Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
617061 | 2ndh RC | 26061 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ndh
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 1323
_Distance_constraint_stats_list.Viol_count 1931
_Distance_constraint_stats_list.Viol_total 1639.001
_Distance_constraint_stats_list.Viol_max 0.455
_Distance_constraint_stats_list.Viol_rms 0.0211
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0031
_Distance_constraint_stats_list.Viol_average_violations_only 0.0424
_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 4 TRP 0.009 0.004 12 0 "[ . 1 . 2]"
1 5 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 LYS 0.009 0.004 12 0 "[ . 1 . 2]"
1 7 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 TYR 0.033 0.013 12 0 "[ . 1 . 2]"
1 9 ASP 0.181 0.016 20 0 "[ . 1 . 2]"
1 10 VAL 0.465 0.049 3 0 "[ . 1 . 2]"
1 11 CYS 0.926 0.049 19 0 "[ . 1 . 2]"
1 12 VAL 0.356 0.041 16 0 "[ . 1 . 2]"
1 13 CYS 0.049 0.013 20 0 "[ . 1 . 2]"
1 14 HIS 0.281 0.028 19 0 "[ . 1 . 2]"
1 15 SER 0.519 0.041 20 0 "[ . 1 . 2]"
1 16 GLU 0.026 0.010 16 0 "[ . 1 . 2]"
1 17 GLU 0.018 0.018 4 0 "[ . 1 . 2]"
1 18 ASP 2.748 0.104 19 0 "[ . 1 . 2]"
1 19 LEU 0.604 0.095 12 0 "[ . 1 . 2]"
1 20 VAL 1.017 0.063 18 0 "[ . 1 . 2]"
1 21 ALA 0.057 0.032 12 0 "[ . 1 . 2]"
1 22 ALA 1.401 0.104 19 0 "[ . 1 . 2]"
1 23 GLN 1.997 0.132 10 0 "[ . 1 . 2]"
1 24 ASP 0.102 0.022 12 0 "[ . 1 . 2]"
1 25 LEU 0.270 0.028 12 0 "[ . 1 . 2]"
1 26 VAL 3.505 0.132 10 0 "[ . 1 . 2]"
1 27 SER 0.321 0.160 9 0 "[ . 1 . 2]"
1 28 TYR 2.453 0.110 9 0 "[ . 1 . 2]"
1 29 LEU 4.340 0.119 14 0 "[ . 1 . 2]"
1 30 GLU 1.679 0.160 9 0 "[ . 1 . 2]"
1 31 GLY 0.577 0.066 3 0 "[ . 1 . 2]"
1 33 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ALA 0.177 0.083 4 0 "[ . 1 . 2]"
1 35 SER 0.022 0.022 9 0 "[ . 1 . 2]"
1 36 LEU 0.529 0.365 17 0 "[ . 1 . 2]"
1 37 ARG 0.099 0.013 12 0 "[ . 1 . 2]"
1 38 ALA 0.420 0.035 10 0 "[ . 1 . 2]"
1 39 PHE 0.601 0.049 19 0 "[ . 1 . 2]"
1 40 LEU 0.038 0.012 18 0 "[ . 1 . 2]"
1 42 LEU 0.501 0.178 13 0 "[ . 1 . 2]"
1 43 ARG 0.247 0.053 13 0 "[ . 1 . 2]"
1 44 ASP 0.005 0.005 10 0 "[ . 1 . 2]"
1 45 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 THR 0.116 0.116 18 0 "[ . 1 . 2]"
1 51 ILE 0.191 0.191 19 0 "[ . 1 . 2]"
1 52 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 SER 0.081 0.030 4 0 "[ . 1 . 2]"
1 62 SER 0.271 0.096 11 0 "[ . 1 . 2]"
1 63 HIS 4.079 0.455 12 0 "[ . 1 . 2]"
1 64 CYS 1.317 0.189 1 0 "[ . 1 . 2]"
1 65 ARG 1.103 0.096 1 0 "[ . 1 . 2]"
1 66 VAL 1.763 0.125 4 0 "[ . 1 . 2]"
1 67 LEU 4.608 0.385 19 0 "[ . 1 . 2]"
1 68 LEU 2.451 0.092 5 0 "[ . 1 . 2]"
1 69 ILE 1.998 0.083 12 0 "[ . 1 . 2]"
1 70 THR 0.969 0.079 12 0 "[ . 1 . 2]"
1 71 PRO 0.163 0.076 20 0 "[ . 1 . 2]"
1 72 GLY 0.003 0.003 16 0 "[ . 1 . 2]"
1 73 PHE 3.277 0.197 12 0 "[ . 1 . 2]"
1 74 LEU 3.491 0.197 12 0 "[ . 1 . 2]"
1 75 GLN 1.675 0.341 12 0 "[ . 1 . 2]"
1 76 ASP 1.418 0.341 12 0 "[ . 1 . 2]"
1 77 PRO 0.063 0.019 9 0 "[ . 1 . 2]"
1 78 TRP 0.304 0.035 7 0 "[ . 1 . 2]"
1 79 CYS 0.019 0.017 16 0 "[ . 1 . 2]"
1 80 LYS 2.159 0.061 4 0 "[ . 1 . 2]"
1 81 TYR 0.839 0.064 4 0 "[ . 1 . 2]"
1 82 GLN 0.296 0.020 14 0 "[ . 1 . 2]"
1 83 MET 2.319 0.093 20 0 "[ . 1 . 2]"
1 84 LEU 14.799 0.393 4 0 "[ . 1 . 2]"
1 85 GLN 3.938 0.181 5 0 "[ . 1 . 2]"
1 86 ALA 1.417 0.090 6 0 "[ . 1 . 2]"
1 87 LEU 1.114 0.037 14 0 "[ . 1 . 2]"
1 88 THR 0.207 0.026 4 0 "[ . 1 . 2]"
1 89 GLU 3.169 0.237 20 0 "[ . 1 . 2]"
1 90 ALA 0.168 0.040 20 0 "[ . 1 . 2]"
1 92 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 ALA 0.020 0.014 7 0 "[ . 1 . 2]"
1 94 GLU 0.020 0.014 7 0 "[ . 1 . 2]"
1 95 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 CYS 0.075 0.018 1 0 "[ . 1 . 2]"
1 97 THR 1.651 0.134 3 0 "[ . 1 . 2]"
1 98 ILE 8.334 0.385 19 0 "[ . 1 . 2]"
1 99 PRO 0.291 0.073 19 0 "[ . 1 . 2]"
1 100 LEU 2.730 0.148 19 0 "[ . 1 . 2]"
1 101 LEU 0.050 0.012 19 0 "[ . 1 . 2]"
1 102 SER 0.009 0.009 16 0 "[ . 1 . 2]"
1 104 LEU 0.258 0.058 19 0 "[ . 1 . 2]"
1 107 ALA 0.036 0.027 1 0 "[ . 1 . 2]"
1 108 ALA 0.214 0.137 19 0 "[ . 1 . 2]"
1 109 TYR 0.997 0.137 19 0 "[ . 1 . 2]"
1 111 PRO 0.005 0.005 19 0 "[ . 1 . 2]"
1 112 GLU 0.049 0.017 17 0 "[ . 1 . 2]"
1 113 LEU 0.613 0.101 12 0 "[ . 1 . 2]"
1 119 VAL 0.765 0.097 12 0 "[ . 1 . 2]"
1 120 ASP 0.006 0.006 8 0 "[ . 1 . 2]"
1 121 GLY 0.231 0.148 19 0 "[ . 1 . 2]"
1 122 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 126 GLY 0.194 0.063 12 0 "[ . 1 . 2]"
1 127 GLY 0.054 0.019 12 0 "[ . 1 . 2]"
1 128 PHE 0.194 0.063 12 0 "[ . 1 . 2]"
1 129 ARG 0.683 0.140 18 0 "[ . 1 . 2]"
1 130 GLN 0.597 0.172 14 0 "[ . 1 . 2]"
1 131 VAL 1.912 0.204 14 0 "[ . 1 . 2]"
1 132 LYS 3.299 0.211 16 0 "[ . 1 . 2]"
1 133 GLU 1.777 0.211 16 0 "[ . 1 . 2]"
1 134 ALA 1.069 0.211 16 0 "[ . 1 . 2]"
1 135 VAL 1.268 0.145 18 0 "[ . 1 . 2]"
1 136 MET 2.079 0.134 16 0 "[ . 1 . 2]"
1 137 ARG 3.792 0.211 16 0 "[ . 1 . 2]"
1 138 TYR 3.817 0.346 4 0 "[ . 1 . 2]"
1 139 LEU 2.745 0.346 4 0 "[ . 1 . 2]"
1 140 GLN 2.353 0.136 7 0 "[ . 1 . 2]"
1 141 THR 1.888 0.226 15 0 "[ . 1 . 2]"
1 142 LEU 7.329 0.380 10 0 "[ . 1 . 2]"
1 143 SER 4.300 0.380 10 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 4 TRP QB 1 5 SER H . . 4.240 2.888 1.944 4.017 . 0 0 "[ . 1 . 2]" 1
2 1 4 TRP QB 1 6 LYS H . . 4.210 4.009 2.870 4.214 0.004 12 0 "[ . 1 . 2]" 1
3 1 5 SER H 1 5 SER QB . . 3.020 2.314 2.140 2.582 . 0 0 "[ . 1 . 2]" 1
4 1 5 SER H 1 6 LYS H . . 3.130 2.590 2.136 2.922 . 0 0 "[ . 1 . 2]" 1
5 1 5 SER QB 1 6 LYS H . . 3.370 2.317 1.944 3.009 . 0 0 "[ . 1 . 2]" 1
6 1 7 ASP H 1 8 TYR H . . 4.110 2.492 1.902 2.828 . 0 0 "[ . 1 . 2]" 1
7 1 8 TYR H 1 9 ASP H . . 4.830 4.423 4.327 4.520 . 0 0 "[ . 1 . 2]" 1
8 1 8 TYR H 1 62 SER HA . . 4.640 4.630 4.568 4.653 0.013 12 0 "[ . 1 . 2]" 1
9 1 8 TYR HA 1 10 VAL H . . 4.500 4.282 4.177 4.389 . 0 0 "[ . 1 . 2]" 1
10 1 9 ASP H 1 9 ASP HB2 . . 4.160 2.479 2.379 2.610 . 0 0 "[ . 1 . 2]" 1
11 1 9 ASP H 1 9 ASP HB3 . . 4.160 3.673 3.609 3.741 . 0 0 "[ . 1 . 2]" 1
12 1 9 ASP H 1 10 VAL H . . 3.580 2.180 2.095 2.245 . 0 0 "[ . 1 . 2]" 1
13 1 9 ASP H 1 37 ARG H . . 5.500 5.474 5.172 5.513 0.013 12 0 "[ . 1 . 2]" 1
14 1 9 ASP H 1 37 ARG QB . . 4.980 4.870 4.187 4.987 0.007 19 0 "[ . 1 . 2]" 1
15 1 9 ASP H 1 39 PHE H . . 5.500 5.308 5.050 5.503 0.003 1 0 "[ . 1 . 2]" 1
16 1 9 ASP H 1 62 SER QB . . 5.100 4.489 4.189 4.829 . 0 0 "[ . 1 . 2]" 1
17 1 9 ASP HA 1 63 HIS H . . 3.850 3.141 3.002 3.289 . 0 0 "[ . 1 . 2]" 1
18 1 9 ASP HA 1 63 HIS HA . . 5.500 5.482 5.366 5.516 0.016 20 0 "[ . 1 . 2]" 1
19 1 9 ASP QB 1 10 VAL H . . 3.360 2.420 2.350 2.526 . 0 0 "[ . 1 . 2]" 1
20 1 9 ASP QB 1 10 VAL HB . . 4.640 3.753 3.706 3.803 . 0 0 "[ . 1 . 2]" 1
21 1 9 ASP QB 1 10 VAL MG1 . . 4.810 4.723 4.712 4.738 . 0 0 "[ . 1 . 2]" 1
22 1 9 ASP QB 1 10 VAL MG2 . . 4.260 2.537 2.468 2.648 . 0 0 "[ . 1 . 2]" 1
23 1 9 ASP QB 1 37 ARG H . . 4.140 2.882 2.656 3.011 . 0 0 "[ . 1 . 2]" 1
24 1 9 ASP QB 1 62 SER HA . . 5.340 4.958 4.664 5.344 0.004 15 0 "[ . 1 . 2]" 1
25 1 9 ASP HB2 1 10 VAL MG1 . . 5.500 5.366 5.179 5.485 . 0 0 "[ . 1 . 2]" 1
26 1 9 ASP HB3 1 10 VAL MG1 . . 5.500 5.256 5.140 5.452 . 0 0 "[ . 1 . 2]" 1
27 1 10 VAL H 1 10 VAL HB . . 3.620 2.902 2.874 2.912 . 0 0 "[ . 1 . 2]" 1
28 1 10 VAL H 1 10 VAL MG1 . . 3.950 3.937 3.925 3.948 . 0 0 "[ . 1 . 2]" 1
29 1 10 VAL H 1 10 VAL MG2 . . 3.420 3.071 2.959 3.127 . 0 0 "[ . 1 . 2]" 1
30 1 10 VAL H 1 11 CYS H . . 4.490 4.268 4.208 4.317 . 0 0 "[ . 1 . 2]" 1
31 1 10 VAL H 1 11 CYS HB2 . . 4.910 4.824 4.730 4.931 0.021 17 0 "[ . 1 . 2]" 1
32 1 10 VAL H 1 37 ARG H . . 5.150 4.898 4.742 5.075 . 0 0 "[ . 1 . 2]" 1
33 1 10 VAL H 1 38 ALA H . . 5.400 5.386 5.247 5.424 0.024 10 0 "[ . 1 . 2]" 1
34 1 10 VAL H 1 38 ALA HA . . 3.600 2.911 2.647 3.046 . 0 0 "[ . 1 . 2]" 1
35 1 10 VAL H 1 38 ALA MB . . 4.220 4.035 3.620 4.231 0.011 1 0 "[ . 1 . 2]" 1
36 1 10 VAL H 1 39 PHE H . . 4.170 3.947 3.793 4.130 . 0 0 "[ . 1 . 2]" 1
37 1 10 VAL H 1 39 PHE HZ . . 5.030 4.761 4.567 5.030 . 14 0 "[ . 1 . 2]" 1
38 1 10 VAL H 1 62 SER HA . . 4.950 4.727 4.313 4.965 0.015 11 0 "[ . 1 . 2]" 1
39 1 10 VAL H 1 62 SER QB . . 4.240 4.130 3.779 4.246 0.006 11 0 "[ . 1 . 2]" 1
40 1 10 VAL H 1 63 HIS H . . 4.910 4.676 4.495 4.814 . 0 0 "[ . 1 . 2]" 1
41 1 10 VAL H 1 64 CYS H . . 5.500 5.253 4.995 5.371 . 0 0 "[ . 1 . 2]" 1
42 1 10 VAL HA 1 10 VAL MG1 . . 3.440 2.362 2.310 2.413 . 0 0 "[ . 1 . 2]" 1
43 1 10 VAL HA 1 10 VAL MG2 . . 3.520 2.335 2.287 2.410 . 0 0 "[ . 1 . 2]" 1
44 1 10 VAL HA 1 11 CYS H . . 3.420 2.193 2.165 2.231 . 0 0 "[ . 1 . 2]" 1
45 1 10 VAL HA 1 11 CYS HA . . 4.570 4.415 4.398 4.433 . 0 0 "[ . 1 . 2]" 1
46 1 10 VAL HA 1 11 CYS HB2 . . 4.770 4.404 4.339 4.480 . 0 0 "[ . 1 . 2]" 1
47 1 10 VAL HA 1 11 CYS HB3 . . 4.720 4.591 4.557 4.636 . 0 0 "[ . 1 . 2]" 1
48 1 10 VAL HA 1 38 ALA MB . . 4.720 4.285 4.108 4.477 . 0 0 "[ . 1 . 2]" 1
49 1 10 VAL HA 1 39 PHE HZ . . 5.500 5.491 5.363 5.511 0.011 19 0 "[ . 1 . 2]" 1
50 1 10 VAL HA 1 62 SER QB . . 4.250 2.773 2.470 3.328 . 0 0 "[ . 1 . 2]" 1
51 1 10 VAL HA 1 64 CYS H . . 3.650 2.883 2.604 3.115 . 0 0 "[ . 1 . 2]" 1
52 1 10 VAL HA 1 64 CYS HA . . 5.290 5.098 4.894 5.198 . 0 0 "[ . 1 . 2]" 1
53 1 10 VAL HB 1 11 CYS H . . 4.280 4.043 3.942 4.130 . 0 0 "[ . 1 . 2]" 1
54 1 10 VAL HB 1 38 ALA H . . 4.680 4.130 3.889 4.435 . 0 0 "[ . 1 . 2]" 1
55 1 10 VAL HB 1 38 ALA HA . . 4.300 2.328 2.101 2.798 . 0 0 "[ . 1 . 2]" 1
56 1 10 VAL HB 1 38 ALA MB . . 3.740 1.985 1.920 2.084 . 0 0 "[ . 1 . 2]" 1
57 1 10 VAL HB 1 39 PHE H . . 4.370 3.942 3.792 4.213 . 0 0 "[ . 1 . 2]" 1
58 1 10 VAL HB 1 64 CYS H . . 5.500 5.299 4.981 5.537 0.037 11 0 "[ . 1 . 2]" 1
59 1 10 VAL MG1 1 11 CYS H . . 3.570 2.248 2.006 2.546 . 0 0 "[ . 1 . 2]" 1
60 1 10 VAL MG1 1 11 CYS HA . . 3.920 3.511 3.347 3.616 . 0 0 "[ . 1 . 2]" 1
61 1 10 VAL MG1 1 11 CYS HB3 . . 4.650 4.540 4.456 4.650 0.000 3 0 "[ . 1 . 2]" 1
62 1 10 VAL MG1 1 12 VAL H . . 4.400 4.279 3.968 4.407 0.007 3 0 "[ . 1 . 2]" 1
63 1 10 VAL MG1 1 12 VAL HB . . 4.280 4.014 3.889 4.271 . 0 0 "[ . 1 . 2]" 1
64 1 10 VAL MG1 1 38 ALA H . . 5.330 4.898 4.602 5.274 . 0 0 "[ . 1 . 2]" 1
65 1 10 VAL MG1 1 38 ALA HA . . 4.200 3.448 3.218 3.940 . 0 0 "[ . 1 . 2]" 1
66 1 10 VAL MG1 1 38 ALA MB . . 3.190 2.073 1.860 2.383 . 0 0 "[ . 1 . 2]" 1
67 1 10 VAL MG1 1 64 CYS H . . 4.010 3.739 3.580 3.935 . 0 0 "[ . 1 . 2]" 1
68 1 10 VAL MG1 1 64 CYS HB2 . . 4.660 4.165 3.390 4.614 . 0 0 "[ . 1 . 2]" 1
69 1 10 VAL MG1 1 64 CYS HB3 . . 4.660 3.086 2.371 4.674 0.014 1 0 "[ . 1 . 2]" 1
70 1 10 VAL MG1 1 65 ARG H . . 4.830 4.153 3.890 4.352 . 0 0 "[ . 1 . 2]" 1
71 1 10 VAL MG1 1 65 ARG HA . . 4.340 2.656 2.475 3.060 . 0 0 "[ . 1 . 2]" 1
72 1 10 VAL MG2 1 11 CYS H . . 3.990 3.915 3.857 3.987 . 0 0 "[ . 1 . 2]" 1
73 1 10 VAL MG2 1 11 CYS HA . . 5.500 5.483 5.459 5.516 0.016 7 0 "[ . 1 . 2]" 1
74 1 10 VAL MG2 1 38 ALA HA . . 4.320 3.838 3.686 4.095 . 0 0 "[ . 1 . 2]" 1
75 1 10 VAL MG2 1 62 SER QB . . 5.340 4.147 3.801 4.642 . 0 0 "[ . 1 . 2]" 1
76 1 10 VAL MG2 1 63 HIS HA . . 5.330 5.183 4.946 5.334 0.004 18 0 "[ . 1 . 2]" 1
77 1 10 VAL MG2 1 64 CYS H . . 3.690 2.713 2.408 3.041 . 0 0 "[ . 1 . 2]" 1
78 1 10 VAL MG2 1 64 CYS HA . . 4.690 4.544 4.149 4.739 0.049 3 0 "[ . 1 . 2]" 1
79 1 10 VAL MG2 1 64 CYS HB2 . . 4.390 3.469 2.400 4.191 . 0 0 "[ . 1 . 2]" 1
80 1 10 VAL MG2 1 64 CYS QB . . 3.800 2.724 2.075 3.812 0.012 3 0 "[ . 1 . 2]" 1
81 1 10 VAL MG2 1 64 CYS HB3 . . 4.390 2.941 2.111 4.380 . 0 0 "[ . 1 . 2]" 1
82 1 10 VAL MG2 1 65 ARG HA . . 4.830 4.655 4.426 4.833 0.003 4 0 "[ . 1 . 2]" 1
83 1 11 CYS H 1 11 CYS HB2 . . 3.930 3.128 3.068 3.169 . 0 0 "[ . 1 . 2]" 1
84 1 11 CYS H 1 11 CYS HB3 . . 3.800 2.759 2.652 2.830 . 0 0 "[ . 1 . 2]" 1
85 1 11 CYS H 1 12 VAL H . . 4.580 4.357 4.228 4.446 . 0 0 "[ . 1 . 2]" 1
86 1 11 CYS H 1 38 ALA MB . . 4.520 4.339 4.004 4.534 0.014 17 0 "[ . 1 . 2]" 1
87 1 11 CYS H 1 39 PHE H . . 4.870 4.644 4.554 4.799 . 0 0 "[ . 1 . 2]" 1
88 1 11 CYS H 1 39 PHE QD . . 5.500 5.523 5.494 5.549 0.049 19 0 "[ . 1 . 2]" 1
89 1 11 CYS H 1 39 PHE HZ . . 5.500 5.171 5.051 5.315 . 0 0 "[ . 1 . 2]" 1
90 1 11 CYS H 1 62 SER QB . . 4.230 3.348 2.984 3.790 . 0 0 "[ . 1 . 2]" 1
91 1 11 CYS H 1 64 CYS H . . 4.750 4.250 3.869 4.606 . 0 0 "[ . 1 . 2]" 1
92 1 11 CYS H 1 65 ARG H . . 5.030 4.988 4.873 5.048 0.018 2 0 "[ . 1 . 2]" 1
93 1 11 CYS H 1 65 ARG HA . . 3.740 2.710 2.399 2.895 . 0 0 "[ . 1 . 2]" 1
94 1 11 CYS H 1 65 ARG QB . . 5.340 3.881 3.547 4.158 . 0 0 "[ . 1 . 2]" 1
95 1 11 CYS H 1 65 ARG QD . . 4.870 3.850 2.916 4.665 . 0 0 "[ . 1 . 2]" 1
96 1 11 CYS H 1 65 ARG QG . . 3.900 2.441 1.984 3.010 . 0 0 "[ . 1 . 2]" 1
97 1 11 CYS H 1 66 VAL H . . 4.640 4.264 3.750 4.609 . 0 0 "[ . 1 . 2]" 1
98 1 11 CYS HA 1 12 VAL H . . 3.200 2.192 2.145 2.227 . 0 0 "[ . 1 . 2]" 1
99 1 11 CYS HA 1 12 VAL QG . . 3.730 3.550 3.394 3.652 . 0 0 "[ . 1 . 2]" 1
100 1 11 CYS HA 1 26 VAL QG . . 5.440 5.393 4.809 5.464 0.024 3 0 "[ . 1 . 2]" 1
101 1 11 CYS HA 1 39 PHE H . . 3.540 2.620 2.501 2.737 . 0 0 "[ . 1 . 2]" 1
102 1 11 CYS HA 1 39 PHE HA . . 4.920 4.815 4.718 4.920 . 0 0 "[ . 1 . 2]" 1
103 1 11 CYS HA 1 39 PHE QB . . 5.300 4.526 4.422 4.660 . 0 0 "[ . 1 . 2]" 1
104 1 11 CYS HA 1 65 ARG QG . . 5.340 4.586 3.927 5.344 0.004 9 0 "[ . 1 . 2]" 1
105 1 11 CYS HB2 1 12 VAL H . . 4.340 4.157 4.060 4.316 . 0 0 "[ . 1 . 2]" 1
106 1 11 CYS HB2 1 39 PHE H . . 4.530 4.327 4.152 4.485 . 0 0 "[ . 1 . 2]" 1
107 1 11 CYS HB3 1 12 VAL H . . 4.530 4.021 3.930 4.177 . 0 0 "[ . 1 . 2]" 1
108 1 11 CYS HB3 1 39 PHE H . . 5.500 5.439 5.315 5.516 0.016 8 0 "[ . 1 . 2]" 1
109 1 11 CYS HB3 1 65 ARG QG . . 4.280 2.669 2.096 3.602 . 0 0 "[ . 1 . 2]" 1
110 1 11 CYS HB3 1 66 VAL H . . 5.420 5.212 4.621 5.443 0.023 19 0 "[ . 1 . 2]" 1
111 1 12 VAL H 1 12 VAL HB . . 3.770 3.115 2.917 3.222 . 0 0 "[ . 1 . 2]" 1
112 1 12 VAL H 1 12 VAL MG1 . . 3.900 1.923 1.905 1.964 . 0 0 "[ . 1 . 2]" 1
113 1 12 VAL H 1 12 VAL QG . . 3.260 1.918 1.900 1.958 . 0 0 "[ . 1 . 2]" 1
114 1 12 VAL H 1 12 VAL MG2 . . 3.900 3.813 3.778 3.845 . 0 0 "[ . 1 . 2]" 1
115 1 12 VAL H 1 13 CYS H . . 4.520 4.202 3.949 4.468 . 0 0 "[ . 1 . 2]" 1
116 1 12 VAL H 1 38 ALA MB . . 5.070 4.290 3.818 4.569 . 0 0 "[ . 1 . 2]" 1
117 1 12 VAL H 1 39 PHE H . . 4.240 3.956 3.619 4.210 . 0 0 "[ . 1 . 2]" 1
118 1 12 VAL H 1 39 PHE QD . . 5.230 4.682 4.442 4.995 . 0 0 "[ . 1 . 2]" 1
119 1 12 VAL HA 1 13 CYS H . . 3.310 2.171 2.141 2.215 . 0 0 "[ . 1 . 2]" 1
120 1 12 VAL HA 1 65 ARG HA . . 4.580 3.915 3.519 4.256 . 0 0 "[ . 1 . 2]" 1
121 1 12 VAL HA 1 66 VAL H . . 3.970 2.397 2.076 2.762 . 0 0 "[ . 1 . 2]" 1
122 1 12 VAL HA 1 66 VAL HA . . 4.820 4.702 4.468 4.861 0.041 16 0 "[ . 1 . 2]" 1
123 1 12 VAL HA 1 66 VAL HB . . 4.370 3.167 2.555 3.542 . 0 0 "[ . 1 . 2]" 1
124 1 12 VAL HB 1 13 CYS H . . 4.500 4.313 4.111 4.453 . 0 0 "[ . 1 . 2]" 1
125 1 12 VAL HB 1 38 ALA MB . . 4.630 4.136 3.899 4.457 . 0 0 "[ . 1 . 2]" 1
126 1 12 VAL HB 1 66 VAL HB . . 4.630 2.824 2.472 2.970 . 0 0 "[ . 1 . 2]" 1
127 1 12 VAL HB 1 66 VAL MG2 . . 3.790 3.389 2.789 3.756 . 0 0 "[ . 1 . 2]" 1
128 1 12 VAL QG 1 13 CYS H . . 3.350 2.766 2.197 3.226 . 0 0 "[ . 1 . 2]" 1
129 1 12 VAL QG 1 14 HIS H . . 3.980 3.621 3.367 3.811 . 0 0 "[ . 1 . 2]" 1
130 1 12 VAL QG 1 14 HIS HA . . 5.130 4.584 4.489 4.699 . 0 0 "[ . 1 . 2]" 1
131 1 12 VAL QG 1 14 HIS QB . . 5.080 2.777 2.602 2.939 . 0 0 "[ . 1 . 2]" 1
132 1 12 VAL QG 1 14 HIS HE1 . . 3.890 3.834 3.387 3.907 0.017 18 0 "[ . 1 . 2]" 1
133 1 12 VAL QG 1 26 VAL HB . . 4.430 3.374 3.073 3.881 . 0 0 "[ . 1 . 2]" 1
134 1 12 VAL QG 1 38 ALA MB . . 4.140 3.458 3.038 3.836 . 0 0 "[ . 1 . 2]" 1
135 1 12 VAL QG 1 39 PHE H . . 4.390 4.121 3.800 4.392 0.002 2 0 "[ . 1 . 2]" 1
136 1 12 VAL QG 1 40 LEU H . . 3.900 3.701 3.486 3.907 0.007 3 0 "[ . 1 . 2]" 1
137 1 12 VAL QG 1 66 VAL H . . 4.180 3.571 3.206 3.979 . 0 0 "[ . 1 . 2]" 1
138 1 12 VAL QG 1 66 VAL HB . . 3.370 2.367 1.968 2.754 . 0 0 "[ . 1 . 2]" 1
139 1 12 VAL MG1 1 13 CYS H . . 4.370 4.149 3.974 4.220 . 0 0 "[ . 1 . 2]" 1
140 1 12 VAL MG1 1 14 HIS H . . 4.830 4.580 4.229 4.808 . 0 0 "[ . 1 . 2]" 1
141 1 12 VAL MG1 1 14 HIS HE1 . . 4.570 4.300 3.732 4.570 . 11 0 "[ . 1 . 2]" 1
142 1 12 VAL MG1 1 66 VAL HB . . 4.320 4.291 4.067 4.354 0.034 4 0 "[ . 1 . 2]" 1
143 1 12 VAL MG2 1 13 CYS H . . 4.370 2.819 2.208 3.349 . 0 0 "[ . 1 . 2]" 1
144 1 12 VAL MG2 1 14 HIS H . . 4.830 3.797 3.488 3.997 . 0 0 "[ . 1 . 2]" 1
145 1 12 VAL MG2 1 14 HIS HE1 . . 4.570 4.321 3.881 4.566 . 0 0 "[ . 1 . 2]" 1
146 1 12 VAL MG2 1 66 VAL HB . . 4.320 2.381 1.971 2.785 . 0 0 "[ . 1 . 2]" 1
147 1 13 CYS H 1 13 CYS HB2 . . 3.940 2.913 2.168 3.709 . 0 0 "[ . 1 . 2]" 1
148 1 13 CYS H 1 13 CYS HB3 . . 3.940 2.960 2.391 3.664 . 0 0 "[ . 1 . 2]" 1
149 1 13 CYS H 1 65 ARG HA . . 5.440 5.143 4.698 5.438 . 0 0 "[ . 1 . 2]" 1
150 1 13 CYS H 1 66 VAL H . . 4.190 3.771 3.257 4.198 0.008 4 0 "[ . 1 . 2]" 1
151 1 13 CYS H 1 66 VAL HB . . 4.960 4.557 3.875 4.967 0.007 7 0 "[ . 1 . 2]" 1
152 1 13 CYS H 1 68 LEU H . . 5.260 4.958 4.570 5.273 0.013 20 0 "[ . 1 . 2]" 1
153 1 13 CYS HA 1 14 HIS H . . 3.400 2.151 2.141 2.169 . 0 0 "[ . 1 . 2]" 1
154 1 13 CYS QB 1 67 LEU QD . . 4.220 2.471 1.757 3.580 . 0 0 "[ . 1 . 2]" 1
155 1 13 CYS HB2 1 14 HIS H . . 4.600 4.242 3.558 4.572 . 0 0 "[ . 1 . 2]" 1
156 1 13 CYS HB3 1 14 HIS H . . 4.600 4.184 3.618 4.414 . 0 0 "[ . 1 . 2]" 1
157 1 14 HIS HA 1 42 LEU QD . . 5.440 4.894 4.598 5.376 . 0 0 "[ . 1 . 2]" 1
158 1 14 HIS HA 1 68 LEU H . . 4.620 3.596 3.283 4.017 . 0 0 "[ . 1 . 2]" 1
159 1 14 HIS HA 1 68 LEU MD1 . . 5.500 4.932 4.584 5.146 . 0 0 "[ . 1 . 2]" 1
160 1 14 HIS HA 1 68 LEU MD2 . . 4.830 4.490 4.139 4.616 . 0 0 "[ . 1 . 2]" 1
161 1 14 HIS QB 1 15 SER H . . 4.080 2.401 2.362 2.428 . 0 0 "[ . 1 . 2]" 1
162 1 14 HIS QB 1 68 LEU H . . 4.040 2.743 2.551 2.980 . 0 0 "[ . 1 . 2]" 1
163 1 14 HIS QB 1 68 LEU MD1 . . 3.860 2.795 2.499 2.982 . 0 0 "[ . 1 . 2]" 1
164 1 14 HIS QB 1 68 LEU MD2 . . 4.330 2.454 2.018 2.706 . 0 0 "[ . 1 . 2]" 1
165 1 14 HIS HB2 1 15 SER H . . 4.710 2.426 2.385 2.455 . 0 0 "[ . 1 . 2]" 1
166 1 14 HIS HB2 1 68 LEU H . . 4.880 3.309 2.968 3.660 . 0 0 "[ . 1 . 2]" 1
167 1 14 HIS HB2 1 68 LEU MD1 . . 4.430 2.997 2.604 3.227 . 0 0 "[ . 1 . 2]" 1
168 1 14 HIS HB3 1 15 SER H . . 4.710 3.839 3.816 3.851 . 0 0 "[ . 1 . 2]" 1
169 1 14 HIS HB3 1 68 LEU H . . 4.880 2.935 2.759 3.156 . 0 0 "[ . 1 . 2]" 1
170 1 14 HIS HB3 1 68 LEU MD1 . . 4.430 3.356 3.174 3.509 . 0 0 "[ . 1 . 2]" 1
171 1 14 HIS HD2 1 18 ASP HB3 . . 4.240 2.142 2.022 2.227 . 0 0 "[ . 1 . 2]" 1
172 1 14 HIS HD2 1 68 LEU MD1 . . 3.940 2.275 2.028 2.775 . 0 0 "[ . 1 . 2]" 1
173 1 14 HIS HD2 1 68 LEU MD2 . . 4.140 4.126 3.893 4.168 0.028 19 0 "[ . 1 . 2]" 1
174 1 14 HIS HE1 1 16 GLU HA . . 4.620 4.158 3.925 4.419 . 0 0 "[ . 1 . 2]" 1
175 1 14 HIS HE1 1 19 LEU HA . . 3.920 2.572 2.355 2.938 . 0 0 "[ . 1 . 2]" 1
176 1 14 HIS HE1 1 19 LEU HB3 . . 5.040 4.369 3.995 4.755 . 0 0 "[ . 1 . 2]" 1
177 1 14 HIS HE1 1 42 LEU QB . . 5.340 4.593 3.910 5.342 0.002 12 0 "[ . 1 . 2]" 1
178 1 14 HIS HE1 1 42 LEU MD1 . . 4.020 2.337 1.974 2.604 . 0 0 "[ . 1 . 2]" 1
179 1 14 HIS HE1 1 42 LEU QD . . 3.050 2.310 1.937 2.573 . 0 0 "[ . 1 . 2]" 1
180 1 14 HIS HE1 1 42 LEU MD2 . . 4.020 3.770 2.478 4.025 0.005 15 0 "[ . 1 . 2]" 1
181 1 15 SER H 1 18 ASP H . . 4.880 4.696 4.530 4.849 . 0 0 "[ . 1 . 2]" 1
182 1 15 SER H 1 18 ASP HB2 . . 4.860 4.295 4.166 4.579 . 0 0 "[ . 1 . 2]" 1
183 1 15 SER H 1 18 ASP HB3 . . 5.500 5.508 5.481 5.520 0.020 16 0 "[ . 1 . 2]" 1
184 1 15 SER H 1 68 LEU H . . 5.500 5.149 4.769 5.536 0.036 18 0 "[ . 1 . 2]" 1
185 1 15 SER H 1 68 LEU MD1 . . 4.900 4.663 4.173 4.909 0.009 18 0 "[ . 1 . 2]" 1
186 1 15 SER H 1 68 LEU MD2 . . 5.500 5.488 5.164 5.541 0.041 20 0 "[ . 1 . 2]" 1
187 1 16 GLU HA 1 18 ASP H . . 4.000 3.382 3.284 3.429 . 0 0 "[ . 1 . 2]" 1
188 1 16 GLU HA 1 19 LEU H . . 3.980 3.262 3.173 3.332 . 0 0 "[ . 1 . 2]" 1
189 1 16 GLU HA 1 19 LEU HB3 . . 4.550 2.638 2.487 2.767 . 0 0 "[ . 1 . 2]" 1
190 1 16 GLU HA 1 42 LEU QD . . 4.250 2.141 1.804 2.893 . 0 0 "[ . 1 . 2]" 1
191 1 16 GLU QB 1 17 GLU H . . 4.190 3.389 3.098 3.756 . 0 0 "[ . 1 . 2]" 1
192 1 16 GLU QB 1 19 LEU H . . 4.780 4.529 4.238 4.790 0.010 16 0 "[ . 1 . 2]" 1
193 1 16 GLU QB 1 19 LEU MD2 . . 4.610 3.945 2.672 4.432 . 0 0 "[ . 1 . 2]" 1
194 1 16 GLU QB 1 42 LEU QD . . 4.440 2.144 1.796 3.542 . 0 0 "[ . 1 . 2]" 1
195 1 17 GLU H 1 18 ASP H . . 4.000 2.606 2.576 2.637 . 0 0 "[ . 1 . 2]" 1
196 1 17 GLU HA 1 17 GLU HG2 . . 3.920 3.213 2.309 3.938 0.018 4 0 "[ . 1 . 2]" 1
197 1 17 GLU HA 1 17 GLU HG3 . . 3.920 3.172 2.299 3.814 . 0 0 "[ . 1 . 2]" 1
198 1 17 GLU HA 1 19 LEU H . . 4.330 4.014 3.977 4.080 . 0 0 "[ . 1 . 2]" 1
199 1 17 GLU QB 1 17 GLU QG . . 2.270 2.025 1.966 2.087 . 0 0 "[ . 1 . 2]" 1
200 1 17 GLU QB 1 18 ASP H . . 4.280 3.154 3.059 3.741 . 0 0 "[ . 1 . 2]" 1
201 1 17 GLU QG 1 18 ASP H . . 4.340 4.147 2.575 4.336 . 0 0 "[ . 1 . 2]" 1
202 1 18 ASP H 1 18 ASP HB2 . . 3.320 2.536 2.492 2.586 . 0 0 "[ . 1 . 2]" 1
203 1 18 ASP H 1 18 ASP HB3 . . 3.630 3.532 3.433 3.619 . 0 0 "[ . 1 . 2]" 1
204 1 18 ASP H 1 19 LEU H . . 3.090 2.343 2.172 2.385 . 0 0 "[ . 1 . 2]" 1
205 1 18 ASP H 1 19 LEU HA . . 4.220 4.177 4.133 4.214 . 0 0 "[ . 1 . 2]" 1
206 1 18 ASP H 1 19 LEU HB3 . . 4.130 4.100 4.022 4.142 0.012 1 0 "[ . 1 . 2]" 1
207 1 18 ASP H 1 19 LEU MD2 . . 4.060 3.859 3.804 4.155 0.095 12 0 "[ . 1 . 2]" 1
208 1 18 ASP H 1 20 VAL H . . 4.790 4.724 4.592 4.758 . 0 0 "[ . 1 . 2]" 1
209 1 18 ASP H 1 21 ALA MB . . 5.260 4.999 4.885 5.095 . 0 0 "[ . 1 . 2]" 1
210 1 18 ASP H 1 22 ALA H . . 5.500 5.565 5.528 5.604 0.104 19 0 "[ . 1 . 2]" 1
211 1 18 ASP HA 1 19 LEU H . . 3.330 2.966 2.938 3.022 . 0 0 "[ . 1 . 2]" 1
212 1 18 ASP HA 1 20 VAL H . . 4.040 3.287 3.253 3.324 . 0 0 "[ . 1 . 2]" 1
213 1 18 ASP HA 1 21 ALA H . . 3.750 3.149 3.104 3.177 . 0 0 "[ . 1 . 2]" 1
214 1 18 ASP HA 1 21 ALA MB . . 3.990 3.160 2.953 3.302 . 0 0 "[ . 1 . 2]" 1
215 1 18 ASP HA 1 22 ALA H . . 4.770 4.639 4.489 4.699 . 0 0 "[ . 1 . 2]" 1
216 1 18 ASP HA 1 68 LEU MD1 . . 5.070 4.957 4.521 5.085 0.015 9 0 "[ . 1 . 2]" 1
217 1 18 ASP HB2 1 19 LEU H . . 4.510 4.173 4.071 4.250 . 0 0 "[ . 1 . 2]" 1
218 1 18 ASP HB2 1 20 VAL H . . 5.500 5.539 5.521 5.563 0.063 18 0 "[ . 1 . 2]" 1
219 1 18 ASP HB2 1 22 ALA H . . 4.940 4.714 4.614 4.832 . 0 0 "[ . 1 . 2]" 1
220 1 18 ASP HB2 1 68 LEU MD1 . . 4.640 3.197 2.520 3.439 . 0 0 "[ . 1 . 2]" 1
221 1 18 ASP HB3 1 19 LEU H . . 4.290 4.235 4.183 4.260 . 0 0 "[ . 1 . 2]" 1
222 1 18 ASP HB3 1 19 LEU HA . . 4.680 4.686 4.607 4.721 0.041 20 0 "[ . 1 . 2]" 1
223 1 18 ASP HB3 1 20 VAL H . . 4.790 4.729 4.673 4.794 0.004 12 0 "[ . 1 . 2]" 1
224 1 18 ASP HB3 1 21 ALA H . . 4.020 3.455 3.383 3.579 . 0 0 "[ . 1 . 2]" 1
225 1 18 ASP HB3 1 21 ALA MB . . 4.020 2.231 2.003 2.548 . 0 0 "[ . 1 . 2]" 1
226 1 18 ASP HB3 1 22 ALA H . . 4.210 3.126 3.012 3.195 . 0 0 "[ . 1 . 2]" 1
227 1 18 ASP HB3 1 68 LEU MD1 . . 4.830 2.660 2.316 2.834 . 0 0 "[ . 1 . 2]" 1
228 1 19 LEU H 1 19 LEU HB3 . . 2.670 2.268 2.245 2.392 . 0 0 "[ . 1 . 2]" 1
229 1 19 LEU H 1 19 LEU MD2 . . 3.000 2.073 2.014 2.830 . 0 0 "[ . 1 . 2]" 1
230 1 19 LEU H 1 19 LEU HG . . 3.810 3.627 2.674 3.716 . 0 0 "[ . 1 . 2]" 1
231 1 19 LEU H 1 20 VAL H . . 3.490 2.782 2.774 2.797 . 0 0 "[ . 1 . 2]" 1
232 1 19 LEU H 1 20 VAL QG . . 4.490 4.100 3.915 4.210 . 0 0 "[ . 1 . 2]" 1
233 1 19 LEU H 1 21 ALA H . . 4.650 4.238 4.182 4.348 . 0 0 "[ . 1 . 2]" 1
234 1 19 LEU H 1 22 ALA H . . 5.240 4.999 4.923 5.056 . 0 0 "[ . 1 . 2]" 1
235 1 19 LEU H 1 42 LEU QD . . 4.750 4.101 3.874 4.506 . 0 0 "[ . 1 . 2]" 1
236 1 19 LEU HA 1 19 LEU HG . . 4.250 3.647 3.638 3.657 . 0 0 "[ . 1 . 2]" 1
237 1 19 LEU HA 1 22 ALA H . . 4.530 3.824 3.737 3.909 . 0 0 "[ . 1 . 2]" 1
238 1 19 LEU HA 1 42 LEU MD1 . . 4.090 3.504 3.417 3.925 . 0 0 "[ . 1 . 2]" 1
239 1 19 LEU HA 1 42 LEU QD . . 3.280 3.271 3.161 3.290 0.010 14 0 "[ . 1 . 2]" 1
240 1 19 LEU HA 1 42 LEU MD2 . . 4.090 3.969 3.521 4.105 0.015 11 0 "[ . 1 . 2]" 1
241 1 19 LEU HB3 1 19 LEU MD2 . . 3.550 2.258 1.900 2.290 . 0 0 "[ . 1 . 2]" 1
242 1 19 LEU HB3 1 20 VAL H . . 3.910 3.834 3.811 3.941 0.031 12 0 "[ . 1 . 2]" 1
243 1 19 LEU HG 1 20 VAL H . . 3.600 2.555 2.014 2.663 . 0 0 "[ . 1 . 2]" 1
244 1 19 LEU HG 1 20 VAL HA . . 4.450 3.171 3.124 3.785 . 0 0 "[ . 1 . 2]" 1
245 1 20 VAL H 1 20 VAL HB . . 2.880 2.524 2.503 2.618 . 0 0 "[ . 1 . 2]" 1
246 1 20 VAL H 1 20 VAL QG . . 2.780 2.221 2.019 2.368 . 0 0 "[ . 1 . 2]" 1
247 1 20 VAL H 1 21 ALA H . . 3.150 2.475 2.458 2.515 . 0 0 "[ . 1 . 2]" 1
248 1 20 VAL H 1 21 ALA HA . . 5.250 5.117 5.103 5.148 . 0 0 "[ . 1 . 2]" 1
249 1 20 VAL H 1 21 ALA MB . . 4.280 4.117 4.053 4.183 . 0 0 "[ . 1 . 2]" 1
250 1 20 VAL H 1 22 ALA H . . 4.350 4.307 4.190 4.367 0.017 19 0 "[ . 1 . 2]" 1
251 1 20 VAL H 1 22 ALA MB . . 5.200 4.986 4.852 5.059 . 0 0 "[ . 1 . 2]" 1
252 1 20 VAL H 1 23 GLN HB3 . . 5.400 5.168 5.087 5.258 . 0 0 "[ . 1 . 2]" 1
253 1 20 VAL H 1 23 GLN HG2 . . 5.500 5.371 5.101 5.521 0.021 10 0 "[ . 1 . 2]" 1
254 1 20 VAL HA 1 20 VAL MG1 . . 3.080 2.351 2.259 2.402 . 0 0 "[ . 1 . 2]" 1
255 1 20 VAL HA 1 20 VAL MG2 . . 3.080 2.357 2.283 2.439 . 0 0 "[ . 1 . 2]" 1
256 1 20 VAL HA 1 21 ALA MB . . 5.200 5.008 4.991 5.025 . 0 0 "[ . 1 . 2]" 1
257 1 20 VAL HA 1 22 ALA H . . 5.020 4.803 4.719 4.856 . 0 0 "[ . 1 . 2]" 1
258 1 20 VAL HA 1 23 GLN H . . 3.870 3.792 3.637 3.878 0.008 12 0 "[ . 1 . 2]" 1
259 1 20 VAL HA 1 23 GLN HB3 . . 4.560 3.322 3.156 3.533 . 0 0 "[ . 1 . 2]" 1
260 1 20 VAL HA 1 23 GLN HG3 . . 4.670 4.307 4.087 4.467 . 0 0 "[ . 1 . 2]" 1
261 1 20 VAL HA 1 24 ASP H . . 4.390 4.317 4.155 4.405 0.015 7 0 "[ . 1 . 2]" 1
262 1 20 VAL HB 1 21 ALA H . . 3.030 2.732 2.559 2.801 . 0 0 "[ . 1 . 2]" 1
263 1 20 VAL HB 1 21 ALA MB . . 4.130 3.980 3.865 4.053 . 0 0 "[ . 1 . 2]" 1
264 1 20 VAL QG 1 21 ALA H . . 3.310 3.289 3.228 3.342 0.032 12 0 "[ . 1 . 2]" 1
265 1 20 VAL QG 1 21 ALA MB . . 4.960 3.972 3.948 4.079 . 0 0 "[ . 1 . 2]" 1
266 1 20 VAL MG1 1 21 ALA H . . 3.990 3.577 3.508 3.772 . 0 0 "[ . 1 . 2]" 1
267 1 20 VAL MG2 1 21 ALA H . . 3.990 3.843 3.704 3.908 . 0 0 "[ . 1 . 2]" 1
268 1 21 ALA H 1 21 ALA MB . . 2.700 2.132 2.039 2.240 . 0 0 "[ . 1 . 2]" 1
269 1 21 ALA H 1 22 ALA H . . 3.150 2.719 2.652 2.797 . 0 0 "[ . 1 . 2]" 1
270 1 21 ALA H 1 23 GLN H . . 4.410 4.152 3.978 4.293 . 0 0 "[ . 1 . 2]" 1
271 1 21 ALA H 1 24 ASP H . . 4.750 4.646 4.495 4.752 0.002 4 0 "[ . 1 . 2]" 1
272 1 21 ALA HA 1 23 GLN H . . 4.740 4.592 4.245 4.747 0.007 4 0 "[ . 1 . 2]" 1
273 1 21 ALA HA 1 24 ASP H . . 3.730 3.479 3.287 3.630 . 0 0 "[ . 1 . 2]" 1
274 1 21 ALA HA 1 24 ASP HB2 . . 4.000 3.240 2.966 3.533 . 0 0 "[ . 1 . 2]" 1
275 1 21 ALA HA 1 24 ASP QB . . 3.400 2.632 2.316 2.840 . 0 0 "[ . 1 . 2]" 1
276 1 21 ALA HA 1 24 ASP HB3 . . 4.000 2.844 2.352 3.137 . 0 0 "[ . 1 . 2]" 1
277 1 21 ALA MB 1 22 ALA H . . 3.080 2.383 2.242 2.546 . 0 0 "[ . 1 . 2]" 1
278 1 21 ALA MB 1 23 GLN H . . 4.720 4.508 4.335 4.618 . 0 0 "[ . 1 . 2]" 1
279 1 21 ALA MB 1 24 ASP H . . 4.720 4.457 4.358 4.551 . 0 0 "[ . 1 . 2]" 1
280 1 21 ALA MB 1 24 ASP QB . . 4.210 3.879 3.764 3.992 . 0 0 "[ . 1 . 2]" 1
281 1 21 ALA MB 1 25 LEU H . . 5.500 4.741 4.374 5.083 . 0 0 "[ . 1 . 2]" 1
282 1 21 ALA MB 1 68 LEU MD1 . . 3.220 2.708 2.500 2.955 . 0 0 "[ . 1 . 2]" 1
283 1 22 ALA H 1 23 GLN H . . 3.320 2.811 2.711 2.859 . 0 0 "[ . 1 . 2]" 1
284 1 22 ALA H 1 24 ASP QB . . 4.960 4.790 4.717 4.896 . 0 0 "[ . 1 . 2]" 1
285 1 22 ALA HA 1 23 GLN HA . . 4.860 4.777 4.708 4.821 . 0 0 "[ . 1 . 2]" 1
286 1 22 ALA HA 1 26 VAL H . . 4.940 4.227 3.830 4.704 . 0 0 "[ . 1 . 2]" 1
287 1 22 ALA HA 1 26 VAL QG . . 5.360 4.620 4.343 4.925 . 0 0 "[ . 1 . 2]" 1
288 1 22 ALA HA 1 68 LEU MD1 . . 3.440 3.192 2.290 3.440 0.000 5 0 "[ . 1 . 2]" 1
289 1 22 ALA HA 1 68 LEU MD2 . . 3.430 3.387 3.006 3.447 0.017 20 0 "[ . 1 . 2]" 1
290 1 22 ALA MB 1 26 VAL H . . 5.150 4.632 4.402 4.857 . 0 0 "[ . 1 . 2]" 1
291 1 22 ALA MB 1 68 LEU MD1 . . 3.030 2.769 2.190 3.032 0.002 17 0 "[ . 1 . 2]" 1
292 1 22 ALA MB 1 68 LEU MD2 . . 3.690 3.128 2.612 3.329 . 0 0 "[ . 1 . 2]" 1
293 1 23 GLN H 1 23 GLN HB2 . . 3.470 3.445 3.398 3.475 0.005 12 0 "[ . 1 . 2]" 1
294 1 23 GLN H 1 23 GLN HB3 . . 4.030 2.136 2.096 2.171 . 0 0 "[ . 1 . 2]" 1
295 1 23 GLN H 1 23 GLN HG2 . . 4.210 3.094 2.956 3.217 . 0 0 "[ . 1 . 2]" 1
296 1 23 GLN H 1 23 GLN HG3 . . 4.430 4.144 4.063 4.216 . 0 0 "[ . 1 . 2]" 1
297 1 23 GLN H 1 24 ASP HA . . 5.470 5.214 5.068 5.301 . 0 0 "[ . 1 . 2]" 1
298 1 23 GLN H 1 24 ASP HB2 . . 5.280 4.893 4.707 5.011 . 0 0 "[ . 1 . 2]" 1
299 1 23 GLN H 1 24 ASP QB . . 4.510 4.375 4.195 4.482 . 0 0 "[ . 1 . 2]" 1
300 1 23 GLN H 1 24 ASP HB3 . . 5.280 4.960 4.520 5.223 . 0 0 "[ . 1 . 2]" 1
301 1 23 GLN HA 1 23 GLN HG2 . . 3.920 3.746 3.734 3.758 . 0 0 "[ . 1 . 2]" 1
302 1 23 GLN HA 1 23 GLN HG3 . . 3.870 3.472 3.386 3.543 . 0 0 "[ . 1 . 2]" 1
303 1 23 GLN HA 1 24 ASP HA . . 5.020 4.748 4.726 4.783 . 0 0 "[ . 1 . 2]" 1
304 1 23 GLN HA 1 26 VAL H . . 3.760 3.569 3.417 3.691 . 0 0 "[ . 1 . 2]" 1
305 1 23 GLN HA 1 26 VAL HB . . 4.120 3.838 3.579 4.032 . 0 0 "[ . 1 . 2]" 1
306 1 23 GLN HA 1 26 VAL MG1 . . 4.680 1.877 1.840 1.918 . 0 0 "[ . 1 . 2]" 1
307 1 23 GLN HA 1 26 VAL QG . . 3.270 1.875 1.838 1.916 . 0 0 "[ . 1 . 2]" 1
308 1 23 GLN HA 1 26 VAL MG2 . . 4.680 4.374 4.248 4.533 . 0 0 "[ . 1 . 2]" 1
309 1 23 GLN HA 1 27 SER H . . 4.230 4.052 3.848 4.213 . 0 0 "[ . 1 . 2]" 1
310 1 23 GLN HB2 1 24 ASP H . . 4.350 4.244 4.208 4.281 . 0 0 "[ . 1 . 2]" 1
311 1 23 GLN HB2 1 26 VAL QG . . 3.830 3.347 3.221 3.437 . 0 0 "[ . 1 . 2]" 1
312 1 23 GLN HB3 1 24 ASP H . . 3.680 3.626 3.535 3.702 0.022 12 0 "[ . 1 . 2]" 1
313 1 23 GLN HB3 1 26 VAL QG . . 4.210 4.095 4.040 4.163 . 0 0 "[ . 1 . 2]" 1
314 1 23 GLN HG2 1 24 ASP H . . 3.380 2.478 2.417 2.568 . 0 0 "[ . 1 . 2]" 1
315 1 23 GLN HG3 1 26 VAL QG . . 3.880 3.974 3.955 4.012 0.132 10 0 "[ . 1 . 2]" 1
316 1 24 ASP H 1 24 ASP HB2 . . 3.260 2.541 2.373 2.799 . 0 0 "[ . 1 . 2]" 1
317 1 24 ASP H 1 24 ASP QB . . 2.820 2.254 2.228 2.279 . 0 0 "[ . 1 . 2]" 1
318 1 24 ASP H 1 24 ASP HB3 . . 3.260 2.567 2.340 2.732 . 0 0 "[ . 1 . 2]" 1
319 1 24 ASP H 1 25 LEU H . . 3.330 2.538 2.490 2.591 . 0 0 "[ . 1 . 2]" 1
320 1 24 ASP H 1 26 VAL H . . 4.360 4.090 3.882 4.314 . 0 0 "[ . 1 . 2]" 1
321 1 24 ASP HA 1 26 VAL H . . 4.800 4.585 4.503 4.764 . 0 0 "[ . 1 . 2]" 1
322 1 24 ASP HA 1 26 VAL QG . . 4.630 4.199 4.084 4.412 . 0 0 "[ . 1 . 2]" 1
323 1 24 ASP HA 1 27 SER H . . 3.900 3.562 3.450 3.669 . 0 0 "[ . 1 . 2]" 1
324 1 24 ASP HA 1 27 SER HB2 . . 4.120 3.298 2.765 3.739 . 0 0 "[ . 1 . 2]" 1
325 1 24 ASP HA 1 27 SER HB3 . . 4.120 2.843 2.470 3.107 . 0 0 "[ . 1 . 2]" 1
326 1 24 ASP HA 1 28 TYR H . . 5.470 4.878 4.673 5.170 . 0 0 "[ . 1 . 2]" 1
327 1 24 ASP QB 1 25 LEU H . . 3.430 2.610 2.491 2.771 . 0 0 "[ . 1 . 2]" 1
328 1 24 ASP QB 1 26 VAL H . . 5.340 4.810 4.654 4.975 . 0 0 "[ . 1 . 2]" 1
329 1 24 ASP HB2 1 25 LEU H . . 4.080 3.855 3.683 3.963 . 0 0 "[ . 1 . 2]" 1
330 1 24 ASP HB3 1 25 LEU H . . 4.080 2.655 2.527 2.838 . 0 0 "[ . 1 . 2]" 1
331 1 25 LEU H 1 25 LEU QB . . 3.050 2.341 2.096 2.678 . 0 0 "[ . 1 . 2]" 1
332 1 25 LEU H 1 26 VAL HB . . 5.080 4.970 4.728 5.108 0.028 12 0 "[ . 1 . 2]" 1
333 1 25 LEU H 1 27 SER H . . 4.500 3.909 3.719 3.964 . 0 0 "[ . 1 . 2]" 1
334 1 25 LEU H 1 28 TYR QD . . 4.720 4.530 4.460 4.584 . 0 0 "[ . 1 . 2]" 1
335 1 25 LEU H 1 28 TYR QE . . 5.500 5.497 5.438 5.524 0.024 4 0 "[ . 1 . 2]" 1
336 1 25 LEU HA 1 28 TYR H . . 3.930 3.721 3.568 3.860 . 0 0 "[ . 1 . 2]" 1
337 1 25 LEU HA 1 28 TYR QD . . 4.340 2.322 2.220 2.463 . 0 0 "[ . 1 . 2]" 1
338 1 25 LEU HA 1 29 LEU QD . . 4.660 4.110 3.866 4.414 . 0 0 "[ . 1 . 2]" 1
339 1 25 LEU QB 1 29 LEU QD . . 5.140 3.715 3.339 4.256 . 0 0 "[ . 1 . 2]" 1
340 1 26 VAL H 1 26 VAL HB . . 3.170 2.515 2.391 2.632 . 0 0 "[ . 1 . 2]" 1
341 1 26 VAL H 1 26 VAL QG . . 2.860 2.104 1.912 2.313 . 0 0 "[ . 1 . 2]" 1
342 1 26 VAL H 1 27 SER H . . 3.250 2.571 2.552 2.606 . 0 0 "[ . 1 . 2]" 1
343 1 26 VAL H 1 27 SER QB . . 4.720 4.320 4.286 4.370 . 0 0 "[ . 1 . 2]" 1
344 1 26 VAL H 1 28 TYR H . . 4.310 4.154 4.118 4.194 . 0 0 "[ . 1 . 2]" 1
345 1 26 VAL H 1 28 TYR QD . . 4.990 4.994 4.918 5.013 0.023 3 0 "[ . 1 . 2]" 1
346 1 26 VAL H 1 29 LEU H . . 5.500 5.358 5.293 5.404 . 0 0 "[ . 1 . 2]" 1
347 1 26 VAL H 1 29 LEU QD . . 4.060 3.994 3.802 4.083 0.023 12 0 "[ . 1 . 2]" 1
348 1 26 VAL HA 1 26 VAL MG1 . . 3.280 3.198 3.186 3.203 . 0 0 "[ . 1 . 2]" 1
349 1 26 VAL HA 1 26 VAL MG2 . . 3.280 2.219 2.107 2.325 . 0 0 "[ . 1 . 2]" 1
350 1 26 VAL HA 1 29 LEU H . . 4.410 3.462 3.364 3.587 . 0 0 "[ . 1 . 2]" 1
351 1 26 VAL HA 1 29 LEU QB . . 4.670 3.845 3.357 4.333 . 0 0 "[ . 1 . 2]" 1
352 1 26 VAL HA 1 29 LEU QD . . 3.760 2.051 1.916 2.141 . 0 0 "[ . 1 . 2]" 1
353 1 26 VAL HA 1 30 GLU H . . 4.610 4.009 3.608 4.381 . 0 0 "[ . 1 . 2]" 1
354 1 26 VAL HA 1 38 ALA MB . . 3.890 3.469 2.899 3.910 0.020 10 0 "[ . 1 . 2]" 1
355 1 26 VAL HB 1 27 SER H . . 4.190 3.956 3.881 4.013 . 0 0 "[ . 1 . 2]" 1
356 1 26 VAL HB 1 29 LEU QD . . 4.830 3.820 3.366 4.277 . 0 0 "[ . 1 . 2]" 1
357 1 26 VAL HB 1 38 ALA MB . . 4.330 3.295 2.321 4.020 . 0 0 "[ . 1 . 2]" 1
358 1 26 VAL QG 1 27 SER H . . 3.010 2.182 2.095 2.264 . 0 0 "[ . 1 . 2]" 1
359 1 26 VAL QG 1 27 SER QB . . 4.280 3.104 3.038 3.166 . 0 0 "[ . 1 . 2]" 1
360 1 26 VAL QG 1 28 TYR H . . 4.270 3.979 3.923 4.053 . 0 0 "[ . 1 . 2]" 1
361 1 26 VAL QG 1 29 LEU QB . . 4.110 3.734 3.217 4.217 0.107 17 0 "[ . 1 . 2]" 1
362 1 26 VAL QG 1 29 LEU QD . . 3.130 2.581 1.899 3.142 0.012 6 0 "[ . 1 . 2]" 1
363 1 26 VAL QG 1 30 GLU H . . 3.550 3.409 3.139 3.558 0.008 8 0 "[ . 1 . 2]" 1
364 1 26 VAL QG 1 30 GLU HA . . 4.800 4.255 3.958 4.663 . 0 0 "[ . 1 . 2]" 1
365 1 26 VAL QG 1 30 GLU QG . . 3.420 2.153 1.705 2.927 . 0 0 "[ . 1 . 2]" 1
366 1 26 VAL QG 1 31 GLY H . . 5.440 5.324 4.955 5.454 0.014 4 0 "[ . 1 . 2]" 1
367 1 26 VAL QG 1 38 ALA H . . 4.290 2.931 2.033 3.495 . 0 0 "[ . 1 . 2]" 1
368 1 26 VAL QG 1 38 ALA HA . . 4.690 3.954 3.551 4.295 . 0 0 "[ . 1 . 2]" 1
369 1 26 VAL QG 1 38 ALA MB . . 3.000 1.854 1.759 1.924 . 0 0 "[ . 1 . 2]" 1
370 1 26 VAL QG 1 39 PHE H . . 4.510 4.129 3.745 4.495 . 0 0 "[ . 1 . 2]" 1
371 1 26 VAL QG 1 39 PHE HA . . 4.780 3.692 3.086 4.277 . 0 0 "[ . 1 . 2]" 1
372 1 26 VAL MG1 1 27 SER HA . . 4.300 3.072 2.982 3.179 . 0 0 "[ . 1 . 2]" 1
373 1 26 VAL MG1 1 30 GLU HG2 . . 4.590 4.214 3.042 4.600 0.010 13 0 "[ . 1 . 2]" 1
374 1 26 VAL MG1 1 30 GLU HG3 . . 4.590 3.439 3.058 4.401 . 0 0 "[ . 1 . 2]" 1
375 1 26 VAL MG1 1 38 ALA MB . . 4.120 3.931 3.359 4.126 0.006 11 0 "[ . 1 . 2]" 1
376 1 26 VAL MG2 1 27 SER HA . . 4.300 3.950 3.627 4.221 . 0 0 "[ . 1 . 2]" 1
377 1 26 VAL MG2 1 30 GLU HG2 . . 4.590 2.910 1.897 3.623 . 0 0 "[ . 1 . 2]" 1
378 1 26 VAL MG2 1 30 GLU HG3 . . 4.590 2.501 1.880 4.411 . 0 0 "[ . 1 . 2]" 1
379 1 26 VAL MG2 1 38 ALA MB . . 4.120 1.857 1.762 1.928 . 0 0 "[ . 1 . 2]" 1
380 1 27 SER H 1 27 SER HB2 . . 3.260 2.583 2.312 2.842 . 0 0 "[ . 1 . 2]" 1
381 1 27 SER H 1 27 SER QB . . 2.690 2.235 2.183 2.262 . 0 0 "[ . 1 . 2]" 1
382 1 27 SER H 1 27 SER HB3 . . 3.260 2.504 2.269 2.789 . 0 0 "[ . 1 . 2]" 1
383 1 27 SER H 1 28 TYR H . . 3.260 2.653 2.586 2.754 . 0 0 "[ . 1 . 2]" 1
384 1 27 SER H 1 28 TYR QB . . 4.650 4.456 4.363 4.554 . 0 0 "[ . 1 . 2]" 1
385 1 27 SER H 1 28 TYR QD . . 4.630 4.407 4.234 4.637 0.007 12 0 "[ . 1 . 2]" 1
386 1 27 SER H 1 29 LEU QD . . 4.610 4.361 4.229 4.473 . 0 0 "[ . 1 . 2]" 1
387 1 27 SER HA 1 30 GLU HB2 . . 4.280 2.455 2.123 4.440 0.160 9 0 "[ . 1 . 2]" 1
388 1 27 SER HA 1 30 GLU HB3 . . 4.280 3.664 3.562 4.028 . 0 0 "[ . 1 . 2]" 1
389 1 27 SER HA 1 30 GLU QG . . 4.460 3.070 1.854 4.020 . 0 0 "[ . 1 . 2]" 1
390 1 27 SER QB 1 28 TYR H . . 3.870 2.880 2.715 3.055 . 0 0 "[ . 1 . 2]" 1
391 1 27 SER HB2 1 28 TYR H . . 4.420 4.074 3.885 4.271 . 0 0 "[ . 1 . 2]" 1
392 1 27 SER HB3 1 28 TYR H . . 4.420 2.946 2.771 3.129 . 0 0 "[ . 1 . 2]" 1
393 1 28 TYR H 1 28 TYR HB2 . . 3.660 2.196 2.180 2.209 . 0 0 "[ . 1 . 2]" 1
394 1 28 TYR H 1 28 TYR QB . . 2.970 2.174 2.159 2.187 . 0 0 "[ . 1 . 2]" 1
395 1 28 TYR H 1 28 TYR HB3 . . 3.660 3.500 3.490 3.510 . 0 0 "[ . 1 . 2]" 1
396 1 28 TYR H 1 28 TYR QD . . 3.510 2.833 2.775 2.947 . 0 0 "[ . 1 . 2]" 1
397 1 28 TYR H 1 28 TYR QE . . 4.880 4.891 4.850 4.944 0.064 11 0 "[ . 1 . 2]" 1
398 1 28 TYR H 1 29 LEU H . . 3.350 2.723 2.650 2.817 . 0 0 "[ . 1 . 2]" 1
399 1 28 TYR H 1 29 LEU HA . . 5.450 5.311 5.246 5.393 . 0 0 "[ . 1 . 2]" 1
400 1 28 TYR H 1 29 LEU MD1 . . 5.040 4.712 4.365 5.120 0.080 11 0 "[ . 1 . 2]" 1
401 1 28 TYR H 1 29 LEU QD . . 4.150 3.518 3.349 3.853 . 0 0 "[ . 1 . 2]" 1
402 1 28 TYR H 1 29 LEU MD2 . . 5.040 3.635 3.476 3.992 . 0 0 "[ . 1 . 2]" 1
403 1 28 TYR H 1 30 GLU QG . . 5.340 5.006 4.077 5.345 0.005 5 0 "[ . 1 . 2]" 1
404 1 28 TYR HA 1 28 TYR QD . . 3.910 2.779 2.664 2.870 . 0 0 "[ . 1 . 2]" 1
405 1 28 TYR QB 1 29 LEU QD . . 4.270 2.606 2.181 3.363 . 0 0 "[ . 1 . 2]" 1
406 1 28 TYR QB 1 31 GLY H . . 5.340 4.958 4.794 5.099 . 0 0 "[ . 1 . 2]" 1
407 1 28 TYR HB2 1 29 LEU H . . 3.680 2.602 2.530 2.700 . 0 0 "[ . 1 . 2]" 1
408 1 28 TYR HB3 1 29 LEU H . . 3.680 3.044 3.000 3.083 . 0 0 "[ . 1 . 2]" 1
409 1 28 TYR QD 1 29 LEU H . . 4.640 4.412 4.359 4.477 . 0 0 "[ . 1 . 2]" 1
410 1 28 TYR QD 1 29 LEU HA . . 5.500 5.563 5.517 5.610 0.110 9 0 "[ . 1 . 2]" 1
411 1 29 LEU H 1 29 LEU QB . . 3.500 2.612 2.508 2.760 . 0 0 "[ . 1 . 2]" 1
412 1 29 LEU H 1 29 LEU MD1 . . 3.770 2.967 2.441 3.617 . 0 0 "[ . 1 . 2]" 1
413 1 29 LEU H 1 29 LEU QD . . 3.200 2.074 1.849 2.494 . 0 0 "[ . 1 . 2]" 1
414 1 29 LEU H 1 29 LEU MD2 . . 3.770 2.130 1.914 2.544 . 0 0 "[ . 1 . 2]" 1
415 1 29 LEU HA 1 29 LEU MD1 . . 4.320 2.903 2.006 4.025 . 0 0 "[ . 1 . 2]" 1
416 1 29 LEU HA 1 29 LEU MD2 . . 4.320 3.620 3.520 3.862 . 0 0 "[ . 1 . 2]" 1
417 1 29 LEU HA 1 29 LEU HG . . 3.840 3.617 3.599 3.629 . 0 0 "[ . 1 . 2]" 1
418 1 29 LEU QB 1 30 GLU H . . 4.020 2.959 2.446 3.457 . 0 0 "[ . 1 . 2]" 1
419 1 29 LEU QD 1 30 GLU H . . 3.510 3.073 2.368 3.391 . 0 0 "[ . 1 . 2]" 1
420 1 29 LEU QD 1 30 GLU QG . . 4.850 3.642 1.969 4.444 . 0 0 "[ . 1 . 2]" 1
421 1 29 LEU QD 1 31 GLY H . . 4.790 4.636 4.409 4.793 0.003 2 0 "[ . 1 . 2]" 1
422 1 29 LEU QD 1 38 ALA MB . . 4.250 2.758 1.790 4.132 . 0 0 "[ . 1 . 2]" 1
423 1 29 LEU MD1 1 30 GLU H . . 4.150 3.658 2.397 4.269 0.119 14 0 "[ . 1 . 2]" 1
424 1 29 LEU MD1 1 31 GLY H . . 5.500 5.031 4.626 5.290 . 0 0 "[ . 1 . 2]" 1
425 1 29 LEU MD2 1 30 GLU H . . 4.150 3.583 3.295 3.862 . 0 0 "[ . 1 . 2]" 1
426 1 29 LEU MD2 1 31 GLY H . . 5.500 5.449 5.193 5.566 0.066 3 0 "[ . 1 . 2]" 1
427 1 30 GLU H 1 30 GLU HB2 . . 3.660 2.412 2.212 3.532 . 0 0 "[ . 1 . 2]" 1
428 1 30 GLU H 1 30 GLU QB . . 2.920 2.257 2.190 2.387 . 0 0 "[ . 1 . 2]" 1
429 1 30 GLU H 1 30 GLU HB3 . . 3.660 3.413 2.226 3.583 . 0 0 "[ . 1 . 2]" 1
430 1 30 GLU H 1 30 GLU QG . . 3.040 2.624 2.296 2.781 . 0 0 "[ . 1 . 2]" 1
431 1 30 GLU H 1 31 GLY H . . 3.510 2.714 2.631 2.790 . 0 0 "[ . 1 . 2]" 1
432 1 30 GLU H 1 38 ALA H . . 5.500 5.149 4.479 5.499 . 0 0 "[ . 1 . 2]" 1
433 1 30 GLU HA 1 38 ALA H . . 5.120 4.404 2.916 5.110 . 0 0 "[ . 1 . 2]" 1
434 1 30 GLU QB 1 31 GLY H . . 3.520 2.959 2.599 3.540 0.020 9 0 "[ . 1 . 2]" 1
435 1 30 GLU HB2 1 31 GLY H . . 4.350 3.146 2.691 4.149 . 0 0 "[ . 1 . 2]" 1
436 1 30 GLU HB3 1 31 GLY H . . 4.350 3.685 3.433 3.931 . 0 0 "[ . 1 . 2]" 1
437 1 30 GLU QG 1 38 ALA H . . 4.370 3.302 2.088 4.405 0.035 10 0 "[ . 1 . 2]" 1
438 1 30 GLU QG 1 38 ALA MB . . 4.490 3.812 2.636 4.433 . 0 0 "[ . 1 . 2]" 1
439 1 33 THR HA 1 33 THR MG . . 3.240 2.440 2.067 3.205 . 0 0 "[ . 1 . 2]" 1
440 1 34 ALA HA 1 35 SER QB . . 4.930 4.255 3.847 4.726 . 0 0 "[ . 1 . 2]" 1
441 1 34 ALA HA 1 36 LEU H . . 5.240 4.798 4.363 5.323 0.083 4 0 "[ . 1 . 2]" 1
442 1 34 ALA MB 1 35 SER H . . 3.490 2.917 2.352 3.512 0.022 9 0 "[ . 1 . 2]" 1
443 1 34 ALA MB 1 36 LEU H . . 3.690 2.903 2.364 3.761 0.071 4 0 "[ . 1 . 2]" 1
444 1 35 SER H 1 36 LEU H . . 5.500 2.635 1.827 2.786 . 0 0 "[ . 1 . 2]" 1
445 1 35 SER QB 1 36 LEU H . . 4.040 3.806 2.671 3.992 . 0 0 "[ . 1 . 2]" 1
446 1 35 SER HB2 1 36 LEU H . . 4.760 4.338 3.664 4.637 . 0 0 "[ . 1 . 2]" 1
447 1 35 SER HB3 1 36 LEU H . . 4.760 4.277 2.745 4.568 . 0 0 "[ . 1 . 2]" 1
448 1 36 LEU H 1 36 LEU HG . . 4.450 3.899 2.670 4.447 . 0 0 "[ . 1 . 2]" 1
449 1 36 LEU H 1 37 ARG H . . 5.030 4.482 4.287 4.628 . 0 0 "[ . 1 . 2]" 1
450 1 36 LEU HA 1 36 LEU HG . . 3.280 2.555 2.242 3.645 0.365 17 0 "[ . 1 . 2]" 1
451 1 36 LEU HG 1 37 ARG H . . 5.180 3.822 2.543 5.175 . 0 0 "[ . 1 . 2]" 1
452 1 37 ARG H 1 37 ARG QB . . 3.680 2.619 2.327 2.832 . 0 0 "[ . 1 . 2]" 1
453 1 37 ARG H 1 38 ALA H . . 4.690 3.932 3.811 4.263 . 0 0 "[ . 1 . 2]" 1
454 1 37 ARG HA 1 38 ALA H . . 3.200 2.187 2.144 2.209 . 0 0 "[ . 1 . 2]" 1
455 1 37 ARG HA 1 38 ALA MB . . 4.360 4.071 3.976 4.126 . 0 0 "[ . 1 . 2]" 1
456 1 37 ARG QB 1 38 ALA H . . 4.390 3.743 3.282 3.991 . 0 0 "[ . 1 . 2]" 1
457 1 38 ALA H 1 38 ALA MB . . 3.550 2.278 2.146 2.410 . 0 0 "[ . 1 . 2]" 1
458 1 38 ALA H 1 39 PHE H . . 4.670 4.553 4.483 4.582 . 0 0 "[ . 1 . 2]" 1
459 1 38 ALA HA 1 39 PHE H . . 3.120 2.267 2.186 2.422 . 0 0 "[ . 1 . 2]" 1
460 1 38 ALA HA 1 39 PHE QD . . 4.450 3.112 2.936 3.215 . 0 0 "[ . 1 . 2]" 1
461 1 38 ALA MB 1 39 PHE H . . 3.370 2.744 2.364 3.004 . 0 0 "[ . 1 . 2]" 1
462 1 38 ALA MB 1 39 PHE HA . . 4.960 3.996 3.882 4.113 . 0 0 "[ . 1 . 2]" 1
463 1 38 ALA MB 1 39 PHE QD . . 4.610 4.368 4.151 4.488 . 0 0 "[ . 1 . 2]" 1
464 1 38 ALA MB 1 66 VAL H . . 5.500 5.491 5.396 5.529 0.029 19 0 "[ . 1 . 2]" 1
465 1 39 PHE H 1 39 PHE QB . . 3.540 3.077 2.981 3.187 . 0 0 "[ . 1 . 2]" 1
466 1 39 PHE H 1 39 PHE QD . . 3.400 2.558 2.313 2.765 . 0 0 "[ . 1 . 2]" 1
467 1 39 PHE H 1 39 PHE HZ . . 5.340 5.254 5.152 5.349 0.009 4 0 "[ . 1 . 2]" 1
468 1 39 PHE QB 1 40 LEU H . . 3.380 2.620 2.028 3.137 . 0 0 "[ . 1 . 2]" 1
469 1 39 PHE QD 1 40 LEU H . . 4.330 3.790 3.031 4.342 0.012 18 0 "[ . 1 . 2]" 1
470 1 39 PHE HZ 1 62 SER HB2 . . 5.450 4.771 3.417 5.451 0.001 10 0 "[ . 1 . 2]" 1
471 1 39 PHE HZ 1 62 SER QB . . 4.790 3.838 3.219 4.561 . 0 0 "[ . 1 . 2]" 1
472 1 39 PHE HZ 1 62 SER HB3 . . 5.450 4.128 3.324 4.905 . 0 0 "[ . 1 . 2]" 1
473 1 42 LEU H 1 42 LEU HB2 . . 4.180 2.235 2.061 3.795 . 0 0 "[ . 1 . 2]" 1
474 1 42 LEU H 1 42 LEU QB . . 3.390 2.142 2.039 2.825 . 0 0 "[ . 1 . 2]" 1
475 1 42 LEU H 1 42 LEU HB3 . . 4.180 3.038 2.761 3.404 . 0 0 "[ . 1 . 2]" 1
476 1 42 LEU H 1 42 LEU QD . . 3.580 3.088 1.890 3.587 0.007 15 0 "[ . 1 . 2]" 1
477 1 42 LEU H 1 42 LEU HG . . 4.670 4.452 3.165 4.589 . 0 0 "[ . 1 . 2]" 1
478 1 42 LEU HA 1 42 LEU MD1 . . 3.960 2.225 1.959 4.035 0.075 13 0 "[ . 1 . 2]" 1
479 1 42 LEU HA 1 42 LEU QD . . 3.170 2.179 1.952 3.348 0.178 13 0 "[ . 1 . 2]" 1
480 1 42 LEU HA 1 42 LEU MD2 . . 3.960 3.782 3.576 3.840 . 0 0 "[ . 1 . 2]" 1
481 1 42 LEU HA 1 42 LEU HG . . 3.830 2.719 2.531 3.662 . 0 0 "[ . 1 . 2]" 1
482 1 42 LEU QB 1 42 LEU QD . . 2.480 1.904 1.780 1.934 . 0 0 "[ . 1 . 2]" 1
483 1 42 LEU QB 1 43 ARG H . . 3.900 3.181 2.668 3.559 . 0 0 "[ . 1 . 2]" 1
484 1 42 LEU HB2 1 42 LEU MD1 . . 3.600 2.313 2.057 2.372 . 0 0 "[ . 1 . 2]" 1
485 1 42 LEU HB2 1 42 LEU MD2 . . 3.600 2.367 2.208 3.154 . 0 0 "[ . 1 . 2]" 1
486 1 42 LEU HB2 1 43 ARG H . . 4.470 4.130 2.708 4.446 . 0 0 "[ . 1 . 2]" 1
487 1 42 LEU HB3 1 42 LEU MD1 . . 3.600 3.149 2.589 3.195 . 0 0 "[ . 1 . 2]" 1
488 1 42 LEU HB3 1 42 LEU MD2 . . 3.600 2.311 1.981 2.461 . 0 0 "[ . 1 . 2]" 1
489 1 42 LEU HB3 1 43 ARG H . . 4.470 3.367 2.932 4.005 . 0 0 "[ . 1 . 2]" 1
490 1 42 LEU QD 1 43 ARG H . . 3.750 3.258 2.972 3.803 0.053 13 0 "[ . 1 . 2]" 1
491 1 42 LEU QD 1 43 ARG QD . . 5.080 3.887 2.879 4.450 . 0 0 "[ . 1 . 2]" 1
492 1 42 LEU QD 1 43 ARG QG . . 5.020 3.770 3.244 4.329 . 0 0 "[ . 1 . 2]" 1
493 1 42 LEU MD1 1 43 ARG H . . 4.600 3.422 3.061 4.055 . 0 0 "[ . 1 . 2]" 1
494 1 42 LEU MD2 1 43 ARG H . . 4.600 4.151 3.526 4.601 0.001 13 0 "[ . 1 . 2]" 1
495 1 42 LEU HG 1 43 ARG QD . . 4.290 3.833 2.356 4.323 0.033 15 0 "[ . 1 . 2]" 1
496 1 42 LEU HG 1 43 ARG QG . . 4.120 3.421 2.700 4.133 0.013 11 0 "[ . 1 . 2]" 1
497 1 43 ARG H 1 43 ARG HD2 . . 5.060 3.425 1.989 4.600 . 0 0 "[ . 1 . 2]" 1
498 1 43 ARG H 1 43 ARG HD3 . . 5.060 3.458 2.132 4.579 . 0 0 "[ . 1 . 2]" 1
499 1 43 ARG H 1 43 ARG QG . . 3.740 2.273 1.934 2.836 . 0 0 "[ . 1 . 2]" 1
500 1 43 ARG HA 1 78 TRP HE1 . . 5.470 5.435 4.932 5.482 0.012 16 0 "[ . 1 . 2]" 1
501 1 43 ARG HB2 1 43 ARG QG . . 2.540 2.286 2.132 2.514 . 0 0 "[ . 1 . 2]" 1
502 1 43 ARG HB2 1 44 ASP HA . . 4.650 4.503 4.335 4.655 0.005 10 0 "[ . 1 . 2]" 1
503 1 43 ARG HB2 1 44 ASP QB . . 5.340 4.819 4.218 5.326 . 0 0 "[ . 1 . 2]" 1
504 1 43 ARG HB2 1 78 TRP HE1 . . 4.530 4.256 3.108 4.541 0.011 11 0 "[ . 1 . 2]" 1
505 1 43 ARG HB3 1 78 TRP HE1 . . 5.150 4.030 3.316 4.923 . 0 0 "[ . 1 . 2]" 1
506 1 45 ALA H 1 45 ALA MB . . 3.430 2.194 2.040 2.579 . 0 0 "[ . 1 . 2]" 1
507 1 46 THR H 1 46 THR MG . . 3.690 2.996 1.959 3.806 0.116 18 0 "[ . 1 . 2]" 1
508 1 46 THR HA 1 46 THR MG . . 3.320 2.324 1.982 3.181 . 0 0 "[ . 1 . 2]" 1
509 1 51 ILE H 1 51 ILE MD . . 4.480 3.783 2.001 4.121 . 0 0 "[ . 1 . 2]" 1
510 1 51 ILE H 1 51 ILE QG . . 3.920 2.206 1.925 2.499 . 0 0 "[ . 1 . 2]" 1
511 1 51 ILE H 1 51 ILE MG . . 3.400 2.958 2.311 3.373 . 0 0 "[ . 1 . 2]" 1
512 1 51 ILE HA 1 51 ILE MD . . 4.370 4.118 3.569 4.177 . 0 0 "[ . 1 . 2]" 1
513 1 51 ILE HA 1 51 ILE HG12 . . 4.030 3.775 3.587 3.981 . 0 0 "[ . 1 . 2]" 1
514 1 51 ILE HA 1 51 ILE QG . . 3.470 3.308 3.296 3.401 . 0 0 "[ . 1 . 2]" 1
515 1 51 ILE HA 1 51 ILE HG13 . . 4.030 3.675 3.531 4.221 0.191 19 0 "[ . 1 . 2]" 1
516 1 51 ILE HA 1 51 ILE MG . . 3.080 2.224 2.119 2.385 . 0 0 "[ . 1 . 2]" 1
517 1 51 ILE HB 1 51 ILE MD . . 3.410 2.306 2.079 3.177 . 0 0 "[ . 1 . 2]" 1
518 1 51 ILE HB 1 52 VAL H . . 3.630 2.281 2.129 2.622 . 0 0 "[ . 1 . 2]" 1
519 1 51 ILE HB 1 52 VAL HB . . 5.090 4.782 3.686 5.089 . 0 0 "[ . 1 . 2]" 1
520 1 51 ILE QG 1 51 ILE MG . . 3.280 2.177 1.953 2.473 . 0 0 "[ . 1 . 2]" 1
521 1 51 ILE QG 1 52 VAL H . . 5.340 3.646 3.358 3.942 . 0 0 "[ . 1 . 2]" 1
522 1 51 ILE MG 1 52 VAL H . . 3.820 3.533 3.410 3.676 . 0 0 "[ . 1 . 2]" 1
523 1 52 VAL H 1 52 VAL QG . . 3.570 2.262 1.930 3.085 . 0 0 "[ . 1 . 2]" 1
524 1 52 VAL HA 1 52 VAL QG . . 3.010 2.171 2.035 2.312 . 0 0 "[ . 1 . 2]" 1
525 1 61 SER HA 1 62 SER H . . 3.510 3.312 2.768 3.478 . 0 0 "[ . 1 . 2]" 1
526 1 61 SER QB 1 62 SER H . . 3.840 3.155 2.877 3.870 0.030 4 0 "[ . 1 . 2]" 1
527 1 62 SER H 1 62 SER HB2 . . 3.770 3.277 2.455 3.725 . 0 0 "[ . 1 . 2]" 1
528 1 62 SER H 1 62 SER QB . . 3.290 2.461 2.147 2.761 . 0 0 "[ . 1 . 2]" 1
529 1 62 SER H 1 62 SER HB3 . . 3.770 2.801 2.167 3.761 . 0 0 "[ . 1 . 2]" 1
530 1 62 SER HA 1 63 HIS H . . 3.400 2.323 2.218 2.437 . 0 0 "[ . 1 . 2]" 1
531 1 62 SER QB 1 63 HIS H . . 3.470 2.716 2.326 3.349 . 0 0 "[ . 1 . 2]" 1
532 1 62 SER QB 1 64 CYS H . . 3.250 3.028 2.585 3.346 0.096 11 0 "[ . 1 . 2]" 1
533 1 63 HIS H 1 63 HIS QB . . 3.630 2.350 2.175 2.592 . 0 0 "[ . 1 . 2]" 1
534 1 63 HIS H 1 63 HIS HD2 . . 3.750 3.483 2.930 4.077 0.327 17 0 "[ . 1 . 2]" 1
535 1 63 HIS H 1 64 CYS H . . 3.490 2.230 2.183 2.386 . 0 0 "[ . 1 . 2]" 1
536 1 63 HIS H 1 95 GLY QA . . 5.210 4.260 3.742 4.940 . 0 0 "[ . 1 . 2]" 1
537 1 63 HIS HA 1 63 HIS HE1 . . 5.080 5.046 4.721 5.535 0.455 12 0 "[ . 1 . 2]" 1
538 1 63 HIS HA 1 64 CYS QB . . 4.880 4.619 4.438 4.941 0.061 3 0 "[ . 1 . 2]" 1
539 1 63 HIS HA 1 96 CYS H . . 5.270 4.886 4.155 5.275 0.005 16 0 "[ . 1 . 2]" 1
540 1 63 HIS QB 1 63 HIS HE1 . . 4.610 4.480 4.419 4.558 . 0 0 "[ . 1 . 2]" 1
541 1 63 HIS QB 1 64 CYS H . . 3.590 2.877 2.334 3.200 . 0 0 "[ . 1 . 2]" 1
542 1 64 CYS H 1 64 CYS HB2 . . 3.620 3.225 2.796 3.809 0.189 1 0 "[ . 1 . 2]" 1
543 1 64 CYS H 1 64 CYS QB . . 3.140 2.861 2.708 3.215 0.075 1 0 "[ . 1 . 2]" 1
544 1 64 CYS H 1 64 CYS HB3 . . 3.620 3.258 2.962 3.628 0.008 17 0 "[ . 1 . 2]" 1
545 1 64 CYS H 1 65 ARG H . . 4.380 4.352 4.253 4.418 0.038 1 0 "[ . 1 . 2]" 1
546 1 64 CYS H 1 65 ARG QD . . 5.340 5.209 3.560 5.354 0.014 3 0 "[ . 1 . 2]" 1
547 1 64 CYS H 1 65 ARG QG . . 3.730 3.706 3.578 3.826 0.096 1 0 "[ . 1 . 2]" 1
548 1 64 CYS H 1 95 GLY H . . 5.500 4.545 4.063 5.038 . 0 0 "[ . 1 . 2]" 1
549 1 64 CYS H 1 95 GLY QA . . 4.380 3.678 2.964 4.275 . 0 0 "[ . 1 . 2]" 1
550 1 64 CYS H 1 96 CYS H . . 5.360 5.029 4.361 5.363 0.003 4 0 "[ . 1 . 2]" 1
551 1 64 CYS HA 1 65 ARG H . . 3.170 2.341 2.240 2.432 . 0 0 "[ . 1 . 2]" 1
552 1 64 CYS HA 1 96 CYS H . . 4.040 2.976 2.253 3.492 . 0 0 "[ . 1 . 2]" 1
553 1 64 CYS HA 1 96 CYS QB . . 4.330 4.006 3.226 4.348 0.018 1 0 "[ . 1 . 2]" 1
554 1 64 CYS QB 1 65 ARG H . . 3.550 3.126 2.462 3.546 . 0 0 "[ . 1 . 2]" 1
555 1 64 CYS QB 1 65 ARG QG . . 4.840 4.493 4.363 4.665 . 0 0 "[ . 1 . 2]" 1
556 1 64 CYS HB2 1 65 ARG H . . 4.190 3.894 2.504 4.170 . 0 0 "[ . 1 . 2]" 1
557 1 64 CYS HB3 1 65 ARG H . . 4.190 3.398 2.624 3.939 . 0 0 "[ . 1 . 2]" 1
558 1 65 ARG H 1 65 ARG HB2 . . 4.090 2.841 2.756 2.941 . 0 0 "[ . 1 . 2]" 1
559 1 65 ARG H 1 65 ARG QB . . 3.420 2.774 2.698 2.862 . 0 0 "[ . 1 . 2]" 1
560 1 65 ARG H 1 65 ARG HB3 . . 4.090 3.884 3.844 3.922 . 0 0 "[ . 1 . 2]" 1
561 1 65 ARG H 1 65 ARG QD . . 5.340 4.618 2.857 5.042 . 0 0 "[ . 1 . 2]" 1
562 1 65 ARG H 1 65 ARG QG . . 3.570 3.160 2.908 3.412 . 0 0 "[ . 1 . 2]" 1
563 1 65 ARG H 1 66 VAL MG2 . . 5.210 4.236 4.008 4.467 . 0 0 "[ . 1 . 2]" 1
564 1 65 ARG H 1 96 CYS H . . 4.930 4.286 3.865 4.594 . 0 0 "[ . 1 . 2]" 1
565 1 65 ARG H 1 96 CYS QB . . 4.750 4.478 3.955 4.768 0.018 1 0 "[ . 1 . 2]" 1
566 1 65 ARG H 1 97 THR H . . 5.260 5.072 4.762 5.273 0.013 10 0 "[ . 1 . 2]" 1
567 1 65 ARG H 1 97 THR HA . . 3.610 3.106 2.675 3.326 . 0 0 "[ . 1 . 2]" 1
568 1 65 ARG H 1 97 THR HB . . 5.500 5.385 4.928 5.540 0.040 16 0 "[ . 1 . 2]" 1
569 1 65 ARG H 1 97 THR MG . . 4.290 4.121 3.488 4.300 0.010 4 0 "[ . 1 . 2]" 1
570 1 65 ARG H 1 98 ILE H . . 4.810 4.596 4.160 4.813 0.003 6 0 "[ . 1 . 2]" 1
571 1 65 ARG H 1 98 ILE MG . . 4.400 4.040 3.698 4.350 . 0 0 "[ . 1 . 2]" 1
572 1 65 ARG HA 1 65 ARG QG . . 3.670 2.432 2.339 2.541 . 0 0 "[ . 1 . 2]" 1
573 1 65 ARG HA 1 66 VAL H . . 3.500 2.219 2.141 2.254 . 0 0 "[ . 1 . 2]" 1
574 1 65 ARG HA 1 98 ILE H . . 5.500 5.507 5.353 5.585 0.085 3 0 "[ . 1 . 2]" 1
575 1 65 ARG QB 1 97 THR HA . . 4.460 2.258 1.982 2.667 . 0 0 "[ . 1 . 2]" 1
576 1 65 ARG QB 1 97 THR MG . . 3.690 1.939 1.734 2.355 . 0 0 "[ . 1 . 2]" 1
577 1 65 ARG QD 1 66 VAL H . . 5.340 4.888 4.213 5.350 0.010 18 0 "[ . 1 . 2]" 1
578 1 65 ARG QG 1 96 CYS H . . 5.340 4.469 4.110 5.098 . 0 0 "[ . 1 . 2]" 1
579 1 65 ARG QG 1 97 THR MG . . 4.360 3.070 2.405 3.483 . 0 0 "[ . 1 . 2]" 1
580 1 66 VAL H 1 66 VAL HB . . 3.520 2.665 2.584 2.765 . 0 0 "[ . 1 . 2]" 1
581 1 66 VAL H 1 66 VAL MG1 . . 4.510 3.851 3.821 3.885 . 0 0 "[ . 1 . 2]" 1
582 1 66 VAL H 1 66 VAL MG2 . . 3.500 2.510 2.209 2.740 . 0 0 "[ . 1 . 2]" 1
583 1 66 VAL H 1 67 LEU H . . 4.590 4.327 4.239 4.510 . 0 0 "[ . 1 . 2]" 1
584 1 66 VAL H 1 98 ILE H . . 5.360 4.920 4.620 5.155 . 0 0 "[ . 1 . 2]" 1
585 1 66 VAL HA 1 67 LEU H . . 3.470 2.150 2.142 2.211 . 0 0 "[ . 1 . 2]" 1
586 1 66 VAL HA 1 98 ILE H . . 3.340 3.033 2.677 3.390 0.050 2 0 "[ . 1 . 2]" 1
587 1 66 VAL HA 1 98 ILE HB . . 4.740 4.674 4.542 4.795 0.055 16 0 "[ . 1 . 2]" 1
588 1 66 VAL HA 1 98 ILE MD . . 4.330 3.325 2.142 4.455 0.125 4 0 "[ . 1 . 2]" 1
589 1 66 VAL HA 1 98 ILE MG . . 4.150 3.153 1.895 3.939 . 0 0 "[ . 1 . 2]" 1
590 1 66 VAL MG1 1 67 LEU H . . 3.730 2.676 2.282 2.927 . 0 0 "[ . 1 . 2]" 1
591 1 66 VAL MG1 1 132 LYS HA . . 4.620 4.185 3.431 4.648 0.028 19 0 "[ . 1 . 2]" 1
592 1 66 VAL MG1 1 135 VAL HB . . 3.850 2.856 2.067 3.704 . 0 0 "[ . 1 . 2]" 1
593 1 66 VAL MG2 1 97 THR HA . . 5.500 5.249 4.888 5.541 0.041 11 0 "[ . 1 . 2]" 1
594 1 66 VAL MG2 1 135 VAL HA . . 4.450 3.769 2.987 4.446 . 0 0 "[ . 1 . 2]" 1
595 1 66 VAL MG2 1 135 VAL HB . . 4.130 2.221 1.875 2.651 . 0 0 "[ . 1 . 2]" 1
596 1 66 VAL MG2 1 135 VAL MG1 . . 2.990 2.949 2.667 3.053 0.063 7 0 "[ . 1 . 2]" 1
597 1 67 LEU H 1 68 LEU H . . 5.060 4.270 4.038 4.407 . 0 0 "[ . 1 . 2]" 1
598 1 67 LEU H 1 98 ILE H . . 4.880 2.608 2.142 3.519 . 0 0 "[ . 1 . 2]" 1
599 1 67 LEU H 1 98 ILE HB . . 5.150 4.622 4.132 5.165 0.015 16 0 "[ . 1 . 2]" 1
600 1 67 LEU H 1 98 ILE MG . . 3.940 3.598 1.978 4.325 0.385 19 0 "[ . 1 . 2]" 1
601 1 67 LEU H 1 99 PRO HA . . 4.310 3.966 3.488 4.376 0.066 3 0 "[ . 1 . 2]" 1
602 1 67 LEU H 1 100 LEU H . . 4.990 4.741 4.054 5.068 0.078 19 0 "[ . 1 . 2]" 1
603 1 67 LEU HA 1 68 LEU H . . 3.350 2.151 2.140 2.194 . 0 0 "[ . 1 . 2]" 1
604 1 67 LEU QD 1 68 LEU H . . 3.590 2.988 2.257 3.629 0.039 3 0 "[ . 1 . 2]" 1
605 1 68 LEU H 1 68 LEU QB . . 3.510 3.124 2.978 3.183 . 0 0 "[ . 1 . 2]" 1
606 1 68 LEU H 1 68 LEU MD1 . . 4.140 3.910 3.813 3.984 . 0 0 "[ . 1 . 2]" 1
607 1 68 LEU H 1 68 LEU MD2 . . 3.310 2.387 2.131 2.590 . 0 0 "[ . 1 . 2]" 1
608 1 68 LEU H 1 68 LEU HG . . 4.290 2.328 2.175 2.440 . 0 0 "[ . 1 . 2]" 1
609 1 68 LEU H 1 69 ILE H . . 4.300 3.966 3.630 4.304 0.004 11 0 "[ . 1 . 2]" 1
610 1 68 LEU H 1 69 ILE MD . . 5.160 4.961 4.528 5.171 0.011 5 0 "[ . 1 . 2]" 1
611 1 68 LEU H 1 69 ILE MG . . 4.500 4.008 3.844 4.212 . 0 0 "[ . 1 . 2]" 1
612 1 68 LEU H 1 100 LEU H . . 4.850 4.801 4.502 4.942 0.092 5 0 "[ . 1 . 2]" 1
613 1 68 LEU HA 1 68 LEU MD1 . . 4.570 4.093 4.056 4.130 . 0 0 "[ . 1 . 2]" 1
614 1 68 LEU HA 1 68 LEU MD2 . . 3.510 3.462 3.362 3.530 0.020 17 0 "[ . 1 . 2]" 1
615 1 68 LEU HA 1 68 LEU HG . . 4.270 3.689 3.655 3.707 . 0 0 "[ . 1 . 2]" 1
616 1 68 LEU HA 1 69 ILE H . . 3.270 2.194 2.139 2.293 . 0 0 "[ . 1 . 2]" 1
617 1 68 LEU HA 1 69 ILE HG13 . . 4.950 4.088 3.789 4.504 . 0 0 "[ . 1 . 2]" 1
618 1 68 LEU HA 1 69 ILE MG . . 4.770 4.647 4.527 4.776 0.006 18 0 "[ . 1 . 2]" 1
619 1 68 LEU HA 1 100 LEU QB . . 4.240 2.568 2.175 2.991 . 0 0 "[ . 1 . 2]" 1
620 1 68 LEU HA 1 100 LEU QD . . 4.090 4.064 3.735 4.156 0.066 19 0 "[ . 1 . 2]" 1
621 1 68 LEU QB 1 68 LEU MD1 . . 2.780 1.996 1.913 2.084 . 0 0 "[ . 1 . 2]" 1
622 1 68 LEU QB 1 68 LEU MD2 . . 2.670 2.008 1.933 2.115 . 0 0 "[ . 1 . 2]" 1
623 1 68 LEU QB 1 100 LEU QB . . 3.540 3.052 2.605 3.307 . 0 0 "[ . 1 . 2]" 1
624 1 68 LEU MD2 1 100 LEU QB . . 4.330 4.301 3.924 4.422 0.092 11 0 "[ . 1 . 2]" 1
625 1 68 LEU MD2 1 131 VAL HB . . 4.770 3.974 2.630 4.774 0.004 19 0 "[ . 1 . 2]" 1
626 1 68 LEU MD2 1 131 VAL QG . . 2.860 2.466 1.928 2.874 0.014 20 0 "[ . 1 . 2]" 1
627 1 69 ILE H 1 69 ILE HB . . 3.790 3.668 3.548 3.753 . 0 0 "[ . 1 . 2]" 1
628 1 69 ILE H 1 69 ILE MD . . 4.070 3.855 3.680 4.062 . 0 0 "[ . 1 . 2]" 1
629 1 69 ILE H 1 69 ILE HG12 . . 3.350 2.692 2.158 3.066 . 0 0 "[ . 1 . 2]" 1
630 1 69 ILE H 1 69 ILE HG13 . . 3.280 2.279 2.095 2.587 . 0 0 "[ . 1 . 2]" 1
631 1 69 ILE H 1 69 ILE MG . . 3.950 3.576 3.350 3.716 . 0 0 "[ . 1 . 2]" 1
632 1 69 ILE H 1 70 THR H . . 4.830 4.405 4.377 4.441 . 0 0 "[ . 1 . 2]" 1
633 1 69 ILE HA 1 69 ILE MD . . 4.570 4.164 4.147 4.177 . 0 0 "[ . 1 . 2]" 1
634 1 69 ILE HA 1 73 PHE QB . . 5.010 4.531 4.421 4.813 . 0 0 "[ . 1 . 2]" 1
635 1 69 ILE HB 1 69 ILE HG13 . . 2.750 2.547 2.479 2.612 . 0 0 "[ . 1 . 2]" 1
636 1 69 ILE HB 1 73 PHE H . . 5.230 5.165 4.851 5.252 0.022 15 0 "[ . 1 . 2]" 1
637 1 69 ILE HB 1 74 LEU H . . 3.740 3.698 3.344 3.782 0.042 18 0 "[ . 1 . 2]" 1
638 1 69 ILE HB 1 74 LEU HB3 . . 4.170 2.822 2.560 3.069 . 0 0 "[ . 1 . 2]" 1
639 1 69 ILE MD 1 69 ILE MG . . 3.070 2.138 1.930 2.358 . 0 0 "[ . 1 . 2]" 1
640 1 69 ILE MD 1 70 THR H . . 4.730 4.047 3.919 4.176 . 0 0 "[ . 1 . 2]" 1
641 1 69 ILE MD 1 73 PHE QB . . 5.340 4.449 3.871 4.652 . 0 0 "[ . 1 . 2]" 1
642 1 69 ILE MD 1 74 LEU HB3 . . 3.580 2.203 1.974 2.615 . 0 0 "[ . 1 . 2]" 1
643 1 69 ILE MD 1 99 PRO HA . . 4.620 4.502 4.036 4.638 0.018 12 0 "[ . 1 . 2]" 1
644 1 69 ILE MD 1 100 LEU H . . 5.140 5.000 4.713 5.200 0.060 8 0 "[ . 1 . 2]" 1
645 1 69 ILE HG12 1 69 ILE MG . . 3.210 2.282 2.172 2.351 . 0 0 "[ . 1 . 2]" 1
646 1 69 ILE HG12 1 70 THR H . . 4.930 4.789 4.687 4.840 . 0 0 "[ . 1 . 2]" 1
647 1 69 ILE HG13 1 69 ILE MG . . 3.240 3.179 3.159 3.189 . 0 0 "[ . 1 . 2]" 1
648 1 69 ILE HG13 1 70 THR H . . 4.290 4.153 3.926 4.243 . 0 0 "[ . 1 . 2]" 1
649 1 69 ILE HG13 1 99 PRO QB . . 4.880 4.311 3.565 4.888 0.008 16 0 "[ . 1 . 2]" 1
650 1 69 ILE MG 1 70 THR H . . 4.240 2.940 2.865 3.101 . 0 0 "[ . 1 . 2]" 1
651 1 69 ILE MG 1 73 PHE H . . 5.500 5.568 5.550 5.583 0.083 12 0 "[ . 1 . 2]" 1
652 1 69 ILE MG 1 73 PHE QB . . 4.050 3.295 3.219 3.498 . 0 0 "[ . 1 . 2]" 1
653 1 69 ILE MG 1 74 LEU H . . 4.470 4.396 4.324 4.492 0.022 16 0 "[ . 1 . 2]" 1
654 1 69 ILE MG 1 74 LEU HB3 . . 4.280 3.830 3.566 4.234 . 0 0 "[ . 1 . 2]" 1
655 1 70 THR H 1 72 GLY H . . 5.430 5.161 5.003 5.310 . 0 0 "[ . 1 . 2]" 1
656 1 70 THR H 1 73 PHE H . . 4.050 3.990 3.925 4.090 0.040 7 0 "[ . 1 . 2]" 1
657 1 70 THR H 1 73 PHE QB . . 3.490 2.563 2.416 2.836 . 0 0 "[ . 1 . 2]" 1
658 1 70 THR H 1 74 LEU H . . 4.020 3.694 3.577 3.901 . 0 0 "[ . 1 . 2]" 1
659 1 70 THR H 1 74 LEU HB2 . . 5.500 5.546 5.497 5.579 0.079 12 0 "[ . 1 . 2]" 1
660 1 70 THR H 1 74 LEU HB3 . . 4.780 3.957 3.809 4.196 . 0 0 "[ . 1 . 2]" 1
661 1 70 THR H 1 74 LEU QD . . 5.170 4.233 3.849 4.622 . 0 0 "[ . 1 . 2]" 1
662 1 71 PRO HA 1 74 LEU H . . 4.840 4.063 3.973 4.113 . 0 0 "[ . 1 . 2]" 1
663 1 71 PRO HA 1 74 LEU QD . . 3.930 1.890 1.867 1.950 . 0 0 "[ . 1 . 2]" 1
664 1 71 PRO HA 1 75 GLN QB . . 4.980 4.707 4.508 5.056 0.076 20 0 "[ . 1 . 2]" 1
665 1 71 PRO HA 1 104 LEU QD . . 3.980 3.399 2.310 3.989 0.009 3 0 "[ . 1 . 2]" 1
666 1 71 PRO HB2 1 72 GLY H . . 3.500 3.340 3.239 3.484 . 0 0 "[ . 1 . 2]" 1
667 1 71 PRO HB2 1 104 LEU QD . . 4.420 2.676 1.934 3.341 . 0 0 "[ . 1 . 2]" 1
668 1 71 PRO HB3 1 72 GLY H . . 4.340 4.146 4.087 4.230 . 0 0 "[ . 1 . 2]" 1
669 1 71 PRO HB3 1 74 LEU QD . . 4.610 3.587 3.432 3.699 . 0 0 "[ . 1 . 2]" 1
670 1 71 PRO QD 1 102 SER H . . 4.930 3.204 2.400 3.978 . 0 0 "[ . 1 . 2]" 1
671 1 71 PRO QG 1 72 GLY H . . 4.880 2.356 2.238 2.536 . 0 0 "[ . 1 . 2]" 1
672 1 71 PRO QG 1 102 SER H . . 4.810 4.155 3.548 4.819 0.009 16 0 "[ . 1 . 2]" 1
673 1 72 GLY H 1 74 LEU H . . 5.050 4.173 4.038 4.284 . 0 0 "[ . 1 . 2]" 1
674 1 72 GLY H 1 74 LEU QD . . 4.930 4.158 3.803 4.466 . 0 0 "[ . 1 . 2]" 1
675 1 72 GLY H 1 75 GLN H . . 4.920 4.776 4.697 4.923 0.003 16 0 "[ . 1 . 2]" 1
676 1 72 GLY QA 1 75 GLN H . . 3.780 3.533 3.437 3.676 . 0 0 "[ . 1 . 2]" 1
677 1 72 GLY QA 1 75 GLN QB . . 4.120 2.456 2.161 2.847 . 0 0 "[ . 1 . 2]" 1
678 1 72 GLY QA 1 75 GLN QG . . 3.950 3.454 2.670 3.871 . 0 0 "[ . 1 . 2]" 1
679 1 73 PHE H 1 73 PHE QB . . 3.040 2.198 2.103 2.263 . 0 0 "[ . 1 . 2]" 1
680 1 73 PHE H 1 74 LEU H . . 3.780 2.566 2.501 2.595 . 0 0 "[ . 1 . 2]" 1
681 1 73 PHE H 1 74 LEU HB3 . . 4.790 4.594 4.421 4.703 . 0 0 "[ . 1 . 2]" 1
682 1 73 PHE H 1 74 LEU QD . . 4.290 4.039 3.502 4.487 0.197 12 0 "[ . 1 . 2]" 1
683 1 73 PHE H 1 75 GLN H . . 4.230 3.675 3.589 3.803 . 0 0 "[ . 1 . 2]" 1
684 1 73 PHE H 1 75 GLN QB . . 4.860 4.472 4.260 4.799 . 0 0 "[ . 1 . 2]" 1
685 1 73 PHE HA 1 75 GLN H . . 3.920 3.774 3.657 3.962 0.042 20 0 "[ . 1 . 2]" 1
686 1 73 PHE HA 1 76 ASP H . . 4.430 4.109 3.211 4.475 0.045 19 0 "[ . 1 . 2]" 1
687 1 73 PHE QB 1 74 LEU H . . 3.370 2.509 2.373 2.640 . 0 0 "[ . 1 . 2]" 1
688 1 74 LEU H 1 74 LEU HB3 . . 3.070 2.207 2.073 2.332 . 0 0 "[ . 1 . 2]" 1
689 1 74 LEU H 1 74 LEU QD . . 3.310 2.681 2.090 3.177 . 0 0 "[ . 1 . 2]" 1
690 1 74 LEU H 1 75 GLN H . . 3.440 2.594 2.536 2.707 . 0 0 "[ . 1 . 2]" 1
691 1 74 LEU H 1 75 GLN QB . . 4.570 4.326 4.213 4.661 0.091 20 0 "[ . 1 . 2]" 1
692 1 74 LEU H 1 75 GLN QG . . 5.340 4.917 4.573 5.050 . 0 0 "[ . 1 . 2]" 1
693 1 74 LEU H 1 76 ASP H . . 4.620 4.388 4.192 4.536 . 0 0 "[ . 1 . 2]" 1
694 1 74 LEU HA 1 74 LEU QD . . 3.720 3.288 3.250 3.352 . 0 0 "[ . 1 . 2]" 1
695 1 74 LEU HB3 1 75 GLN H . . 4.000 3.946 3.740 4.116 0.116 8 0 "[ . 1 . 2]" 1
696 1 74 LEU QD 1 75 GLN H . . 3.730 2.882 2.271 3.597 . 0 0 "[ . 1 . 2]" 1
697 1 74 LEU QD 1 75 GLN QB . . 4.670 3.426 2.693 4.001 . 0 0 "[ . 1 . 2]" 1
698 1 74 LEU QD 1 76 ASP H . . 4.570 4.374 4.141 4.638 0.068 12 0 "[ . 1 . 2]" 1
699 1 75 GLN H 1 75 GLN HB2 . . 3.620 3.388 2.277 3.531 . 0 0 "[ . 1 . 2]" 1
700 1 75 GLN H 1 75 GLN QB . . 3.070 2.196 2.163 2.301 . 0 0 "[ . 1 . 2]" 1
701 1 75 GLN H 1 75 GLN HB3 . . 3.620 2.344 2.184 3.577 . 0 0 "[ . 1 . 2]" 1
702 1 75 GLN H 1 75 GLN QG . . 3.200 2.796 2.684 2.897 . 0 0 "[ . 1 . 2]" 1
703 1 75 GLN H 1 76 ASP H . . 2.990 2.568 2.389 2.607 . 0 0 "[ . 1 . 2]" 1
704 1 75 GLN H 1 76 ASP HA . . 5.280 5.118 4.970 5.167 . 0 0 "[ . 1 . 2]" 1
705 1 75 GLN H 1 76 ASP HB2 . . 4.590 4.464 4.187 4.605 0.015 1 0 "[ . 1 . 2]" 1
706 1 75 GLN HA 1 75 GLN QG . . 3.530 3.189 2.336 3.433 . 0 0 "[ . 1 . 2]" 1
707 1 75 GLN HA 1 76 ASP H . . 3.430 3.426 3.318 3.508 0.078 12 0 "[ . 1 . 2]" 1
708 1 75 GLN QB 1 76 ASP H . . 3.720 3.512 2.736 3.735 0.015 16 0 "[ . 1 . 2]" 1
709 1 75 GLN QB 1 76 ASP HA . . 5.120 4.633 3.887 4.791 . 0 0 "[ . 1 . 2]" 1
710 1 75 GLN HB2 1 76 ASP H . . 4.440 4.161 2.826 4.454 0.014 16 0 "[ . 1 . 2]" 1
711 1 75 GLN HB3 1 76 ASP H . . 4.440 3.832 3.582 4.010 . 0 0 "[ . 1 . 2]" 1
712 1 75 GLN QG 1 76 ASP H . . 3.970 2.700 2.334 4.311 0.341 12 0 "[ . 1 . 2]" 1
713 1 76 ASP H 1 76 ASP HB2 . . 3.190 2.166 2.089 2.277 . 0 0 "[ . 1 . 2]" 1
714 1 76 ASP H 1 76 ASP HB3 . . 3.570 3.467 3.377 3.544 . 0 0 "[ . 1 . 2]" 1
715 1 76 ASP H 1 78 TRP H . . 5.500 5.455 5.277 5.535 0.035 7 0 "[ . 1 . 2]" 1
716 1 76 ASP HA 1 77 PRO HB3 . . 5.090 4.863 4.830 4.871 . 0 0 "[ . 1 . 2]" 1
717 1 76 ASP HA 1 78 TRP H . . 4.570 4.269 4.051 4.357 . 0 0 "[ . 1 . 2]" 1
718 1 76 ASP HA 1 79 CYS H . . 5.230 5.020 4.940 5.090 . 0 0 "[ . 1 . 2]" 1
719 1 76 ASP HA 1 80 LYS H . . 5.500 5.400 5.139 5.538 0.038 19 0 "[ . 1 . 2]" 1
720 1 77 PRO HA 1 78 TRP H . . 3.560 3.531 3.512 3.546 . 0 0 "[ . 1 . 2]" 1
721 1 77 PRO HA 1 80 LYS H . . 3.830 3.514 3.286 3.609 . 0 0 "[ . 1 . 2]" 1
722 1 77 PRO HA 1 80 LYS HA . . 5.400 5.326 5.119 5.419 0.019 9 0 "[ . 1 . 2]" 1
723 1 77 PRO HA 1 80 LYS HB3 . . 3.620 2.411 2.226 2.502 . 0 0 "[ . 1 . 2]" 1
724 1 77 PRO HA 1 81 TYR H . . 4.720 3.809 3.684 4.092 . 0 0 "[ . 1 . 2]" 1
725 1 77 PRO HA 1 81 TYR HB2 . . 5.230 4.687 4.528 5.101 . 0 0 "[ . 1 . 2]" 1
726 1 77 PRO HB2 1 78 TRP H . . 3.770 3.289 3.196 3.398 . 0 0 "[ . 1 . 2]" 1
727 1 77 PRO HB3 1 78 TRP H . . 4.200 4.115 4.060 4.178 . 0 0 "[ . 1 . 2]" 1
728 1 77 PRO HG2 1 78 TRP HA . . 4.200 4.178 4.122 4.208 0.008 7 0 "[ . 1 . 2]" 1
729 1 77 PRO HG3 1 78 TRP H . . 4.120 3.842 3.759 3.942 . 0 0 "[ . 1 . 2]" 1
730 1 78 TRP H 1 78 TRP QB . . 3.690 2.242 2.194 2.255 . 0 0 "[ . 1 . 2]" 1
731 1 78 TRP H 1 78 TRP HD1 . . 5.150 4.961 4.772 5.153 0.003 15 0 "[ . 1 . 2]" 1
732 1 78 TRP H 1 79 CYS H . . 3.390 2.767 2.700 2.807 . 0 0 "[ . 1 . 2]" 1
733 1 78 TRP H 1 80 LYS HB3 . . 4.930 4.796 4.505 4.903 . 0 0 "[ . 1 . 2]" 1
734 1 78 TRP HA 1 78 TRP HD1 . . 4.350 4.139 2.568 4.362 0.012 3 0 "[ . 1 . 2]" 1
735 1 78 TRP HD1 1 79 CYS H . . 4.690 3.576 3.101 4.707 0.017 16 0 "[ . 1 . 2]" 1
736 1 79 CYS H 1 79 CYS QB . . 3.200 2.223 2.045 2.610 . 0 0 "[ . 1 . 2]" 1
737 1 79 CYS H 1 80 LYS H . . 3.340 2.620 2.536 2.674 . 0 0 "[ . 1 . 2]" 1
738 1 79 CYS QB 1 80 LYS H . . 3.430 2.782 2.618 3.432 0.002 16 0 "[ . 1 . 2]" 1
739 1 80 LYS H 1 80 LYS HB3 . . 3.100 2.161 2.147 2.196 . 0 0 "[ . 1 . 2]" 1
740 1 80 LYS H 1 80 LYS QE . . 5.340 5.362 5.194 5.401 0.061 4 0 "[ . 1 . 2]" 1
741 1 80 LYS H 1 80 LYS HG2 . . 4.710 4.494 4.476 4.524 . 0 0 "[ . 1 . 2]" 1
742 1 80 LYS H 1 80 LYS QG . . 3.950 3.765 3.747 3.821 . 0 0 "[ . 1 . 2]" 1
743 1 80 LYS H 1 80 LYS HG3 . . 4.710 4.041 4.021 4.121 . 0 0 "[ . 1 . 2]" 1
744 1 80 LYS H 1 81 TYR H . . 3.450 2.672 2.626 2.822 . 0 0 "[ . 1 . 2]" 1
745 1 80 LYS HA 1 80 LYS QD . . 3.570 2.236 2.166 2.286 . 0 0 "[ . 1 . 2]" 1
746 1 80 LYS HA 1 81 TYR HA . . 5.040 4.741 4.725 4.773 . 0 0 "[ . 1 . 2]" 1
747 1 80 LYS HA 1 82 GLN H . . 5.350 4.292 4.186 4.394 . 0 0 "[ . 1 . 2]" 1
748 1 80 LYS HA 1 83 MET H . . 4.100 3.576 3.513 3.648 . 0 0 "[ . 1 . 2]" 1
749 1 80 LYS HA 1 83 MET ME . . 3.680 2.240 1.962 2.365 . 0 0 "[ . 1 . 2]" 1
750 1 80 LYS HA 1 83 MET HG3 . . 4.520 3.306 3.030 3.478 . 0 0 "[ . 1 . 2]" 1
751 1 80 LYS HA 1 87 LEU HG . . 4.930 4.943 4.865 4.962 0.032 13 0 "[ . 1 . 2]" 1
752 1 80 LYS HB3 1 80 LYS QE . . 4.310 4.285 4.072 4.354 0.044 4 0 "[ . 1 . 2]" 1
753 1 80 LYS HB3 1 81 TYR H . . 3.330 2.765 2.634 2.890 . 0 0 "[ . 1 . 2]" 1
754 1 80 LYS HB3 1 81 TYR HA . . 4.820 4.773 4.685 4.808 . 0 0 "[ . 1 . 2]" 1
755 1 80 LYS HB3 1 81 TYR QD . . 4.070 3.915 3.754 4.066 . 0 0 "[ . 1 . 2]" 1
756 1 80 LYS QD 1 81 TYR HA . . 4.460 4.207 4.140 4.337 . 0 0 "[ . 1 . 2]" 1
757 1 80 LYS QD 1 83 MET ME . . 3.450 1.980 1.941 2.081 . 0 0 "[ . 1 . 2]" 1
758 1 80 LYS QD 1 87 LEU HG . . 4.480 4.056 3.806 4.152 . 0 0 "[ . 1 . 2]" 1
759 1 80 LYS HD2 1 81 TYR HA . . 5.330 4.409 4.332 4.596 . 0 0 "[ . 1 . 2]" 1
760 1 80 LYS HD2 1 83 MET ME . . 3.940 2.012 1.970 2.122 . 0 0 "[ . 1 . 2]" 1
761 1 80 LYS HD3 1 81 TYR HA . . 5.330 5.321 5.252 5.351 0.021 17 0 "[ . 1 . 2]" 1
762 1 80 LYS HD3 1 83 MET ME . . 3.940 2.956 2.887 3.060 . 0 0 "[ . 1 . 2]" 1
763 1 80 LYS QE 1 83 MET HG3 . . 4.170 4.123 3.611 4.190 0.020 10 0 "[ . 1 . 2]" 1
764 1 80 LYS QE 1 84 LEU H . . 4.700 4.141 3.701 4.429 . 0 0 "[ . 1 . 2]" 1
765 1 80 LYS QE 1 84 LEU HB3 . . 5.140 3.387 3.085 3.656 . 0 0 "[ . 1 . 2]" 1
766 1 80 LYS QE 1 84 LEU QD . . 4.950 4.152 3.806 4.509 . 0 0 "[ . 1 . 2]" 1
767 1 80 LYS HE2 1 83 MET ME . . 4.470 4.065 3.801 4.469 . 0 0 "[ . 1 . 2]" 1
768 1 80 LYS HE2 1 83 MET HG3 . . 5.020 4.810 4.617 5.067 0.047 12 0 "[ . 1 . 2]" 1
769 1 80 LYS HE2 1 87 LEU MD1 . . 4.600 2.874 2.556 3.285 . 0 0 "[ . 1 . 2]" 1
770 1 80 LYS HE3 1 83 MET ME . . 4.470 3.563 3.474 3.734 . 0 0 "[ . 1 . 2]" 1
771 1 80 LYS HE3 1 83 MET HG3 . . 5.020 4.531 3.698 4.790 . 0 0 "[ . 1 . 2]" 1
772 1 80 LYS HE3 1 87 LEU MD1 . . 4.600 1.915 1.871 1.949 . 0 0 "[ . 1 . 2]" 1
773 1 80 LYS QG 1 81 TYR HA . . 4.180 2.994 2.972 3.012 . 0 0 "[ . 1 . 2]" 1
774 1 80 LYS QG 1 81 TYR QE . . 4.400 4.120 3.916 4.351 . 0 0 "[ . 1 . 2]" 1
775 1 80 LYS HG2 1 81 TYR H . . 4.910 4.160 4.054 4.265 . 0 0 "[ . 1 . 2]" 1
776 1 80 LYS HG2 1 81 TYR HA . . 4.760 4.778 4.749 4.797 0.037 16 0 "[ . 1 . 2]" 1
777 1 80 LYS HG2 1 83 MET ME . . 4.400 4.160 4.069 4.225 . 0 0 "[ . 1 . 2]" 1
778 1 80 LYS HG3 1 81 TYR H . . 4.910 2.793 2.675 2.882 . 0 0 "[ . 1 . 2]" 1
779 1 80 LYS HG3 1 81 TYR HA . . 4.760 3.026 3.002 3.044 . 0 0 "[ . 1 . 2]" 1
780 1 80 LYS HG3 1 83 MET ME . . 4.400 4.275 4.134 4.374 . 0 0 "[ . 1 . 2]" 1
781 1 81 TYR H 1 81 TYR HB2 . . 3.070 2.117 2.096 2.130 . 0 0 "[ . 1 . 2]" 1
782 1 81 TYR H 1 81 TYR HB3 . . 3.580 3.414 3.383 3.442 . 0 0 "[ . 1 . 2]" 1
783 1 81 TYR H 1 81 TYR QD . . 3.850 2.965 2.865 3.067 . 0 0 "[ . 1 . 2]" 1
784 1 81 TYR H 1 81 TYR QE . . 5.260 5.148 5.033 5.241 . 0 0 "[ . 1 . 2]" 1
785 1 81 TYR H 1 83 MET ME . . 5.230 5.139 4.912 5.263 0.033 12 0 "[ . 1 . 2]" 1
786 1 81 TYR HA 1 81 TYR QD . . 3.710 2.953 2.832 3.019 . 0 0 "[ . 1 . 2]" 1
787 1 81 TYR HA 1 81 TYR QE . . 4.720 4.449 4.417 4.469 . 0 0 "[ . 1 . 2]" 1
788 1 81 TYR HA 1 84 LEU H . . 3.970 3.798 3.753 3.864 . 0 0 "[ . 1 . 2]" 1
789 1 81 TYR HA 1 84 LEU HB2 . . 4.480 4.137 3.817 4.544 0.064 4 0 "[ . 1 . 2]" 1
790 1 81 TYR HA 1 84 LEU HB3 . . 4.220 2.847 2.675 2.996 . 0 0 "[ . 1 . 2]" 1
791 1 81 TYR HA 1 84 LEU QD . . 4.210 3.528 3.376 3.947 . 0 0 "[ . 1 . 2]" 1
792 1 81 TYR HB3 1 82 GLN H . . 3.610 3.369 3.299 3.417 . 0 0 "[ . 1 . 2]" 1
793 1 81 TYR HB3 1 84 LEU H . . 5.480 5.277 5.234 5.296 . 0 0 "[ . 1 . 2]" 1
794 1 81 TYR QD 1 82 GLN H . . 4.820 4.698 4.670 4.732 . 0 0 "[ . 1 . 2]" 1
795 1 81 TYR QD 1 82 GLN HA . . 5.500 5.455 5.355 5.508 0.008 2 0 "[ . 1 . 2]" 1
796 1 82 GLN H 1 82 GLN HB3 . . 3.450 3.037 2.479 3.470 0.020 14 0 "[ . 1 . 2]" 1
797 1 82 GLN H 1 83 MET H . . 3.530 2.480 2.451 2.521 . 0 0 "[ . 1 . 2]" 1
798 1 82 GLN H 1 83 MET HA . . 5.340 5.133 5.111 5.166 . 0 0 "[ . 1 . 2]" 1
799 1 82 GLN H 1 83 MET HG2 . . 4.640 4.062 3.829 4.178 . 0 0 "[ . 1 . 2]" 1
800 1 82 GLN H 1 84 LEU H . . 4.320 3.758 3.674 3.887 . 0 0 "[ . 1 . 2]" 1
801 1 82 GLN HA 1 84 LEU H . . 5.070 3.539 3.458 3.592 . 0 0 "[ . 1 . 2]" 1
802 1 82 GLN HA 1 85 GLN H . . 4.980 4.812 4.739 4.996 0.016 15 0 "[ . 1 . 2]" 1
803 1 82 GLN HB2 1 83 MET H . . 4.130 3.320 2.836 3.920 . 0 0 "[ . 1 . 2]" 1
804 1 82 GLN HB3 1 84 LEU H . . 4.740 4.672 4.532 4.759 0.019 14 0 "[ . 1 . 2]" 1
805 1 82 GLN HB3 1 85 GLN HE21 . . 5.440 4.893 4.511 5.457 0.017 8 0 "[ . 1 . 2]" 1
806 1 82 GLN HB3 1 85 GLN HE22 . . 4.940 4.160 3.602 4.932 . 0 0 "[ . 1 . 2]" 1
807 1 83 MET H 1 83 MET ME . . 4.600 4.552 4.448 4.610 0.010 17 0 "[ . 1 . 2]" 1
808 1 83 MET H 1 83 MET HG2 . . 3.400 2.301 2.040 2.352 . 0 0 "[ . 1 . 2]" 1
809 1 83 MET H 1 83 MET HG3 . . 3.550 3.568 3.390 3.617 0.067 1 0 "[ . 1 . 2]" 1
810 1 83 MET H 1 84 LEU HB3 . . 4.700 4.478 4.414 4.652 . 0 0 "[ . 1 . 2]" 1
811 1 83 MET H 1 87 LEU HG . . 5.120 5.037 4.939 5.096 . 0 0 "[ . 1 . 2]" 1
812 1 83 MET HA 1 83 MET HG2 . . 3.750 3.754 3.701 3.800 0.050 4 0 "[ . 1 . 2]" 1
813 1 83 MET HA 1 85 GLN H . . 3.880 3.369 3.214 3.397 . 0 0 "[ . 1 . 2]" 1
814 1 83 MET HA 1 85 GLN HE21 . . 4.790 2.314 2.222 2.435 . 0 0 "[ . 1 . 2]" 1
815 1 83 MET HA 1 85 GLN HE22 . . 4.970 3.316 3.284 3.363 . 0 0 "[ . 1 . 2]" 1
816 1 83 MET HA 1 85 GLN HG2 . . 4.200 3.108 3.086 3.163 . 0 0 "[ . 1 . 2]" 1
817 1 83 MET HA 1 86 ALA H . . 3.830 3.294 3.185 3.330 . 0 0 "[ . 1 . 2]" 1
818 1 83 MET HA 1 86 ALA MB . . 3.940 3.505 3.405 3.577 . 0 0 "[ . 1 . 2]" 1
819 1 83 MET HA 1 87 LEU HG . . 4.900 4.646 4.625 4.687 . 0 0 "[ . 1 . 2]" 1
820 1 83 MET HB2 1 84 LEU HA . . 5.200 5.139 5.010 5.224 0.024 15 0 "[ . 1 . 2]" 1
821 1 83 MET HB2 1 85 GLN HE21 . . 5.010 4.245 4.158 4.418 . 0 0 "[ . 1 . 2]" 1
822 1 83 MET HB2 1 85 GLN HE22 . . 5.500 5.517 5.473 5.593 0.093 20 0 "[ . 1 . 2]" 1
823 1 83 MET HB2 1 86 ALA H . . 4.440 3.945 3.735 4.018 . 0 0 "[ . 1 . 2]" 1
824 1 83 MET HB2 1 87 LEU H . . 4.870 4.739 4.397 4.803 . 0 0 "[ . 1 . 2]" 1
825 1 83 MET HB2 1 113 LEU QD . . 4.870 4.592 3.745 4.908 0.038 19 0 "[ . 1 . 2]" 1
826 1 83 MET HB3 1 87 LEU MD2 . . 4.460 4.469 4.372 4.497 0.037 14 0 "[ . 1 . 2]" 1
827 1 83 MET HB3 1 87 LEU HG . . 5.100 4.909 4.845 5.009 . 0 0 "[ . 1 . 2]" 1
828 1 83 MET ME 1 83 MET HG3 . . 3.440 2.331 2.230 2.423 . 0 0 "[ . 1 . 2]" 1
829 1 83 MET ME 1 87 LEU MD2 . . 3.070 2.064 1.920 2.318 . 0 0 "[ . 1 . 2]" 1
830 1 83 MET ME 1 87 LEU HG . . 3.530 3.292 3.190 3.491 . 0 0 "[ . 1 . 2]" 1
831 1 83 MET ME 1 113 LEU H . . 5.270 4.815 3.820 5.274 0.004 6 0 "[ . 1 . 2]" 1
832 1 83 MET ME 1 113 LEU HA . . 5.410 4.925 3.478 5.420 0.010 11 0 "[ . 1 . 2]" 1
833 1 83 MET ME 1 113 LEU MD1 . . 3.810 2.635 1.867 3.848 0.038 12 0 "[ . 1 . 2]" 1
834 1 83 MET ME 1 113 LEU MD2 . . 3.810 3.347 1.911 3.815 0.005 1 0 "[ . 1 . 2]" 1
835 1 83 MET HG2 1 84 LEU H . . 3.640 3.344 3.228 3.609 . 0 0 "[ . 1 . 2]" 1
836 1 83 MET HG2 1 84 LEU HA . . 4.580 4.230 4.145 4.454 . 0 0 "[ . 1 . 2]" 1
837 1 83 MET HG2 1 86 ALA MB . . 5.240 5.165 4.933 5.243 0.003 12 0 "[ . 1 . 2]" 1
838 1 83 MET HG3 1 84 LEU H . . 4.000 3.687 3.655 3.737 . 0 0 "[ . 1 . 2]" 1
839 1 83 MET HG3 1 85 GLN H . . 5.480 5.062 4.983 5.173 . 0 0 "[ . 1 . 2]" 1
840 1 83 MET HG3 1 86 ALA H . . 5.290 4.474 4.279 4.677 . 0 0 "[ . 1 . 2]" 1
841 1 83 MET HG3 1 87 LEU H . . 5.310 4.179 3.978 4.392 . 0 0 "[ . 1 . 2]" 1
842 1 83 MET HG3 1 113 LEU QD . . 5.290 4.190 3.661 4.638 . 0 0 "[ . 1 . 2]" 1
843 1 84 LEU H 1 84 LEU HB2 . . 3.540 3.488 3.444 3.569 0.029 8 0 "[ . 1 . 2]" 1
844 1 84 LEU H 1 84 LEU HB3 . . 3.340 2.194 2.122 2.372 . 0 0 "[ . 1 . 2]" 1
845 1 84 LEU H 1 84 LEU QD . . 3.410 2.264 1.775 3.170 . 0 0 "[ . 1 . 2]" 1
846 1 84 LEU H 1 85 GLN HE22 . . 5.180 5.211 5.030 5.271 0.091 3 0 "[ . 1 . 2]" 1
847 1 84 LEU HA 1 84 LEU MD1 . . 3.690 3.889 3.435 4.041 0.351 11 0 "[ . 1 . 2]" 1
848 1 84 LEU HA 1 84 LEU QD . . 3.190 3.305 2.987 3.334 0.144 11 0 "[ . 1 . 2]" 1
849 1 84 LEU HA 1 84 LEU MD2 . . 3.690 3.641 3.283 4.083 0.393 4 0 "[ . 1 . 2]" 1
850 1 84 LEU HA 1 89 GLU H . . 4.260 4.390 4.363 4.497 0.237 20 0 "[ . 1 . 2]" 1
851 1 84 LEU HA 1 89 GLU HB2 . . 4.630 4.643 4.624 4.677 0.047 20 0 "[ . 1 . 2]" 1
852 1 84 LEU HB2 1 84 LEU MD1 . . 3.670 2.184 2.083 3.180 . 0 0 "[ . 1 . 2]" 1
853 1 84 LEU HB2 1 84 LEU MD2 . . 3.670 3.007 2.173 3.179 . 0 0 "[ . 1 . 2]" 1
854 1 84 LEU HB2 1 85 GLN H . . 4.660 4.144 3.991 4.211 . 0 0 "[ . 1 . 2]" 1
855 1 84 LEU HB2 1 89 GLU HB2 . . 4.120 4.068 3.795 4.172 0.052 20 0 "[ . 1 . 2]" 1
856 1 84 LEU HB3 1 85 GLN H . . 4.060 3.780 3.697 3.962 . 0 0 "[ . 1 . 2]" 1
857 1 84 LEU QD 1 85 GLN H . . 4.330 2.071 1.817 2.515 . 0 0 "[ . 1 . 2]" 1
858 1 84 LEU QD 1 85 GLN HA . . 3.550 2.943 2.172 3.177 . 0 0 "[ . 1 . 2]" 1
859 1 84 LEU QD 1 85 GLN HG3 . . 4.630 4.615 4.130 4.811 0.181 5 0 "[ . 1 . 2]" 1
860 1 85 GLN H 1 85 GLN HB3 . . 3.030 2.507 2.487 2.569 . 0 0 "[ . 1 . 2]" 1
861 1 85 GLN H 1 85 GLN HE22 . . 4.620 4.328 4.210 4.371 . 0 0 "[ . 1 . 2]" 1
862 1 85 GLN H 1 85 GLN HG2 . . 4.380 2.444 2.413 2.455 . 0 0 "[ . 1 . 2]" 1
863 1 85 GLN H 1 85 GLN HG3 . . 4.440 3.833 3.799 3.847 . 0 0 "[ . 1 . 2]" 1
864 1 85 GLN HA 1 85 GLN HG2 . . 3.630 3.572 3.566 3.575 . 0 0 "[ . 1 . 2]" 1
865 1 85 GLN HA 1 86 ALA HA . . 4.850 4.657 4.654 4.665 . 0 0 "[ . 1 . 2]" 1
866 1 85 GLN HA 1 86 ALA MB . . 5.010 4.984 4.979 4.990 . 0 0 "[ . 1 . 2]" 1
867 1 85 GLN HA 1 88 THR H . . 4.540 4.247 4.197 4.269 . 0 0 "[ . 1 . 2]" 1
868 1 85 GLN HA 1 90 ALA HA . . 4.030 3.979 3.934 4.057 0.027 20 0 "[ . 1 . 2]" 1
869 1 85 GLN HA 1 90 ALA MB . . 4.440 4.441 4.396 4.480 0.040 20 0 "[ . 1 . 2]" 1
870 1 85 GLN HB2 1 86 ALA H . . 4.030 3.913 3.905 3.945 . 0 0 "[ . 1 . 2]" 1
871 1 85 GLN HB2 1 86 ALA HA . . 4.700 4.647 4.622 4.666 . 0 0 "[ . 1 . 2]" 1
872 1 85 GLN HB3 1 85 GLN HG2 . . 2.940 2.796 2.782 2.826 . 0 0 "[ . 1 . 2]" 1
873 1 85 GLN HB3 1 85 GLN HG3 . . 3.000 2.866 2.840 2.879 . 0 0 "[ . 1 . 2]" 1
874 1 85 GLN HB3 1 86 ALA H . . 4.170 3.955 3.940 3.988 . 0 0 "[ . 1 . 2]" 1
875 1 85 GLN HE21 1 86 ALA HA . . 5.500 5.564 5.448 5.590 0.090 6 0 "[ . 1 . 2]" 1
876 1 85 GLN HE22 1 85 GLN HG3 . . 3.900 3.777 3.761 3.795 . 0 0 "[ . 1 . 2]" 1
877 1 85 GLN HE22 1 86 ALA H . . 5.120 5.061 4.983 5.078 . 0 0 "[ . 1 . 2]" 1
878 1 85 GLN HG2 1 86 ALA H . . 3.650 1.902 1.886 1.929 . 0 0 "[ . 1 . 2]" 1
879 1 85 GLN HG2 1 86 ALA HA . . 4.380 3.826 3.723 3.852 . 0 0 "[ . 1 . 2]" 1
880 1 85 GLN HG3 1 86 ALA HA . . 4.610 4.161 4.110 4.262 . 0 0 "[ . 1 . 2]" 1
881 1 85 GLN HG3 1 86 ALA MB . . 3.810 3.501 3.426 3.615 . 0 0 "[ . 1 . 2]" 1
882 1 85 GLN HG3 1 97 THR MG . . 4.450 4.045 3.000 4.465 0.015 6 0 "[ . 1 . 2]" 1
883 1 86 ALA H 1 86 ALA MB . . 2.990 2.293 2.222 2.304 . 0 0 "[ . 1 . 2]" 1
884 1 86 ALA H 1 87 LEU HA . . 5.110 4.912 4.906 4.928 . 0 0 "[ . 1 . 2]" 1
885 1 86 ALA H 1 87 LEU MD2 . . 4.010 3.972 3.772 4.030 0.020 4 0 "[ . 1 . 2]" 1
886 1 86 ALA H 1 87 LEU HG . . 4.300 3.812 3.775 3.894 . 0 0 "[ . 1 . 2]" 1
887 1 86 ALA H 1 88 THR H . . 4.830 4.645 4.634 4.670 . 0 0 "[ . 1 . 2]" 1
888 1 86 ALA HA 1 87 LEU MD2 . . 4.800 4.576 4.425 4.644 . 0 0 "[ . 1 . 2]" 1
889 1 86 ALA MB 1 87 LEU H . . 3.510 3.056 3.042 3.075 . 0 0 "[ . 1 . 2]" 1
890 1 86 ALA MB 1 87 LEU MD2 . . 3.510 2.799 2.656 2.939 . 0 0 "[ . 1 . 2]" 1
891 1 86 ALA MB 1 97 THR MG . . 3.340 2.750 2.012 3.350 0.010 8 0 "[ . 1 . 2]" 1
892 1 87 LEU H 1 87 LEU QB . . 3.120 2.451 2.416 2.473 . 0 0 "[ . 1 . 2]" 1
893 1 87 LEU H 1 87 LEU MD1 . . 4.200 3.966 3.947 4.006 . 0 0 "[ . 1 . 2]" 1
894 1 87 LEU H 1 87 LEU MD2 . . 3.400 2.836 2.702 2.944 . 0 0 "[ . 1 . 2]" 1
895 1 87 LEU H 1 87 LEU HG . . 4.290 2.523 2.491 2.590 . 0 0 "[ . 1 . 2]" 1
896 1 87 LEU H 1 88 THR H . . 3.240 2.706 2.690 2.741 . 0 0 "[ . 1 . 2]" 1
897 1 87 LEU HA 1 87 LEU MD1 . . 3.830 3.699 3.652 3.716 . 0 0 "[ . 1 . 2]" 1
898 1 87 LEU HA 1 87 LEU MD2 . . 3.140 2.014 1.923 2.049 . 0 0 "[ . 1 . 2]" 1
899 1 87 LEU HA 1 87 LEU HG . . 3.570 3.440 3.421 3.498 . 0 0 "[ . 1 . 2]" 1
900 1 87 LEU QB 1 87 LEU MD1 . . 3.250 2.035 1.998 2.097 . 0 0 "[ . 1 . 2]" 1
901 1 87 LEU QB 1 88 THR H . . 3.300 2.036 2.028 2.046 . 0 0 "[ . 1 . 2]" 1
902 1 87 LEU HB2 1 88 THR H . . 3.800 2.060 2.050 2.073 . 0 0 "[ . 1 . 2]" 1
903 1 87 LEU HB3 1 88 THR H . . 3.800 3.192 3.137 3.222 . 0 0 "[ . 1 . 2]" 1
904 1 87 LEU MD1 1 112 GLU HA . . 5.190 4.491 3.263 5.207 0.017 17 0 "[ . 1 . 2]" 1
905 1 87 LEU MD1 1 113 LEU H . . 4.850 4.428 3.608 4.861 0.011 11 0 "[ . 1 . 2]" 1
906 1 87 LEU MD2 1 88 THR H . . 4.330 4.338 4.296 4.356 0.026 4 0 "[ . 1 . 2]" 1
907 1 87 LEU MD2 1 112 GLU HA . . 5.300 4.761 3.985 5.287 . 0 0 "[ . 1 . 2]" 1
908 1 88 THR H 1 88 THR HB . . 3.550 3.019 2.929 3.431 . 0 0 "[ . 1 . 2]" 1
909 1 88 THR H 1 89 GLU HB2 . . 3.840 3.820 3.813 3.824 . 0 0 "[ . 1 . 2]" 1
910 1 88 THR H 1 89 GLU QG . . 4.960 4.408 4.384 4.447 . 0 0 "[ . 1 . 2]" 1
911 1 88 THR HB 1 89 GLU HG2 . . 4.520 4.292 3.967 4.418 . 0 0 "[ . 1 . 2]" 1
912 1 88 THR HB 1 89 GLU QG . . 3.890 3.568 3.517 3.748 . 0 0 "[ . 1 . 2]" 1
913 1 88 THR HB 1 89 GLU HG3 . . 4.520 3.832 3.701 4.127 . 0 0 "[ . 1 . 2]" 1
914 1 89 GLU H 1 89 GLU QG . . 4.400 2.906 2.874 2.953 . 0 0 "[ . 1 . 2]" 1
915 1 89 GLU HA 1 89 GLU HG2 . . 3.500 2.184 2.149 2.214 . 0 0 "[ . 1 . 2]" 1
916 1 89 GLU HA 1 89 GLU QG . . 3.030 2.148 2.125 2.171 . 0 0 "[ . 1 . 2]" 1
917 1 89 GLU HA 1 89 GLU HG3 . . 3.500 3.197 3.117 3.393 . 0 0 "[ . 1 . 2]" 1
918 1 89 GLU HB2 1 89 GLU HG2 . . 2.980 2.957 2.885 2.980 . 0 0 "[ . 1 . 2]" 1
919 1 89 GLU HB2 1 89 GLU HG3 . . 2.980 2.272 2.216 2.301 . 0 0 "[ . 1 . 2]" 1
920 1 89 GLU HB2 1 90 ALA H . . 4.560 4.453 4.445 4.462 . 0 0 "[ . 1 . 2]" 1
921 1 92 GLY QA 1 93 ALA MB . . 4.510 3.827 3.533 4.050 . 0 0 "[ . 1 . 2]" 1
922 1 93 ALA HA 1 94 GLU QB . . 5.340 5.209 4.750 5.354 0.014 7 0 "[ . 1 . 2]" 1
923 1 93 ALA MB 1 94 GLU H . . 3.830 2.295 1.952 3.506 . 0 0 "[ . 1 . 2]" 1
924 1 93 ALA MB 1 94 GLU QB . . 4.270 3.665 3.339 4.219 . 0 0 "[ . 1 . 2]" 1
925 1 94 GLU H 1 95 GLY H . . 4.950 4.533 4.354 4.648 . 0 0 "[ . 1 . 2]" 1
926 1 94 GLU H 1 95 GLY QA . . 5.340 5.036 4.737 5.323 . 0 0 "[ . 1 . 2]" 1
927 1 94 GLU HA 1 95 GLY QA . . 4.530 3.987 3.910 4.069 . 0 0 "[ . 1 . 2]" 1
928 1 94 GLU QB 1 95 GLY H . . 4.080 2.907 2.382 3.840 . 0 0 "[ . 1 . 2]" 1
929 1 95 GLY H 1 96 CYS H . . 5.430 2.400 1.989 2.750 . 0 0 "[ . 1 . 2]" 1
930 1 95 GLY QA 1 96 CYS H . . 3.070 2.681 2.634 2.846 . 0 0 "[ . 1 . 2]" 1
931 1 96 CYS H 1 96 CYS QB . . 3.480 2.309 2.139 2.581 . 0 0 "[ . 1 . 2]" 1
932 1 96 CYS H 1 97 THR H . . 4.890 4.543 4.293 4.607 . 0 0 "[ . 1 . 2]" 1
933 1 96 CYS H 1 97 THR MG . . 5.120 4.884 4.572 5.133 0.013 14 0 "[ . 1 . 2]" 1
934 1 97 THR H 1 97 THR MG . . 3.710 2.631 2.257 3.024 . 0 0 "[ . 1 . 2]" 1
935 1 97 THR H 1 98 ILE H . . 5.120 4.545 4.462 4.617 . 0 0 "[ . 1 . 2]" 1
936 1 97 THR H 1 98 ILE MG . . 5.500 5.025 4.522 5.549 0.049 16 0 "[ . 1 . 2]" 1
937 1 97 THR HA 1 97 THR MG . . 3.670 2.383 2.315 2.447 . 0 0 "[ . 1 . 2]" 1
938 1 97 THR HA 1 98 ILE H . . 3.240 2.348 2.221 2.374 . 0 0 "[ . 1 . 2]" 1
939 1 97 THR HA 1 98 ILE MG . . 4.210 3.520 3.414 3.595 . 0 0 "[ . 1 . 2]" 1
940 1 97 THR HB 1 98 ILE H . . 4.240 2.540 2.464 2.916 . 0 0 "[ . 1 . 2]" 1
941 1 97 THR HB 1 98 ILE MG . . 4.680 4.625 4.304 4.814 0.134 3 0 "[ . 1 . 2]" 1
942 1 98 ILE H 1 98 ILE HB . . 3.820 3.618 3.110 3.801 . 0 0 "[ . 1 . 2]" 1
943 1 98 ILE H 1 98 ILE MD . . 4.740 4.028 3.464 4.765 0.025 12 0 "[ . 1 . 2]" 1
944 1 98 ILE H 1 98 ILE QG . . 4.250 2.729 1.903 4.146 . 0 0 "[ . 1 . 2]" 1
945 1 98 ILE H 1 98 ILE MG . . 3.430 2.590 1.988 3.004 . 0 0 "[ . 1 . 2]" 1
946 1 98 ILE HA 1 98 ILE MD . . 3.900 3.890 3.529 4.129 0.229 2 0 "[ . 1 . 2]" 1
947 1 98 ILE HB 1 98 ILE MD . . 3.600 2.309 1.999 3.140 . 0 0 "[ . 1 . 2]" 1
948 1 98 ILE HB 1 134 ALA MB . . 4.420 3.048 1.996 4.466 0.046 16 0 "[ . 1 . 2]" 1
949 1 98 ILE MD 1 134 ALA HA . . 4.450 3.668 2.319 4.465 0.015 15 0 "[ . 1 . 2]" 1
950 1 98 ILE MD 1 134 ALA MB . . 3.180 1.952 1.777 2.364 . 0 0 "[ . 1 . 2]" 1
951 1 98 ILE MD 1 135 VAL HA . . 4.620 3.480 2.345 4.651 0.031 16 0 "[ . 1 . 2]" 1
952 1 98 ILE MG 1 134 ALA HA . . 4.420 4.316 3.799 4.526 0.106 16 0 "[ . 1 . 2]" 1
953 1 98 ILE MG 1 134 ALA MB . . 3.340 2.540 2.250 3.179 . 0 0 "[ . 1 . 2]" 1
954 1 98 ILE MG 1 135 VAL HA . . 3.420 3.129 2.503 3.459 0.039 12 0 "[ . 1 . 2]" 1
955 1 98 ILE MG 1 135 VAL HB . . 4.110 3.953 3.601 4.143 0.033 19 0 "[ . 1 . 2]" 1
956 1 99 PRO HA 1 100 LEU H . . 3.350 2.160 2.152 2.203 . 0 0 "[ . 1 . 2]" 1
957 1 99 PRO QB 1 113 LEU QD . . 3.740 3.149 2.304 3.746 0.006 15 0 "[ . 1 . 2]" 1
958 1 99 PRO QB 1 119 VAL QG . . 3.870 3.041 2.463 3.943 0.073 19 0 "[ . 1 . 2]" 1
959 1 100 LEU H 1 100 LEU HB2 . . 3.460 2.569 2.150 2.835 . 0 0 "[ . 1 . 2]" 1
960 1 100 LEU H 1 100 LEU HB3 . . 3.460 2.808 2.511 3.531 0.071 19 0 "[ . 1 . 2]" 1
961 1 100 LEU H 1 100 LEU QD . . 4.090 3.543 3.046 3.696 . 0 0 "[ . 1 . 2]" 1
962 1 100 LEU H 1 119 VAL QG . . 5.280 5.082 4.282 5.372 0.092 19 0 "[ . 1 . 2]" 1
963 1 100 LEU H 1 131 VAL QG . . 4.660 4.201 3.339 4.724 0.064 16 0 "[ . 1 . 2]" 1
964 1 100 LEU HA 1 100 LEU QD . . 4.160 1.956 1.909 2.090 . 0 0 "[ . 1 . 2]" 1
965 1 100 LEU HA 1 101 LEU H . . 3.510 2.166 2.140 2.230 . 0 0 "[ . 1 . 2]" 1
966 1 100 LEU HA 1 131 VAL QG . . 4.880 4.584 4.141 4.921 0.041 4 0 "[ . 1 . 2]" 1
967 1 100 LEU QB 1 100 LEU QD . . 2.680 1.982 1.935 2.023 . 0 0 "[ . 1 . 2]" 1
968 1 100 LEU QB 1 131 VAL QG . . 3.930 2.361 1.898 2.706 . 0 0 "[ . 1 . 2]" 1
969 1 100 LEU QD 1 101 LEU H . . 3.460 2.450 1.877 3.101 . 0 0 "[ . 1 . 2]" 1
970 1 100 LEU QD 1 101 LEU HA . . 4.730 3.408 2.983 4.638 . 0 0 "[ . 1 . 2]" 1
971 1 100 LEU QD 1 119 VAL QG . . 4.330 4.198 3.589 4.373 0.043 11 0 "[ . 1 . 2]" 1
972 1 100 LEU QD 1 120 ASP QB . . 5.280 3.083 1.703 4.401 . 0 0 "[ . 1 . 2]" 1
973 1 100 LEU QD 1 121 GLY H . . 4.240 3.983 2.816 4.268 0.028 11 0 "[ . 1 . 2]" 1
974 1 100 LEU QD 1 121 GLY QA . . 3.630 2.397 1.721 3.778 0.148 19 0 "[ . 1 . 2]" 1
975 1 100 LEU QD 1 127 GLY H . . 4.740 4.188 3.799 4.706 . 0 0 "[ . 1 . 2]" 1
976 1 100 LEU QD 1 127 GLY QA . . 3.830 2.891 2.064 3.849 0.019 12 0 "[ . 1 . 2]" 1
977 1 100 LEU QD 1 128 PHE H . . 5.440 4.300 3.502 5.118 . 0 0 "[ . 1 . 2]" 1
978 1 100 LEU QD 1 130 GLN HA . . 5.170 4.514 3.638 5.163 . 0 0 "[ . 1 . 2]" 1
979 1 100 LEU QD 1 130 GLN QB . . 3.750 2.494 1.894 2.890 . 0 0 "[ . 1 . 2]" 1
980 1 100 LEU QD 1 131 VAL H . . 3.680 3.455 2.771 3.695 0.015 8 0 "[ . 1 . 2]" 1
981 1 100 LEU QD 1 131 VAL HA . . 3.560 2.725 1.881 3.570 0.010 15 0 "[ . 1 . 2]" 1
982 1 100 LEU QD 1 131 VAL HB . . 4.610 3.694 2.248 4.622 0.012 11 0 "[ . 1 . 2]" 1
983 1 100 LEU MD1 1 130 GLN HB2 . . 6.130 4.304 3.292 5.561 . 0 0 "[ . 1 . 2]" 1
984 1 100 LEU MD1 1 130 GLN HB3 . . 6.130 3.063 1.979 4.461 . 0 0 "[ . 1 . 2]" 1
985 1 100 LEU MD1 1 131 VAL H . . 4.300 3.966 2.828 4.314 0.014 2 0 "[ . 1 . 2]" 1
986 1 100 LEU MD1 1 131 VAL HA . . 5.040 4.127 3.244 5.015 . 0 0 "[ . 1 . 2]" 1
987 1 100 LEU MD2 1 130 GLN HB2 . . 6.130 4.378 3.820 5.075 . 0 0 "[ . 1 . 2]" 1
988 1 100 LEU MD2 1 130 GLN HB3 . . 6.130 3.001 2.465 3.629 . 0 0 "[ . 1 . 2]" 1
989 1 100 LEU MD2 1 131 VAL H . . 4.300 3.899 2.905 4.326 0.026 8 0 "[ . 1 . 2]" 1
990 1 100 LEU MD2 1 131 VAL HA . . 5.040 2.787 1.884 3.737 . 0 0 "[ . 1 . 2]" 1
991 1 100 LEU HG 1 131 VAL H . . 3.600 3.349 2.878 3.607 0.007 7 0 "[ . 1 . 2]" 1
992 1 100 LEU HG 1 131 VAL HA . . 4.190 2.734 2.076 3.698 . 0 0 "[ . 1 . 2]" 1
993 1 101 LEU H 1 102 SER H . . 4.580 4.391 4.037 4.552 . 0 0 "[ . 1 . 2]" 1
994 1 101 LEU H 1 119 VAL HB . . 4.390 3.633 2.508 4.402 0.012 19 0 "[ . 1 . 2]" 1
995 1 101 LEU H 1 119 VAL QG . . 3.810 3.204 2.060 3.818 0.008 12 0 "[ . 1 . 2]" 1
996 1 101 LEU QB 1 102 SER H . . 4.430 3.117 2.689 3.807 . 0 0 "[ . 1 . 2]" 1
997 1 101 LEU QB 1 119 VAL HB . . 4.750 2.855 1.976 4.130 . 0 0 "[ . 1 . 2]" 1
998 1 101 LEU QB 1 119 VAL QG . . 3.330 2.260 1.800 2.874 . 0 0 "[ . 1 . 2]" 1
999 1 101 LEU QD 1 119 VAL QG . . 3.890 2.321 1.751 3.170 . 0 0 "[ . 1 . 2]" 1
1000 1 104 LEU H 1 104 LEU QB . . 3.600 2.579 2.255 3.298 . 0 0 "[ . 1 . 2]" 1
1001 1 104 LEU H 1 109 TYR QE . . 5.360 4.818 3.537 5.405 0.045 6 0 "[ . 1 . 2]" 1
1002 1 104 LEU HA 1 104 LEU QD . . 4.050 2.499 1.914 3.407 . 0 0 "[ . 1 . 2]" 1
1003 1 104 LEU QB 1 109 TYR QD . . 4.190 3.448 2.543 4.248 0.058 19 0 "[ . 1 . 2]" 1
1004 1 104 LEU QB 1 119 VAL QG . . 5.270 4.017 2.313 4.957 . 0 0 "[ . 1 . 2]" 1
1005 1 104 LEU HB2 1 109 TYR QE . . 3.620 2.790 1.996 3.642 0.022 11 0 "[ . 1 . 2]" 1
1006 1 104 LEU HB3 1 109 TYR QE . . 3.620 2.469 1.978 3.652 0.032 8 0 "[ . 1 . 2]" 1
1007 1 104 LEU QD 1 108 ALA H . . 5.440 3.887 2.080 5.124 . 0 0 "[ . 1 . 2]" 1
1008 1 104 LEU QD 1 108 ALA MB . . 3.790 2.646 1.681 3.679 . 0 0 "[ . 1 . 2]" 1
1009 1 104 LEU QD 1 109 TYR H . . 4.670 4.038 2.471 4.670 0.000 13 0 "[ . 1 . 2]" 1
1010 1 104 LEU QD 1 109 TYR QD . . 4.500 2.833 1.888 4.052 . 0 0 "[ . 1 . 2]" 1
1011 1 104 LEU QD 1 109 TYR QE . . 4.350 2.627 1.776 3.747 . 0 0 "[ . 1 . 2]" 1
1012 1 104 LEU QD 1 119 VAL QG . . 3.970 3.674 1.876 3.986 0.016 5 0 "[ . 1 . 2]" 1
1013 1 107 ALA HA 1 108 ALA HA . . 4.980 4.558 4.468 4.660 . 0 0 "[ . 1 . 2]" 1
1014 1 107 ALA HA 1 108 ALA MB . . 4.940 4.569 4.418 4.967 0.027 1 0 "[ . 1 . 2]" 1
1015 1 107 ALA MB 1 108 ALA H . . 3.880 3.565 2.632 3.713 . 0 0 "[ . 1 . 2]" 1
1016 1 107 ALA MB 1 108 ALA HA . . 4.380 4.166 3.845 4.315 . 0 0 "[ . 1 . 2]" 1
1017 1 108 ALA H 1 108 ALA MB . . 3.390 2.268 2.097 2.450 . 0 0 "[ . 1 . 2]" 1
1018 1 108 ALA H 1 109 TYR H . . 4.160 2.356 1.931 2.736 . 0 0 "[ . 1 . 2]" 1
1019 1 108 ALA H 1 109 TYR QB . . 5.330 4.507 3.754 5.116 . 0 0 "[ . 1 . 2]" 1
1020 1 108 ALA H 1 109 TYR QD . . 4.690 3.325 2.741 4.353 . 0 0 "[ . 1 . 2]" 1
1021 1 108 ALA HA 1 109 TYR H . . 3.560 3.360 3.013 3.549 . 0 0 "[ . 1 . 2]" 1
1022 1 108 ALA MB 1 109 TYR H . . 3.880 2.994 2.476 3.570 . 0 0 "[ . 1 . 2]" 1
1023 1 108 ALA MB 1 109 TYR QD . . 4.260 3.252 2.081 3.909 . 0 0 "[ . 1 . 2]" 1
1024 1 108 ALA MB 1 109 TYR QE . . 4.710 4.308 3.088 4.847 0.137 19 0 "[ . 1 . 2]" 1
1025 1 109 TYR H 1 109 TYR HB2 . . 3.730 2.840 2.245 3.787 0.057 11 0 "[ . 1 . 2]" 1
1026 1 109 TYR H 1 109 TYR HB3 . . 3.730 3.389 2.821 3.560 . 0 0 "[ . 1 . 2]" 1
1027 1 109 TYR H 1 109 TYR QD . . 3.640 2.243 1.954 2.932 . 0 0 "[ . 1 . 2]" 1
1028 1 109 TYR H 1 109 TYR QE . . 4.480 4.227 3.784 4.499 0.019 6 0 "[ . 1 . 2]" 1
1029 1 109 TYR HA 1 109 TYR QD . . 4.100 3.246 2.628 3.734 . 0 0 "[ . 1 . 2]" 1
1030 1 109 TYR QB 1 113 LEU H . . 5.100 4.652 4.394 5.144 0.044 12 0 "[ . 1 . 2]" 1
1031 1 109 TYR QB 1 113 LEU QD . . 4.320 2.959 1.847 3.889 . 0 0 "[ . 1 . 2]" 1
1032 1 109 TYR QD 1 113 LEU H . . 5.500 4.989 3.468 5.504 0.004 4 0 "[ . 1 . 2]" 1
1033 1 109 TYR QD 1 113 LEU MD1 . . 4.200 3.507 2.135 4.211 0.011 4 0 "[ . 1 . 2]" 1
1034 1 109 TYR QD 1 113 LEU QD . . 3.680 2.567 1.883 3.718 0.038 10 0 "[ . 1 . 2]" 1
1035 1 109 TYR QD 1 113 LEU MD2 . . 4.200 3.070 1.901 4.234 0.034 10 0 "[ . 1 . 2]" 1
1036 1 109 TYR QD 1 119 VAL HB . . 5.500 5.361 4.595 5.528 0.028 12 0 "[ . 1 . 2]" 1
1037 1 109 TYR QD 1 119 VAL MG1 . . 3.990 3.481 2.719 4.087 0.097 12 0 "[ . 1 . 2]" 1
1038 1 109 TYR QD 1 119 VAL QG . . 3.430 3.033 2.645 3.450 0.020 10 0 "[ . 1 . 2]" 1
1039 1 109 TYR QD 1 119 VAL MG2 . . 3.990 3.542 2.778 4.004 0.014 11 0 "[ . 1 . 2]" 1
1040 1 109 TYR QE 1 119 VAL MG1 . . 4.450 2.858 1.946 4.272 . 0 0 "[ . 1 . 2]" 1
1041 1 109 TYR QE 1 119 VAL MG2 . . 4.450 2.551 1.971 3.302 . 0 0 "[ . 1 . 2]" 1
1042 1 111 PRO HA 1 112 GLU HA . . 4.980 4.830 4.759 4.910 . 0 0 "[ . 1 . 2]" 1
1043 1 111 PRO HA 1 113 LEU H . . 4.590 4.064 3.651 4.548 . 0 0 "[ . 1 . 2]" 1
1044 1 111 PRO HB2 1 112 GLU H . . 4.320 3.426 3.087 3.570 . 0 0 "[ . 1 . 2]" 1
1045 1 111 PRO HB3 1 112 GLU H . . 4.320 4.195 3.998 4.278 . 0 0 "[ . 1 . 2]" 1
1046 1 111 PRO HD2 1 112 GLU H . . 4.420 2.668 2.646 2.695 . 0 0 "[ . 1 . 2]" 1
1047 1 111 PRO HD2 1 112 GLU QB . . 4.530 4.179 3.863 4.535 0.005 19 0 "[ . 1 . 2]" 1
1048 1 111 PRO QG 1 112 GLU H . . 3.860 2.470 2.079 2.654 . 0 0 "[ . 1 . 2]" 1
1049 1 112 GLU H 1 112 GLU QB . . 3.640 2.307 2.093 2.575 . 0 0 "[ . 1 . 2]" 1
1050 1 112 GLU H 1 112 GLU QG . . 4.920 2.970 1.940 4.028 . 0 0 "[ . 1 . 2]" 1
1051 1 112 GLU H 1 113 LEU H . . 4.230 2.680 2.519 2.919 . 0 0 "[ . 1 . 2]" 1
1052 1 112 GLU HA 1 112 GLU HG2 . . 3.910 3.251 2.650 3.654 . 0 0 "[ . 1 . 2]" 1
1053 1 112 GLU HA 1 112 GLU QG . . 3.410 2.528 2.121 3.338 . 0 0 "[ . 1 . 2]" 1
1054 1 112 GLU HA 1 112 GLU HG3 . . 3.910 2.841 2.161 3.913 0.003 2 0 "[ . 1 . 2]" 1
1055 1 112 GLU QB 1 113 LEU H . . 3.730 2.810 2.290 3.664 . 0 0 "[ . 1 . 2]" 1
1056 1 112 GLU QB 1 113 LEU HA . . 4.530 4.011 3.807 4.460 . 0 0 "[ . 1 . 2]" 1
1057 1 112 GLU QG 1 113 LEU H . . 5.120 4.107 2.023 4.722 . 0 0 "[ . 1 . 2]" 1
1058 1 113 LEU H 1 113 LEU HB2 . . 3.560 2.386 2.147 3.575 0.015 12 0 "[ . 1 . 2]" 1
1059 1 113 LEU H 1 113 LEU QB . . 3.050 2.242 2.101 2.357 . 0 0 "[ . 1 . 2]" 1
1060 1 113 LEU H 1 113 LEU HB3 . . 3.560 3.168 2.348 3.566 0.006 13 0 "[ . 1 . 2]" 1
1061 1 113 LEU H 1 113 LEU MD1 . . 4.410 3.454 2.273 4.239 . 0 0 "[ . 1 . 2]" 1
1062 1 113 LEU H 1 113 LEU QD . . 3.840 3.170 2.265 3.771 . 0 0 "[ . 1 . 2]" 1
1063 1 113 LEU H 1 113 LEU MD2 . . 4.410 4.128 3.077 4.440 0.030 19 0 "[ . 1 . 2]" 1
1064 1 113 LEU HA 1 113 LEU MD1 . . 3.980 2.972 1.959 3.857 . 0 0 "[ . 1 . 2]" 1
1065 1 113 LEU HA 1 113 LEU QD . . 3.190 2.426 1.953 3.291 0.101 12 0 "[ . 1 . 2]" 1
1066 1 113 LEU HA 1 113 LEU MD2 . . 3.980 3.222 1.982 4.068 0.088 12 0 "[ . 1 . 2]" 1
1067 1 113 LEU QB 1 113 LEU QD . . 2.790 1.881 1.756 1.971 . 0 0 "[ . 1 . 2]" 1
1068 1 113 LEU QB 1 119 VAL QG . . 5.280 3.632 1.966 4.956 . 0 0 "[ . 1 . 2]" 1
1069 1 113 LEU QD 1 119 VAL HB . . 4.950 4.626 3.305 4.985 0.035 19 0 "[ . 1 . 2]" 1
1070 1 113 LEU QD 1 119 VAL QG . . 3.410 2.536 1.787 3.159 . 0 0 "[ . 1 . 2]" 1
1071 1 119 VAL QG 1 120 ASP QB . . 4.730 4.274 2.914 4.736 0.006 8 0 "[ . 1 . 2]" 1
1072 1 120 ASP QB 1 121 GLY H . . 4.480 2.947 2.479 3.669 . 0 0 "[ . 1 . 2]" 1
1073 1 120 ASP HB2 1 121 GLY H . . 5.150 3.910 2.518 4.496 . 0 0 "[ . 1 . 2]" 1
1074 1 120 ASP HB3 1 121 GLY H . . 5.150 3.142 2.534 4.421 . 0 0 "[ . 1 . 2]" 1
1075 1 121 GLY H 1 122 ARG H . . 5.070 2.225 2.054 3.282 . 0 0 "[ . 1 . 2]" 1
1076 1 125 ASP QB 1 126 GLY H . . 4.010 3.303 2.913 3.976 . 0 0 "[ . 1 . 2]" 1
1077 1 125 ASP HB2 1 126 GLY H . . 4.560 3.764 3.025 4.476 . 0 0 "[ . 1 . 2]" 1
1078 1 125 ASP HB3 1 126 GLY H . . 4.560 3.864 3.000 4.502 . 0 0 "[ . 1 . 2]" 1
1079 1 126 GLY H 1 127 GLY H . . 3.880 2.484 2.197 2.890 . 0 0 "[ . 1 . 2]" 1
1080 1 126 GLY H 1 127 GLY QA . . 4.780 4.259 4.103 4.627 . 0 0 "[ . 1 . 2]" 1
1081 1 126 GLY QA 1 128 PHE H . . 3.470 3.414 3.010 3.533 0.063 12 0 "[ . 1 . 2]" 1
1082 1 129 ARG HA 1 129 ARG HD2 . . 4.440 3.022 2.186 4.361 . 0 0 "[ . 1 . 2]" 1
1083 1 129 ARG HA 1 129 ARG HD3 . . 4.440 2.839 2.007 4.401 . 0 0 "[ . 1 . 2]" 1
1084 1 129 ARG HA 1 129 ARG HG2 . . 3.860 3.449 2.385 3.820 . 0 0 "[ . 1 . 2]" 1
1085 1 129 ARG HA 1 129 ARG HG3 . . 3.860 3.183 2.944 3.575 . 0 0 "[ . 1 . 2]" 1
1086 1 129 ARG HA 1 131 VAL H . . 4.590 3.612 3.562 3.655 . 0 0 "[ . 1 . 2]" 1
1087 1 129 ARG HA 1 131 VAL QG . . 4.480 3.160 2.816 4.492 0.012 11 0 "[ . 1 . 2]" 1
1088 1 129 ARG HA 1 132 LYS H . . 4.410 3.650 3.592 3.733 . 0 0 "[ . 1 . 2]" 1
1089 1 129 ARG HA 1 133 GLU H . . 5.500 5.463 5.054 5.640 0.140 18 0 "[ . 1 . 2]" 1
1090 1 129 ARG HB3 1 130 GLN H . . 3.460 2.898 2.847 2.946 . 0 0 "[ . 1 . 2]" 1
1091 1 129 ARG QD 1 131 VAL H . . 5.340 4.902 4.556 5.301 . 0 0 "[ . 1 . 2]" 1
1092 1 129 ARG QD 1 132 LYS H . . 4.530 3.961 3.367 4.532 0.002 14 0 "[ . 1 . 2]" 1
1093 1 129 ARG QD 1 133 GLU H . . 5.320 4.663 3.754 5.392 0.072 18 0 "[ . 1 . 2]" 1
1094 1 129 ARG HD2 1 130 GLN H . . 5.500 4.877 3.168 5.498 . 0 0 "[ . 1 . 2]" 1
1095 1 129 ARG HD3 1 130 GLN H . . 5.500 5.108 3.756 5.525 0.025 18 0 "[ . 1 . 2]" 1
1096 1 129 ARG QG 1 132 LYS H . . 4.350 4.145 3.914 4.358 0.008 9 0 "[ . 1 . 2]" 1
1097 1 129 ARG QG 1 132 LYS QE . . 4.040 2.901 2.015 4.049 0.009 5 0 "[ . 1 . 2]" 1
1098 1 129 ARG QG 1 133 GLU QG . . 4.300 3.647 2.891 4.279 . 0 0 "[ . 1 . 2]" 1
1099 1 130 GLN H 1 130 GLN QB . . 3.690 2.195 2.109 2.248 . 0 0 "[ . 1 . 2]" 1
1100 1 130 GLN HA 1 130 GLN HG2 . . 3.950 3.191 2.246 3.742 . 0 0 "[ . 1 . 2]" 1
1101 1 130 GLN HA 1 130 GLN HG3 . . 3.950 2.666 2.272 3.460 . 0 0 "[ . 1 . 2]" 1
1102 1 130 GLN HA 1 131 VAL QG . . 5.440 4.554 4.273 4.967 . 0 0 "[ . 1 . 2]" 1
1103 1 130 GLN HA 1 132 LYS H . . 4.110 3.924 3.836 4.282 0.172 14 0 "[ . 1 . 2]" 1
1104 1 130 GLN HA 1 133 GLU H . . 4.330 3.198 3.130 3.318 . 0 0 "[ . 1 . 2]" 1
1105 1 130 GLN QB 1 130 GLN QG . . 2.340 2.037 2.016 2.086 . 0 0 "[ . 1 . 2]" 1
1106 1 130 GLN QB 1 131 VAL H . . 3.450 2.933 2.886 2.996 . 0 0 "[ . 1 . 2]" 1
1107 1 130 GLN QB 1 131 VAL QG . . 5.280 3.924 3.278 4.397 . 0 0 "[ . 1 . 2]" 1
1108 1 130 GLN QG 1 133 GLU H . . 4.290 4.209 4.016 4.316 0.026 5 0 "[ . 1 . 2]" 1
1109 1 131 VAL H 1 131 VAL HB . . 3.720 2.810 2.296 3.610 . 0 0 "[ . 1 . 2]" 1
1110 1 131 VAL H 1 131 VAL MG1 . . 3.830 2.408 1.894 3.707 . 0 0 "[ . 1 . 2]" 1
1111 1 131 VAL H 1 131 VAL QG . . 3.000 2.173 1.804 2.480 . 0 0 "[ . 1 . 2]" 1
1112 1 131 VAL H 1 131 VAL MG2 . . 3.830 3.036 2.229 3.744 . 0 0 "[ . 1 . 2]" 1
1113 1 131 VAL HA 1 134 ALA H . . 3.730 3.500 3.375 3.701 . 0 0 "[ . 1 . 2]" 1
1114 1 131 VAL HA 1 134 ALA MB . . 3.940 2.619 2.394 2.910 . 0 0 "[ . 1 . 2]" 1
1115 1 131 VAL HB 1 132 LYS H . . 4.080 3.708 2.602 3.930 . 0 0 "[ . 1 . 2]" 1
1116 1 131 VAL QG 1 132 LYS H . . 3.110 2.098 1.912 2.815 . 0 0 "[ . 1 . 2]" 1
1117 1 131 VAL QG 1 132 LYS HA . . 3.860 3.099 2.954 3.251 . 0 0 "[ . 1 . 2]" 1
1118 1 131 VAL QG 1 132 LYS QE . . 5.010 4.888 4.678 5.189 0.179 11 0 "[ . 1 . 2]" 1
1119 1 131 VAL QG 1 133 GLU H . . 4.180 4.129 3.983 4.384 0.204 14 0 "[ . 1 . 2]" 1
1120 1 131 VAL MG1 1 132 LYS H . . 3.880 2.767 1.944 3.872 . 0 0 "[ . 1 . 2]" 1
1121 1 131 VAL MG2 1 132 LYS H . . 3.880 3.225 1.917 4.026 0.146 11 0 "[ . 1 . 2]" 1
1122 1 132 LYS H 1 132 LYS QD . . 4.440 4.260 3.397 4.533 0.093 14 0 "[ . 1 . 2]" 1
1123 1 132 LYS H 1 132 LYS QE . . 4.090 4.079 3.669 4.207 0.117 18 0 "[ . 1 . 2]" 1
1124 1 132 LYS H 1 133 GLU H . . 3.670 2.584 2.532 2.705 . 0 0 "[ . 1 . 2]" 1
1125 1 132 LYS H 1 133 GLU QB . . 4.850 4.722 4.640 4.804 . 0 0 "[ . 1 . 2]" 1
1126 1 132 LYS H 1 133 GLU QG . . 4.000 3.929 3.760 4.014 0.014 12 0 "[ . 1 . 2]" 1
1127 1 132 LYS HA 1 132 LYS HG2 . . 4.160 2.663 2.554 3.617 . 0 0 "[ . 1 . 2]" 1
1128 1 132 LYS HA 1 133 GLU QG . . 5.300 5.020 4.936 5.180 . 0 0 "[ . 1 . 2]" 1
1129 1 132 LYS HA 1 135 VAL H . . 3.760 3.691 3.366 3.796 0.036 4 0 "[ . 1 . 2]" 1
1130 1 132 LYS HA 1 135 VAL HB . . 4.590 4.396 3.648 4.611 0.021 19 0 "[ . 1 . 2]" 1
1131 1 132 LYS HA 1 135 VAL MG1 . . 4.240 2.472 1.860 3.181 . 0 0 "[ . 1 . 2]" 1
1132 1 132 LYS HA 1 136 MET H . . 4.920 4.743 4.041 4.971 0.051 8 0 "[ . 1 . 2]" 1
1133 1 132 LYS QB 1 132 LYS QE . . 4.060 2.107 1.930 3.489 . 0 0 "[ . 1 . 2]" 1
1134 1 132 LYS QD 1 133 GLU H . . 3.840 3.295 2.727 4.051 0.211 16 0 "[ . 1 . 2]" 1
1135 1 132 LYS QE 1 132 LYS HG2 . . 3.570 3.162 2.124 3.522 . 0 0 "[ . 1 . 2]" 1
1136 1 132 LYS QE 1 132 LYS HG3 . . 3.670 2.688 2.257 3.281 . 0 0 "[ . 1 . 2]" 1
1137 1 132 LYS QE 1 133 GLU H . . 4.610 3.704 2.285 4.497 . 0 0 "[ . 1 . 2]" 1
1138 1 132 LYS QE 1 133 GLU QG . . 3.800 2.960 1.810 3.808 0.008 9 0 "[ . 1 . 2]" 1
1139 1 132 LYS HG2 1 135 VAL H . . 5.170 5.001 4.560 5.315 0.145 18 0 "[ . 1 . 2]" 1
1140 1 132 LYS HG2 1 136 MET HG2 . . 5.130 3.604 2.675 4.960 . 0 0 "[ . 1 . 2]" 1
1141 1 132 LYS HG2 1 136 MET QG . . 4.340 3.035 2.351 4.063 . 0 0 "[ . 1 . 2]" 1
1142 1 132 LYS HG2 1 136 MET HG3 . . 5.130 3.375 2.607 5.264 0.134 16 0 "[ . 1 . 2]" 1
1143 1 133 GLU H 1 133 GLU HB2 . . 3.630 2.611 2.519 2.704 . 0 0 "[ . 1 . 2]" 1
1144 1 133 GLU H 1 133 GLU QB . . 2.990 2.552 2.472 2.629 . 0 0 "[ . 1 . 2]" 1
1145 1 133 GLU H 1 133 GLU HB3 . . 3.630 3.596 3.582 3.608 . 0 0 "[ . 1 . 2]" 1
1146 1 133 GLU H 1 133 GLU HG2 . . 3.510 2.805 1.938 3.442 . 0 0 "[ . 1 . 2]" 1
1147 1 133 GLU H 1 133 GLU QG . . 2.970 2.063 1.928 2.200 . 0 0 "[ . 1 . 2]" 1
1148 1 133 GLU H 1 133 GLU HG3 . . 3.510 2.428 1.947 3.509 . 0 0 "[ . 1 . 2]" 1
1149 1 133 GLU H 1 134 ALA H . . 3.500 2.562 2.462 2.764 . 0 0 "[ . 1 . 2]" 1
1150 1 133 GLU H 1 134 ALA MB . . 4.320 4.165 4.065 4.333 0.013 8 0 "[ . 1 . 2]" 1
1151 1 133 GLU H 1 136 MET H . . 5.010 4.816 4.617 5.018 0.008 8 0 "[ . 1 . 2]" 1
1152 1 133 GLU H 1 136 MET QG . . 5.300 4.125 3.873 4.704 . 0 0 "[ . 1 . 2]" 1
1153 1 133 GLU HA 1 133 GLU QG . . 3.440 2.591 2.471 2.977 . 0 0 "[ . 1 . 2]" 1
1154 1 133 GLU HA 1 135 VAL H . . 4.520 4.359 4.050 4.527 0.007 20 0 "[ . 1 . 2]" 1
1155 1 133 GLU HA 1 136 MET H . . 3.740 3.223 2.975 3.398 . 0 0 "[ . 1 . 2]" 1
1156 1 133 GLU HA 1 136 MET QG . . 3.770 2.082 1.876 2.845 . 0 0 "[ . 1 . 2]" 1
1157 1 133 GLU HA 1 137 ARG H . . 4.930 4.473 3.605 4.926 . 0 0 "[ . 1 . 2]" 1
1158 1 133 GLU QB 1 134 ALA H . . 3.760 2.806 2.779 2.854 . 0 0 "[ . 1 . 2]" 1
1159 1 133 GLU HB2 1 134 ALA H . . 4.400 2.870 2.844 2.920 . 0 0 "[ . 1 . 2]" 1
1160 1 133 GLU HB3 1 134 ALA H . . 4.400 3.962 3.889 4.019 . 0 0 "[ . 1 . 2]" 1
1161 1 133 GLU QG 1 134 ALA H . . 4.260 3.958 3.835 4.077 . 0 0 "[ . 1 . 2]" 1
1162 1 134 ALA H 1 134 ALA MB . . 2.890 2.101 2.023 2.232 . 0 0 "[ . 1 . 2]" 1
1163 1 134 ALA H 1 135 VAL H . . 3.210 2.749 2.424 2.918 . 0 0 "[ . 1 . 2]" 1
1164 1 134 ALA H 1 137 ARG QD . . 5.340 5.018 4.283 5.551 0.211 16 0 "[ . 1 . 2]" 1
1165 1 134 ALA H 1 137 ARG QG . . 4.500 4.383 4.039 4.543 0.043 7 0 "[ . 1 . 2]" 1
1166 1 134 ALA HA 1 137 ARG H . . 4.140 3.770 3.501 3.993 . 0 0 "[ . 1 . 2]" 1
1167 1 134 ALA HA 1 137 ARG QB . . 4.210 3.978 3.723 4.264 0.054 18 0 "[ . 1 . 2]" 1
1168 1 134 ALA HA 1 137 ARG QD . . 4.450 3.188 1.943 4.114 . 0 0 "[ . 1 . 2]" 1
1169 1 134 ALA HA 1 137 ARG HG2 . . 4.170 2.846 1.978 4.173 0.003 4 0 "[ . 1 . 2]" 1
1170 1 134 ALA HA 1 137 ARG QG . . 3.560 2.433 1.917 2.750 . 0 0 "[ . 1 . 2]" 1
1171 1 134 ALA HA 1 137 ARG HG3 . . 4.170 3.021 2.481 3.879 . 0 0 "[ . 1 . 2]" 1
1172 1 134 ALA MB 1 135 VAL H . . 3.320 2.582 2.341 2.916 . 0 0 "[ . 1 . 2]" 1
1173 1 134 ALA MB 1 135 VAL HB . . 4.800 3.930 3.716 4.118 . 0 0 "[ . 1 . 2]" 1
1174 1 134 ALA MB 1 137 ARG QG . . 4.720 3.816 3.360 4.174 . 0 0 "[ . 1 . 2]" 1
1175 1 135 VAL H 1 135 VAL HB . . 3.210 2.603 2.275 2.813 . 0 0 "[ . 1 . 2]" 1
1176 1 135 VAL H 1 135 VAL MG1 . . 2.850 2.144 1.904 2.642 . 0 0 "[ . 1 . 2]" 1
1177 1 135 VAL H 1 136 MET QB . . 4.690 4.493 4.134 4.715 0.025 8 0 "[ . 1 . 2]" 1
1178 1 135 VAL H 1 136 MET QG . . 4.210 4.086 3.840 4.236 0.026 10 0 "[ . 1 . 2]" 1
1179 1 135 VAL H 1 137 ARG QG . . 4.660 4.418 3.695 4.684 0.024 8 0 "[ . 1 . 2]" 1
1180 1 135 VAL HA 1 135 VAL MG1 . . 3.260 3.195 3.154 3.203 . 0 0 "[ . 1 . 2]" 1
1181 1 135 VAL HA 1 138 TYR H . . 4.020 3.730 3.371 4.003 . 0 0 "[ . 1 . 2]" 1
1182 1 135 VAL MG1 1 136 MET H . . 3.210 2.362 2.212 2.488 . 0 0 "[ . 1 . 2]" 1
1183 1 135 VAL MG1 1 136 MET HA . . 4.270 3.232 3.086 3.347 . 0 0 "[ . 1 . 2]" 1
1184 1 135 VAL MG1 1 136 MET QG . . 4.310 2.545 2.123 4.099 . 0 0 "[ . 1 . 2]" 1
1185 1 135 VAL MG1 1 137 ARG H . . 4.520 4.353 4.267 4.561 0.041 10 0 "[ . 1 . 2]" 1
1186 1 135 VAL MG1 1 138 TYR H . . 5.020 4.945 4.667 5.084 0.064 16 0 "[ . 1 . 2]" 1
1187 1 136 MET H 1 136 MET HB2 . . 3.680 2.530 2.298 3.617 . 0 0 "[ . 1 . 2]" 1
1188 1 136 MET H 1 136 MET QB . . 3.010 2.377 2.272 2.468 . 0 0 "[ . 1 . 2]" 1
1189 1 136 MET H 1 136 MET HB3 . . 3.680 3.471 2.334 3.607 . 0 0 "[ . 1 . 2]" 1
1190 1 136 MET H 1 136 MET HG2 . . 4.300 2.796 2.298 3.561 . 0 0 "[ . 1 . 2]" 1
1191 1 136 MET H 1 136 MET QG . . 3.740 2.513 2.253 2.743 . 0 0 "[ . 1 . 2]" 1
1192 1 136 MET H 1 136 MET HG3 . . 4.300 3.029 2.363 3.816 . 0 0 "[ . 1 . 2]" 1
1193 1 136 MET H 1 137 ARG H . . 3.360 2.485 2.399 2.562 . 0 0 "[ . 1 . 2]" 1
1194 1 136 MET H 1 137 ARG HD2 . . 5.500 5.049 4.257 5.581 0.081 15 0 "[ . 1 . 2]" 1
1195 1 136 MET H 1 137 ARG HD3 . . 5.500 5.356 4.244 5.571 0.071 15 0 "[ . 1 . 2]" 1
1196 1 136 MET H 1 138 TYR H . . 4.650 4.100 3.718 4.309 . 0 0 "[ . 1 . 2]" 1
1197 1 136 MET H 1 138 TYR QB . . 5.340 5.010 4.427 5.320 . 0 0 "[ . 1 . 2]" 1
1198 1 136 MET HA 1 136 MET ME . . 3.940 2.949 2.186 3.959 0.019 15 0 "[ . 1 . 2]" 1
1199 1 136 MET HA 1 139 LEU H . . 3.740 3.364 3.121 3.689 . 0 0 "[ . 1 . 2]" 1
1200 1 136 MET HA 1 139 LEU QB . . 4.630 3.436 2.954 4.221 . 0 0 "[ . 1 . 2]" 1
1201 1 136 MET HA 1 139 LEU MD1 . . 5.000 2.917 1.920 5.094 0.094 4 0 "[ . 1 . 2]" 1
1202 1 136 MET HA 1 139 LEU QD . . 4.110 2.198 1.900 2.641 . 0 0 "[ . 1 . 2]" 1
1203 1 136 MET HA 1 139 LEU MD2 . . 5.000 3.501 1.902 4.345 . 0 0 "[ . 1 . 2]" 1
1204 1 136 MET QB 1 136 MET ME . . 3.190 2.307 1.935 3.195 0.005 13 0 "[ . 1 . 2]" 1
1205 1 136 MET ME 1 139 LEU QB . . 4.290 3.697 2.278 4.337 0.047 16 0 "[ . 1 . 2]" 1
1206 1 136 MET ME 1 139 LEU QD . . 3.750 2.618 1.749 3.744 . 0 0 "[ . 1 . 2]" 1
1207 1 136 MET QG 1 137 ARG H . . 4.270 3.985 1.938 4.334 0.064 18 0 "[ . 1 . 2]" 1
1208 1 136 MET QG 1 138 TYR H . . 5.340 5.280 4.276 5.438 0.098 1 0 "[ . 1 . 2]" 1
1209 1 136 MET HG2 1 137 ARG H . . 4.920 4.481 2.230 4.838 . 0 0 "[ . 1 . 2]" 1
1210 1 136 MET HG3 1 137 ARG H . . 4.920 4.567 1.944 4.954 0.034 18 0 "[ . 1 . 2]" 1
1211 1 137 ARG H 1 137 ARG QB . . 2.970 2.590 2.526 2.648 . 0 0 "[ . 1 . 2]" 1
1212 1 137 ARG H 1 137 ARG HD2 . . 4.510 3.497 2.730 4.354 . 0 0 "[ . 1 . 2]" 1
1213 1 137 ARG H 1 137 ARG QD . . 3.860 3.155 2.679 3.667 . 0 0 "[ . 1 . 2]" 1
1214 1 137 ARG H 1 137 ARG HD3 . . 4.510 3.851 2.928 4.145 . 0 0 "[ . 1 . 2]" 1
1215 1 137 ARG H 1 137 ARG HG2 . . 4.690 2.484 1.942 3.408 . 0 0 "[ . 1 . 2]" 1
1216 1 137 ARG H 1 137 ARG QG . . 3.940 1.954 1.813 2.035 . 0 0 "[ . 1 . 2]" 1
1217 1 137 ARG H 1 137 ARG HG3 . . 4.690 2.890 1.825 3.576 . 0 0 "[ . 1 . 2]" 1
1218 1 137 ARG H 1 138 TYR H . . 3.510 2.615 2.422 2.746 . 0 0 "[ . 1 . 2]" 1
1219 1 137 ARG H 1 138 TYR QB . . 4.540 4.282 4.077 4.427 . 0 0 "[ . 1 . 2]" 1
1220 1 137 ARG H 1 138 TYR QD . . 5.500 5.561 5.531 5.696 0.196 4 0 "[ . 1 . 2]" 1
1221 1 137 ARG H 1 139 LEU H . . 4.560 4.353 4.155 4.625 0.065 4 0 "[ . 1 . 2]" 1
1222 1 137 ARG H 1 140 GLN H . . 5.500 5.321 4.937 5.466 . 0 0 "[ . 1 . 2]" 1
1223 1 137 ARG H 1 140 GLN QE . . 5.340 5.085 4.496 5.345 0.005 13 0 "[ . 1 . 2]" 1
1224 1 137 ARG H 1 140 GLN QG . . 4.990 4.693 4.055 4.985 . 0 0 "[ . 1 . 2]" 1
1225 1 137 ARG HA 1 137 ARG QD . . 4.220 3.091 2.057 4.360 0.140 11 0 "[ . 1 . 2]" 1
1226 1 137 ARG HA 1 137 ARG HG2 . . 4.020 3.307 2.675 4.163 0.143 10 0 "[ . 1 . 2]" 1
1227 1 137 ARG HA 1 137 ARG QG . . 3.480 3.021 2.509 3.375 . 0 0 "[ . 1 . 2]" 1
1228 1 137 ARG HA 1 137 ARG HG3 . . 4.020 3.580 2.933 3.862 . 0 0 "[ . 1 . 2]" 1
1229 1 137 ARG HA 1 138 TYR QB . . 5.340 5.154 5.123 5.180 . 0 0 "[ . 1 . 2]" 1
1230 1 137 ARG HA 1 140 GLN H . . 4.440 3.660 3.319 3.766 . 0 0 "[ . 1 . 2]" 1
1231 1 137 ARG QB 1 137 ARG QD . . 3.180 2.573 2.077 2.901 . 0 0 "[ . 1 . 2]" 1
1232 1 137 ARG QB 1 138 TYR H . . 3.430 3.103 2.865 3.551 0.121 15 0 "[ . 1 . 2]" 1
1233 1 137 ARG QB 1 138 TYR HA . . 4.860 4.014 3.936 4.298 . 0 0 "[ . 1 . 2]" 1
1234 1 137 ARG QG 1 138 TYR H . . 4.840 3.717 2.431 4.127 . 0 0 "[ . 1 . 2]" 1
1235 1 138 TYR H 1 138 TYR HB2 . . 3.340 3.081 2.204 3.221 . 0 0 "[ . 1 . 2]" 1
1236 1 138 TYR H 1 138 TYR HB3 . . 3.340 2.189 2.088 2.977 . 0 0 "[ . 1 . 2]" 1
1237 1 138 TYR H 1 138 TYR QD . . 3.810 3.597 3.483 3.954 0.144 8 0 "[ . 1 . 2]" 1
1238 1 138 TYR H 1 139 LEU H . . 3.510 2.536 2.472 2.659 . 0 0 "[ . 1 . 2]" 1
1239 1 138 TYR H 1 139 LEU HA . . 5.320 5.150 5.084 5.248 . 0 0 "[ . 1 . 2]" 1
1240 1 138 TYR H 1 139 LEU QD . . 4.370 3.802 3.350 4.371 0.001 2 0 "[ . 1 . 2]" 1
1241 1 138 TYR H 1 140 GLN H . . 4.370 3.928 3.668 4.051 . 0 0 "[ . 1 . 2]" 1
1242 1 138 TYR H 1 140 GLN QG . . 4.700 4.509 4.022 4.701 0.001 16 0 "[ . 1 . 2]" 1
1243 1 138 TYR HA 1 138 TYR QD . . 3.740 3.219 2.977 3.307 . 0 0 "[ . 1 . 2]" 1
1244 1 138 TYR HA 1 139 LEU H . . 3.570 3.519 3.498 3.566 . 0 0 "[ . 1 . 2]" 1
1245 1 138 TYR HA 1 139 LEU QD . . 5.170 4.923 4.307 5.217 0.047 13 0 "[ . 1 . 2]" 1
1246 1 138 TYR QB 1 139 LEU H . . 3.530 2.938 2.304 3.080 . 0 0 "[ . 1 . 2]" 1
1247 1 138 TYR QB 1 140 GLN H . . 4.790 4.597 4.249 4.667 . 0 0 "[ . 1 . 2]" 1
1248 1 138 TYR HB2 1 139 LEU H . . 4.370 4.099 3.295 4.237 . 0 0 "[ . 1 . 2]" 1
1249 1 138 TYR HB2 1 140 GLN H . . 5.460 5.408 5.107 5.535 0.075 13 0 "[ . 1 . 2]" 1
1250 1 138 TYR HB3 1 139 LEU H . . 4.370 3.010 2.348 3.163 . 0 0 "[ . 1 . 2]" 1
1251 1 138 TYR HB3 1 140 GLN H . . 5.460 4.977 4.538 5.084 . 0 0 "[ . 1 . 2]" 1
1252 1 138 TYR QD 1 139 LEU H . . 3.700 2.789 2.434 4.046 0.346 4 0 "[ . 1 . 2]" 1
1253 1 138 TYR QD 1 139 LEU HA . . 4.810 3.490 3.317 3.947 . 0 0 "[ . 1 . 2]" 1
1254 1 138 TYR QD 1 139 LEU MD1 . . 4.870 3.129 1.914 4.976 0.106 13 0 "[ . 1 . 2]" 1
1255 1 138 TYR QD 1 139 LEU QD . . 4.190 2.337 1.877 3.765 . 0 0 "[ . 1 . 2]" 1
1256 1 138 TYR QD 1 139 LEU MD2 . . 4.870 3.443 1.885 4.539 . 0 0 "[ . 1 . 2]" 1
1257 1 139 LEU H 1 139 LEU QB . . 3.400 2.330 2.097 2.607 . 0 0 "[ . 1 . 2]" 1
1258 1 139 LEU H 1 139 LEU MD1 . . 4.290 2.914 2.040 4.085 . 0 0 "[ . 1 . 2]" 1
1259 1 139 LEU H 1 139 LEU QD . . 3.260 2.357 1.890 2.975 . 0 0 "[ . 1 . 2]" 1
1260 1 139 LEU H 1 139 LEU MD2 . . 4.290 3.344 1.903 4.284 . 0 0 "[ . 1 . 2]" 1
1261 1 139 LEU H 1 140 GLN H . . 3.490 2.648 2.488 2.724 . 0 0 "[ . 1 . 2]" 1
1262 1 139 LEU H 1 140 GLN HA . . 5.320 5.153 5.006 5.241 . 0 0 "[ . 1 . 2]" 1
1263 1 139 LEU H 1 140 GLN HB2 . . 5.150 4.840 4.614 4.993 . 0 0 "[ . 1 . 2]" 1
1264 1 139 LEU H 1 140 GLN QG . . 4.230 4.166 3.970 4.241 0.011 5 0 "[ . 1 . 2]" 1
1265 1 139 LEU H 1 141 THR H . . 4.670 4.395 4.285 4.419 . 0 0 "[ . 1 . 2]" 1
1266 1 139 LEU H 1 142 LEU H . . 5.500 5.548 5.428 5.587 0.087 8 0 "[ . 1 . 2]" 1
1267 1 139 LEU H 1 142 LEU QD . . 4.550 4.159 3.955 4.234 . 0 0 "[ . 1 . 2]" 1
1268 1 139 LEU HA 1 139 LEU MD1 . . 4.010 3.202 1.914 3.931 . 0 0 "[ . 1 . 2]" 1
1269 1 139 LEU HA 1 139 LEU QD . . 3.350 2.566 1.902 3.413 0.063 13 0 "[ . 1 . 2]" 1
1270 1 139 LEU HA 1 139 LEU MD2 . . 4.010 3.040 1.974 4.044 0.034 7 0 "[ . 1 . 2]" 1
1271 1 139 LEU HA 1 141 THR H . . 4.160 3.483 3.417 3.509 . 0 0 "[ . 1 . 2]" 1
1272 1 139 LEU HA 1 141 THR MG . . 4.120 2.963 2.871 3.223 . 0 0 "[ . 1 . 2]" 1
1273 1 139 LEU HA 1 142 LEU H . . 3.610 3.457 3.378 3.486 . 0 0 "[ . 1 . 2]" 1
1274 1 139 LEU HA 1 142 LEU MD1 . . 4.470 3.852 2.062 4.463 . 0 0 "[ . 1 . 2]" 1
1275 1 139 LEU HA 1 142 LEU QD . . 3.620 1.996 1.976 2.047 . 0 0 "[ . 1 . 2]" 1
1276 1 139 LEU HA 1 142 LEU MD2 . . 4.470 2.150 1.979 2.619 . 0 0 "[ . 1 . 2]" 1
1277 1 139 LEU QB 1 140 GLN H . . 3.550 3.112 2.972 3.683 0.133 13 0 "[ . 1 . 2]" 1
1278 1 139 LEU QD 1 140 GLN H . . 4.500 3.955 2.340 4.252 . 0 0 "[ . 1 . 2]" 1
1279 1 139 LEU QD 1 142 LEU QD . . 4.480 2.649 1.850 3.531 . 0 0 "[ . 1 . 2]" 1
1280 1 140 GLN H 1 140 GLN HB2 . . 2.720 2.415 2.350 2.509 . 0 0 "[ . 1 . 2]" 1
1281 1 140 GLN H 1 140 GLN QG . . 3.120 2.339 2.175 2.435 . 0 0 "[ . 1 . 2]" 1
1282 1 140 GLN H 1 141 THR H . . 3.270 2.699 2.662 2.715 . 0 0 "[ . 1 . 2]" 1
1283 1 140 GLN H 1 141 THR MG . . 3.970 4.009 3.971 4.106 0.136 7 0 "[ . 1 . 2]" 1
1284 1 140 GLN H 1 142 LEU H . . 4.290 4.203 4.118 4.250 . 0 0 "[ . 1 . 2]" 1
1285 1 140 GLN H 1 142 LEU QD . . 4.750 4.211 4.128 4.416 . 0 0 "[ . 1 . 2]" 1
1286 1 140 GLN HA 1 140 GLN QG . . 3.250 2.635 2.269 2.993 . 0 0 "[ . 1 . 2]" 1
1287 1 140 GLN HA 1 141 THR H . . 3.530 3.441 3.414 3.452 . 0 0 "[ . 1 . 2]" 1
1288 1 140 GLN HA 1 141 THR MG . . 5.020 4.839 4.777 5.009 . 0 0 "[ . 1 . 2]" 1
1289 1 140 GLN HA 1 142 LEU H . . 4.630 3.707 3.651 3.747 . 0 0 "[ . 1 . 2]" 1
1290 1 140 GLN HB2 1 141 THR H . . 3.520 3.078 3.034 3.184 . 0 0 "[ . 1 . 2]" 1
1291 1 140 GLN HB2 1 141 THR HA . . 5.010 4.502 4.377 4.645 . 0 0 "[ . 1 . 2]" 1
1292 1 140 GLN HB2 1 141 THR HB . . 5.450 4.612 4.383 4.698 . 0 0 "[ . 1 . 2]" 1
1293 1 140 GLN HB2 1 141 THR MG . . 4.730 4.687 4.664 4.713 . 0 0 "[ . 1 . 2]" 1
1294 1 140 GLN HB2 1 142 LEU H . . 5.190 5.054 5.007 5.073 . 0 0 "[ . 1 . 2]" 1
1295 1 140 GLN HB3 1 141 THR H . . 4.250 3.887 3.818 4.016 . 0 0 "[ . 1 . 2]" 1
1296 1 140 GLN HB3 1 142 LEU H . . 5.500 5.205 5.170 5.267 . 0 0 "[ . 1 . 2]" 1
1297 1 140 GLN HB3 1 143 SER H . . 5.500 5.561 5.555 5.570 0.070 13 0 "[ . 1 . 2]" 1
1298 1 141 THR H 1 141 THR HB . . 3.540 2.619 2.592 2.684 . 0 0 "[ . 1 . 2]" 1
1299 1 141 THR H 1 141 THR MG . . 2.930 2.051 2.023 2.118 . 0 0 "[ . 1 . 2]" 1
1300 1 141 THR H 1 142 LEU H . . 3.070 2.507 2.380 2.550 . 0 0 "[ . 1 . 2]" 1
1301 1 141 THR H 1 142 LEU MD1 . . 4.350 4.399 4.325 4.576 0.226 15 0 "[ . 1 . 2]" 1
1302 1 141 THR H 1 142 LEU MD2 . . 4.350 3.219 3.086 3.596 . 0 0 "[ . 1 . 2]" 1
1303 1 141 THR H 1 143 SER H . . 4.830 4.625 4.393 4.706 . 0 0 "[ . 1 . 2]" 1
1304 1 141 THR HA 1 141 THR MG . . 3.350 3.197 3.193 3.198 . 0 0 "[ . 1 . 2]" 1
1305 1 141 THR HB 1 142 LEU H . . 4.800 4.181 4.136 4.279 . 0 0 "[ . 1 . 2]" 1
1306 1 141 THR MG 1 142 LEU H . . 2.680 2.409 2.299 2.648 . 0 0 "[ . 1 . 2]" 1
1307 1 141 THR MG 1 142 LEU MD1 . . 3.660 2.333 1.896 3.643 . 0 0 "[ . 1 . 2]" 1
1308 1 141 THR MG 1 142 LEU QD . . 3.120 1.651 1.609 1.782 . 0 0 "[ . 1 . 2]" 1
1309 1 141 THR MG 1 142 LEU MD2 . . 3.660 1.750 1.737 1.786 . 0 0 "[ . 1 . 2]" 1
1310 1 142 LEU H 1 142 LEU QB . . 3.160 2.638 2.445 3.201 0.041 14 0 "[ . 1 . 2]" 1
1311 1 142 LEU H 1 142 LEU MD1 . . 3.390 3.089 2.942 3.510 0.120 15 0 "[ . 1 . 2]" 1
1312 1 142 LEU H 1 142 LEU QD . . 2.940 2.163 1.891 2.971 0.031 13 0 "[ . 1 . 2]" 1
1313 1 142 LEU H 1 142 LEU MD2 . . 3.390 2.239 1.913 3.212 . 0 0 "[ . 1 . 2]" 1
1314 1 142 LEU H 1 142 LEU HG . . 4.560 3.593 1.922 4.152 . 0 0 "[ . 1 . 2]" 1
1315 1 142 LEU H 1 143 SER H . . 3.520 2.897 2.478 3.041 . 0 0 "[ . 1 . 2]" 1
1316 1 142 LEU HA 1 142 LEU MD1 . . 4.400 2.520 2.004 4.059 . 0 0 "[ . 1 . 2]" 1
1317 1 142 LEU HA 1 142 LEU QD . . 3.100 2.324 1.990 3.317 0.217 13 0 "[ . 1 . 2]" 1
1318 1 142 LEU HA 1 142 LEU MD2 . . 4.400 3.432 3.400 3.522 . 0 0 "[ . 1 . 2]" 1
1319 1 142 LEU HA 1 143 SER H . . 2.970 2.819 2.803 2.864 . 0 0 "[ . 1 . 2]" 1
1320 1 142 LEU QB 1 142 LEU QD . . 2.790 1.965 1.823 2.013 . 0 0 "[ . 1 . 2]" 1
1321 1 142 LEU QD 1 143 SER H . . 3.910 3.932 3.812 4.290 0.380 10 0 "[ . 1 . 2]" 1
1322 1 142 LEU MD1 1 143 SER H . . 4.740 4.246 4.098 4.687 . 0 0 "[ . 1 . 2]" 1
1323 1 142 LEU MD2 1 143 SER H . . 4.740 4.647 4.533 4.982 0.242 13 0 "[ . 1 . 2]" 1
stop_
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