412 . 0 0 "[ . 1 . 2]" 1
1036 1 135 PHE H 1 135 PHE QD 5.000 . 5.000 3.234 3.096 3.339 . 0 0 "[ . 1 . 2]" 1
1037 1 35 SER QB 1 136 THR H 5.000 . 5.000 3.825 3.603 4.490 . 0 0 "[ . 1 . 2]" 1
1038 1 36 GLY QA 1 136 THR H 5.000 . 5.000 4.114 3.995 4.295 . 0 0 "[ . 1 . 2]" 1
1039 1 135 PHE HA 1 136 THR H 2.858 . 2.858 2.204 2.190 2.219 . 0 0 "[ . 1 . 2]" 1
1040 1 135 PHE QB 1 136 THR H 5.000 . 5.000 3.305 3.128 3.390 . 0 0 "[ . 1 . 2]" 1
1041 1 135 PHE H 1 136 THR H 4.500 . 4.500 3.967 3.892 4.113 . 0 0 "[ . 1 . 2]" 1
1042 1 136 THR H 1 137 ASP H 5.000 . 5.000 4.359 3.450 4.678 . 0 0 "[ . 1 . 2]" 1
1043 1 136 THR H 1 136 THR HB 4.000 . 4.000 2.954 2.751 3.548 . 0 0 "[ . 1 . 2]" 1
1044 1 136 THR HA 1 137 ASP H 5.000 . 5.000 2.794 2.360 3.475 . 0 0 "[ . 1 . 2]" 1
1045 1 136 THR HB 1 137 ASP H 3.000 . 3.000 2.498 1.791 3.020 0.020 16 0 "[ . 1 . 2]" 1
1046 1 136 THR MG 1 137 ASP H 5.000 . 5.000 1.981 1.701 3.559 0.099 16 0 "[ . 1 . 2]" 1
1047 1 137 ASP H 1 137 ASP HA 3.000 . 3.000 2.804 2.349 2.988 . 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 104
_Distance_constraint_stats_list.Viol_count 564
_Distance_constraint_stats_list.Viol_total 521.600
_Distance_constraint_stats_list.Viol_max 0.295
_Distance_constraint_stats_list.Viol_rms 0.0363
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0125
_Distance_constraint_stats_list.Viol_average_violations_only 0.0462
_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 3 PRO 0.051 0.029 14 0 "[ . 1 . 2]"
1 6 SER 0.051 0.029 14 0 "[ . 1 . 2]"
1 7 LYS 0.645 0.045 19 0 "[ . 1 . 2]"
1 9 TYR 0.091 0.027 11 0 "[ . 1 . 2]"
1 12 HIS 0.091 0.027 11 0 "[ . 1 . 2]"
1 13 CYS 1.156 0.069 18 0 "[ . 1 . 2]"
1 14 TYR 0.645 0.045 19 0 "[ . 1 . 2]"
1 15 ALA 0.006 0.006 10 0 "[ . 1 . 2]"
1 17 PHE 0.601 0.051 1 0 "[ . 1 . 2]"
1 21 LYS 1.530 0.094 2 0 "[ . 1 . 2]"
1 22 SER 0.616 0.058 18 0 "[ . 1 . 2]"
1 23 TRP 0.900 0.077 5 0 "[ . 1 . 2]"
1 24 THR 0.017 0.005 12 0 "[ . 1 . 2]"
1 25 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ALA 2.084 0.103 17 0 "[ . 1 . 2]"
1 27 ASP 1.065 0.077 5 0 "[ . 1 . 2]"
1 28 LEU 0.017 0.005 12 0 "[ . 1 . 2]"
1 29 ALA 0.493 0.054 17 0 "[ . 1 . 2]"
1 30 CYS 1.716 0.103 17 0 "[ . 1 . 2]"
1 31 GLN 0.238 0.047 1 0 "[ . 1 . 2]"
1 32 LYS 0.493 0.054 17 0 "[ . 1 . 2]"
1 33 ARG 0.247 0.025 10 0 "[ . 1 . 2]"
1 37 ASN 1.486 0.102 20 0 "[ . 1 . 2]"
1 39 VAL 0.022 0.013 2 0 "[ . 1 . 2]"
1 43 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 GLY 5.823 0.295 19 0 "[ . 1 . 2]"
1 45 ALA 0.234 0.024 13 0 "[ . 1 . 2]"
1 46 GLU 0.366 0.037 4 0 "[ . 1 . 2]"
1 47 GLY 0.127 0.017 7 0 "[ . 1 . 2]"
1 48 SER 5.823 0.295 19 0 "[ . 1 . 2]"
1 49 PHE 0.234 0.024 13 0 "[ . 1 . 2]"
1 50 VAL 0.366 0.037 4 0 "[ . 1 . 2]"
1 51 SER 1.045 0.059 12 0 "[ . 1 . 2]"
1 52 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 VAL 0.091 0.017 13 0 "[ . 1 . 2]"
1 55 LYS 0.828 0.059 12 0 "[ . 1 . 2]"
1 62 SER 1.169 0.095 5 0 "[ . 1 . 2]"
1 64 VAL 1.678 0.096 19 0 "[ . 1 . 2]"
1 65 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ILE 2.936 0.183 18 0 "[ . 1 . 2]"
1 67 GLY 2.194 0.152 3 0 "[ . 1 . 2]"
1 68 LEU 0.199 0.072 5 0 "[ . 1 . 2]"
1 69 HIS 0.182 0.055 15 0 "[ . 1 . 2]"
1 83 GLU 0.182 0.055 15 0 "[ . 1 . 2]"
1 85 SER 2.194 0.152 3 0 "[ . 1 . 2]"
1 94 ALA 0.278 0.029 19 0 "[ . 1 . 2]"
1 108 CYS 0.027 0.012 6 0 "[ . 1 . 2]"
1 109 ALA 3.135 0.183 18 0 "[ . 1 . 2]"
1 110 SER 0.209 0.035 1 0 "[ . 1 . 2]"
1 111 LEU 1.678 0.096 19 0 "[ . 1 . 2]"
1 112 SER 0.011 0.011 17 0 "[ . 1 . 2]"
1 113 ARG 1.262 0.095 5 0 "[ . 1 . 2]"
1 115 THR 0.001 0.001 9 0 "[ . 1 . 2]"
1 116 ALA 0.093 0.021 5 0 "[ . 1 . 2]"
1 117 PHE 0.011 0.011 17 0 "[ . 1 . 2]"
1 118 LEU 0.001 0.001 9 0 "[ . 1 . 2]"
1 120 TRP 0.278 0.029 19 0 "[ . 1 . 2]"
1 121 LYS 0.209 0.035 1 0 "[ . 1 . 2]"
1 123 TYR 0.027 0.012 6 0 "[ . 1 . 2]"
1 124 ASN 0.069 0.018 13 0 "[ . 1 . 2]"
1 125 CYS 0.072 0.022 17 0 "[ . 1 . 2]"
1 127 VAL 0.069 0.018 13 0 "[ . 1 . 2]"
1 129 LEU 1.530 0.094 2 0 "[ . 1 . 2]"
1 130 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 131 TYR 0.601 0.051 1 0 "[ . 1 . 2]"
1 132 VAL 0.022 0.013 2 0 "[ . 1 . 2]"
1 133 CYS 0.006 0.006 10 0 "[ . 1 . 2]"
1 134 LYS 1.486 0.102 20 0 "[ . 1 . 2]"
1 135 PHE 1.156 0.069 18 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 O 1 6 SER H 2.300 . 2.500 2.244 1.980 2.529 0.029 14 0 "[ . 1 . 2]" 2
2 1 7 LYS H 1 14 TYR O 2.300 . 2.500 2.058 1.875 2.505 0.005 20 0 "[ . 1 . 2]" 2
3 1 9 TYR H 1 12 HIS O 2.300 . 2.500 2.360 2.237 2.503 0.003 6 0 "[ . 1 . 2]" 2
4 1 9 TYR O 1 12 HIS H 2.300 . 2.500 2.413 2.203 2.527 0.027 11 0 "[ . 1 . 2]" 2
5 1 13 CYS H 1 135 PHE O 2.300 . 2.500 1.822 1.787 1.876 0.013 17 0 "[ . 1 . 2]" 2
6 1 7 LYS O 1 14 TYR H 2.300 . 2.500 1.865 1.839 1.898 . 0 0 "[ . 1 . 2]" 2
7 1 17 PHE H 1 131 TYR O 2.300 . 2.500 2.064 1.928 2.174 . 0 0 "[ . 1 . 2]" 2
8 1 21 LYS H 1 129 LEU O 2.300 . 2.500 2.577 2.564 2.594 0.094 2 0 "[ . 1 . 2]" 2
9 1 23 TRP H 1 125 CYS O 2.300 . 2.500 2.449 2.097 2.522 0.022 17 0 "[ . 1 . 2]" 2
10 1 22 SER O 1 26 ALA H 2.300 . 2.500 1.811 1.778 1.931 0.022 9 0 "[ . 1 . 2]" 2
11 1 23 TRP O 1 27 ASP H 2.300 . 2.500 2.541 2.524 2.577 0.077 5 0 "[ . 1 . 2]" 2
12 1 24 THR O 1 28 LEU H 2.300 . 2.500 2.453 2.319 2.505 0.005 12 0 "[ . 1 . 2]" 2
13 1 25 ASP O 1 29 ALA H 2.300 . 2.500 2.021 1.923 2.074 . 0 0 "[ . 1 . 2]" 2
14 1 26 ALA O 1 30 CYS H 2.300 . 2.500 1.813 1.793 1.862 0.007 17 0 "[ . 1 . 2]" 2
15 1 27 ASP O 1 31 GLN H 2.300 . 2.500 2.462 2.270 2.547 0.047 1 0 "[ . 1 . 2]" 2
16 1 29 ALA O 1 32 LYS H 2.300 . 2.500 2.070 1.922 2.160 . 0 0 "[ . 1 . 2]" 2
17 1 30 CYS O 1 33 ARG H 2.300 . 2.500 2.488 2.322 2.525 0.025 10 0 "[ . 1 . 2]" 2
18 1 37 ASN H 1 134 LYS O 2.300 . 2.500 2.495 2.432 2.546 0.046 7 0 "[ . 1 . 2]" 2
19 1 39 VAL H 1 132 VAL O 2.300 . 2.500 2.155 1.838 2.332 . 0 0 "[ . 1 . 2]" 2
20 1 43 SER O 1 47 GLY H 2.300 . 2.500 2.087 1.944 2.168 . 0 0 "[ . 1 . 2]" 2
21 1 44 GLY O 1 48 SER H 2.300 . 2.500 2.780 2.763 2.795 0.295 19 0 "[ . 1 . 2]" 2
22 1 45 ALA O 1 49 PHE H 2.300 . 2.500 1.951 1.829 1.987 . 0 0 "[ . 1 . 2]" 2
23 1 46 GLU O 1 50 VAL H 2.300 . 2.500 1.810 1.788 1.875 0.012 4 0 "[ . 1 . 2]" 2
24 1 47 GLY O 1 51 SER H 2.300 . 2.500 2.501 2.429 2.517 0.017 7 0 "[ . 1 . 2]" 2
25 1 48 SER O 1 52 SER H 2.300 . 2.500 2.204 1.896 2.371 . 0 0 "[ . 1 . 2]" 2
26 1 49 PHE O 1 53 LEU H 2.300 . 2.500 2.253 2.082 2.374 . 0 0 "[ . 1 . 2]" 2
27 1 50 VAL O 1 54 VAL H 2.300 . 2.500 2.256 2.167 2.465 . 0 0 "[ . 1 . 2]" 2
28 1 51 SER O 1 54 VAL H 2.300 . 2.500 2.386 2.090 2.517 0.017 13 0 "[ . 1 . 2]" 2
29 1 51 SER O 1 55 LYS H 2.300 . 2.500 2.472 2.420 2.507 0.007 17 0 "[ . 1 . 2]" 2
30 1 64 VAL H 1 111 LEU O 2.300 . 2.500 2.273 2.211 2.393 . 0 0 "[ . 1 . 2]" 2
31 1 65 TRP H 1 130 PRO O 2.300 . 2.500 2.095 1.925 2.191 . 0 0 "[ . 1 . 2]" 2
32 1 66 ILE H 1 109 ALA O 2.300 . 2.500 2.647 2.598 2.683 0.183 18 0 "[ . 1 . 2]" 2
33 1 39 VAL O 1 67 GLY H 2.300 . 2.500 2.169 1.931 2.311 . 0 0 "[ . 1 . 2]" 2
34 1 69 HIS H 1 83 GLU O 2.300 . 2.500 2.273 2.139 2.555 0.055 15 0 "[ . 1 . 2]" 2
35 1 69 HIS O 1 83 GLU H 2.300 . 2.500 2.230 2.045 2.341 . 0 0 "[ . 1 . 2]" 2
36 1 67 GLY O 1 85 SER H 2.300 . 2.500 1.814 1.771 1.897 0.029 4 0 "[ . 1 . 2]" 2
37 1 68 LEU O 1 109 ALA H 2.300 . 2.500 2.030 1.865 2.323 . 0 0 "[ . 1 . 2]" 2
38 1 110 SER H 1 121 LYS O 2.300 . 2.500 2.020 1.905 2.186 . 0 0 "[ . 1 . 2]" 2
39 1 64 VAL O 1 111 LEU H 2.300 . 2.500 1.822 1.779 1.913 0.021 12 0 "[ . 1 . 2]" 2
40 1 62 SER O 1 113 ARG H 2.300 . 2.500 1.972 1.766 2.050 0.034 6 0 "[ . 1 . 2]" 2
41 1 113 ARG O 1 116 ALA H 2.300 . 2.500 1.955 1.873 2.298 . 0 0 "[ . 1 . 2]" 2
42 1 112 SER O 1 117 PHE H 2.300 . 2.500 2.166 1.975 2.294 . 0 0 "[ . 1 . 2]" 2
43 1 115 THR O 1 118 LEU H 2.300 . 2.500 2.022 1.871 2.468 . 0 0 "[ . 1 . 2]" 2
44 1 94 ALA O 1 120 TRP H 2.300 . 2.500 2.510 2.449 2.529 0.029 19 0 "[ . 1 . 2]" 2
45 1 110 SER O 1 121 LYS H 2.300 . 2.500 1.857 1.802 2.051 . 0 0 "[ . 1 . 2]" 2
46 1 108 CYS O 1 123 TYR H 2.300 . 2.500 2.117 1.959 2.512 0.012 6 0 "[ . 1 . 2]" 2
47 1 124 ASN O 1 127 VAL H 2.300 . 2.500 2.087 2.036 2.262 . 0 0 "[ . 1 . 2]" 2
48 1 21 LYS O 1 129 LEU H 2.300 . 2.500 2.438 2.376 2.487 . 0 0 "[ . 1 . 2]" 2
49 1 17 PHE O 1 131 TYR H 2.300 . 2.500 2.529 2.488 2.551 0.051 1 0 "[ . 1 . 2]" 2
50 1 15 ALA O 1 133 CYS H 2.300 . 2.500 2.245 1.994 2.506 0.006 10 0 "[ . 1 . 2]" 2
51 1 37 ASN O 1 134 LYS H 2.300 . 2.500 2.563 2.461 2.602 0.102 20 0 "[ . 1 . 2]" 2
52 1 13 CYS O 1 135 PHE H 2.300 . 2.500 2.390 2.265 2.507 0.007 14 0 "[ . 1 . 2]" 2
53 1 3 PRO O 1 6 SER N 3.300 2.800 3.600 3.069 2.793 3.384 0.007 17 0 "[ . 1 . 2]" 2
54 1 7 LYS N 1 14 TYR O 3.300 2.800 3.600 2.871 2.761 3.224 0.039 3 0 "[ . 1 . 2]" 2
55 1 9 TYR N 1 12 HIS O 3.300 2.800 3.600 3.240 3.162 3.310 . 0 0 "[ . 1 . 2]" 2
56 1 9 TYR O 1 12 HIS N 3.300 2.800 3.600 3.293 3.124 3.423 . 0 0 "[ . 1 . 2]" 2
57 1 13 CYS N 1 135 PHE O 3.300 2.800 3.600 2.745 2.731 2.774 0.069 18 0 "[ . 1 . 2]" 2
58 1 7 LYS O 1 14 TYR N 3.300 2.800 3.600 2.770 2.755 2.786 0.045 19 0 "[ . 1 . 2]" 2
59 1 17 PHE N 1 131 TYR O 3.300 2.800 3.600 3.030 2.888 3.131 . 0 0 "[ . 1 . 2]" 2
60 1 21 LYS N 1 129 LEU O 3.300 2.800 3.600 3.332 3.293 3.367 . 0 0 "[ . 1 . 2]" 2
61 1 23 TRP N 1 125 CYS O 3.300 2.800 3.600 3.062 2.880 3.140 . 0 0 "[ . 1 . 2]" 2
62 1 22 SER O 1 26 ALA N 3.300 2.800 3.600 2.778 2.742 2.892 0.058 18 0 "[ . 1 . 2]" 2
63 1 23 TRP O 1 27 ASP N 3.300 2.800 3.600 3.306 3.289 3.337 . 0 0 "[ . 1 . 2]" 2
64 1 24 THR O 1 28 LEU N 3.300 2.800 3.600 3.324 3.198 3.381 . 0 0 "[ . 1 . 2]" 2
65 1 25 ASP O 1 29 ALA N 3.300 2.800 3.600 2.967 2.872 3.043 . 0 0 "[ . 1 . 2]" 2
66 1 26 ALA O 1 30 CYS N 3.300 2.800 3.600 2.727 2.697 2.761 0.103 17 0 "[ . 1 . 2]" 2
67 1 27 ASP O 1 31 GLN N 3.300 2.800 3.600 3.067 2.930 3.123 . 0 0 "[ . 1 . 2]" 2
68 1 29 ALA O 1 32 LYS N 3.300 2.800 3.600 2.775 2.746 2.793 0.054 17 0 "[ . 1 . 2]" 2
69 1 30 CYS O 1 33 ARG N 3.300 2.800 3.600 3.375 3.203 3.410 . 0 0 "[ . 1 . 2]" 2
70 1 37 ASN N 1 134 LYS O 3.300 2.800 3.600 3.286 3.242 3.332 . 0 0 "[ . 1 . 2]" 2
71 1 39 VAL N 1 132 VAL O 3.300 2.800 3.600 3.095 2.787 3.266 0.013 2 0 "[ . 1 . 2]" 2
72 1 43 SER O 1 47 GLY N 3.300 2.800 3.600 3.052 2.915 3.135 . 0 0 "[ . 1 . 2]" 2
73 1 44 GLY O 1 48 SER N 3.300 2.800 3.600 3.597 3.513 3.638 0.038 6 0 "[ . 1 . 2]" 2
74 1 45 ALA O 1 49 PHE N 3.300 2.800 3.600 2.791 2.776 2.831 0.024 13 0 "[ . 1 . 2]" 2
75 1 46 GLU O 1 50 VAL N 3.300 2.800 3.600 2.785 2.763 2.837 0.037 4 0 "[ . 1 . 2]" 2
76 1 47 GLY O 1 51 SER N 3.300 2.800 3.600 3.370 3.314 3.418 . 0 0 "[ . 1 . 2]" 2
77 1 48 SER O 1 52 SER N 3.300 2.800 3.600 3.118 2.822 3.246 . 0 0 "[ . 1 . 2]" 2
78 1 49 PHE O 1 53 LEU N 3.300 2.800 3.600 3.026 2.871 3.132 . 0 0 "[ . 1 . 2]" 2
79 1 50 VAL O 1 54 VAL N 3.300 2.800 3.600 3.018 2.952 3.171 . 0 0 "[ . 1 . 2]" 2
80 1 51 SER O 1 54 VAL N 3.300 2.800 3.600 3.169 2.907 3.286 . 0 0 "[ . 1 . 2]" 2
81 1 51 SER O 1 55 LYS N 3.300 2.800 3.600 2.762 2.741 2.854 0.059 12 0 "[ . 1 . 2]" 2
82 1 64 VAL N 1 111 LEU O 3.300 2.800 3.600 3.120 2.987 3.257 . 0 0 "[ . 1 . 2]" 2
83 1 65 TRP N 1 130 PRO O 3.300 2.800 3.600 2.989 2.862 3.084 . 0 0 "[ . 1 . 2]" 2
84 1 66 ILE N 1 109 ALA O 3.300 2.800 3.600 3.498 3.445 3.540 . 0 0 "[ . 1 . 2]" 2
85 1 39 VAL O 1 67 GLY N 3.300 2.800 3.600 3.052 2.819 3.195 . 0 0 "[ . 1 . 2]" 2
86 1 69 HIS N 1 83 GLU O 3.300 2.800 3.600 3.245 3.112 3.535 . 0 0 "[ . 1 . 2]" 2
87 1 69 HIS O 1 83 GLU N 3.300 2.800 3.600 3.118 2.984 3.237 . 0 0 "[ . 1 . 2]" 2
88 1 67 GLY O 1 85 SER N 3.300 2.800 3.600 2.700 2.648 2.761 0.152 3 0 "[ . 1 . 2]" 2
89 1 68 LEU O 1 109 ALA N 3.300 2.800 3.600 2.882 2.728 3.064 0.072 5 0 "[ . 1 . 2]" 2
90 1 110 SER N 1 121 LYS O 3.300 2.800 3.600 2.904 2.799 3.036 0.001 4 0 "[ . 1 . 2]" 2
91 1 64 VAL O 1 111 LEU N 3.300 2.800 3.600 2.722 2.704 2.758 0.096 19 0 "[ . 1 . 2]" 2
92 1 62 SER O 1 113 ARG N 3.300 2.800 3.600 2.743 2.705 2.763 0.095 5 0 "[ . 1 . 2]" 2
93 1 113 ARG O 1 116 ALA N 3.300 2.800 3.600 2.833 2.779 3.193 0.021 5 0 "[ . 1 . 2]" 2
94 1 112 SER O 1 117 PHE N 3.300 2.800 3.600 3.031 2.789 3.163 0.011 17 0 "[ . 1 . 2]" 2
95 1 115 THR O 1 118 LEU N 3.300 2.800 3.600 2.926 2.799 3.325 0.001 9 0 "[ . 1 . 2]" 2
96 1 94 ALA O 1 120 TRP N 3.300 2.800 3.600 3.362 3.240 3.449 . 0 0 "[ . 1 . 2]" 2
97 1 110 SER O 1 121 LYS N 3.300 2.800 3.600 2.807 2.765 2.921 0.035 1 0 "[ . 1 . 2]" 2
98 1 108 CYS O 1 123 TYR N 3.300 2.800 3.600 2.970 2.796 3.378 0.004 15 0 "[ . 1 . 2]" 2
99 1 124 ASN O 1 127 VAL N 3.300 2.800 3.600 2.832 2.782 2.993 0.018 13 0 "[ . 1 . 2]" 2
100 1 21 LYS O 1 129 LEU N 3.300 2.800 3.600 3.336 3.252 3.386 . 0 0 "[ . 1 . 2]" 2
101 1 17 PHE O 1 131 TYR N 3.300 2.800 3.600 3.355 3.313 3.431 . 0 0 "[ . 1 . 2]" 2
102 1 15 ALA O 1 133 CYS N 3.300 2.800 3.600 3.100 2.875 3.298 . 0 0 "[ . 1 . 2]" 2
103 1 37 ASN O 1 134 LYS N 3.300 2.800 3.600 3.540 3.439 3.582 . 0 0 "[ . 1 . 2]" 2
104 1 13 CYS O 1 135 PHE N 3.300 2.800 3.600 2.997 2.864 3.125 . 0 0 "[ . 1 . 2]" 2
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