NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
419913 |
2edx   |
10265 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2edx
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 1939
_Distance_constraint_stats_list.Viol_count 926
_Distance_constraint_stats_list.Viol_total 223.076
_Distance_constraint_stats_list.Viol_max 0.197
_Distance_constraint_stats_list.Viol_rms 0.0038
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0120
_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 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 THR 0.154 0.059 10 0 "[ . 1 . 2]"
1 9 ILE 0.219 0.059 10 0 "[ . 1 . 2]"
1 10 GLU 0.076 0.048 15 0 "[ . 1 . 2]"
1 11 ALA 0.014 0.008 20 0 "[ . 1 . 2]"
1 12 ARG 0.002 0.002 5 0 "[ . 1 . 2]"
1 13 THR 0.006 0.005 15 0 "[ . 1 . 2]"
1 14 ALA 0.012 0.005 10 0 "[ . 1 . 2]"
1 15 GLN 0.025 0.023 16 0 "[ . 1 . 2]"
1 16 SER 0.369 0.118 20 0 "[ . 1 . 2]"
1 17 THR 0.330 0.118 20 0 "[ . 1 . 2]"
1 18 PRO 0.152 0.018 15 0 "[ . 1 . 2]"
1 19 SER 0.011 0.011 13 0 "[ . 1 . 2]"
1 20 ALA 0.052 0.014 16 0 "[ . 1 . 2]"
1 21 PRO 0.071 0.018 15 0 "[ . 1 . 2]"
1 22 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 GLN 0.277 0.031 11 0 "[ . 1 . 2]"
1 24 LYS 1.232 0.155 14 0 "[ . 1 . 2]"
1 25 VAL 0.097 0.024 4 0 "[ . 1 . 2]"
1 26 MET 0.064 0.016 10 0 "[ . 1 . 2]"
1 27 CYS 0.013 0.004 2 0 "[ . 1 . 2]"
1 28 VAL 0.382 0.154 15 0 "[ . 1 . 2]"
1 29 SER 0.255 0.094 15 0 "[ . 1 . 2]"
1 30 MET 0.370 0.154 15 0 "[ . 1 . 2]"
1 31 GLY 0.228 0.043 16 0 "[ . 1 . 2]"
1 32 SER 0.473 0.043 16 0 "[ . 1 . 2]"
1 33 THR 0.002 0.001 15 0 "[ . 1 . 2]"
1 34 THR 0.587 0.044 16 0 "[ . 1 . 2]"
1 35 VAL 0.406 0.059 15 0 "[ . 1 . 2]"
1 36 ARG 0.472 0.094 15 0 "[ . 1 . 2]"
1 37 VAL 0.120 0.026 14 0 "[ . 1 . 2]"
1 38 SER 0.038 0.013 15 0 "[ . 1 . 2]"
1 39 TRP 0.309 0.027 10 0 "[ . 1 . 2]"
1 40 VAL 1.086 0.145 11 0 "[ . 1 . 2]"
1 41 PRO 0.073 0.055 15 0 "[ . 1 . 2]"
1 44 ALA 0.010 0.005 8 0 "[ . 1 . 2]"
1 45 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ARG 0.022 0.011 17 0 "[ . 1 . 2]"
1 48 ASN 0.034 0.012 14 0 "[ . 1 . 2]"
1 49 GLY 0.121 0.037 9 0 "[ . 1 . 2]"
1 50 VAL 0.302 0.037 9 0 "[ . 1 . 2]"
1 51 ILE 0.190 0.037 3 0 "[ . 1 . 2]"
1 52 THR 0.255 0.078 17 0 "[ . 1 . 2]"
1 53 GLN 0.125 0.034 16 0 "[ . 1 . 2]"
1 54 TYR 0.064 0.029 16 0 "[ . 1 . 2]"
1 55 SER 0.087 0.011 6 0 "[ . 1 . 2]"
1 56 VAL 0.159 0.018 3 0 "[ . 1 . 2]"
1 57 ALA 0.108 0.021 16 0 "[ . 1 . 2]"
1 58 TYR 0.127 0.022 3 0 "[ . 1 . 2]"
1 59 GLU 0.098 0.019 5 0 "[ . 1 . 2]"
1 60 ALA 0.065 0.011 20 0 "[ . 1 . 2]"
1 61 VAL 0.027 0.016 3 0 "[ . 1 . 2]"
1 62 ASP 0.022 0.016 3 0 "[ . 1 . 2]"
1 63 GLY 0.002 0.001 20 0 "[ . 1 . 2]"
1 64 GLU 0.362 0.088 15 0 "[ . 1 . 2]"
1 65 ASP 0.050 0.018 3 0 "[ . 1 . 2]"
1 66 ARG 0.032 0.015 20 0 "[ . 1 . 2]"
1 67 GLY 0.056 0.015 20 0 "[ . 1 . 2]"
1 68 ARG 0.407 0.052 12 0 "[ . 1 . 2]"
1 69 HIS 0.435 0.052 12 0 "[ . 1 . 2]"
1 70 VAL 0.142 0.018 5 0 "[ . 1 . 2]"
1 71 VAL 0.134 0.022 3 0 "[ . 1 . 2]"
1 72 ASP 0.031 0.009 10 0 "[ . 1 . 2]"
1 73 GLY 0.016 0.007 4 0 "[ . 1 . 2]"
1 74 ILE 0.136 0.019 10 0 "[ . 1 . 2]"
1 75 SER 0.067 0.023 7 0 "[ . 1 . 2]"
1 76 ARG 0.106 0.023 7 0 "[ . 1 . 2]"
1 77 GLU 0.085 0.024 10 0 "[ . 1 . 2]"
1 78 HIS 0.190 0.036 20 0 "[ . 1 . 2]"
1 79 SER 0.081 0.036 20 0 "[ . 1 . 2]"
1 80 SER 0.066 0.018 16 0 "[ . 1 . 2]"
1 81 TRP 0.167 0.018 10 0 "[ . 1 . 2]"
1 82 ASP 0.565 0.047 14 0 "[ . 1 . 2]"
1 83 LEU 0.135 0.018 10 0 "[ . 1 . 2]"
1 84 VAL 0.125 0.017 10 0 "[ . 1 . 2]"
1 85 GLY 0.011 0.007 15 0 "[ . 1 . 2]"
1 86 LEU 0.032 0.009 17 0 "[ . 1 . 2]"
1 87 GLU 0.017 0.007 17 0 "[ . 1 . 2]"
1 88 LYS 0.309 0.057 8 0 "[ . 1 . 2]"
1 89 TRP 0.425 0.052 17 0 "[ . 1 . 2]"
1 90 THR 0.139 0.022 7 0 "[ . 1 . 2]"
1 91 GLU 0.023 0.009 16 0 "[ . 1 . 2]"
1 92 TYR 0.255 0.044 16 0 "[ . 1 . 2]"
1 93 ARG 0.018 0.009 8 0 "[ . 1 . 2]"
1 94 VAL 0.210 0.044 16 0 "[ . 1 . 2]"
1 95 TRP 0.070 0.013 10 0 "[ . 1 . 2]"
1 96 VAL 0.037 0.008 15 0 "[ . 1 . 2]"
1 97 ARG 0.121 0.029 16 0 "[ . 1 . 2]"
1 98 ALA 0.021 0.004 20 0 "[ . 1 . 2]"
1 99 HIS 0.009 0.009 16 0 "[ . 1 . 2]"
1 100 THR 0.123 0.034 16 0 "[ . 1 . 2]"
1 101 ASP 0.005 0.004 3 0 "[ . 1 . 2]"
1 102 VAL 0.193 0.065 16 0 "[ . 1 . 2]"
1 103 GLY 0.011 0.009 16 0 "[ . 1 . 2]"
1 104 PRO 0.008 0.004 17 0 "[ . 1 . 2]"
1 105 GLY 0.009 0.005 17 0 "[ . 1 . 2]"
1 106 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 GLU 0.032 0.013 10 0 "[ . 1 . 2]"
1 108 SER 0.061 0.014 10 0 "[ . 1 . 2]"
1 109 SER 0.820 0.167 14 0 "[ . 1 . 2]"
1 110 PRO 0.056 0.014 10 0 "[ . 1 . 2]"
1 111 VAL 0.132 0.031 12 0 "[ . 1 . 2]"
1 112 LEU 0.138 0.031 12 0 "[ . 1 . 2]"
1 113 VAL 0.208 0.019 20 0 "[ . 1 . 2]"
1 114 ARG 0.263 0.069 9 0 "[ . 1 . 2]"
1 115 THR 0.120 0.019 17 0 "[ . 1 . 2]"
1 116 ASP 0.183 0.035 3 0 "[ . 1 . 2]"
1 117 GLU 0.425 0.052 17 0 "[ . 1 . 2]"
1 118 ASP 0.253 0.044 17 0 "[ . 1 . 2]"
1 119 VAL 0.102 0.028 8 0 "[ . 1 . 2]"
1 120 PRO 0.574 0.037 7 0 "[ . 1 . 2]"
1 121 SER 0.516 0.037 7 0 "[ . 1 . 2]"
1 122 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 PRO 0.389 0.197 19 0 "[ . 1 . 2]"
1 125 ARG 0.389 0.197 19 0 "[ . 1 . 2]"
1 126 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 127 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 128 GLU 0.000 0.000 . 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 7 GLY H 1 8 THR HA . . 4.720 4.527 4.221 4.719 . 0 0 "[ . 1 . 2]" 1
2 1 8 THR HA 1 8 THR MG . . 3.740 2.309 2.079 3.194 . 0 0 "[ . 1 . 2]" 1
3 1 8 THR HA 1 9 ILE H . . 3.110 2.276 2.141 2.924 . 0 0 "[ . 1 . 2]" 1
4 1 8 THR HB 1 9 ILE H . . 4.270 3.921 2.459 4.329 0.059 10 0 "[ . 1 . 2]" 1
5 1 8 THR MG 1 9 ILE H . . 4.350 3.300 1.883 4.391 0.041 10 0 "[ . 1 . 2]" 1
6 1 9 ILE H 1 9 ILE HB . . 3.750 3.104 2.437 3.735 . 0 0 "[ . 1 . 2]" 1
7 1 9 ILE H 1 9 ILE MD . . 5.060 3.218 1.838 4.079 . 0 0 "[ . 1 . 2]" 1
8 1 9 ILE H 1 9 ILE HG12 . . 4.580 3.098 2.163 4.214 . 0 0 "[ . 1 . 2]" 1
9 1 9 ILE H 1 9 ILE QG . . 3.890 2.530 1.949 3.435 . 0 0 "[ . 1 . 2]" 1
10 1 9 ILE H 1 9 ILE HG13 . . 4.580 3.049 1.958 4.131 . 0 0 "[ . 1 . 2]" 1
11 1 9 ILE HA 1 9 ILE MD . . 4.370 3.574 1.974 4.166 . 0 0 "[ . 1 . 2]" 1
12 1 9 ILE HA 1 9 ILE QG . . 3.640 2.906 2.252 3.441 . 0 0 "[ . 1 . 2]" 1
13 1 9 ILE HA 1 9 ILE MG . . 3.530 2.360 2.150 2.547 . 0 0 "[ . 1 . 2]" 1
14 1 9 ILE HA 1 10 GLU H . . 3.030 2.327 2.143 2.741 . 0 0 "[ . 1 . 2]" 1
15 1 9 ILE HB 1 9 ILE MD . . 3.500 2.489 2.101 3.231 . 0 0 "[ . 1 . 2]" 1
16 1 9 ILE HB 1 10 GLU HA . . 4.770 4.639 4.275 4.780 0.010 15 0 "[ . 1 . 2]" 1
17 1 9 ILE QG 1 10 GLU H . . 4.840 3.887 2.445 4.888 0.048 15 0 "[ . 1 . 2]" 1
18 1 9 ILE MG 1 10 GLU H . . 4.230 3.067 1.930 4.012 . 0 0 "[ . 1 . 2]" 1
19 1 10 GLU H 1 10 GLU QB . . 3.390 2.667 2.350 3.243 . 0 0 "[ . 1 . 2]" 1
20 1 10 GLU H 1 10 GLU HG2 . . 5.270 3.942 1.958 4.764 . 0 0 "[ . 1 . 2]" 1
21 1 10 GLU H 1 10 GLU QG . . 4.450 3.326 1.947 4.194 . 0 0 "[ . 1 . 2]" 1
22 1 10 GLU H 1 10 GLU HG3 . . 5.270 3.872 2.139 4.793 . 0 0 "[ . 1 . 2]" 1
23 1 10 GLU HA 1 10 GLU QG . . 3.730 2.640 2.174 3.442 . 0 0 "[ . 1 . 2]" 1
24 1 10 GLU HA 1 11 ALA H . . 3.130 2.282 2.138 3.138 0.008 20 0 "[ . 1 . 2]" 1
25 1 10 GLU HA 1 11 ALA MB . . 4.830 4.005 3.800 4.741 . 0 0 "[ . 1 . 2]" 1
26 1 10 GLU QB 1 10 GLU QG . . 2.360 2.061 2.013 2.086 . 0 0 "[ . 1 . 2]" 1
27 1 10 GLU HG2 1 11 ALA H . . 5.500 4.062 2.024 5.447 . 0 0 "[ . 1 . 2]" 1
28 1 10 GLU HG3 1 11 ALA H . . 5.500 4.167 2.631 5.504 0.004 20 0 "[ . 1 . 2]" 1
29 1 11 ALA H 1 11 ALA MB . . 3.390 2.494 2.095 2.829 . 0 0 "[ . 1 . 2]" 1
30 1 11 ALA HA 1 12 ARG H . . 3.380 2.324 2.142 3.382 0.002 5 0 "[ . 1 . 2]" 1
31 1 11 ALA HA 1 12 ARG QB . . 4.520 4.310 4.051 4.512 . 0 0 "[ . 1 . 2]" 1
32 1 11 ALA MB 1 12 ARG H . . 4.570 2.955 2.198 3.656 . 0 0 "[ . 1 . 2]" 1
33 1 11 ALA MB 1 12 ARG HA . . 5.140 4.309 3.867 4.615 . 0 0 "[ . 1 . 2]" 1
34 1 12 ARG HA 1 12 ARG QD . . 4.300 3.469 2.006 4.264 . 0 0 "[ . 1 . 2]" 1
35 1 12 ARG HA 1 12 ARG QG . . 3.670 2.580 2.176 3.342 . 0 0 "[ . 1 . 2]" 1
36 1 12 ARG QB 1 12 ARG QD . . 3.180 2.176 2.066 2.364 . 0 0 "[ . 1 . 2]" 1
37 1 12 ARG QB 1 13 THR HA . . 5.340 4.326 3.813 4.925 . 0 0 "[ . 1 . 2]" 1
38 1 12 ARG HB2 1 12 ARG QD . . 3.860 2.690 2.153 3.393 . 0 0 "[ . 1 . 2]" 1
39 1 12 ARG HB2 1 12 ARG QG . . 2.560 2.294 2.144 2.453 . 0 0 "[ . 1 . 2]" 1
40 1 12 ARG HB3 1 12 ARG QD . . 3.860 2.487 2.128 3.397 . 0 0 "[ . 1 . 2]" 1
41 1 12 ARG HB3 1 12 ARG QG . . 2.560 2.346 2.154 2.467 . 0 0 "[ . 1 . 2]" 1
42 1 13 THR HA 1 13 THR MG . . 3.190 2.428 2.214 3.195 0.005 15 0 "[ . 1 . 2]" 1
43 1 14 ALA HA 1 15 GLN H . . 3.210 2.352 2.153 2.826 . 0 0 "[ . 1 . 2]" 1
44 1 14 ALA MB 1 15 GLN H . . 3.780 2.847 2.216 3.676 . 0 0 "[ . 1 . 2]" 1
45 1 14 ALA MB 1 15 GLN HA . . 5.500 4.139 3.858 4.404 . 0 0 "[ . 1 . 2]" 1
46 1 14 ALA MB 1 15 GLN QG . . 5.500 4.900 3.989 5.502 0.002 17 0 "[ . 1 . 2]" 1
47 1 14 ALA MB 1 100 THR HB . . 4.910 4.329 2.394 4.878 . 0 0 "[ . 1 . 2]" 1
48 1 14 ALA MB 1 100 THR MG . . 4.830 4.026 2.211 4.835 0.005 10 0 "[ . 1 . 2]" 1
49 1 14 ALA MB 1 102 VAL MG1 . . 4.560 3.461 1.908 4.307 . 0 0 "[ . 1 . 2]" 1
50 1 14 ALA MB 1 102 VAL QG . . 3.830 2.556 1.845 3.618 . 0 0 "[ . 1 . 2]" 1
51 1 14 ALA MB 1 102 VAL MG2 . . 4.560 3.038 1.879 4.563 0.003 8 0 "[ . 1 . 2]" 1
52 1 15 GLN H 1 15 GLN QB . . 3.520 2.437 2.180 3.035 . 0 0 "[ . 1 . 2]" 1
53 1 15 GLN H 1 15 GLN QG . . 4.140 3.436 2.143 4.129 . 0 0 "[ . 1 . 2]" 1
54 1 15 GLN HA 1 15 GLN QG . . 3.570 2.465 2.178 3.144 . 0 0 "[ . 1 . 2]" 1
55 1 15 GLN HA 1 102 VAL QG . . 4.600 3.149 1.787 4.574 . 0 0 "[ . 1 . 2]" 1
56 1 15 GLN QB 1 102 VAL QG . . 4.040 3.295 1.914 4.063 0.023 16 0 "[ . 1 . 2]" 1
57 1 16 SER HA 1 17 THR H . . 3.440 2.552 2.137 3.558 0.118 20 0 "[ . 1 . 2]" 1
58 1 16 SER HA 1 102 VAL QG . . 4.170 3.006 1.965 3.971 . 0 0 "[ . 1 . 2]" 1
59 1 16 SER QB 1 17 THR H . . 3.800 3.020 2.233 3.841 0.041 10 0 "[ . 1 . 2]" 1
60 1 16 SER QB 1 17 THR MG . . 4.740 4.469 3.777 4.731 . 0 0 "[ . 1 . 2]" 1
61 1 16 SER QB 1 102 VAL QG . . 3.750 3.202 1.677 3.815 0.065 16 0 "[ . 1 . 2]" 1
62 1 17 THR H 1 17 THR MG . . 3.850 3.043 2.245 3.717 . 0 0 "[ . 1 . 2]" 1
63 1 17 THR H 1 102 VAL QG . . 4.830 3.403 1.988 4.451 . 0 0 "[ . 1 . 2]" 1
64 1 17 THR HA 1 17 THR MG . . 3.640 2.197 2.003 2.358 . 0 0 "[ . 1 . 2]" 1
65 1 17 THR HA 1 18 PRO HD2 . . 3.750 2.344 2.242 2.519 . 0 0 "[ . 1 . 2]" 1
66 1 17 THR HA 1 18 PRO HD3 . . 3.750 2.284 2.259 2.354 . 0 0 "[ . 1 . 2]" 1
67 1 17 THR HA 1 18 PRO QG . . 4.270 3.968 3.908 4.080 . 0 0 "[ . 1 . 2]" 1
68 1 17 THR HA 1 102 VAL QG . . 3.930 3.203 2.400 3.863 . 0 0 "[ . 1 . 2]" 1
69 1 17 THR HB 1 18 PRO HD2 . . 3.890 2.226 1.995 2.438 . 0 0 "[ . 1 . 2]" 1
70 1 17 THR HB 1 18 PRO QD . . 3.390 2.207 1.982 2.411 . 0 0 "[ . 1 . 2]" 1
71 1 17 THR HB 1 18 PRO HD3 . . 3.890 3.640 3.439 3.818 . 0 0 "[ . 1 . 2]" 1
72 1 17 THR HB 1 18 PRO QG . . 4.520 3.724 3.500 3.893 . 0 0 "[ . 1 . 2]" 1
73 1 17 THR MG 1 18 PRO QD . . 4.090 2.655 2.268 3.044 . 0 0 "[ . 1 . 2]" 1
74 1 17 THR MG 1 100 THR H . . 3.920 3.411 3.056 3.741 . 0 0 "[ . 1 . 2]" 1
75 1 17 THR MG 1 102 VAL HB . . 4.920 4.209 3.516 4.972 0.052 16 0 "[ . 1 . 2]" 1
76 1 17 THR MG 1 102 VAL QG . . 2.890 2.231 1.720 2.890 . 0 0 "[ . 1 . 2]" 1
77 1 17 THR MG 1 103 GLY H . . 4.120 3.541 2.875 3.864 . 0 0 "[ . 1 . 2]" 1
78 1 17 THR MG 1 103 GLY QA . . 4.600 3.432 2.507 3.871 . 0 0 "[ . 1 . 2]" 1
79 1 17 THR MG 1 104 PRO QD . . 4.440 4.191 3.652 4.444 0.004 17 0 "[ . 1 . 2]" 1
80 1 17 THR MG 1 105 GLY H . . 4.610 4.153 2.870 4.580 . 0 0 "[ . 1 . 2]" 1
81 1 18 PRO HA 1 19 SER H . . 3.470 2.254 2.151 2.430 . 0 0 "[ . 1 . 2]" 1
82 1 18 PRO HA 1 48 ASN HD21 . . 3.740 2.881 1.905 3.685 . 0 0 "[ . 1 . 2]" 1
83 1 18 PRO HA 1 48 ASN QD . . 3.260 2.220 1.889 2.798 . 0 0 "[ . 1 . 2]" 1
84 1 18 PRO HA 1 48 ASN HD22 . . 3.740 2.703 1.901 3.687 . 0 0 "[ . 1 . 2]" 1
85 1 18 PRO HB2 1 20 ALA H . . 4.830 4.333 3.902 4.497 . 0 0 "[ . 1 . 2]" 1
86 1 18 PRO HB2 1 21 PRO HB2 . . 3.740 3.718 3.644 3.758 0.018 15 0 "[ . 1 . 2]" 1
87 1 18 PRO HB2 1 21 PRO HD2 . . 3.940 3.147 2.850 3.374 . 0 0 "[ . 1 . 2]" 1
88 1 18 PRO HB2 1 21 PRO HD3 . . 5.090 4.553 4.286 4.760 . 0 0 "[ . 1 . 2]" 1
89 1 18 PRO HB2 1 22 PRO QD . . 5.350 4.250 3.864 4.590 . 0 0 "[ . 1 . 2]" 1
90 1 18 PRO HB2 1 48 ASN QD . . 4.940 4.104 3.498 4.841 . 0 0 "[ . 1 . 2]" 1
91 1 18 PRO HB2 1 98 ALA MB . . 4.190 3.934 3.486 4.194 0.004 20 0 "[ . 1 . 2]" 1
92 1 18 PRO HB2 1 100 THR MG . . 5.340 5.222 4.727 5.357 0.017 16 0 "[ . 1 . 2]" 1
93 1 18 PRO HB3 1 20 ALA H . . 5.500 5.372 5.008 5.514 0.014 16 0 "[ . 1 . 2]" 1
94 1 18 PRO HB3 1 21 PRO HG2 . . 2.740 2.512 2.392 2.656 . 0 0 "[ . 1 . 2]" 1
95 1 18 PRO HB3 1 48 ASN H . . 4.970 4.726 4.295 4.982 0.012 14 0 "[ . 1 . 2]" 1
96 1 18 PRO HB3 1 48 ASN QD . . 5.040 3.624 2.956 4.446 . 0 0 "[ . 1 . 2]" 1
97 1 18 PRO HB3 1 49 GLY H . . 4.810 4.377 3.532 4.818 0.008 16 0 "[ . 1 . 2]" 1
98 1 18 PRO HB3 1 100 THR MG . . 5.110 4.233 3.534 4.467 . 0 0 "[ . 1 . 2]" 1
99 1 18 PRO QD 1 98 ALA MB . . 4.550 3.690 3.148 4.108 . 0 0 "[ . 1 . 2]" 1
100 1 18 PRO QD 1 100 THR H . . 4.420 4.231 4.072 4.428 0.008 16 0 "[ . 1 . 2]" 1
101 1 18 PRO QD 1 100 THR MG . . 3.360 2.003 1.908 2.223 . 0 0 "[ . 1 . 2]" 1
102 1 18 PRO HD2 1 100 THR H . . 5.140 4.597 4.374 4.961 . 0 0 "[ . 1 . 2]" 1
103 1 18 PRO HD2 1 100 THR MG . . 3.940 3.019 2.547 3.424 . 0 0 "[ . 1 . 2]" 1
104 1 18 PRO HD3 1 100 THR H . . 5.140 4.962 4.497 5.146 0.006 14 0 "[ . 1 . 2]" 1
105 1 18 PRO HD3 1 100 THR MG . . 3.940 2.037 1.956 2.262 . 0 0 "[ . 1 . 2]" 1
106 1 18 PRO QG 1 98 ALA MB . . 3.450 2.324 1.828 2.708 . 0 0 "[ . 1 . 2]" 1
107 1 18 PRO QG 1 100 THR MG . . 3.490 3.188 2.767 3.490 0.000 18 0 "[ . 1 . 2]" 1
108 1 19 SER H 1 20 ALA H . . 3.710 2.430 2.252 2.615 . 0 0 "[ . 1 . 2]" 1
109 1 19 SER H 1 48 ASN HD21 . . 4.160 3.208 2.319 4.140 . 0 0 "[ . 1 . 2]" 1
110 1 19 SER H 1 48 ASN HD22 . . 4.160 2.800 1.866 3.767 . 0 0 "[ . 1 . 2]" 1
111 1 19 SER HA 1 20 ALA MB . . 5.500 5.021 5.012 5.034 . 0 0 "[ . 1 . 2]" 1
112 1 19 SER QB 1 20 ALA MB . . 4.010 3.550 3.296 4.021 0.011 13 0 "[ . 1 . 2]" 1
113 1 19 SER QB 1 48 ASN QD . . 3.860 3.359 2.332 3.813 . 0 0 "[ . 1 . 2]" 1
114 1 19 SER HB2 1 20 ALA H . . 4.090 3.227 2.235 3.822 . 0 0 "[ . 1 . 2]" 1
115 1 19 SER HB3 1 20 ALA H . . 4.090 2.479 1.916 3.618 . 0 0 "[ . 1 . 2]" 1
116 1 20 ALA H 1 20 ALA MB . . 3.470 2.052 2.030 2.084 . 0 0 "[ . 1 . 2]" 1
117 1 20 ALA H 1 21 PRO HD3 . . 4.600 3.153 3.041 3.348 . 0 0 "[ . 1 . 2]" 1
118 1 20 ALA MB 1 21 PRO HB2 . . 5.000 4.885 4.840 4.956 . 0 0 "[ . 1 . 2]" 1
119 1 20 ALA MB 1 21 PRO HB3 . . 4.060 3.969 3.938 4.046 . 0 0 "[ . 1 . 2]" 1
120 1 20 ALA MB 1 21 PRO HD2 . . 3.660 2.379 2.230 2.521 . 0 0 "[ . 1 . 2]" 1
121 1 20 ALA MB 1 21 PRO HD3 . . 3.070 1.876 1.819 1.970 . 0 0 "[ . 1 . 2]" 1
122 1 20 ALA MB 1 21 PRO HG2 . . 4.710 4.132 4.042 4.223 . 0 0 "[ . 1 . 2]" 1
123 1 20 ALA MB 1 21 PRO HG3 . . 4.260 3.798 3.720 3.888 . 0 0 "[ . 1 . 2]" 1
124 1 20 ALA MB 1 23 GLN HA . . 5.500 5.046 4.250 5.513 0.013 19 0 "[ . 1 . 2]" 1
125 1 20 ALA MB 1 23 GLN HE21 . . 4.250 3.178 2.256 3.669 . 0 0 "[ . 1 . 2]" 1
126 1 20 ALA MB 1 23 GLN QE . . 3.710 2.801 2.025 3.199 . 0 0 "[ . 1 . 2]" 1
127 1 20 ALA MB 1 23 GLN HE22 . . 4.250 3.147 2.292 3.652 . 0 0 "[ . 1 . 2]" 1
128 1 21 PRO HB2 1 22 PRO HA . . 4.440 2.782 2.212 3.255 . 0 0 "[ . 1 . 2]" 1
129 1 21 PRO HB2 1 23 GLN H . . 4.800 4.201 3.676 4.603 . 0 0 "[ . 1 . 2]" 1
130 1 21 PRO HB3 1 22 PRO HA . . 3.540 3.099 2.770 3.402 . 0 0 "[ . 1 . 2]" 1
131 1 21 PRO HD2 1 23 GLN QE . . 5.190 4.490 3.783 4.823 . 0 0 "[ . 1 . 2]" 1
132 1 21 PRO HD2 1 23 GLN QG . . 5.320 4.699 4.069 5.060 . 0 0 "[ . 1 . 2]" 1
133 1 21 PRO HD3 1 23 GLN HE21 . . 4.200 3.074 2.216 3.512 . 0 0 "[ . 1 . 2]" 1
134 1 21 PRO HD3 1 23 GLN HE22 . . 4.200 3.719 2.980 4.201 0.001 9 0 "[ . 1 . 2]" 1
135 1 21 PRO HD3 1 23 GLN QG . . 3.820 3.494 2.860 3.830 0.010 16 0 "[ . 1 . 2]" 1
136 1 21 PRO HG3 1 23 GLN QE . . 3.920 3.704 3.331 3.928 0.008 15 0 "[ . 1 . 2]" 1
137 1 21 PRO HG3 1 23 GLN QG . . 4.910 4.322 4.069 4.620 . 0 0 "[ . 1 . 2]" 1
138 1 22 PRO HA 1 23 GLN QG . . 4.360 3.384 3.243 3.571 . 0 0 "[ . 1 . 2]" 1
139 1 22 PRO QB 1 23 GLN H . . 3.720 3.215 2.991 3.380 . 0 0 "[ . 1 . 2]" 1
140 1 22 PRO QB 1 25 VAL MG2 . . 3.900 2.554 2.285 2.964 . 0 0 "[ . 1 . 2]" 1
141 1 22 PRO QB 1 39 TRP HB2 . . 4.400 2.497 2.061 3.149 . 0 0 "[ . 1 . 2]" 1
142 1 22 PRO QB 1 40 VAL H . . 4.790 4.368 3.976 4.758 . 0 0 "[ . 1 . 2]" 1
143 1 22 PRO QB 1 54 TYR QE . . 4.170 2.661 2.244 3.084 . 0 0 "[ . 1 . 2]" 1
144 1 22 PRO QD 1 54 TYR QD . . 5.350 4.288 3.786 4.795 . 0 0 "[ . 1 . 2]" 1
145 1 22 PRO QD 1 54 TYR QE . . 5.350 3.325 2.815 3.944 . 0 0 "[ . 1 . 2]" 1
146 1 22 PRO QG 1 23 GLN H . . 5.330 4.609 4.485 4.688 . 0 0 "[ . 1 . 2]" 1
147 1 22 PRO QG 1 54 TYR QD . . 4.320 3.551 3.270 4.042 . 0 0 "[ . 1 . 2]" 1
148 1 22 PRO QG 1 54 TYR QE . . 4.570 3.370 2.882 3.886 . 0 0 "[ . 1 . 2]" 1
149 1 22 PRO QG 1 96 VAL MG1 . . 4.470 3.156 2.769 3.583 . 0 0 "[ . 1 . 2]" 1
150 1 22 PRO QG 1 96 VAL MG2 . . 3.410 2.760 2.230 3.394 . 0 0 "[ . 1 . 2]" 1
151 1 22 PRO QG 1 98 ALA MB . . 3.590 3.171 2.625 3.486 . 0 0 "[ . 1 . 2]" 1
152 1 23 GLN H 1 23 GLN HB3 . . 3.540 3.408 3.195 3.542 0.002 20 0 "[ . 1 . 2]" 1
153 1 23 GLN H 1 23 GLN QE . . 5.340 4.159 4.005 4.439 . 0 0 "[ . 1 . 2]" 1
154 1 23 GLN H 1 23 GLN QG . . 3.080 2.072 1.947 2.262 . 0 0 "[ . 1 . 2]" 1
155 1 23 GLN H 1 24 LYS H . . 4.550 4.427 4.377 4.493 . 0 0 "[ . 1 . 2]" 1
156 1 23 GLN H 1 39 TRP HA . . 5.500 5.227 4.841 5.508 0.008 19 0 "[ . 1 . 2]" 1
157 1 23 GLN H 1 39 TRP HB2 . . 4.510 3.539 3.214 3.785 . 0 0 "[ . 1 . 2]" 1
158 1 23 GLN H 1 39 TRP HB3 . . 5.100 4.915 4.654 5.103 0.003 5 0 "[ . 1 . 2]" 1
159 1 23 GLN H 1 40 VAL H . . 3.790 3.525 3.088 3.821 0.031 11 0 "[ . 1 . 2]" 1
160 1 23 GLN H 1 40 VAL HB . . 5.120 4.103 2.341 5.123 0.003 19 0 "[ . 1 . 2]" 1
161 1 23 GLN H 1 40 VAL QG . . 3.600 2.725 1.859 3.607 0.007 9 0 "[ . 1 . 2]" 1
162 1 23 GLN HA 1 23 GLN QG . . 3.600 3.275 3.249 3.327 . 0 0 "[ . 1 . 2]" 1
163 1 23 GLN HA 1 24 LYS H . . 3.030 2.571 2.394 2.658 . 0 0 "[ . 1 . 2]" 1
164 1 23 GLN HA 1 24 LYS HA . . 4.650 4.581 4.523 4.650 0.000 16 0 "[ . 1 . 2]" 1
165 1 23 GLN HA 1 24 LYS QG . . 4.610 4.234 3.973 4.449 . 0 0 "[ . 1 . 2]" 1
166 1 23 GLN HA 1 25 VAL H . . 3.830 3.366 3.160 3.671 . 0 0 "[ . 1 . 2]" 1
167 1 23 GLN HA 1 25 VAL MG2 . . 4.250 3.047 2.860 3.310 . 0 0 "[ . 1 . 2]" 1
168 1 23 GLN HB2 1 23 GLN HE21 . . 4.710 4.406 4.268 4.481 . 0 0 "[ . 1 . 2]" 1
169 1 23 GLN HB2 1 23 GLN HE22 . . 4.710 4.625 4.517 4.737 0.027 4 0 "[ . 1 . 2]" 1
170 1 23 GLN HB2 1 24 LYS H . . 3.380 2.100 1.910 2.491 . 0 0 "[ . 1 . 2]" 1
171 1 23 GLN HB2 1 24 LYS HA . . 4.380 4.115 4.010 4.264 . 0 0 "[ . 1 . 2]" 1
172 1 23 GLN HB2 1 24 LYS QG . . 3.670 2.434 2.206 2.727 . 0 0 "[ . 1 . 2]" 1
173 1 23 GLN HB2 1 25 VAL H . . 5.080 4.625 4.365 4.881 . 0 0 "[ . 1 . 2]" 1
174 1 23 GLN HB2 1 40 VAL H . . 5.500 5.368 4.928 5.525 0.025 4 0 "[ . 1 . 2]" 1
175 1 23 GLN HB2 1 40 VAL QG . . 5.130 3.469 2.965 4.212 . 0 0 "[ . 1 . 2]" 1
176 1 23 GLN HB3 1 24 LYS H . . 3.660 3.310 3.196 3.490 . 0 0 "[ . 1 . 2]" 1
177 1 23 GLN HB3 1 24 LYS QG . . 4.130 4.008 3.871 4.154 0.024 16 0 "[ . 1 . 2]" 1
178 1 23 GLN QE 1 23 GLN QG . . 3.030 2.163 2.067 2.226 . 0 0 "[ . 1 . 2]" 1
179 1 23 GLN QE 1 40 VAL QG . . 3.840 3.103 2.571 3.729 . 0 0 "[ . 1 . 2]" 1
180 1 23 GLN HE21 1 40 VAL MG1 . . 5.360 3.347 2.694 4.323 . 0 0 "[ . 1 . 2]" 1
181 1 23 GLN HE21 1 40 VAL MG2 . . 5.360 4.704 4.263 5.182 . 0 0 "[ . 1 . 2]" 1
182 1 23 GLN HE22 1 23 GLN QG . . 3.540 3.218 3.216 3.236 . 0 0 "[ . 1 . 2]" 1
183 1 23 GLN HE22 1 40 VAL MG1 . . 5.360 4.135 3.288 4.600 . 0 0 "[ . 1 . 2]" 1
184 1 23 GLN HE22 1 40 VAL MG2 . . 5.360 5.222 4.667 5.373 0.013 15 0 "[ . 1 . 2]" 1
185 1 23 GLN QG 1 24 LYS H . . 4.220 3.773 3.350 4.080 . 0 0 "[ . 1 . 2]" 1
186 1 23 GLN QG 1 24 LYS HA . . 5.500 5.235 4.690 5.437 . 0 0 "[ . 1 . 2]" 1
187 1 23 GLN QG 1 24 LYS QG . . 4.220 2.840 2.064 3.601 . 0 0 "[ . 1 . 2]" 1
188 1 23 GLN QG 1 25 VAL H . . 5.500 5.305 5.001 5.506 0.006 4 0 "[ . 1 . 2]" 1
189 1 23 GLN QG 1 40 VAL H . . 4.360 3.997 3.427 4.325 . 0 0 "[ . 1 . 2]" 1
190 1 23 GLN QG 1 40 VAL HB . . 5.080 3.255 1.938 4.355 . 0 0 "[ . 1 . 2]" 1
191 1 23 GLN QG 1 40 VAL MG1 . . 4.150 2.257 1.775 3.342 . 0 0 "[ . 1 . 2]" 1
192 1 23 GLN QG 1 40 VAL QG . . 3.530 2.058 1.769 2.739 . 0 0 "[ . 1 . 2]" 1
193 1 23 GLN QG 1 40 VAL MG2 . . 4.150 3.383 1.976 4.006 . 0 0 "[ . 1 . 2]" 1
194 1 24 LYS H 1 24 LYS HA . . 2.830 2.291 2.275 2.324 . 0 0 "[ . 1 . 2]" 1
195 1 24 LYS H 1 24 LYS HB2 . . 3.750 3.616 3.439 3.731 . 0 0 "[ . 1 . 2]" 1
196 1 24 LYS H 1 24 LYS HB3 . . 4.150 3.920 3.735 4.041 . 0 0 "[ . 1 . 2]" 1
197 1 24 LYS H 1 24 LYS QE . . 5.280 4.752 4.376 5.266 . 0 0 "[ . 1 . 2]" 1
198 1 24 LYS H 1 24 LYS QG . . 3.480 2.518 2.218 2.757 . 0 0 "[ . 1 . 2]" 1
199 1 24 LYS H 1 25 VAL H . . 3.210 2.856 2.591 3.098 . 0 0 "[ . 1 . 2]" 1
200 1 24 LYS H 1 25 VAL MG2 . . 4.360 4.008 3.684 4.325 . 0 0 "[ . 1 . 2]" 1
201 1 24 LYS H 1 40 VAL QG . . 4.570 3.955 3.531 4.561 . 0 0 "[ . 1 . 2]" 1
202 1 24 LYS HA 1 24 LYS QD . . 4.220 3.938 2.689 4.375 0.155 14 0 "[ . 1 . 2]" 1
203 1 24 LYS HA 1 24 LYS QG . . 3.360 2.587 2.474 2.794 . 0 0 "[ . 1 . 2]" 1
204 1 24 LYS HA 1 25 VAL H . . 2.980 2.839 2.669 2.982 0.002 11 0 "[ . 1 . 2]" 1
205 1 24 LYS HA 1 25 VAL MG2 . . 4.980 4.566 4.274 4.709 . 0 0 "[ . 1 . 2]" 1
206 1 24 LYS HA 1 26 MET H . . 5.500 5.422 5.324 5.516 0.016 10 0 "[ . 1 . 2]" 1
207 1 24 LYS HA 1 26 MET ME . . 4.390 3.706 2.954 4.379 . 0 0 "[ . 1 . 2]" 1
208 1 24 LYS HA 1 26 MET QG . . 4.350 4.016 3.778 4.177 . 0 0 "[ . 1 . 2]" 1
209 1 24 LYS HA 1 40 VAL H . . 5.500 5.325 4.897 5.541 0.041 8 0 "[ . 1 . 2]" 1
210 1 24 LYS HA 1 40 VAL QG . . 5.160 4.329 3.908 4.995 . 0 0 "[ . 1 . 2]" 1
211 1 24 LYS HB2 1 25 VAL H . . 4.400 4.162 4.012 4.297 . 0 0 "[ . 1 . 2]" 1
212 1 24 LYS HB2 1 40 VAL H . . 4.250 3.095 2.220 3.836 . 0 0 "[ . 1 . 2]" 1
213 1 24 LYS HB2 1 40 VAL HB . . 4.210 2.810 1.990 4.307 0.097 10 0 "[ . 1 . 2]" 1
214 1 24 LYS HB2 1 40 VAL MG1 . . 4.530 3.174 2.127 4.533 0.003 9 0 "[ . 1 . 2]" 1
215 1 24 LYS HB2 1 40 VAL QG . . 3.070 2.240 1.773 3.072 0.002 16 0 "[ . 1 . 2]" 1
216 1 24 LYS HB2 1 40 VAL MG2 . . 4.530 3.003 1.775 4.038 . 0 0 "[ . 1 . 2]" 1
217 1 24 LYS HB3 1 24 LYS QE . . 4.120 3.378 1.979 4.152 0.032 20 0 "[ . 1 . 2]" 1
218 1 24 LYS QD 1 40 VAL MG1 . . 4.190 3.268 2.069 4.256 0.066 8 0 "[ . 1 . 2]" 1
219 1 24 LYS QD 1 40 VAL QG . . 3.340 2.527 1.725 3.485 0.145 11 0 "[ . 1 . 2]" 1
220 1 24 LYS QD 1 40 VAL MG2 . . 4.190 2.756 1.737 4.164 . 0 0 "[ . 1 . 2]" 1
221 1 24 LYS QE 1 24 LYS QG . . 2.950 2.189 2.029 2.753 . 0 0 "[ . 1 . 2]" 1
222 1 24 LYS QE 1 40 VAL H . . 5.500 4.978 4.013 5.576 0.076 11 0 "[ . 1 . 2]" 1
223 1 24 LYS QE 1 40 VAL MG1 . . 4.100 2.774 2.031 4.168 0.068 10 0 "[ . 1 . 2]" 1
224 1 24 LYS QE 1 40 VAL QG . . 3.440 2.194 1.683 3.068 . 0 0 "[ . 1 . 2]" 1
225 1 24 LYS QE 1 40 VAL MG2 . . 4.100 2.381 1.769 3.241 . 0 0 "[ . 1 . 2]" 1
226 1 24 LYS QG 1 25 VAL H . . 4.490 4.433 4.365 4.514 0.024 4 0 "[ . 1 . 2]" 1
227 1 24 LYS QG 1 40 VAL H . . 4.790 4.398 3.628 4.828 0.038 15 0 "[ . 1 . 2]" 1
228 1 24 LYS QG 1 40 VAL MG1 . . 4.120 2.935 1.821 4.165 0.045 10 0 "[ . 1 . 2]" 1
229 1 24 LYS QG 1 40 VAL QG . . 3.200 2.346 1.793 3.212 0.012 13 0 "[ . 1 . 2]" 1
230 1 24 LYS QG 1 40 VAL MG2 . . 4.120 3.235 1.900 4.034 . 0 0 "[ . 1 . 2]" 1
231 1 25 VAL H 1 25 VAL HB . . 2.900 2.538 2.441 2.627 . 0 0 "[ . 1 . 2]" 1
232 1 25 VAL H 1 25 VAL MG2 . . 2.750 2.225 1.897 2.436 . 0 0 "[ . 1 . 2]" 1
233 1 25 VAL H 1 26 MET H . . 4.520 4.388 4.354 4.427 . 0 0 "[ . 1 . 2]" 1
234 1 25 VAL H 1 39 TRP HA . . 4.700 4.458 4.183 4.707 0.007 10 0 "[ . 1 . 2]" 1
235 1 25 VAL H 1 96 VAL MG1 . . 5.420 5.068 4.869 5.326 . 0 0 "[ . 1 . 2]" 1
236 1 25 VAL HB 1 96 VAL MG1 . . 4.620 3.737 3.438 4.142 . 0 0 "[ . 1 . 2]" 1
237 1 25 VAL HB 1 108 SER HB2 . . 4.410 3.825 2.745 4.338 . 0 0 "[ . 1 . 2]" 1
238 1 25 VAL HB 1 109 SER H . . 4.270 4.148 3.704 4.271 0.001 1 0 "[ . 1 . 2]" 1
239 1 25 VAL MG1 1 26 MET H . . 3.100 2.973 2.779 3.103 0.003 7 0 "[ . 1 . 2]" 1
240 1 25 VAL MG1 1 38 SER H . . 4.170 3.770 3.204 4.172 0.002 17 0 "[ . 1 . 2]" 1
241 1 25 VAL MG1 1 39 TRP HZ3 . . 5.000 4.548 4.048 5.006 0.006 10 0 "[ . 1 . 2]" 1
242 1 25 VAL MG1 1 96 VAL H . . 3.990 3.559 3.295 3.841 . 0 0 "[ . 1 . 2]" 1
243 1 25 VAL MG1 1 96 VAL HB . . 4.170 3.846 3.643 4.174 0.004 11 0 "[ . 1 . 2]" 1
244 1 25 VAL MG1 1 96 VAL MG1 . . 2.960 1.841 1.714 1.938 . 0 0 "[ . 1 . 2]" 1
245 1 25 VAL MG1 1 96 VAL MG2 . . 4.110 3.787 3.452 4.002 . 0 0 "[ . 1 . 2]" 1
246 1 25 VAL MG1 1 108 SER HG . . 4.930 3.099 2.548 3.669 . 0 0 "[ . 1 . 2]" 1
247 1 25 VAL MG2 1 39 TRP HA . . 3.990 3.284 2.925 3.838 . 0 0 "[ . 1 . 2]" 1
248 1 25 VAL MG2 1 39 TRP HB2 . . 4.380 2.795 2.347 3.405 . 0 0 "[ . 1 . 2]" 1
249 1 25 VAL MG2 1 39 TRP HB3 . . 3.680 2.162 1.896 2.565 . 0 0 "[ . 1 . 2]" 1
250 1 25 VAL MG2 1 39 TRP HD1 . . 5.500 4.729 4.316 5.165 . 0 0 "[ . 1 . 2]" 1
251 1 25 VAL MG2 1 96 VAL H . . 4.480 4.004 3.732 4.271 . 0 0 "[ . 1 . 2]" 1
252 1 25 VAL MG2 1 96 VAL MG1 . . 3.320 2.037 1.875 2.499 . 0 0 "[ . 1 . 2]" 1
253 1 25 VAL MG2 1 96 VAL MG2 . . 4.340 3.604 3.361 3.863 . 0 0 "[ . 1 . 2]" 1
254 1 25 VAL MG2 1 108 SER H . . 4.890 4.741 4.515 4.894 0.004 17 0 "[ . 1 . 2]" 1
255 1 25 VAL MG2 1 108 SER HA . . 4.430 4.336 4.044 4.433 0.003 10 0 "[ . 1 . 2]" 1
256 1 25 VAL MG2 1 108 SER HB2 . . 3.800 2.214 1.958 2.419 . 0 0 "[ . 1 . 2]" 1
257 1 25 VAL MG2 1 108 SER HB3 . . 4.030 2.972 2.534 3.341 . 0 0 "[ . 1 . 2]" 1
258 1 25 VAL MG2 1 108 SER HG . . 5.120 2.548 1.905 3.278 . 0 0 "[ . 1 . 2]" 1
259 1 25 VAL MG2 1 109 SER H . . 4.140 3.477 3.142 3.952 . 0 0 "[ . 1 . 2]" 1
260 1 26 MET H 1 26 MET HB2 . . 4.140 2.492 2.409 2.611 . 0 0 "[ . 1 . 2]" 1
261 1 26 MET H 1 26 MET HB3 . . 3.990 3.686 3.627 3.746 . 0 0 "[ . 1 . 2]" 1
262 1 26 MET H 1 26 MET QG . . 3.990 2.940 2.705 3.147 . 0 0 "[ . 1 . 2]" 1
263 1 26 MET H 1 27 CYS H . . 4.450 4.305 4.175 4.426 . 0 0 "[ . 1 . 2]" 1
264 1 26 MET H 1 37 VAL MG2 . . 4.340 3.944 3.574 4.184 . 0 0 "[ . 1 . 2]" 1
265 1 26 MET H 1 38 SER H . . 3.610 3.514 3.331 3.613 0.003 7 0 "[ . 1 . 2]" 1
266 1 26 MET H 1 38 SER QB . . 5.340 4.627 3.970 4.947 . 0 0 "[ . 1 . 2]" 1
267 1 26 MET H 1 39 TRP HA . . 3.680 3.177 3.029 3.352 . 0 0 "[ . 1 . 2]" 1
268 1 26 MET H 1 39 TRP HB2 . . 5.500 5.425 5.249 5.509 0.009 11 0 "[ . 1 . 2]" 1
269 1 26 MET H 1 39 TRP HB3 . . 4.790 4.403 4.195 4.620 . 0 0 "[ . 1 . 2]" 1
270 1 26 MET H 1 111 VAL MG2 . . 4.630 4.299 4.023 4.431 . 0 0 "[ . 1 . 2]" 1
271 1 26 MET HB2 1 27 CYS H . . 4.560 4.358 4.192 4.460 . 0 0 "[ . 1 . 2]" 1
272 1 26 MET HB2 1 38 SER H . . 4.490 4.232 3.966 4.448 . 0 0 "[ . 1 . 2]" 1
273 1 26 MET HB3 1 27 CYS H . . 3.760 3.494 3.243 3.616 . 0 0 "[ . 1 . 2]" 1
274 1 26 MET HB3 1 27 CYS HA . . 4.860 4.662 4.550 4.770 . 0 0 "[ . 1 . 2]" 1
275 1 26 MET HB3 1 38 SER H . . 5.300 5.033 4.822 5.143 . 0 0 "[ . 1 . 2]" 1
276 1 26 MET HB3 1 111 VAL MG1 . . 4.910 4.674 4.218 4.911 0.001 3 0 "[ . 1 . 2]" 1
277 1 26 MET ME 1 26 MET QG . . 3.470 2.095 1.964 2.349 . 0 0 "[ . 1 . 2]" 1
278 1 27 CYS H 1 27 CYS HB2 . . 3.410 2.589 2.525 2.681 . 0 0 "[ . 1 . 2]" 1
279 1 27 CYS H 1 27 CYS HB3 . . 3.790 3.715 3.687 3.757 . 0 0 "[ . 1 . 2]" 1
280 1 27 CYS H 1 28 VAL H . . 4.580 4.504 4.429 4.543 . 0 0 "[ . 1 . 2]" 1
281 1 27 CYS H 1 28 VAL HA . . 5.300 5.136 5.022 5.205 . 0 0 "[ . 1 . 2]" 1
282 1 27 CYS H 1 37 VAL HA . . 5.130 4.701 4.575 4.917 . 0 0 "[ . 1 . 2]" 1
283 1 27 CYS H 1 37 VAL MG2 . . 4.610 4.421 4.215 4.579 . 0 0 "[ . 1 . 2]" 1
284 1 27 CYS H 1 38 SER H . . 5.200 4.833 4.615 5.052 . 0 0 "[ . 1 . 2]" 1
285 1 27 CYS H 1 111 VAL MG1 . . 3.180 2.177 1.955 2.372 . 0 0 "[ . 1 . 2]" 1
286 1 27 CYS H 1 111 VAL MG2 . . 4.570 2.419 2.086 2.733 . 0 0 "[ . 1 . 2]" 1
287 1 27 CYS H 1 113 VAL MG1 . . 4.050 3.881 3.667 4.021 . 0 0 "[ . 1 . 2]" 1
288 1 27 CYS HA 1 28 VAL H . . 2.690 2.226 2.167 2.307 . 0 0 "[ . 1 . 2]" 1
289 1 27 CYS HA 1 28 VAL HA . . 4.630 4.440 4.408 4.465 . 0 0 "[ . 1 . 2]" 1
290 1 27 CYS HA 1 28 VAL QG . . 3.820 3.208 3.157 3.310 . 0 0 "[ . 1 . 2]" 1
291 1 27 CYS HA 1 35 VAL MG1 . . 4.110 4.016 3.785 4.114 0.004 2 0 "[ . 1 . 2]" 1
292 1 27 CYS HA 1 36 ARG H . . 5.390 5.027 4.875 5.237 . 0 0 "[ . 1 . 2]" 1
293 1 27 CYS HA 1 37 VAL HA . . 3.680 2.046 1.979 2.200 . 0 0 "[ . 1 . 2]" 1
294 1 27 CYS HA 1 37 VAL MG1 . . 4.680 4.585 4.449 4.679 . 0 0 "[ . 1 . 2]" 1
295 1 27 CYS HA 1 37 VAL MG2 . . 3.890 3.298 3.118 3.495 . 0 0 "[ . 1 . 2]" 1
296 1 27 CYS HA 1 38 SER H . . 3.600 3.136 2.872 3.355 . 0 0 "[ . 1 . 2]" 1
297 1 27 CYS HA 1 113 VAL MG1 . . 4.170 4.015 3.816 4.161 . 0 0 "[ . 1 . 2]" 1
298 1 27 CYS HB2 1 28 VAL H . . 4.200 3.934 3.754 4.081 . 0 0 "[ . 1 . 2]" 1
299 1 27 CYS HB2 1 28 VAL HA . . 4.740 4.606 4.524 4.722 . 0 0 "[ . 1 . 2]" 1
300 1 27 CYS HB2 1 35 VAL MG1 . . 4.300 4.109 3.699 4.271 . 0 0 "[ . 1 . 2]" 1
301 1 27 CYS HB2 1 37 VAL MG2 . . 4.510 4.396 4.262 4.466 . 0 0 "[ . 1 . 2]" 1
302 1 27 CYS HB2 1 111 VAL HB . . 3.610 2.159 2.001 2.361 . 0 0 "[ . 1 . 2]" 1
303 1 27 CYS HB2 1 111 VAL MG1 . . 3.430 2.106 1.914 2.261 . 0 0 "[ . 1 . 2]" 1
304 1 27 CYS HB2 1 111 VAL MG2 . . 4.110 3.355 3.164 3.511 . 0 0 "[ . 1 . 2]" 1
305 1 27 CYS HB2 1 113 VAL MG1 . . 3.230 2.197 1.961 2.440 . 0 0 "[ . 1 . 2]" 1
306 1 27 CYS HB3 1 28 VAL H . . 3.620 2.944 2.682 3.192 . 0 0 "[ . 1 . 2]" 1
307 1 27 CYS HB3 1 28 VAL HA . . 4.770 4.483 4.410 4.607 . 0 0 "[ . 1 . 2]" 1
308 1 27 CYS HB3 1 35 VAL MG1 . . 3.410 2.857 2.488 2.978 . 0 0 "[ . 1 . 2]" 1
309 1 27 CYS HB3 1 37 VAL H . . 5.500 5.255 5.071 5.495 . 0 0 "[ . 1 . 2]" 1
310 1 27 CYS HB3 1 37 VAL HA . . 4.800 3.514 3.272 3.759 . 0 0 "[ . 1 . 2]" 1
311 1 27 CYS HB3 1 37 VAL MG2 . . 3.920 3.882 3.728 3.923 0.003 15 0 "[ . 1 . 2]" 1
312 1 27 CYS HB3 1 38 SER H . . 5.500 5.185 4.894 5.457 . 0 0 "[ . 1 . 2]" 1
313 1 27 CYS HB3 1 111 VAL HB . . 3.750 3.592 3.479 3.717 . 0 0 "[ . 1 . 2]" 1
314 1 27 CYS HB3 1 111 VAL MG1 . . 3.810 3.603 3.361 3.782 . 0 0 "[ . 1 . 2]" 1
315 1 27 CYS HB3 1 113 VAL MG1 . . 3.200 2.629 2.325 2.919 . 0 0 "[ . 1 . 2]" 1
316 1 27 CYS HB3 1 113 VAL MG2 . . 3.440 3.317 3.047 3.442 0.002 19 0 "[ . 1 . 2]" 1
317 1 28 VAL H 1 28 VAL HB . . 3.980 3.836 3.551 3.918 . 0 0 "[ . 1 . 2]" 1
318 1 28 VAL H 1 28 VAL QG . . 3.160 2.062 1.881 2.246 . 0 0 "[ . 1 . 2]" 1
319 1 28 VAL H 1 29 SER H . . 4.540 4.283 4.144 4.418 . 0 0 "[ . 1 . 2]" 1
320 1 28 VAL H 1 35 VAL MG1 . . 3.630 3.027 2.468 3.254 . 0 0 "[ . 1 . 2]" 1
321 1 28 VAL H 1 35 VAL MG2 . . 5.500 5.269 4.883 5.487 . 0 0 "[ . 1 . 2]" 1
322 1 28 VAL H 1 36 ARG H . . 3.430 3.244 3.070 3.385 . 0 0 "[ . 1 . 2]" 1
323 1 28 VAL H 1 36 ARG QB . . 4.180 3.760 3.433 4.097 . 0 0 "[ . 1 . 2]" 1
324 1 28 VAL H 1 37 VAL H . . 5.320 4.750 4.602 4.854 . 0 0 "[ . 1 . 2]" 1
325 1 28 VAL H 1 37 VAL HA . . 3.580 3.223 3.027 3.342 . 0 0 "[ . 1 . 2]" 1
326 1 28 VAL H 1 37 VAL MG1 . . 5.320 5.149 4.942 5.239 . 0 0 "[ . 1 . 2]" 1
327 1 28 VAL H 1 37 VAL MG2 . . 5.280 4.913 4.752 5.078 . 0 0 "[ . 1 . 2]" 1
328 1 28 VAL H 1 38 SER H . . 4.920 4.758 4.543 4.899 . 0 0 "[ . 1 . 2]" 1
329 1 28 VAL H 1 113 VAL MG1 . . 3.790 3.540 3.329 3.788 . 0 0 "[ . 1 . 2]" 1
330 1 28 VAL H 1 113 VAL MG2 . . 4.860 4.624 4.282 4.860 0.000 11 0 "[ . 1 . 2]" 1
331 1 28 VAL HA 1 29 SER H . . 2.500 2.185 2.143 2.325 . 0 0 "[ . 1 . 2]" 1
332 1 28 VAL HA 1 29 SER QB . . 5.000 4.288 4.066 4.463 . 0 0 "[ . 1 . 2]" 1
333 1 28 VAL HA 1 113 VAL MG1 . . 3.250 2.410 2.007 2.677 . 0 0 "[ . 1 . 2]" 1
334 1 28 VAL HB 1 29 SER H . . 3.490 3.142 2.903 3.576 0.086 20 0 "[ . 1 . 2]" 1
335 1 28 VAL HB 1 36 ARG H . . 5.500 5.038 4.646 5.566 0.066 20 0 "[ . 1 . 2]" 1
336 1 28 VAL HB 1 113 VAL MG1 . . 4.930 4.632 4.020 4.834 . 0 0 "[ . 1 . 2]" 1
337 1 28 VAL QG 1 29 SER H . . 3.600 3.360 1.902 3.542 . 0 0 "[ . 1 . 2]" 1
338 1 28 VAL QG 1 30 MET ME . . 3.130 2.589 2.093 3.284 0.154 15 0 "[ . 1 . 2]" 1
339 1 28 VAL QG 1 30 MET QG . . 4.080 3.420 2.665 3.895 . 0 0 "[ . 1 . 2]" 1
340 1 28 VAL QG 1 36 ARG H . . 3.520 3.186 2.312 3.472 . 0 0 "[ . 1 . 2]" 1
341 1 28 VAL QG 1 36 ARG HA . . 4.850 4.372 3.706 4.586 . 0 0 "[ . 1 . 2]" 1
342 1 28 VAL QG 1 37 VAL H . . 4.810 4.787 4.427 4.836 0.026 14 0 "[ . 1 . 2]" 1
343 1 28 VAL QG 1 37 VAL HA . . 5.060 3.824 3.650 3.945 . 0 0 "[ . 1 . 2]" 1
344 1 29 SER H 1 29 SER QB . . 2.770 2.452 2.147 2.653 . 0 0 "[ . 1 . 2]" 1
345 1 29 SER H 1 30 MET H . . 4.610 4.400 4.211 4.529 . 0 0 "[ . 1 . 2]" 1
346 1 29 SER H 1 35 VAL MG1 . . 4.390 3.903 3.619 4.242 . 0 0 "[ . 1 . 2]" 1
347 1 29 SER H 1 35 VAL MG2 . . 4.670 4.553 4.092 4.698 0.028 20 0 "[ . 1 . 2]" 1
348 1 29 SER H 1 113 VAL HB . . 4.860 3.202 2.833 3.625 . 0 0 "[ . 1 . 2]" 1
349 1 29 SER H 1 113 VAL MG1 . . 3.430 3.110 2.841 3.437 0.007 20 0 "[ . 1 . 2]" 1
350 1 29 SER HA 1 30 MET H . . 3.110 2.153 2.139 2.183 . 0 0 "[ . 1 . 2]" 1
351 1 29 SER HA 1 30 MET ME . . 5.500 5.070 4.364 5.470 . 0 0 "[ . 1 . 2]" 1
352 1 29 SER HA 1 35 VAL MG1 . . 3.580 2.564 2.226 2.865 . 0 0 "[ . 1 . 2]" 1
353 1 29 SER HA 1 35 VAL MG2 . . 3.520 2.470 1.977 2.619 . 0 0 "[ . 1 . 2]" 1
354 1 29 SER HA 1 36 ARG H . . 4.610 3.286 3.069 3.655 . 0 0 "[ . 1 . 2]" 1
355 1 29 SER QB 1 30 MET H . . 3.780 3.516 3.263 3.789 0.009 14 0 "[ . 1 . 2]" 1
356 1 29 SER QB 1 34 THR H . . 5.500 5.174 4.856 5.501 0.001 14 0 "[ . 1 . 2]" 1
357 1 29 SER QB 1 35 VAL HA . . 5.490 4.090 3.898 4.314 . 0 0 "[ . 1 . 2]" 1
358 1 29 SER QB 1 35 VAL MG1 . . 4.600 3.818 3.413 4.306 . 0 0 "[ . 1 . 2]" 1
359 1 29 SER QB 1 35 VAL MG2 . . 4.130 3.089 2.605 3.709 . 0 0 "[ . 1 . 2]" 1
360 1 29 SER QB 1 36 ARG H . . 5.210 5.070 4.886 5.304 0.094 15 0 "[ . 1 . 2]" 1
361 1 29 SER QB 1 113 VAL HB . . 4.270 2.774 2.287 3.424 . 0 0 "[ . 1 . 2]" 1
362 1 29 SER QB 1 113 VAL MG1 . . 4.040 3.885 3.463 4.045 0.005 19 0 "[ . 1 . 2]" 1
363 1 29 SER QB 1 115 THR HA . . 3.570 2.219 1.978 2.632 . 0 0 "[ . 1 . 2]" 1
364 1 29 SER QB 1 115 THR MG . . 4.260 2.779 2.419 3.461 . 0 0 "[ . 1 . 2]" 1
365 1 29 SER QB 1 116 ASP H . . 4.430 3.360 3.064 3.991 . 0 0 "[ . 1 . 2]" 1
366 1 30 MET H 1 30 MET HB2 . . 3.870 2.253 2.177 2.389 . 0 0 "[ . 1 . 2]" 1
367 1 30 MET H 1 30 MET HB3 . . 3.670 3.527 3.480 3.580 . 0 0 "[ . 1 . 2]" 1
368 1 30 MET H 1 30 MET ME . . 4.690 3.886 3.405 4.222 . 0 0 "[ . 1 . 2]" 1
369 1 30 MET H 1 30 MET HG2 . . 4.160 2.849 2.469 3.629 . 0 0 "[ . 1 . 2]" 1
370 1 30 MET H 1 30 MET QG . . 3.550 2.711 2.416 3.019 . 0 0 "[ . 1 . 2]" 1
371 1 30 MET H 1 30 MET HG3 . . 4.160 3.637 2.485 3.989 . 0 0 "[ . 1 . 2]" 1
372 1 30 MET H 1 31 GLY H . . 2.760 2.652 2.410 2.777 0.017 15 0 "[ . 1 . 2]" 1
373 1 30 MET H 1 34 THR H . . 5.160 4.836 4.525 5.057 . 0 0 "[ . 1 . 2]" 1
374 1 30 MET H 1 34 THR HB . . 4.620 4.487 4.186 4.621 0.001 11 0 "[ . 1 . 2]" 1
375 1 30 MET H 1 34 THR MG . . 4.000 3.784 3.556 3.944 . 0 0 "[ . 1 . 2]" 1
376 1 30 MET H 1 35 VAL HA . . 3.240 1.942 1.897 2.045 . 0 0 "[ . 1 . 2]" 1
377 1 30 MET H 1 35 VAL MG1 . . 4.140 3.548 3.469 3.687 . 0 0 "[ . 1 . 2]" 1
378 1 30 MET H 1 35 VAL MG2 . . 3.990 3.483 3.143 3.707 . 0 0 "[ . 1 . 2]" 1
379 1 30 MET H 1 36 ARG H . . 3.690 2.966 2.749 3.254 . 0 0 "[ . 1 . 2]" 1
380 1 30 MET H 1 113 VAL MG2 . . 5.500 5.464 5.360 5.505 0.005 15 0 "[ . 1 . 2]" 1
381 1 30 MET H 1 115 THR MG . . 4.980 4.721 4.509 4.984 0.004 15 0 "[ . 1 . 2]" 1
382 1 30 MET HB2 1 31 GLY H . . 3.810 2.725 2.444 2.996 . 0 0 "[ . 1 . 2]" 1
383 1 30 MET HB2 1 34 THR HB . . 4.460 2.864 2.337 3.274 . 0 0 "[ . 1 . 2]" 1
384 1 30 MET HB2 1 34 THR MG . . 3.380 2.106 1.947 2.376 . 0 0 "[ . 1 . 2]" 1
385 1 30 MET HB2 1 36 ARG H . . 4.580 4.103 3.808 4.573 . 0 0 "[ . 1 . 2]" 1
386 1 30 MET HB3 1 31 GLY H . . 3.960 3.348 2.971 3.582 . 0 0 "[ . 1 . 2]" 1
387 1 30 MET HB3 1 34 THR H . . 5.500 5.442 5.248 5.540 0.040 15 0 "[ . 1 . 2]" 1
388 1 30 MET HB3 1 34 THR HB . . 3.850 3.444 3.142 3.712 . 0 0 "[ . 1 . 2]" 1
389 1 30 MET HB3 1 34 THR MG . . 3.840 2.750 2.402 2.999 . 0 0 "[ . 1 . 2]" 1
390 1 30 MET HB3 1 35 VAL HA . . 5.010 4.798 4.643 4.961 . 0 0 "[ . 1 . 2]" 1
391 1 30 MET ME 1 30 MET QG . . 3.140 2.058 1.974 2.206 . 0 0 "[ . 1 . 2]" 1
392 1 30 MET ME 1 35 VAL HA . . 5.500 4.912 3.140 5.409 . 0 0 "[ . 1 . 2]" 1
393 1 30 MET ME 1 36 ARG H . . 4.830 4.027 2.472 4.597 . 0 0 "[ . 1 . 2]" 1
394 1 30 MET ME 1 36 ARG HD2 . . 4.620 2.856 1.915 4.536 . 0 0 "[ . 1 . 2]" 1
395 1 30 MET ME 1 36 ARG QD . . 3.930 2.459 1.904 3.807 . 0 0 "[ . 1 . 2]" 1
396 1 30 MET ME 1 36 ARG HD3 . . 4.620 3.439 1.961 4.685 0.065 15 0 "[ . 1 . 2]" 1
397 1 30 MET ME 1 36 ARG HE . . 4.580 3.130 2.108 4.212 . 0 0 "[ . 1 . 2]" 1
398 1 30 MET QG 1 31 GLY H . . 4.900 4.276 4.038 4.423 . 0 0 "[ . 1 . 2]" 1
399 1 30 MET QG 1 34 THR MG . . 3.560 2.559 2.173 3.048 . 0 0 "[ . 1 . 2]" 1
400 1 30 MET QG 1 36 ARG H . . 3.660 2.900 2.532 3.243 . 0 0 "[ . 1 . 2]" 1
401 1 30 MET QG 1 36 ARG HA . . 4.650 3.624 3.348 4.233 . 0 0 "[ . 1 . 2]" 1
402 1 30 MET QG 1 36 ARG QD . . 4.300 3.388 2.715 4.252 . 0 0 "[ . 1 . 2]" 1
403 1 30 MET QG 1 36 ARG HE . . 4.880 3.490 2.725 4.854 . 0 0 "[ . 1 . 2]" 1
404 1 30 MET HG2 1 36 ARG H . . 4.300 3.071 2.585 4.349 0.049 15 0 "[ . 1 . 2]" 1
405 1 30 MET HG3 1 36 ARG H . . 4.300 3.889 2.718 4.303 0.003 17 0 "[ . 1 . 2]" 1
406 1 31 GLY H 1 31 GLY HA3 . . 2.910 2.636 2.532 2.716 . 0 0 "[ . 1 . 2]" 1
407 1 31 GLY H 1 32 SER H . . 4.170 3.590 3.454 3.699 . 0 0 "[ . 1 . 2]" 1
408 1 31 GLY H 1 32 SER HA . . 4.930 4.641 4.564 4.749 . 0 0 "[ . 1 . 2]" 1
409 1 31 GLY H 1 33 THR H . . 4.750 4.476 4.206 4.618 . 0 0 "[ . 1 . 2]" 1
410 1 31 GLY H 1 34 THR H . . 4.230 3.220 3.083 3.349 . 0 0 "[ . 1 . 2]" 1
411 1 31 GLY H 1 34 THR HB . . 4.100 3.288 3.016 3.585 . 0 0 "[ . 1 . 2]" 1
412 1 31 GLY H 1 34 THR MG . . 4.070 3.945 3.629 4.076 0.006 20 0 "[ . 1 . 2]" 1
413 1 31 GLY H 1 35 VAL MG1 . . 5.500 5.472 5.258 5.534 0.034 20 0 "[ . 1 . 2]" 1
414 1 31 GLY H 1 35 VAL MG2 . . 4.710 4.286 3.986 4.416 . 0 0 "[ . 1 . 2]" 1
415 1 31 GLY H 1 115 THR MG . . 4.750 4.149 3.905 4.326 . 0 0 "[ . 1 . 2]" 1
416 1 31 GLY H 1 116 ASP H . . 5.270 4.731 4.513 5.174 . 0 0 "[ . 1 . 2]" 1
417 1 31 GLY HA2 1 32 SER H . . 3.320 3.315 3.275 3.363 0.043 16 0 "[ . 1 . 2]" 1
418 1 31 GLY HA2 1 33 THR H . . 5.430 5.131 4.965 5.244 . 0 0 "[ . 1 . 2]" 1
419 1 31 GLY HA2 1 34 THR H . . 5.500 5.114 5.063 5.165 . 0 0 "[ . 1 . 2]" 1
420 1 31 GLY HA2 1 116 ASP H . . 5.000 4.397 4.287 4.689 . 0 0 "[ . 1 . 2]" 1
421 1 31 GLY HA3 1 32 SER H . . 3.210 2.143 2.136 2.157 . 0 0 "[ . 1 . 2]" 1
422 1 31 GLY HA3 1 33 THR H . . 4.590 3.779 3.605 3.903 . 0 0 "[ . 1 . 2]" 1
423 1 32 SER H 1 32 SER HB2 . . 3.970 3.500 2.661 3.808 . 0 0 "[ . 1 . 2]" 1
424 1 32 SER H 1 32 SER QB . . 3.360 2.860 2.610 3.117 . 0 0 "[ . 1 . 2]" 1
425 1 32 SER H 1 32 SER HB3 . . 3.970 3.231 2.770 3.791 . 0 0 "[ . 1 . 2]" 1
426 1 32 SER H 1 33 THR H . . 3.520 1.944 1.794 2.045 . 0 0 "[ . 1 . 2]" 1
427 1 32 SER H 1 33 THR MG . . 4.740 4.107 3.769 4.425 . 0 0 "[ . 1 . 2]" 1
428 1 32 SER H 1 34 THR H . . 4.160 3.032 2.921 3.147 . 0 0 "[ . 1 . 2]" 1
429 1 32 SER H 1 34 THR MG . . 5.500 5.506 5.462 5.537 0.037 15 0 "[ . 1 . 2]" 1
430 1 32 SER H 1 115 THR MG . . 5.210 4.460 4.125 4.907 . 0 0 "[ . 1 . 2]" 1
431 1 32 SER H 1 116 ASP H . . 4.890 4.549 4.414 4.794 . 0 0 "[ . 1 . 2]" 1
432 1 32 SER H 1 116 ASP HB2 . . 4.440 4.070 3.875 4.451 0.011 3 0 "[ . 1 . 2]" 1
433 1 32 SER H 1 116 ASP HB3 . . 5.500 5.253 4.451 5.511 0.011 16 0 "[ . 1 . 2]" 1
434 1 32 SER HA 1 34 THR H . . 4.190 4.178 4.141 4.219 0.029 20 0 "[ . 1 . 2]" 1
435 1 32 SER HA 1 116 ASP H . . 3.240 2.316 2.084 2.709 . 0 0 "[ . 1 . 2]" 1
436 1 32 SER HA 1 116 ASP HB2 . . 3.980 2.759 2.372 3.285 . 0 0 "[ . 1 . 2]" 1
437 1 32 SER QB 1 33 THR MG . . 3.920 3.028 2.311 3.444 . 0 0 "[ . 1 . 2]" 1
438 1 32 SER QB 1 88 LYS H . . 5.340 5.117 4.600 5.342 0.002 14 0 "[ . 1 . 2]" 1
439 1 32 SER QB 1 88 LYS QG . . 4.320 2.238 1.899 2.638 . 0 0 "[ . 1 . 2]" 1
440 1 32 SER QB 1 89 TRP H . . 4.390 3.828 3.495 4.221 . 0 0 "[ . 1 . 2]" 1
441 1 32 SER QB 1 116 ASP H . . 4.620 3.827 3.476 4.164 . 0 0 "[ . 1 . 2]" 1
442 1 33 THR H 1 33 THR MG . . 3.820 2.803 2.478 3.027 . 0 0 "[ . 1 . 2]" 1
443 1 33 THR H 1 34 THR H . . 2.970 2.208 1.994 2.324 . 0 0 "[ . 1 . 2]" 1
444 1 33 THR H 1 34 THR HB . . 4.450 4.009 3.859 4.133 . 0 0 "[ . 1 . 2]" 1
445 1 33 THR H 1 34 THR MG . . 5.420 5.254 5.161 5.301 . 0 0 "[ . 1 . 2]" 1
446 1 33 THR HA 1 33 THR MG . . 3.290 2.356 2.206 2.513 . 0 0 "[ . 1 . 2]" 1
447 1 33 THR HA 1 86 LEU H . . 3.700 2.988 2.605 3.240 . 0 0 "[ . 1 . 2]" 1
448 1 33 THR HA 1 86 LEU HB2 . . 4.630 2.703 2.341 2.993 . 0 0 "[ . 1 . 2]" 1
449 1 33 THR HA 1 86 LEU HB3 . . 4.810 4.350 4.025 4.663 . 0 0 "[ . 1 . 2]" 1
450 1 33 THR HB 1 85 GLY H . . 3.860 3.015 2.609 3.206 . 0 0 "[ . 1 . 2]" 1
451 1 33 THR HB 1 86 LEU H . . 3.210 2.249 1.905 2.608 . 0 0 "[ . 1 . 2]" 1
452 1 33 THR MG 1 34 THR H . . 4.720 4.228 4.114 4.328 . 0 0 "[ . 1 . 2]" 1
453 1 33 THR MG 1 85 GLY H . . 4.740 4.565 4.224 4.738 . 0 0 "[ . 1 . 2]" 1
454 1 33 THR MG 1 86 LEU H . . 3.840 3.554 3.267 3.815 . 0 0 "[ . 1 . 2]" 1
455 1 33 THR MG 1 87 GLU H . . 5.500 4.905 4.517 5.255 . 0 0 "[ . 1 . 2]" 1
456 1 33 THR MG 1 87 GLU HA . . 4.610 3.641 3.229 3.993 . 0 0 "[ . 1 . 2]" 1
457 1 33 THR MG 1 88 LYS H . . 4.200 3.984 3.649 4.201 0.001 15 0 "[ . 1 . 2]" 1
458 1 33 THR MG 1 88 LYS QD . . 4.230 3.507 2.787 4.092 . 0 0 "[ . 1 . 2]" 1
459 1 33 THR MG 1 88 LYS QE . . 3.170 2.556 1.907 3.170 0.000 20 0 "[ . 1 . 2]" 1
460 1 33 THR MG 1 88 LYS HG2 . . 4.090 2.489 2.045 3.089 . 0 0 "[ . 1 . 2]" 1
461 1 33 THR MG 1 88 LYS QG . . 3.370 2.178 1.933 2.610 . 0 0 "[ . 1 . 2]" 1
462 1 33 THR MG 1 88 LYS HG3 . . 4.090 2.536 1.967 3.201 . 0 0 "[ . 1 . 2]" 1
463 1 34 THR H 1 34 THR HB . . 3.430 2.734 2.647 2.803 . 0 0 "[ . 1 . 2]" 1
464 1 34 THR H 1 34 THR MG . . 3.940 3.870 3.817 3.918 . 0 0 "[ . 1 . 2]" 1
465 1 34 THR H 1 35 VAL H . . 4.440 4.364 4.334 4.401 . 0 0 "[ . 1 . 2]" 1
466 1 34 THR H 1 35 VAL MG2 . . 4.870 3.805 3.687 3.966 . 0 0 "[ . 1 . 2]" 1
467 1 34 THR H 1 86 LEU MD1 . . 4.470 4.198 3.804 4.472 0.002 10 0 "[ . 1 . 2]" 1
468 1 34 THR H 1 115 THR MG . . 3.670 3.238 2.938 3.482 . 0 0 "[ . 1 . 2]" 1
469 1 34 THR HA 1 34 THR MG . . 3.340 2.394 2.332 2.458 . 0 0 "[ . 1 . 2]" 1
470 1 34 THR HA 1 35 VAL H . . 2.880 2.204 2.186 2.228 . 0 0 "[ . 1 . 2]" 1
471 1 34 THR HA 1 35 VAL HA . . 4.790 4.419 4.411 4.436 . 0 0 "[ . 1 . 2]" 1
472 1 34 THR HA 1 35 VAL HB . . 4.570 4.532 4.500 4.589 0.019 16 0 "[ . 1 . 2]" 1
473 1 34 THR HA 1 35 VAL MG2 . . 4.480 3.515 3.442 3.618 . 0 0 "[ . 1 . 2]" 1
474 1 34 THR HA 1 83 LEU H . . 5.090 4.963 4.645 5.090 . 0 0 "[ . 1 . 2]" 1
475 1 34 THR HA 1 83 LEU HB2 . . 4.800 4.044 3.741 4.287 . 0 0 "[ . 1 . 2]" 1
476 1 34 THR HA 1 84 VAL MG1 . . 4.220 3.401 3.001 3.615 . 0 0 "[ . 1 . 2]" 1
477 1 34 THR HA 1 85 GLY H . . 4.440 3.694 3.490 4.076 . 0 0 "[ . 1 . 2]" 1
478 1 34 THR HA 1 86 LEU H . . 4.880 4.586 4.360 4.779 . 0 0 "[ . 1 . 2]" 1
479 1 34 THR HA 1 86 LEU MD1 . . 4.100 3.202 2.801 3.635 . 0 0 "[ . 1 . 2]" 1
480 1 34 THR HA 1 115 THR MG . . 5.360 4.750 4.587 4.999 . 0 0 "[ . 1 . 2]" 1
481 1 34 THR HB 1 35 VAL H . . 4.090 4.062 3.990 4.102 0.012 17 0 "[ . 1 . 2]" 1
482 1 34 THR MG 1 35 VAL H . . 3.310 2.023 1.913 2.156 . 0 0 "[ . 1 . 2]" 1
483 1 34 THR MG 1 35 VAL MG2 . . 4.610 4.066 3.971 4.159 . 0 0 "[ . 1 . 2]" 1
484 1 34 THR MG 1 82 ASP H . . 5.500 5.504 5.465 5.544 0.044 16 0 "[ . 1 . 2]" 1
485 1 34 THR MG 1 82 ASP HA . . 4.200 3.685 3.602 3.770 . 0 0 "[ . 1 . 2]" 1
486 1 34 THR MG 1 82 ASP HB2 . . 4.530 3.286 2.789 4.028 . 0 0 "[ . 1 . 2]" 1
487 1 34 THR MG 1 82 ASP QB . . 3.820 2.728 2.592 2.818 . 0 0 "[ . 1 . 2]" 1
488 1 34 THR MG 1 82 ASP HB3 . . 4.530 3.316 2.634 3.856 . 0 0 "[ . 1 . 2]" 1
489 1 34 THR MG 1 83 LEU H . . 3.760 3.644 3.424 3.765 0.005 15 0 "[ . 1 . 2]" 1
490 1 35 VAL H 1 35 VAL HB . . 3.440 2.722 2.680 2.834 . 0 0 "[ . 1 . 2]" 1
491 1 35 VAL H 1 35 VAL MG1 . . 4.000 3.873 3.854 3.905 . 0 0 "[ . 1 . 2]" 1
492 1 35 VAL H 1 35 VAL MG2 . . 3.700 2.872 2.782 2.998 . 0 0 "[ . 1 . 2]" 1
493 1 35 VAL H 1 82 ASP HA . . 4.400 4.276 3.903 4.398 . 0 0 "[ . 1 . 2]" 1
494 1 35 VAL H 1 83 LEU H . . 3.650 3.141 2.932 3.249 . 0 0 "[ . 1 . 2]" 1
495 1 35 VAL H 1 83 LEU HB2 . . 3.690 2.641 2.462 2.847 . 0 0 "[ . 1 . 2]" 1
496 1 35 VAL H 1 83 LEU HB3 . . 4.640 4.085 3.903 4.249 . 0 0 "[ . 1 . 2]" 1
497 1 35 VAL H 1 83 LEU MD1 . . 4.410 4.102 3.802 4.332 . 0 0 "[ . 1 . 2]" 1
498 1 35 VAL H 1 86 LEU MD1 . . 3.630 3.125 2.639 3.451 . 0 0 "[ . 1 . 2]" 1
499 1 35 VAL H 1 115 THR MG . . 5.400 5.100 4.936 5.393 . 0 0 "[ . 1 . 2]" 1
500 1 35 VAL HA 1 35 VAL MG2 . . 3.690 2.408 2.294 2.452 . 0 0 "[ . 1 . 2]" 1
501 1 35 VAL HA 1 36 ARG H . . 2.860 2.248 2.197 2.279 . 0 0 "[ . 1 . 2]" 1
502 1 35 VAL HA 1 86 LEU MD1 . . 4.590 4.341 4.065 4.590 . 0 0 "[ . 1 . 2]" 1
503 1 35 VAL HB 1 36 ARG H . . 4.180 3.913 3.804 4.039 . 0 0 "[ . 1 . 2]" 1
504 1 35 VAL HB 1 37 VAL MG1 . . 4.830 4.580 4.421 4.760 . 0 0 "[ . 1 . 2]" 1
505 1 35 VAL HB 1 83 LEU HB2 . . 3.660 2.344 2.047 2.611 . 0 0 "[ . 1 . 2]" 1
506 1 35 VAL HB 1 83 LEU MD1 . . 3.880 2.278 1.979 2.635 . 0 0 "[ . 1 . 2]" 1
507 1 35 VAL HB 1 86 LEU MD1 . . 3.760 2.818 2.629 3.004 . 0 0 "[ . 1 . 2]" 1
508 1 35 VAL HB 1 113 VAL MG2 . . 4.470 4.174 3.880 4.346 . 0 0 "[ . 1 . 2]" 1
509 1 35 VAL MG1 1 36 ARG H . . 3.380 2.143 2.029 2.268 . 0 0 "[ . 1 . 2]" 1
510 1 35 VAL MG1 1 36 ARG HA . . 4.340 3.548 3.471 3.652 . 0 0 "[ . 1 . 2]" 1
511 1 35 VAL MG1 1 37 VAL H . . 4.540 3.665 3.486 3.907 . 0 0 "[ . 1 . 2]" 1
512 1 35 VAL MG1 1 37 VAL HB . . 4.020 3.384 3.244 3.489 . 0 0 "[ . 1 . 2]" 1
513 1 35 VAL MG1 1 83 LEU MD1 . . 3.380 2.943 2.562 3.343 . 0 0 "[ . 1 . 2]" 1
514 1 35 VAL MG1 1 86 LEU MD1 . . 3.870 3.726 3.572 3.872 0.002 16 0 "[ . 1 . 2]" 1
515 1 35 VAL MG2 1 36 ARG H . . 3.840 3.840 3.806 3.899 0.059 15 0 "[ . 1 . 2]" 1
516 1 35 VAL MG2 1 83 LEU H . . 4.830 4.824 4.785 4.841 0.011 20 0 "[ . 1 . 2]" 1
517 1 35 VAL MG2 1 83 LEU HB3 . . 4.710 4.591 4.340 4.717 0.007 16 0 "[ . 1 . 2]" 1
518 1 35 VAL MG2 1 83 LEU MD1 . . 3.410 3.234 2.959 3.416 0.006 15 0 "[ . 1 . 2]" 1
519 1 35 VAL MG2 1 86 LEU HB3 . . 4.470 4.377 4.114 4.479 0.009 17 0 "[ . 1 . 2]" 1
520 1 35 VAL MG2 1 86 LEU MD1 . . 3.040 1.944 1.799 2.064 . 0 0 "[ . 1 . 2]" 1
521 1 35 VAL MG2 1 86 LEU MD2 . . 4.200 3.977 3.781 4.154 . 0 0 "[ . 1 . 2]" 1
522 1 35 VAL MG2 1 86 LEU HG . . 4.910 4.094 3.903 4.340 . 0 0 "[ . 1 . 2]" 1
523 1 35 VAL MG2 1 92 TYR HB2 . . 4.470 3.562 3.434 3.867 . 0 0 "[ . 1 . 2]" 1
524 1 35 VAL MG2 1 113 VAL HB . . 4.530 3.932 3.724 4.145 . 0 0 "[ . 1 . 2]" 1
525 1 35 VAL MG2 1 113 VAL MG2 . . 2.850 2.508 2.357 2.660 . 0 0 "[ . 1 . 2]" 1
526 1 35 VAL MG2 1 115 THR MG . . 3.040 2.486 2.318 2.652 . 0 0 "[ . 1 . 2]" 1
527 1 36 ARG H 1 36 ARG QB . . 3.270 2.450 2.226 2.540 . 0 0 "[ . 1 . 2]" 1
528 1 36 ARG H 1 36 ARG QD . . 5.300 4.713 4.206 4.969 . 0 0 "[ . 1 . 2]" 1
529 1 36 ARG H 1 37 VAL H . . 4.320 4.180 4.106 4.287 . 0 0 "[ . 1 . 2]" 1
530 1 36 ARG H 1 37 VAL MG1 . . 5.100 4.945 4.808 5.119 0.019 15 0 "[ . 1 . 2]" 1
531 1 36 ARG H 1 113 VAL MG1 . . 5.500 5.149 4.930 5.368 . 0 0 "[ . 1 . 2]" 1
532 1 36 ARG H 1 113 VAL MG2 . . 5.500 4.940 4.765 5.279 . 0 0 "[ . 1 . 2]" 1
533 1 36 ARG HA 1 36 ARG HE . . 4.880 4.426 3.458 4.861 . 0 0 "[ . 1 . 2]" 1
534 1 36 ARG HA 1 37 VAL H . . 2.980 2.149 2.140 2.159 . 0 0 "[ . 1 . 2]" 1
535 1 36 ARG HA 1 82 ASP H . . 5.200 4.779 4.670 4.874 . 0 0 "[ . 1 . 2]" 1
536 1 36 ARG HA 1 82 ASP HA . . 3.930 2.323 2.133 2.450 . 0 0 "[ . 1 . 2]" 1
537 1 36 ARG HA 1 83 LEU H . . 3.860 3.431 3.258 3.729 . 0 0 "[ . 1 . 2]" 1
538 1 36 ARG QB 1 36 ARG HE . . 3.780 2.436 1.887 3.778 . 0 0 "[ . 1 . 2]" 1
539 1 36 ARG QB 1 37 VAL H . . 4.060 3.882 3.825 3.931 . 0 0 "[ . 1 . 2]" 1
540 1 36 ARG QB 1 81 TRP H . . 5.500 5.454 5.249 5.508 0.008 17 0 "[ . 1 . 2]" 1
541 1 36 ARG QD 1 80 SER QB . . 4.300 3.971 3.137 4.274 . 0 0 "[ . 1 . 2]" 1
542 1 36 ARG HE 1 36 ARG QG . . 3.530 2.632 2.237 3.284 . 0 0 "[ . 1 . 2]" 1
543 1 36 ARG QG 1 37 VAL H . . 3.790 3.131 2.921 3.348 . 0 0 "[ . 1 . 2]" 1
544 1 36 ARG QG 1 38 SER H . . 5.220 4.520 3.971 5.096 . 0 0 "[ . 1 . 2]" 1
545 1 36 ARG QG 1 80 SER QB . . 4.090 3.168 2.967 3.316 . 0 0 "[ . 1 . 2]" 1
546 1 36 ARG QG 1 81 TRP H . . 4.100 3.793 3.644 3.988 . 0 0 "[ . 1 . 2]" 1
547 1 37 VAL H 1 37 VAL HB . . 3.470 3.168 3.107 3.271 . 0 0 "[ . 1 . 2]" 1
548 1 37 VAL H 1 37 VAL MG1 . . 3.390 1.959 1.859 2.048 . 0 0 "[ . 1 . 2]" 1
549 1 37 VAL H 1 80 SER QB . . 4.980 4.260 3.928 4.468 . 0 0 "[ . 1 . 2]" 1
550 1 37 VAL H 1 81 TRP HB2 . . 5.430 5.307 5.197 5.429 . 0 0 "[ . 1 . 2]" 1
551 1 37 VAL H 1 81 TRP HB3 . . 5.270 3.995 3.901 4.128 . 0 0 "[ . 1 . 2]" 1
552 1 37 VAL H 1 81 TRP HD1 . . 5.500 5.171 5.025 5.446 . 0 0 "[ . 1 . 2]" 1
553 1 37 VAL H 1 82 ASP HA . . 3.810 3.576 3.392 3.765 . 0 0 "[ . 1 . 2]" 1
554 1 37 VAL H 1 83 LEU H . . 4.370 4.097 3.984 4.292 . 0 0 "[ . 1 . 2]" 1
555 1 37 VAL H 1 83 LEU MD2 . . 5.500 5.312 5.118 5.484 . 0 0 "[ . 1 . 2]" 1
556 1 37 VAL H 1 94 VAL MG1 . . 5.500 4.842 4.624 5.036 . 0 0 "[ . 1 . 2]" 1
557 1 37 VAL HA 1 37 VAL MG1 . . 3.400 3.183 3.173 3.191 . 0 0 "[ . 1 . 2]" 1
558 1 37 VAL HA 1 37 VAL MG2 . . 3.250 2.436 2.394 2.474 . 0 0 "[ . 1 . 2]" 1
559 1 37 VAL HA 1 38 SER H . . 2.670 2.167 2.143 2.192 . 0 0 "[ . 1 . 2]" 1
560 1 37 VAL HB 1 38 SER H . . 4.130 4.022 3.907 4.143 0.013 15 0 "[ . 1 . 2]" 1
561 1 37 VAL HB 1 56 VAL MG1 . . 4.520 4.306 4.113 4.490 . 0 0 "[ . 1 . 2]" 1
562 1 37 VAL HB 1 94 VAL MG1 . . 3.990 2.805 2.565 3.051 . 0 0 "[ . 1 . 2]" 1
563 1 37 VAL HB 1 96 VAL HB . . 5.500 5.339 5.137 5.474 . 0 0 "[ . 1 . 2]" 1
564 1 37 VAL HB 1 96 VAL MG1 . . 4.890 4.683 4.253 4.864 . 0 0 "[ . 1 . 2]" 1
565 1 37 VAL MG1 1 39 TRP HH2 . . 4.370 3.617 3.455 3.747 . 0 0 "[ . 1 . 2]" 1
566 1 37 VAL MG1 1 39 TRP HZ3 . . 4.240 2.142 1.964 2.280 . 0 0 "[ . 1 . 2]" 1
567 1 37 VAL MG1 1 81 TRP HD1 . . 4.610 3.701 3.296 3.962 . 0 0 "[ . 1 . 2]" 1
568 1 37 VAL MG1 1 82 ASP HA . . 4.730 4.136 3.775 4.342 . 0 0 "[ . 1 . 2]" 1
569 1 37 VAL MG1 1 83 LEU H . . 4.170 3.780 3.470 3.995 . 0 0 "[ . 1 . 2]" 1
570 1 37 VAL MG1 1 83 LEU MD1 . . 3.210 2.885 2.613 3.140 . 0 0 "[ . 1 . 2]" 1
571 1 37 VAL MG1 1 83 LEU HG . . 3.400 2.938 2.699 3.131 . 0 0 "[ . 1 . 2]" 1
572 1 37 VAL MG1 1 94 VAL MG1 . . 2.940 2.295 2.036 2.492 . 0 0 "[ . 1 . 2]" 1
573 1 37 VAL MG1 1 96 VAL MG1 . . 3.990 3.826 3.355 3.998 0.008 15 0 "[ . 1 . 2]" 1
574 1 37 VAL MG2 1 38 SER H . . 3.150 2.381 2.153 2.612 . 0 0 "[ . 1 . 2]" 1
575 1 37 VAL MG2 1 39 TRP HB3 . . 4.870 4.029 3.797 4.305 . 0 0 "[ . 1 . 2]" 1
576 1 37 VAL MG2 1 39 TRP HZ3 . . 3.320 2.126 1.992 2.347 . 0 0 "[ . 1 . 2]" 1
577 1 37 VAL MG2 1 80 SER QB . . 5.090 4.671 4.482 4.894 . 0 0 "[ . 1 . 2]" 1
578 1 37 VAL MG2 1 81 TRP H . . 4.360 4.089 3.943 4.221 . 0 0 "[ . 1 . 2]" 1
579 1 37 VAL MG2 1 81 TRP HB2 . . 5.480 5.324 5.178 5.477 . 0 0 "[ . 1 . 2]" 1
580 1 37 VAL MG2 1 81 TRP HB3 . . 5.420 4.558 4.217 4.701 . 0 0 "[ . 1 . 2]" 1
581 1 37 VAL MG2 1 83 LEU MD1 . . 4.810 4.534 4.303 4.784 . 0 0 "[ . 1 . 2]" 1
582 1 37 VAL MG2 1 94 VAL MG1 . . 2.890 2.438 2.100 2.650 . 0 0 "[ . 1 . 2]" 1
583 1 37 VAL MG2 1 96 VAL H . . 5.500 4.389 4.217 4.640 . 0 0 "[ . 1 . 2]" 1
584 1 37 VAL MG2 1 96 VAL MG1 . . 2.850 2.365 2.041 2.559 . 0 0 "[ . 1 . 2]" 1
585 1 37 VAL MG2 1 96 VAL MG2 . . 3.930 3.427 3.251 3.538 . 0 0 "[ . 1 . 2]" 1
586 1 37 VAL MG2 1 111 VAL HB . . 4.730 4.616 4.475 4.726 . 0 0 "[ . 1 . 2]" 1
587 1 38 SER H 1 38 SER HB2 . . 3.880 3.675 2.746 3.886 0.006 19 0 "[ . 1 . 2]" 1
588 1 38 SER H 1 38 SER HB3 . . 3.880 3.288 3.030 3.864 . 0 0 "[ . 1 . 2]" 1
589 1 38 SER H 1 39 TRP H . . 4.490 4.416 4.371 4.453 . 0 0 "[ . 1 . 2]" 1
590 1 38 SER H 1 39 TRP HZ3 . . 4.560 4.414 4.237 4.562 0.002 3 0 "[ . 1 . 2]" 1
591 1 38 SER H 1 96 VAL MG1 . . 5.190 5.102 4.800 5.194 0.004 20 0 "[ . 1 . 2]" 1
592 1 38 SER HA 1 39 TRP H . . 2.750 2.261 2.197 2.337 . 0 0 "[ . 1 . 2]" 1
593 1 38 SER HA 1 39 TRP HZ3 . . 4.850 3.202 2.968 3.511 . 0 0 "[ . 1 . 2]" 1
594 1 38 SER HA 1 80 SER H . . 4.750 4.555 4.448 4.751 0.001 8 0 "[ . 1 . 2]" 1
595 1 38 SER HA 1 80 SER QB . . 3.980 2.414 2.255 2.599 . 0 0 "[ . 1 . 2]" 1
596 1 38 SER HA 1 81 TRP H . . 3.880 3.752 3.635 3.879 . 0 0 "[ . 1 . 2]" 1
597 1 38 SER HA 1 96 VAL MG1 . . 5.400 5.102 4.740 5.309 . 0 0 "[ . 1 . 2]" 1
598 1 38 SER QB 1 39 TRP H . . 2.970 2.768 2.556 2.954 . 0 0 "[ . 1 . 2]" 1
599 1 38 SER QB 1 80 SER QB . . 3.950 2.115 1.839 2.719 . 0 0 "[ . 1 . 2]" 1
600 1 39 TRP H 1 39 TRP HB3 . . 4.010 3.395 3.330 3.460 . 0 0 "[ . 1 . 2]" 1
601 1 39 TRP H 1 39 TRP HH2 . . 5.500 5.472 5.368 5.517 0.017 10 0 "[ . 1 . 2]" 1
602 1 39 TRP H 1 39 TRP HZ3 . . 4.750 4.464 4.342 4.532 . 0 0 "[ . 1 . 2]" 1
603 1 39 TRP H 1 40 VAL H . . 4.630 4.445 4.412 4.474 . 0 0 "[ . 1 . 2]" 1
604 1 39 TRP H 1 80 SER HA . . 3.730 3.571 3.408 3.725 . 0 0 "[ . 1 . 2]" 1
605 1 39 TRP H 1 80 SER QB . . 3.620 3.615 3.578 3.638 0.018 16 0 "[ . 1 . 2]" 1
606 1 39 TRP HA 1 40 VAL H . . 2.940 2.387 2.319 2.496 . 0 0 "[ . 1 . 2]" 1
607 1 39 TRP HA 1 96 VAL MG1 . . 5.500 4.650 4.309 4.994 . 0 0 "[ . 1 . 2]" 1
608 1 39 TRP HB2 1 40 VAL H . . 3.370 2.490 2.245 2.660 . 0 0 "[ . 1 . 2]" 1
609 1 39 TRP HB2 1 40 VAL QG . . 4.950 3.694 3.096 4.545 . 0 0 "[ . 1 . 2]" 1
610 1 39 TRP HB2 1 96 VAL MG1 . . 4.740 3.977 3.484 4.657 . 0 0 "[ . 1 . 2]" 1
611 1 39 TRP HB2 1 96 VAL MG2 . . 5.130 4.383 3.984 4.827 . 0 0 "[ . 1 . 2]" 1
612 1 39 TRP HB3 1 39 TRP HZ3 . . 5.180 5.079 5.046 5.117 . 0 0 "[ . 1 . 2]" 1
613 1 39 TRP HB3 1 40 VAL H . . 3.720 3.631 3.450 3.739 0.019 15 0 "[ . 1 . 2]" 1
614 1 39 TRP HB3 1 96 VAL MG1 . . 4.750 2.769 2.306 3.307 . 0 0 "[ . 1 . 2]" 1
615 1 39 TRP HB3 1 96 VAL MG2 . . 4.590 3.631 3.412 3.920 . 0 0 "[ . 1 . 2]" 1
616 1 39 TRP HD1 1 40 VAL H . . 4.390 4.260 4.071 4.417 0.027 10 0 "[ . 1 . 2]" 1
617 1 39 TRP HD1 1 40 VAL QG . . 5.440 4.516 3.612 5.146 . 0 0 "[ . 1 . 2]" 1
618 1 39 TRP HE1 1 51 ILE MG . . 4.940 4.634 4.299 4.943 0.003 14 0 "[ . 1 . 2]" 1
619 1 39 TRP HE1 1 54 TYR HB2 . . 4.670 4.455 4.224 4.659 . 0 0 "[ . 1 . 2]" 1
620 1 39 TRP HE1 1 54 TYR HB3 . . 4.440 4.051 3.637 4.443 0.003 11 0 "[ . 1 . 2]" 1
621 1 39 TRP HE1 1 74 ILE MG . . 5.500 5.456 5.285 5.506 0.006 15 0 "[ . 1 . 2]" 1
622 1 39 TRP HE1 1 79 SER HA . . 3.500 2.350 2.103 2.934 . 0 0 "[ . 1 . 2]" 1
623 1 39 TRP HE1 1 79 SER HB2 . . 4.820 3.841 3.080 4.807 . 0 0 "[ . 1 . 2]" 1
624 1 39 TRP HE1 1 79 SER HB3 . . 4.820 4.131 3.522 4.824 0.004 8 0 "[ . 1 . 2]" 1
625 1 39 TRP HE1 1 96 VAL MG2 . . 4.880 3.851 3.554 4.280 . 0 0 "[ . 1 . 2]" 1
626 1 39 TRP HE1 1 98 ALA MB . . 4.940 4.605 4.293 4.890 . 0 0 "[ . 1 . 2]" 1
627 1 39 TRP HH2 1 56 VAL MG2 . . 3.540 2.765 2.502 3.150 . 0 0 "[ . 1 . 2]" 1
628 1 39 TRP HH2 1 74 ILE MD . . 4.180 3.839 3.666 4.114 . 0 0 "[ . 1 . 2]" 1
629 1 39 TRP HH2 1 74 ILE MG . . 3.900 3.788 3.529 3.899 . 0 0 "[ . 1 . 2]" 1
630 1 39 TRP HH2 1 80 SER H . . 4.250 3.855 3.649 4.150 . 0 0 "[ . 1 . 2]" 1
631 1 39 TRP HH2 1 81 TRP H . . 3.680 3.555 3.323 3.684 0.004 19 0 "[ . 1 . 2]" 1
632 1 39 TRP HH2 1 81 TRP HB2 . . 3.720 2.509 2.248 2.730 . 0 0 "[ . 1 . 2]" 1
633 1 39 TRP HH2 1 81 TRP HB3 . . 3.950 3.345 2.969 3.698 . 0 0 "[ . 1 . 2]" 1
634 1 39 TRP HH2 1 96 VAL MG1 . . 5.270 5.023 4.540 5.220 . 0 0 "[ . 1 . 2]" 1
635 1 39 TRP HH2 1 96 VAL MG2 . . 4.560 3.282 2.659 3.554 . 0 0 "[ . 1 . 2]" 1
636 1 39 TRP HZ2 1 54 TYR QD . . 3.930 3.452 3.280 3.748 . 0 0 "[ . 1 . 2]" 1
637 1 39 TRP HZ2 1 74 ILE MG . . 3.620 3.496 3.379 3.611 . 0 0 "[ . 1 . 2]" 1
638 1 39 TRP HZ2 1 78 HIS H . . 5.490 5.342 4.955 5.498 0.008 15 0 "[ . 1 . 2]" 1
639 1 39 TRP HZ2 1 78 HIS QB . . 5.220 4.270 3.937 4.467 . 0 0 "[ . 1 . 2]" 1
640 1 39 TRP HZ2 1 79 SER HA . . 4.540 2.850 2.483 3.352 . 0 0 "[ . 1 . 2]" 1
641 1 39 TRP HZ2 1 80 SER H . . 4.410 3.713 3.502 4.160 . 0 0 "[ . 1 . 2]" 1
642 1 39 TRP HZ3 1 81 TRP HB2 . . 4.850 3.912 3.706 4.213 . 0 0 "[ . 1 . 2]" 1
643 1 39 TRP HZ3 1 96 VAL MG1 . . 4.090 3.819 3.168 4.093 0.003 10 0 "[ . 1 . 2]" 1
644 1 39 TRP HZ3 1 96 VAL MG2 . . 4.880 3.245 2.743 3.522 . 0 0 "[ . 1 . 2]" 1
645 1 40 VAL H 1 40 VAL HB . . 3.370 2.575 2.288 2.827 . 0 0 "[ . 1 . 2]" 1
646 1 40 VAL H 1 40 VAL MG1 . . 4.010 2.789 1.886 3.783 . 0 0 "[ . 1 . 2]" 1
647 1 40 VAL H 1 40 VAL QG . . 3.130 2.170 1.831 2.767 . 0 0 "[ . 1 . 2]" 1
648 1 40 VAL H 1 40 VAL MG2 . . 4.010 3.155 1.835 3.805 . 0 0 "[ . 1 . 2]" 1
649 1 40 VAL H 1 41 PRO QD . . 5.050 4.241 4.102 4.335 . 0 0 "[ . 1 . 2]" 1
650 1 40 VAL HB 1 41 PRO HD2 . . 5.060 3.985 3.610 4.442 . 0 0 "[ . 1 . 2]" 1
651 1 40 VAL HB 1 41 PRO QD . . 4.410 3.805 3.477 4.185 . 0 0 "[ . 1 . 2]" 1
652 1 40 VAL HB 1 41 PRO HD3 . . 5.060 4.826 4.544 5.115 0.055 15 0 "[ . 1 . 2]" 1
653 1 40 VAL QG 1 41 PRO QD . . 3.150 1.979 1.789 2.329 . 0 0 "[ . 1 . 2]" 1
654 1 40 VAL QG 1 41 PRO QG . . 3.790 3.133 2.847 3.471 . 0 0 "[ . 1 . 2]" 1
655 1 44 ALA HA 1 47 ARG HB2 . . 4.700 3.519 2.139 4.705 0.005 8 0 "[ . 1 . 2]" 1
656 1 44 ALA HA 1 47 ARG QB . . 4.130 3.054 2.096 3.853 . 0 0 "[ . 1 . 2]" 1
657 1 44 ALA HA 1 47 ARG HB3 . . 4.700 3.847 2.232 4.700 . 0 0 "[ . 1 . 2]" 1
658 1 44 ALA HA 1 47 ARG QD . . 4.410 3.694 2.291 4.386 . 0 0 "[ . 1 . 2]" 1
659 1 44 ALA HA 1 47 ARG QG . . 5.030 3.824 1.994 5.034 0.004 14 0 "[ . 1 . 2]" 1
660 1 44 ALA MB 1 45 ASP H . . 4.390 2.754 2.150 3.699 . 0 0 "[ . 1 . 2]" 1
661 1 47 ARG QB 1 47 ARG QD . . 3.330 2.225 2.037 2.533 . 0 0 "[ . 1 . 2]" 1
662 1 47 ARG QB 1 49 GLY H . . 4.440 3.570 2.239 4.440 0.000 10 0 "[ . 1 . 2]" 1
663 1 47 ARG QD 1 51 ILE H . . 4.890 3.774 2.858 4.901 0.011 17 0 "[ . 1 . 2]" 1
664 1 47 ARG QD 1 51 ILE MD . . 4.040 3.700 2.435 4.041 0.001 2 0 "[ . 1 . 2]" 1
665 1 47 ARG QD 1 51 ILE QG . . 4.540 3.409 2.135 4.356 . 0 0 "[ . 1 . 2]" 1
666 1 48 ASN H 1 49 GLY H . . 3.960 2.539 1.824 3.229 . 0 0 "[ . 1 . 2]" 1
667 1 48 ASN QB 1 48 ASN QD . . 2.920 2.132 2.065 2.215 . 0 0 "[ . 1 . 2]" 1
668 1 49 GLY H 1 50 VAL H . . 4.310 4.207 3.853 4.347 0.037 9 0 "[ . 1 . 2]" 1
669 1 49 GLY H 1 100 THR MG . . 4.670 4.158 3.642 4.569 . 0 0 "[ . 1 . 2]" 1
670 1 49 GLY QA 1 50 VAL H . . 2.710 2.169 2.112 2.266 . 0 0 "[ . 1 . 2]" 1
671 1 49 GLY QA 1 100 THR MG . . 3.780 2.470 2.007 3.212 . 0 0 "[ . 1 . 2]" 1
672 1 49 GLY HA2 1 50 VAL H . . 3.190 2.509 2.142 3.164 . 0 0 "[ . 1 . 2]" 1
673 1 49 GLY HA3 1 50 VAL H . . 3.190 2.717 2.148 3.207 0.017 20 0 "[ . 1 . 2]" 1
674 1 50 VAL H 1 50 VAL HB . . 3.280 2.858 2.485 3.257 . 0 0 "[ . 1 . 2]" 1
675 1 50 VAL H 1 50 VAL MG1 . . 4.070 2.354 1.883 3.850 . 0 0 "[ . 1 . 2]" 1
676 1 50 VAL H 1 50 VAL QG . . 2.870 2.080 1.878 2.701 . 0 0 "[ . 1 . 2]" 1
677 1 50 VAL H 1 50 VAL MG2 . . 4.070 3.555 2.166 3.946 . 0 0 "[ . 1 . 2]" 1
678 1 50 VAL H 1 51 ILE H . . 4.340 4.262 4.082 4.361 0.021 8 0 "[ . 1 . 2]" 1
679 1 50 VAL H 1 51 ILE HA . . 5.410 5.064 4.680 5.432 0.022 3 0 "[ . 1 . 2]" 1
680 1 50 VAL H 1 100 THR HB . . 4.410 3.864 2.970 4.408 . 0 0 "[ . 1 . 2]" 1
681 1 50 VAL H 1 100 THR MG . . 4.220 2.526 1.971 3.255 . 0 0 "[ . 1 . 2]" 1
682 1 50 VAL H 1 101 ASP H . . 4.950 4.479 3.980 4.954 0.004 3 0 "[ . 1 . 2]" 1
683 1 50 VAL H 1 101 ASP QB . . 5.490 4.945 4.322 5.448 . 0 0 "[ . 1 . 2]" 1
684 1 50 VAL HA 1 50 VAL MG1 . . 3.330 3.032 2.327 3.202 . 0 0 "[ . 1 . 2]" 1
685 1 50 VAL HA 1 50 VAL MG2 . . 3.330 2.388 2.268 2.474 . 0 0 "[ . 1 . 2]" 1
686 1 50 VAL HA 1 51 ILE H . . 2.980 2.160 2.140 2.215 . 0 0 "[ . 1 . 2]" 1
687 1 50 VAL HA 1 51 ILE HB . . 4.970 4.766 4.672 4.895 . 0 0 "[ . 1 . 2]" 1
688 1 50 VAL HA 1 51 ILE MD . . 4.410 3.888 3.551 4.328 . 0 0 "[ . 1 . 2]" 1
689 1 50 VAL HA 1 51 ILE QG . . 4.350 3.703 3.590 3.916 . 0 0 "[ . 1 . 2]" 1
690 1 50 VAL HA 1 51 ILE MG . . 5.500 5.464 5.422 5.486 . 0 0 "[ . 1 . 2]" 1
691 1 50 VAL HB 1 51 ILE H . . 4.430 4.361 4.135 4.450 0.020 17 0 "[ . 1 . 2]" 1
692 1 50 VAL QG 1 51 ILE H . . 3.390 2.893 2.391 3.145 . 0 0 "[ . 1 . 2]" 1
693 1 50 VAL QG 1 52 THR HA . . 4.240 3.748 3.188 4.032 . 0 0 "[ . 1 . 2]" 1
694 1 50 VAL QG 1 76 ARG QD . . 4.180 3.913 3.309 4.185 0.005 2 0 "[ . 1 . 2]" 1
695 1 50 VAL MG1 1 51 ILE H . . 4.200 3.865 2.409 4.237 0.037 3 0 "[ . 1 . 2]" 1
696 1 50 VAL MG2 1 51 ILE H . . 4.200 3.224 2.712 4.180 . 0 0 "[ . 1 . 2]" 1
697 1 51 ILE H 1 51 ILE HB . . 3.180 2.709 2.566 2.846 . 0 0 "[ . 1 . 2]" 1
698 1 51 ILE H 1 51 ILE MD . . 4.040 2.675 2.157 3.160 . 0 0 "[ . 1 . 2]" 1
699 1 51 ILE H 1 51 ILE HG12 . . 3.920 1.966 1.897 2.149 . 0 0 "[ . 1 . 2]" 1
700 1 51 ILE H 1 51 ILE HG13 . . 3.920 3.514 3.424 3.649 . 0 0 "[ . 1 . 2]" 1
701 1 51 ILE H 1 51 ILE MG . . 3.940 3.756 3.717 3.778 . 0 0 "[ . 1 . 2]" 1
702 1 51 ILE H 1 100 THR MG . . 4.790 3.677 3.235 4.298 . 0 0 "[ . 1 . 2]" 1
703 1 51 ILE HA 1 51 ILE MD . . 3.620 2.064 1.966 2.296 . 0 0 "[ . 1 . 2]" 1
704 1 51 ILE HA 1 51 ILE MG . . 3.290 2.197 2.103 2.319 . 0 0 "[ . 1 . 2]" 1
705 1 51 ILE HA 1 52 THR H . . 3.150 2.158 2.138 2.242 . 0 0 "[ . 1 . 2]" 1
706 1 51 ILE HA 1 53 GLN H . . 4.070 3.679 3.505 3.926 . 0 0 "[ . 1 . 2]" 1
707 1 51 ILE HA 1 100 THR H . . 5.500 5.031 4.611 5.392 . 0 0 "[ . 1 . 2]" 1
708 1 51 ILE HA 1 100 THR HA . . 4.230 2.977 2.440 3.448 . 0 0 "[ . 1 . 2]" 1
709 1 51 ILE HA 1 100 THR MG . . 3.480 2.451 1.976 2.988 . 0 0 "[ . 1 . 2]" 1
710 1 51 ILE HB 1 51 ILE MD . . 3.350 3.212 3.194 3.226 . 0 0 "[ . 1 . 2]" 1
711 1 51 ILE HB 1 52 THR H . . 4.500 4.145 3.911 4.412 . 0 0 "[ . 1 . 2]" 1
712 1 51 ILE HB 1 52 THR HA . . 5.500 4.794 4.611 5.071 . 0 0 "[ . 1 . 2]" 1
713 1 51 ILE HB 1 54 TYR QE . . 4.840 3.808 3.153 4.310 . 0 0 "[ . 1 . 2]" 1
714 1 51 ILE MD 1 51 ILE MG . . 2.950 2.170 1.982 2.302 . 0 0 "[ . 1 . 2]" 1
715 1 51 ILE MD 1 52 THR H . . 4.400 3.778 3.515 4.018 . 0 0 "[ . 1 . 2]" 1
716 1 51 ILE MD 1 54 TYR QE . . 4.180 3.950 3.422 4.152 . 0 0 "[ . 1 . 2]" 1
717 1 51 ILE MD 1 98 ALA MB . . 3.220 2.051 1.744 2.660 . 0 0 "[ . 1 . 2]" 1
718 1 51 ILE MD 1 100 THR MG . . 3.560 2.422 2.015 2.951 . 0 0 "[ . 1 . 2]" 1
719 1 51 ILE QG 1 52 THR H . . 5.340 4.785 4.588 4.917 . 0 0 "[ . 1 . 2]" 1
720 1 51 ILE QG 1 100 THR MG . . 4.260 3.991 3.650 4.216 . 0 0 "[ . 1 . 2]" 1
721 1 51 ILE MG 1 52 THR H . . 3.620 2.729 2.119 3.346 . 0 0 "[ . 1 . 2]" 1
722 1 51 ILE MG 1 53 GLN H . . 3.180 2.605 2.260 3.182 0.002 14 0 "[ . 1 . 2]" 1
723 1 51 ILE MG 1 54 TYR QE . . 4.000 2.480 1.995 2.846 . 0 0 "[ . 1 . 2]" 1
724 1 51 ILE MG 1 76 ARG HA . . 4.280 3.325 2.968 3.816 . 0 0 "[ . 1 . 2]" 1
725 1 51 ILE MG 1 76 ARG QB . . 4.410 2.574 2.006 2.974 . 0 0 "[ . 1 . 2]" 1
726 1 51 ILE MG 1 76 ARG QD . . 4.380 4.006 3.380 4.373 . 0 0 "[ . 1 . 2]" 1
727 1 51 ILE MG 1 98 ALA MB . . 3.290 2.423 1.929 3.106 . 0 0 "[ . 1 . 2]" 1
728 1 51 ILE MG 1 99 HIS H . . 4.300 2.988 2.189 3.688 . 0 0 "[ . 1 . 2]" 1
729 1 51 ILE MG 1 100 THR MG . . 4.020 3.765 3.351 3.993 . 0 0 "[ . 1 . 2]" 1
730 1 52 THR H 1 52 THR MG . . 3.660 2.395 1.871 3.738 0.078 17 0 "[ . 1 . 2]" 1
731 1 52 THR H 1 53 GLN H . . 2.920 2.162 1.882 2.674 . 0 0 "[ . 1 . 2]" 1
732 1 52 THR H 1 53 GLN QG . . 5.340 4.051 3.746 4.448 . 0 0 "[ . 1 . 2]" 1
733 1 52 THR H 1 99 HIS H . . 4.970 4.320 4.024 4.970 0.000 17 0 "[ . 1 . 2]" 1
734 1 52 THR H 1 99 HIS HB2 . . 4.870 4.462 4.066 4.869 . 0 0 "[ . 1 . 2]" 1
735 1 52 THR H 1 100 THR H . . 4.920 4.673 4.372 4.923 0.003 10 0 "[ . 1 . 2]" 1
736 1 52 THR H 1 100 THR HA . . 3.510 2.546 2.099 2.798 . 0 0 "[ . 1 . 2]" 1
737 1 52 THR H 1 100 THR HB . . 5.400 5.081 4.534 5.393 . 0 0 "[ . 1 . 2]" 1
738 1 52 THR H 1 100 THR MG . . 4.240 3.438 2.772 4.096 . 0 0 "[ . 1 . 2]" 1
739 1 52 THR H 1 101 ASP H . . 4.600 4.082 3.602 4.560 . 0 0 "[ . 1 . 2]" 1
740 1 52 THR HA 1 52 THR MG . . 3.200 2.870 2.156 3.195 . 0 0 "[ . 1 . 2]" 1
741 1 52 THR HA 1 76 ARG HB2 . . 4.360 4.063 3.703 4.373 0.013 17 0 "[ . 1 . 2]" 1
742 1 52 THR HA 1 76 ARG QB . . 3.750 3.285 2.973 3.623 . 0 0 "[ . 1 . 2]" 1
743 1 52 THR HA 1 76 ARG HB3 . . 4.360 3.474 3.091 3.878 . 0 0 "[ . 1 . 2]" 1
744 1 52 THR HA 1 76 ARG QD . . 3.740 2.438 1.998 2.861 . 0 0 "[ . 1 . 2]" 1
745 1 52 THR HA 1 76 ARG QG . . 5.340 4.424 4.095 4.902 . 0 0 "[ . 1 . 2]" 1
746 1 52 THR HB 1 53 GLN H . . 4.210 3.819 2.553 4.182 . 0 0 "[ . 1 . 2]" 1
747 1 52 THR HB 1 76 ARG QD . . 4.970 4.590 4.113 4.974 0.004 7 0 "[ . 1 . 2]" 1
748 1 52 THR HB 1 101 ASP H . . 4.810 3.730 2.742 4.808 . 0 0 "[ . 1 . 2]" 1
749 1 52 THR MG 1 53 GLN H . . 3.830 2.793 1.905 3.852 0.022 7 0 "[ . 1 . 2]" 1
750 1 52 THR MG 1 53 GLN QG . . 3.990 2.681 1.816 3.993 0.003 19 0 "[ . 1 . 2]" 1
751 1 52 THR MG 1 76 ARG QD . . 5.160 4.449 3.528 5.089 . 0 0 "[ . 1 . 2]" 1
752 1 52 THR MG 1 101 ASP H . . 4.070 2.998 1.917 4.044 . 0 0 "[ . 1 . 2]" 1
753 1 52 THR MG 1 101 ASP HA . . 4.130 2.711 2.007 3.295 . 0 0 "[ . 1 . 2]" 1
754 1 52 THR MG 1 101 ASP QB . . 3.650 3.191 1.961 3.647 . 0 0 "[ . 1 . 2]" 1
755 1 53 GLN H 1 53 GLN HG2 . . 3.990 3.016 2.553 3.993 0.003 1 0 "[ . 1 . 2]" 1
756 1 53 GLN H 1 53 GLN QG . . 3.460 2.670 2.418 2.874 . 0 0 "[ . 1 . 2]" 1
757 1 53 GLN H 1 53 GLN HG3 . . 3.990 3.297 2.440 3.778 . 0 0 "[ . 1 . 2]" 1
758 1 53 GLN H 1 54 TYR H . . 4.500 4.328 4.240 4.382 . 0 0 "[ . 1 . 2]" 1
759 1 53 GLN H 1 98 ALA MB . . 5.130 4.937 4.617 5.124 . 0 0 "[ . 1 . 2]" 1
760 1 53 GLN H 1 99 HIS H . . 3.950 3.430 3.213 3.776 . 0 0 "[ . 1 . 2]" 1
761 1 53 GLN H 1 99 HIS HB2 . . 3.850 3.235 2.853 3.546 . 0 0 "[ . 1 . 2]" 1
762 1 53 GLN H 1 99 HIS HB3 . . 4.510 4.141 3.603 4.490 . 0 0 "[ . 1 . 2]" 1
763 1 53 GLN H 1 100 THR HA . . 4.470 4.270 3.921 4.486 0.016 16 0 "[ . 1 . 2]" 1
764 1 53 GLN QB 1 53 GLN QE . . 3.850 2.357 1.935 2.910 . 0 0 "[ . 1 . 2]" 1
765 1 53 GLN QB 1 54 TYR H . . 3.550 2.495 2.162 2.747 . 0 0 "[ . 1 . 2]" 1
766 1 53 GLN QB 1 74 ILE H . . 4.010 3.692 3.468 3.982 . 0 0 "[ . 1 . 2]" 1
767 1 53 GLN HB2 1 53 GLN HE22 . . 4.940 3.721 3.359 4.068 . 0 0 "[ . 1 . 2]" 1
768 1 53 GLN HB3 1 53 GLN HE22 . . 4.940 4.161 3.473 4.938 . 0 0 "[ . 1 . 2]" 1
769 1 53 GLN QE 1 73 GLY HA2 . . 4.980 4.498 3.942 4.982 0.002 19 0 "[ . 1 . 2]" 1
770 1 53 GLN HE21 1 73 GLY H . . 4.900 4.176 3.569 4.902 0.002 16 0 "[ . 1 . 2]" 1
771 1 53 GLN HE22 1 73 GLY H . . 4.900 4.172 3.430 4.899 . 0 0 "[ . 1 . 2]" 1
772 1 53 GLN QG 1 54 TYR H . . 4.490 3.690 3.246 4.339 . 0 0 "[ . 1 . 2]" 1
773 1 53 GLN QG 1 99 HIS HB2 . . 4.420 2.113 1.859 3.408 . 0 0 "[ . 1 . 2]" 1
774 1 53 GLN QG 1 100 THR H . . 5.340 5.234 4.998 5.374 0.034 16 0 "[ . 1 . 2]" 1
775 1 54 TYR H 1 54 TYR HB2 . . 3.820 2.462 2.400 2.545 . 0 0 "[ . 1 . 2]" 1
776 1 54 TYR H 1 54 TYR HB3 . . 4.200 3.647 3.614 3.692 . 0 0 "[ . 1 . 2]" 1
777 1 54 TYR H 1 54 TYR QD . . 3.970 3.307 3.005 3.693 . 0 0 "[ . 1 . 2]" 1
778 1 54 TYR H 1 55 SER H . . 4.880 4.437 4.292 4.502 . 0 0 "[ . 1 . 2]" 1
779 1 54 TYR H 1 74 ILE H . . 4.550 4.253 4.005 4.551 0.001 17 0 "[ . 1 . 2]" 1
780 1 54 TYR H 1 74 ILE HA . . 5.410 5.278 5.082 5.397 . 0 0 "[ . 1 . 2]" 1
781 1 54 TYR H 1 74 ILE HB . . 3.610 2.913 2.706 3.073 . 0 0 "[ . 1 . 2]" 1
782 1 54 TYR H 1 74 ILE MD . . 4.380 4.333 4.227 4.387 0.007 3 0 "[ . 1 . 2]" 1
783 1 54 TYR H 1 74 ILE MG . . 4.170 3.107 2.669 3.538 . 0 0 "[ . 1 . 2]" 1
784 1 54 TYR H 1 76 ARG H . . 4.890 4.821 4.692 4.894 0.004 16 0 "[ . 1 . 2]" 1
785 1 54 TYR H 1 76 ARG HA . . 4.920 3.562 3.341 3.766 . 0 0 "[ . 1 . 2]" 1
786 1 54 TYR HA 1 54 TYR QD . . 4.500 2.742 2.418 2.911 . 0 0 "[ . 1 . 2]" 1
787 1 54 TYR HA 1 55 SER H . . 3.180 2.201 2.140 2.228 . 0 0 "[ . 1 . 2]" 1
788 1 54 TYR HA 1 97 ARG H . . 4.980 4.935 4.690 5.009 0.029 16 0 "[ . 1 . 2]" 1
789 1 54 TYR HA 1 98 ALA MB . . 4.610 4.207 4.024 4.356 . 0 0 "[ . 1 . 2]" 1
790 1 54 TYR HA 1 99 HIS H . . 4.490 3.020 2.693 3.323 . 0 0 "[ . 1 . 2]" 1
791 1 54 TYR HB2 1 55 SER H . . 4.420 4.203 4.125 4.394 . 0 0 "[ . 1 . 2]" 1
792 1 54 TYR HB2 1 74 ILE HB . . 4.390 3.352 3.055 3.658 . 0 0 "[ . 1 . 2]" 1
793 1 54 TYR HB2 1 74 ILE MD . . 4.100 3.600 3.466 3.787 . 0 0 "[ . 1 . 2]" 1
794 1 54 TYR HB2 1 74 ILE MG . . 3.800 2.188 1.978 2.379 . 0 0 "[ . 1 . 2]" 1
795 1 54 TYR HB2 1 78 HIS H . . 5.500 4.975 4.676 5.387 . 0 0 "[ . 1 . 2]" 1
796 1 54 TYR HB2 1 96 VAL MG2 . . 4.790 4.591 4.289 4.791 0.001 3 0 "[ . 1 . 2]" 1
797 1 54 TYR HB3 1 55 SER H . . 3.570 3.070 2.944 3.448 . 0 0 "[ . 1 . 2]" 1
798 1 54 TYR HB3 1 74 ILE HB . . 4.910 4.249 3.792 4.562 . 0 0 "[ . 1 . 2]" 1
799 1 54 TYR HB3 1 74 ILE MD . . 4.220 3.552 3.289 3.784 . 0 0 "[ . 1 . 2]" 1
800 1 54 TYR HB3 1 74 ILE MG . . 4.100 3.226 2.903 3.422 . 0 0 "[ . 1 . 2]" 1
801 1 54 TYR HB3 1 96 VAL MG2 . . 3.960 3.186 2.911 3.347 . 0 0 "[ . 1 . 2]" 1
802 1 54 TYR QD 1 55 SER H . . 3.920 3.435 3.078 3.816 . 0 0 "[ . 1 . 2]" 1
803 1 54 TYR QD 1 74 ILE MG . . 3.700 3.518 3.208 3.671 . 0 0 "[ . 1 . 2]" 1
804 1 54 TYR QD 1 76 ARG H . . 5.250 4.725 4.612 4.911 . 0 0 "[ . 1 . 2]" 1
805 1 54 TYR QD 1 76 ARG HA . . 3.720 2.084 1.998 2.276 . 0 0 "[ . 1 . 2]" 1
806 1 54 TYR QD 1 77 GLU H . . 5.500 4.900 4.705 5.126 . 0 0 "[ . 1 . 2]" 1
807 1 54 TYR QD 1 78 HIS H . . 4.290 3.665 3.376 4.121 . 0 0 "[ . 1 . 2]" 1
808 1 54 TYR QD 1 96 VAL MG2 . . 3.690 2.907 2.679 3.151 . 0 0 "[ . 1 . 2]" 1
809 1 54 TYR QD 1 97 ARG H . . 4.990 4.215 3.975 4.560 . 0 0 "[ . 1 . 2]" 1
810 1 54 TYR QD 1 98 ALA MB . . 3.920 3.200 3.017 3.413 . 0 0 "[ . 1 . 2]" 1
811 1 54 TYR QD 1 99 HIS H . . 5.450 4.285 4.064 4.554 . 0 0 "[ . 1 . 2]" 1
812 1 54 TYR QE 1 74 ILE MG . . 5.450 5.349 5.125 5.452 0.002 2 0 "[ . 1 . 2]" 1
813 1 54 TYR QE 1 76 ARG HA . . 4.450 3.250 2.989 3.454 . 0 0 "[ . 1 . 2]" 1
814 1 54 TYR QE 1 76 ARG HB2 . . 5.030 3.614 3.328 3.838 . 0 0 "[ . 1 . 2]" 1
815 1 54 TYR QE 1 76 ARG QB . . 4.320 3.515 3.254 3.722 . 0 0 "[ . 1 . 2]" 1
816 1 54 TYR QE 1 76 ARG HB3 . . 5.030 4.807 4.598 5.031 0.001 12 0 "[ . 1 . 2]" 1
817 1 54 TYR QE 1 77 GLU H . . 5.500 5.385 5.141 5.501 0.001 6 0 "[ . 1 . 2]" 1
818 1 54 TYR QE 1 78 HIS H . . 4.720 4.361 3.996 4.719 . 0 0 "[ . 1 . 2]" 1
819 1 54 TYR QE 1 98 ALA MB . . 3.340 2.047 1.930 2.376 . 0 0 "[ . 1 . 2]" 1
820 1 55 SER H 1 56 VAL MG2 . . 4.420 3.997 3.831 4.159 . 0 0 "[ . 1 . 2]" 1
821 1 55 SER H 1 96 VAL MG2 . . 4.260 3.645 3.363 3.932 . 0 0 "[ . 1 . 2]" 1
822 1 55 SER H 1 97 ARG H . . 3.650 3.234 3.007 3.467 . 0 0 "[ . 1 . 2]" 1
823 1 55 SER H 1 97 ARG HG2 . . 4.500 3.469 2.943 3.870 . 0 0 "[ . 1 . 2]" 1
824 1 55 SER H 1 97 ARG HG3 . . 4.190 3.913 3.588 4.132 . 0 0 "[ . 1 . 2]" 1
825 1 55 SER H 1 98 ALA MB . . 5.160 5.082 4.828 5.164 0.004 17 0 "[ . 1 . 2]" 1
826 1 55 SER H 1 99 HIS H . . 4.710 4.275 3.440 4.650 . 0 0 "[ . 1 . 2]" 1
827 1 55 SER HA 1 56 VAL H . . 3.140 2.203 2.139 2.270 . 0 0 "[ . 1 . 2]" 1
828 1 55 SER HA 1 56 VAL MG2 . . 4.770 3.398 3.133 3.707 . 0 0 "[ . 1 . 2]" 1
829 1 55 SER HA 1 74 ILE MD . . 4.080 2.669 2.343 2.960 . 0 0 "[ . 1 . 2]" 1
830 1 55 SER QB 1 56 VAL H . . 3.420 3.317 2.801 3.428 0.008 3 0 "[ . 1 . 2]" 1
831 1 55 SER QB 1 70 VAL QG . . 3.840 3.541 3.099 3.850 0.010 3 0 "[ . 1 . 2]" 1
832 1 55 SER QB 1 71 VAL H . . 5.340 5.205 4.599 5.351 0.011 6 0 "[ . 1 . 2]" 1
833 1 55 SER QB 1 97 ARG HG2 . . 4.790 2.681 2.081 3.825 . 0 0 "[ . 1 . 2]" 1
834 1 56 VAL H 1 56 VAL HB . . 3.320 2.776 2.639 2.921 . 0 0 "[ . 1 . 2]" 1
835 1 56 VAL H 1 56 VAL MG1 . . 3.990 3.906 3.856 3.951 . 0 0 "[ . 1 . 2]" 1
836 1 56 VAL H 1 56 VAL MG2 . . 3.650 2.684 2.437 2.961 . 0 0 "[ . 1 . 2]" 1
837 1 56 VAL H 1 57 ALA H . . 4.710 4.409 4.259 4.516 . 0 0 "[ . 1 . 2]" 1
838 1 56 VAL H 1 70 VAL QG . . 4.280 3.524 3.137 4.000 . 0 0 "[ . 1 . 2]" 1
839 1 56 VAL H 1 71 VAL H . . 3.890 3.131 2.814 3.591 . 0 0 "[ . 1 . 2]" 1
840 1 56 VAL H 1 71 VAL HB . . 3.740 2.706 2.409 3.096 . 0 0 "[ . 1 . 2]" 1
841 1 56 VAL H 1 71 VAL MG1 . . 4.770 3.978 3.673 4.332 . 0 0 "[ . 1 . 2]" 1
842 1 56 VAL H 1 71 VAL MG2 . . 4.330 3.956 3.718 4.286 . 0 0 "[ . 1 . 2]" 1
843 1 56 VAL H 1 74 ILE MD . . 3.710 2.708 2.197 3.024 . 0 0 "[ . 1 . 2]" 1
844 1 56 VAL HB 1 57 ALA H . . 4.350 3.854 3.473 4.139 . 0 0 "[ . 1 . 2]" 1
845 1 56 VAL HB 1 71 VAL H . . 4.380 3.588 3.121 4.111 . 0 0 "[ . 1 . 2]" 1
846 1 56 VAL HB 1 71 VAL HB . . 3.700 2.365 2.103 2.566 . 0 0 "[ . 1 . 2]" 1
847 1 56 VAL HB 1 71 VAL MG2 . . 3.900 2.337 2.031 2.716 . 0 0 "[ . 1 . 2]" 1
848 1 56 VAL HB 1 74 ILE MD . . 3.710 2.970 2.490 3.376 . 0 0 "[ . 1 . 2]" 1
849 1 56 VAL HB 1 81 TRP HE1 . . 5.320 4.862 4.558 5.164 . 0 0 "[ . 1 . 2]" 1
850 1 56 VAL MG1 1 57 ALA H . . 3.320 2.157 1.897 2.596 . 0 0 "[ . 1 . 2]" 1
851 1 56 VAL MG1 1 58 TYR H . . 4.850 4.572 4.290 4.844 . 0 0 "[ . 1 . 2]" 1
852 1 56 VAL MG1 1 58 TYR HB3 . . 4.600 3.962 3.793 4.236 . 0 0 "[ . 1 . 2]" 1
853 1 56 VAL MG1 1 58 TYR QD . . 3.940 3.200 2.930 3.562 . 0 0 "[ . 1 . 2]" 1
854 1 56 VAL MG1 1 71 VAL HB . . 4.240 3.927 3.641 4.109 . 0 0 "[ . 1 . 2]" 1
855 1 56 VAL MG1 1 74 ILE MD . . 4.010 3.930 3.547 4.028 0.018 3 0 "[ . 1 . 2]" 1
856 1 56 VAL MG1 1 81 TRP HB2 . . 4.710 4.141 3.882 4.607 . 0 0 "[ . 1 . 2]" 1
857 1 56 VAL MG1 1 81 TRP HD1 . . 4.200 3.239 2.805 3.692 . 0 0 "[ . 1 . 2]" 1
858 1 56 VAL MG1 1 83 LEU MD1 . . 3.080 2.861 2.493 3.048 . 0 0 "[ . 1 . 2]" 1
859 1 56 VAL MG1 1 83 LEU MD2 . . 2.870 2.103 1.887 2.483 . 0 0 "[ . 1 . 2]" 1
860 1 56 VAL MG1 1 94 VAL HA . . 4.550 4.246 3.977 4.457 . 0 0 "[ . 1 . 2]" 1
861 1 56 VAL MG1 1 94 VAL MG1 . . 2.730 2.211 1.985 2.392 . 0 0 "[ . 1 . 2]" 1
862 1 56 VAL MG1 1 95 TRP H . . 4.450 3.589 3.164 3.824 . 0 0 "[ . 1 . 2]" 1
863 1 56 VAL MG1 1 96 VAL MG2 . . 4.050 3.648 3.241 3.909 . 0 0 "[ . 1 . 2]" 1
864 1 56 VAL MG2 1 57 ALA H . . 4.040 4.002 3.917 4.055 0.015 14 0 "[ . 1 . 2]" 1
865 1 56 VAL MG2 1 71 VAL H . . 5.090 4.717 4.264 5.096 0.006 11 0 "[ . 1 . 2]" 1
866 1 56 VAL MG2 1 71 VAL HB . . 3.940 3.330 2.631 3.655 . 0 0 "[ . 1 . 2]" 1
867 1 56 VAL MG2 1 74 ILE MD . . 2.910 2.106 1.795 2.396 . 0 0 "[ . 1 . 2]" 1
868 1 56 VAL MG2 1 81 TRP H . . 4.890 4.602 4.257 4.892 0.002 6 0 "[ . 1 . 2]" 1
869 1 56 VAL MG2 1 81 TRP HB2 . . 3.950 2.669 2.374 2.947 . 0 0 "[ . 1 . 2]" 1
870 1 56 VAL MG2 1 81 TRP HB3 . . 4.260 2.692 2.499 2.987 . 0 0 "[ . 1 . 2]" 1
871 1 56 VAL MG2 1 81 TRP HD1 . . 4.150 3.715 3.522 3.943 . 0 0 "[ . 1 . 2]" 1
872 1 56 VAL MG2 1 81 TRP HE1 . . 5.020 4.980 4.777 5.030 0.010 14 0 "[ . 1 . 2]" 1
873 1 56 VAL MG2 1 97 ARG H . . 4.620 4.165 3.986 4.485 . 0 0 "[ . 1 . 2]" 1
874 1 57 ALA H 1 57 ALA MB . . 3.410 2.605 2.412 2.744 . 0 0 "[ . 1 . 2]" 1
875 1 57 ALA H 1 58 TYR H . . 4.550 4.362 4.149 4.469 . 0 0 "[ . 1 . 2]" 1
876 1 57 ALA H 1 94 VAL HA . . 4.400 4.320 4.226 4.408 0.008 8 0 "[ . 1 . 2]" 1
877 1 57 ALA H 1 94 VAL MG1 . . 4.050 3.016 2.777 3.328 . 0 0 "[ . 1 . 2]" 1
878 1 57 ALA H 1 95 TRP QB . . 4.160 3.645 3.296 3.917 . 0 0 "[ . 1 . 2]" 1
879 1 57 ALA H 1 96 VAL MG2 . . 5.230 5.089 4.840 5.235 0.005 8 0 "[ . 1 . 2]" 1
880 1 57 ALA H 1 97 ARG H . . 5.500 5.418 5.183 5.521 0.021 16 0 "[ . 1 . 2]" 1
881 1 57 ALA HA 1 58 TYR H . . 2.930 2.257 2.154 2.384 . 0 0 "[ . 1 . 2]" 1
882 1 57 ALA HA 1 58 TYR QD . . 4.530 3.082 2.788 3.287 . 0 0 "[ . 1 . 2]" 1
883 1 57 ALA HA 1 69 HIS H . . 4.980 4.753 4.540 4.975 . 0 0 "[ . 1 . 2]" 1
884 1 57 ALA HA 1 70 VAL H . . 4.940 4.633 4.488 4.755 . 0 0 "[ . 1 . 2]" 1
885 1 57 ALA HA 1 70 VAL QG . . 3.680 3.183 2.979 3.392 . 0 0 "[ . 1 . 2]" 1
886 1 57 ALA HA 1 71 VAL H . . 3.840 3.328 3.130 3.549 . 0 0 "[ . 1 . 2]" 1
887 1 57 ALA MB 1 58 TYR H . . 3.170 2.812 2.492 3.113 . 0 0 "[ . 1 . 2]" 1
888 1 57 ALA MB 1 68 ARG QD . . 4.360 2.528 1.889 3.387 . 0 0 "[ . 1 . 2]" 1
889 1 57 ALA MB 1 70 VAL H . . 4.800 4.702 4.546 4.804 0.004 20 0 "[ . 1 . 2]" 1
890 1 57 ALA MB 1 70 VAL QG . . 3.190 2.150 1.953 2.349 . 0 0 "[ . 1 . 2]" 1
891 1 57 ALA MB 1 71 VAL H . . 4.480 4.010 3.702 4.246 . 0 0 "[ . 1 . 2]" 1
892 1 57 ALA MB 1 95 TRP H . . 4.090 3.243 2.968 3.497 . 0 0 "[ . 1 . 2]" 1
893 1 57 ALA MB 1 95 TRP QB . . 3.850 2.597 2.375 2.811 . 0 0 "[ . 1 . 2]" 1
894 1 57 ALA MB 1 95 TRP HE3 . . 4.200 2.432 2.110 2.753 . 0 0 "[ . 1 . 2]" 1
895 1 57 ALA MB 1 95 TRP HZ3 . . 4.340 3.986 3.649 4.264 . 0 0 "[ . 1 . 2]" 1
896 1 58 TYR H 1 58 TYR HB3 . . 4.170 3.378 3.245 3.474 . 0 0 "[ . 1 . 2]" 1
897 1 58 TYR H 1 58 TYR QD . . 3.570 2.727 2.418 2.940 . 0 0 "[ . 1 . 2]" 1
898 1 58 TYR H 1 58 TYR QE . . 4.400 4.087 3.825 4.264 . 0 0 "[ . 1 . 2]" 1
899 1 58 TYR H 1 68 ARG HA . . 4.550 4.416 4.190 4.558 0.008 5 0 "[ . 1 . 2]" 1
900 1 58 TYR H 1 69 HIS H . . 3.490 2.985 2.796 3.306 . 0 0 "[ . 1 . 2]" 1
901 1 58 TYR H 1 69 HIS HB2 . . 4.160 3.401 3.305 3.601 . 0 0 "[ . 1 . 2]" 1
902 1 58 TYR H 1 69 HIS HB3 . . 4.590 4.248 4.097 4.461 . 0 0 "[ . 1 . 2]" 1
903 1 58 TYR H 1 70 VAL QG . . 4.230 4.019 3.781 4.205 . 0 0 "[ . 1 . 2]" 1
904 1 58 TYR H 1 71 VAL H . . 5.250 5.232 5.162 5.272 0.022 3 0 "[ . 1 . 2]" 1
905 1 58 TYR H 1 95 TRP H . . 4.950 4.790 4.653 4.888 . 0 0 "[ . 1 . 2]" 1
906 1 58 TYR H 1 95 TRP HZ3 . . 4.880 4.711 4.396 4.885 0.005 8 0 "[ . 1 . 2]" 1
907 1 58 TYR HA 1 58 TYR QD . . 4.350 3.704 3.664 3.735 . 0 0 "[ . 1 . 2]" 1
908 1 58 TYR HA 1 59 GLU H . . 3.110 2.216 2.166 2.309 . 0 0 "[ . 1 . 2]" 1
909 1 58 TYR HA 1 69 HIS H . . 5.070 4.797 4.627 4.968 . 0 0 "[ . 1 . 2]" 1
910 1 58 TYR HA 1 93 ARG H . . 5.110 4.703 4.502 4.929 . 0 0 "[ . 1 . 2]" 1
911 1 58 TYR HA 1 94 VAL HA . . 4.130 2.361 2.200 2.504 . 0 0 "[ . 1 . 2]" 1
912 1 58 TYR HA 1 94 VAL MG1 . . 4.590 3.817 3.601 3.987 . 0 0 "[ . 1 . 2]" 1
913 1 58 TYR HA 1 94 VAL MG2 . . 4.220 3.175 2.930 3.450 . 0 0 "[ . 1 . 2]" 1
914 1 58 TYR HA 1 95 TRP H . . 4.130 3.587 3.406 3.706 . 0 0 "[ . 1 . 2]" 1
915 1 58 TYR HA 1 95 TRP HE3 . . 4.460 3.388 3.140 3.630 . 0 0 "[ . 1 . 2]" 1
916 1 58 TYR HA 1 95 TRP HZ3 . . 4.260 3.448 3.135 3.781 . 0 0 "[ . 1 . 2]" 1
917 1 58 TYR HB2 1 59 GLU H . . 3.680 2.976 2.672 3.190 . 0 0 "[ . 1 . 2]" 1
918 1 58 TYR HB2 1 83 LEU MD1 . . 4.220 3.063 2.896 3.349 . 0 0 "[ . 1 . 2]" 1
919 1 58 TYR HB2 1 83 LEU MD2 . . 4.770 4.408 4.106 4.703 . 0 0 "[ . 1 . 2]" 1
920 1 58 TYR HB2 1 92 TYR QD . . 4.740 3.036 2.811 3.306 . 0 0 "[ . 1 . 2]" 1
921 1 58 TYR HB2 1 94 VAL MG1 . . 5.500 4.683 4.371 4.923 . 0 0 "[ . 1 . 2]" 1
922 1 58 TYR HB2 1 94 VAL MG2 . . 3.890 3.102 2.796 3.253 . 0 0 "[ . 1 . 2]" 1
923 1 58 TYR HB3 1 59 GLU H . . 4.180 3.966 3.770 4.109 . 0 0 "[ . 1 . 2]" 1
924 1 58 TYR HB3 1 83 LEU MD1 . . 4.070 1.987 1.935 2.156 . 0 0 "[ . 1 . 2]" 1
925 1 58 TYR HB3 1 83 LEU MD2 . . 4.840 3.242 2.835 3.604 . 0 0 "[ . 1 . 2]" 1
926 1 58 TYR HB3 1 94 VAL MG1 . . 4.230 3.386 3.135 3.654 . 0 0 "[ . 1 . 2]" 1
927 1 58 TYR HB3 1 94 VAL MG2 . . 3.850 2.262 2.054 2.354 . 0 0 "[ . 1 . 2]" 1
928 1 58 TYR QD 1 59 GLU H . . 4.480 4.185 3.920 4.384 . 0 0 "[ . 1 . 2]" 1
929 1 58 TYR QD 1 69 HIS H . . 4.420 3.932 3.859 4.050 . 0 0 "[ . 1 . 2]" 1
930 1 58 TYR QD 1 69 HIS HB2 . . 4.120 3.257 3.123 3.348 . 0 0 "[ . 1 . 2]" 1
931 1 58 TYR QD 1 69 HIS HB3 . . 4.900 4.182 4.028 4.347 . 0 0 "[ . 1 . 2]" 1
932 1 58 TYR QD 1 69 HIS HD2 . . 4.660 4.640 4.591 4.668 0.008 17 0 "[ . 1 . 2]" 1
933 1 58 TYR QD 1 71 VAL H . . 4.930 4.756 4.508 4.931 0.001 18 0 "[ . 1 . 2]" 1
934 1 58 TYR QD 1 71 VAL MG2 . . 4.040 3.262 3.097 3.463 . 0 0 "[ . 1 . 2]" 1
935 1 58 TYR QD 1 83 LEU HB3 . . 4.680 3.984 3.742 4.176 . 0 0 "[ . 1 . 2]" 1
936 1 58 TYR QD 1 83 LEU MD1 . . 3.830 2.619 2.110 3.018 . 0 0 "[ . 1 . 2]" 1
937 1 58 TYR QD 1 83 LEU MD2 . . 3.590 2.012 1.940 2.106 . 0 0 "[ . 1 . 2]" 1
938 1 58 TYR QD 1 86 LEU MD2 . . 3.720 2.173 1.955 2.437 . 0 0 "[ . 1 . 2]" 1
939 1 58 TYR QD 1 92 TYR HB3 . . 5.360 4.551 3.918 4.810 . 0 0 "[ . 1 . 2]" 1
940 1 58 TYR QD 1 92 TYR QD . . 3.430 3.269 2.959 3.432 0.002 8 0 "[ . 1 . 2]" 1
941 1 58 TYR QD 1 94 VAL MG2 . . 4.010 3.984 3.826 4.020 0.010 10 0 "[ . 1 . 2]" 1
942 1 58 TYR QE 1 69 HIS H . . 4.530 4.345 4.239 4.514 . 0 0 "[ . 1 . 2]" 1
943 1 58 TYR QE 1 69 HIS HB2 . . 4.230 2.731 2.654 2.860 . 0 0 "[ . 1 . 2]" 1
944 1 58 TYR QE 1 69 HIS HB3 . . 4.280 3.001 2.815 3.149 . 0 0 "[ . 1 . 2]" 1
945 1 58 TYR QE 1 69 HIS HD2 . . 3.950 3.923 3.821 3.955 0.005 20 0 "[ . 1 . 2]" 1
946 1 58 TYR QE 1 70 VAL H . . 4.920 4.508 4.312 4.741 . 0 0 "[ . 1 . 2]" 1
947 1 58 TYR QE 1 71 VAL H . . 4.690 4.396 4.091 4.672 . 0 0 "[ . 1 . 2]" 1
948 1 58 TYR QE 1 71 VAL MG2 . . 3.280 2.320 2.058 2.622 . 0 0 "[ . 1 . 2]" 1
949 1 58 TYR QE 1 83 LEU MD1 . . 4.410 4.005 3.522 4.410 . 0 0 "[ . 1 . 2]" 1
950 1 58 TYR QE 1 83 LEU MD2 . . 3.490 2.501 2.182 2.878 . 0 0 "[ . 1 . 2]" 1
951 1 58 TYR QE 1 86 LEU MD2 . . 3.430 2.397 1.968 2.896 . 0 0 "[ . 1 . 2]" 1
952 1 59 GLU H 1 59 GLU HB2 . . 4.130 3.263 3.175 3.381 . 0 0 "[ . 1 . 2]" 1
953 1 59 GLU H 1 59 GLU HB3 . . 3.710 2.948 2.877 3.074 . 0 0 "[ . 1 . 2]" 1
954 1 59 GLU H 1 60 ALA H . . 4.610 4.191 4.116 4.296 . 0 0 "[ . 1 . 2]" 1
955 1 59 GLU H 1 60 ALA MB . . 5.380 5.280 5.172 5.388 0.008 6 0 "[ . 1 . 2]" 1
956 1 59 GLU H 1 68 ARG HA . . 5.150 4.544 4.446 4.641 . 0 0 "[ . 1 . 2]" 1
957 1 59 GLU H 1 68 ARG QG . . 4.420 4.205 3.995 4.439 0.019 5 0 "[ . 1 . 2]" 1
958 1 59 GLU H 1 92 TYR HB2 . . 5.500 5.451 5.254 5.504 0.004 12 0 "[ . 1 . 2]" 1
959 1 59 GLU H 1 92 TYR HB3 . . 4.330 3.734 3.526 3.812 . 0 0 "[ . 1 . 2]" 1
960 1 59 GLU H 1 92 TYR QD . . 3.850 3.156 2.936 3.354 . 0 0 "[ . 1 . 2]" 1
961 1 59 GLU H 1 93 ARG H . . 3.820 3.071 2.864 3.334 . 0 0 "[ . 1 . 2]" 1
962 1 59 GLU H 1 93 ARG HA . . 5.500 4.822 4.623 5.030 . 0 0 "[ . 1 . 2]" 1
963 1 59 GLU H 1 93 ARG HB2 . . 3.920 3.650 3.359 3.902 . 0 0 "[ . 1 . 2]" 1
964 1 59 GLU H 1 94 VAL HA . . 4.200 3.909 3.767 4.083 . 0 0 "[ . 1 . 2]" 1
965 1 59 GLU H 1 95 TRP H . . 5.500 5.384 5.178 5.510 0.010 17 0 "[ . 1 . 2]" 1
966 1 59 GLU H 1 95 TRP HE3 . . 4.430 4.302 4.139 4.427 . 0 0 "[ . 1 . 2]" 1
967 1 59 GLU H 1 95 TRP HZ3 . . 4.280 2.913 2.660 3.240 . 0 0 "[ . 1 . 2]" 1
968 1 59 GLU HA 1 60 ALA H . . 2.930 2.161 2.145 2.197 . 0 0 "[ . 1 . 2]" 1
969 1 59 GLU HA 1 60 ALA MB . . 4.410 3.972 3.915 4.012 . 0 0 "[ . 1 . 2]" 1
970 1 59 GLU HA 1 69 HIS H . . 4.090 3.540 3.428 3.611 . 0 0 "[ . 1 . 2]" 1
971 1 59 GLU HB2 1 60 ALA H . . 4.390 4.256 4.163 4.339 . 0 0 "[ . 1 . 2]" 1
972 1 59 GLU HB2 1 68 ARG H . . 4.620 4.191 3.994 4.310 . 0 0 "[ . 1 . 2]" 1
973 1 59 GLU HB2 1 68 ARG QD . . 4.640 3.970 3.606 4.300 . 0 0 "[ . 1 . 2]" 1
974 1 59 GLU HB2 1 68 ARG QG . . 4.430 2.145 1.995 2.393 . 0 0 "[ . 1 . 2]" 1
975 1 59 GLU HB2 1 69 HIS H . . 4.220 3.665 3.444 3.825 . 0 0 "[ . 1 . 2]" 1
976 1 59 GLU HB2 1 95 TRP HE3 . . 4.580 4.480 4.302 4.581 0.001 3 0 "[ . 1 . 2]" 1
977 1 59 GLU HB2 1 95 TRP HH2 . . 4.500 3.897 3.495 4.237 . 0 0 "[ . 1 . 2]" 1
978 1 59 GLU HB3 1 68 ARG H . . 5.500 5.480 5.409 5.513 0.013 20 0 "[ . 1 . 2]" 1
979 1 59 GLU HB3 1 68 ARG QD . . 5.500 5.057 4.528 5.518 0.018 5 0 "[ . 1 . 2]" 1
980 1 59 GLU HB3 1 68 ARG QG . . 4.460 3.419 3.147 3.660 . 0 0 "[ . 1 . 2]" 1
981 1 59 GLU HB3 1 93 ARG H . . 4.370 4.223 4.029 4.379 0.009 20 0 "[ . 1 . 2]" 1
982 1 59 GLU HB3 1 95 TRP HE3 . . 4.710 4.646 4.512 4.711 0.001 6 0 "[ . 1 . 2]" 1
983 1 59 GLU HB3 1 95 TRP HH2 . . 4.050 2.500 2.074 2.844 . 0 0 "[ . 1 . 2]" 1
984 1 59 GLU HB3 1 95 TRP HZ2 . . 5.300 4.943 4.530 5.283 . 0 0 "[ . 1 . 2]" 1
985 1 59 GLU QG 1 60 ALA H . . 3.860 2.594 2.361 2.822 . 0 0 "[ . 1 . 2]" 1
986 1 59 GLU QG 1 68 ARG QB . . 4.420 2.307 1.976 2.877 . 0 0 "[ . 1 . 2]" 1
987 1 59 GLU QG 1 68 ARG QD . . 5.340 4.747 4.185 5.097 . 0 0 "[ . 1 . 2]" 1
988 1 59 GLU QG 1 68 ARG QG . . 4.960 3.608 3.383 3.816 . 0 0 "[ . 1 . 2]" 1
989 1 59 GLU QG 1 69 HIS H . . 4.930 4.269 4.108 4.502 . 0 0 "[ . 1 . 2]" 1
990 1 60 ALA H 1 60 ALA MB . . 3.000 2.180 2.051 2.252 . 0 0 "[ . 1 . 2]" 1
991 1 60 ALA H 1 61 VAL H . . 4.850 4.511 4.338 4.616 . 0 0 "[ . 1 . 2]" 1
992 1 60 ALA H 1 66 ARG HA . . 4.250 3.693 3.204 4.080 . 0 0 "[ . 1 . 2]" 1
993 1 60 ALA H 1 67 GLY H . . 5.090 4.673 4.444 4.828 . 0 0 "[ . 1 . 2]" 1
994 1 60 ALA H 1 68 ARG HA . . 4.600 4.398 4.147 4.568 . 0 0 "[ . 1 . 2]" 1
995 1 60 ALA H 1 69 HIS H . . 5.500 5.468 5.308 5.511 0.011 20 0 "[ . 1 . 2]" 1
996 1 60 ALA H 1 92 TYR QD . . 4.070 3.226 2.967 3.597 . 0 0 "[ . 1 . 2]" 1
997 1 60 ALA H 1 92 TYR QE . . 4.200 2.767 2.405 3.142 . 0 0 "[ . 1 . 2]" 1
998 1 60 ALA HA 1 61 VAL H . . 3.080 2.160 2.142 2.212 . 0 0 "[ . 1 . 2]" 1
999 1 60 ALA HA 1 61 VAL HB . . 4.800 4.596 4.481 4.707 . 0 0 "[ . 1 . 2]" 1
1000 1 60 ALA HA 1 61 VAL QG . . 3.960 3.651 3.442 3.780 . 0 0 "[ . 1 . 2]" 1
1001 1 60 ALA HA 1 62 ASP H . . 4.360 3.865 3.515 4.285 . 0 0 "[ . 1 . 2]" 1
1002 1 60 ALA HA 1 63 GLY H . . 4.830 4.223 3.543 4.646 . 0 0 "[ . 1 . 2]" 1
1003 1 60 ALA HA 1 90 THR MG . . 4.250 3.662 3.472 3.978 . 0 0 "[ . 1 . 2]" 1
1004 1 60 ALA HA 1 92 TYR HA . . 3.760 2.524 2.268 2.704 . 0 0 "[ . 1 . 2]" 1
1005 1 60 ALA HA 1 92 TYR QD . . 4.450 2.947 2.709 3.237 . 0 0 "[ . 1 . 2]" 1
1006 1 60 ALA HA 1 93 ARG H . . 3.980 3.645 3.335 3.937 . 0 0 "[ . 1 . 2]" 1
1007 1 60 ALA MB 1 61 VAL H . . 3.520 3.145 2.839 3.419 . 0 0 "[ . 1 . 2]" 1
1008 1 60 ALA MB 1 61 VAL HA . . 4.630 4.311 4.185 4.440 . 0 0 "[ . 1 . 2]" 1
1009 1 60 ALA MB 1 61 VAL HB . . 5.500 5.228 4.829 5.451 . 0 0 "[ . 1 . 2]" 1
1010 1 60 ALA MB 1 62 ASP H . . 3.730 3.491 3.264 3.722 . 0 0 "[ . 1 . 2]" 1
1011 1 60 ALA MB 1 63 GLY H . . 3.350 2.517 2.094 2.906 . 0 0 "[ . 1 . 2]" 1
1012 1 60 ALA MB 1 63 GLY HA2 . . 3.880 3.631 3.346 3.839 . 0 0 "[ . 1 . 2]" 1
1013 1 60 ALA MB 1 63 GLY QA . . 3.300 2.213 1.935 2.416 . 0 0 "[ . 1 . 2]" 1
1014 1 60 ALA MB 1 63 GLY HA3 . . 3.880 2.232 1.948 2.443 . 0 0 "[ . 1 . 2]" 1
1015 1 60 ALA MB 1 64 GLU H . . 4.660 4.032 3.690 4.428 . 0 0 "[ . 1 . 2]" 1
1016 1 60 ALA MB 1 65 ASP H . . 4.110 3.798 3.525 3.981 . 0 0 "[ . 1 . 2]" 1
1017 1 60 ALA MB 1 65 ASP HB3 . . 4.700 4.177 3.516 4.568 . 0 0 "[ . 1 . 2]" 1
1018 1 60 ALA MB 1 66 ARG HA . . 4.010 3.109 2.378 3.625 . 0 0 "[ . 1 . 2]" 1
1019 1 60 ALA MB 1 66 ARG QD . . 4.170 3.865 3.360 4.137 . 0 0 "[ . 1 . 2]" 1
1020 1 60 ALA MB 1 67 GLY H . . 5.090 4.425 4.068 4.714 . 0 0 "[ . 1 . 2]" 1
1021 1 60 ALA MB 1 87 GLU HB2 . . 4.790 4.304 4.002 4.592 . 0 0 "[ . 1 . 2]" 1
1022 1 60 ALA MB 1 87 GLU QB . . 4.090 3.924 3.630 4.093 0.003 17 0 "[ . 1 . 2]" 1
1023 1 60 ALA MB 1 87 GLU HB3 . . 4.790 4.538 4.077 4.797 0.007 16 0 "[ . 1 . 2]" 1
1024 1 60 ALA MB 1 90 THR MG . . 2.990 2.661 2.475 2.987 . 0 0 "[ . 1 . 2]" 1
1025 1 60 ALA MB 1 91 GLU H . . 5.500 5.388 4.994 5.509 0.009 16 0 "[ . 1 . 2]" 1
1026 1 60 ALA MB 1 92 TYR HA . . 4.740 4.034 3.723 4.258 . 0 0 "[ . 1 . 2]" 1
1027 1 60 ALA MB 1 92 TYR QD . . 4.090 3.352 3.159 3.476 . 0 0 "[ . 1 . 2]" 1
1028 1 60 ALA MB 1 92 TYR QE . . 3.850 2.208 1.985 2.409 . 0 0 "[ . 1 . 2]" 1
1029 1 61 VAL H 1 61 VAL HB . . 3.380 2.704 2.493 3.001 . 0 0 "[ . 1 . 2]" 1
1030 1 61 VAL H 1 61 VAL MG1 . . 3.830 2.347 1.891 3.805 . 0 0 "[ . 1 . 2]" 1
1031 1 61 VAL H 1 61 VAL QG . . 2.970 2.059 1.886 2.544 . 0 0 "[ . 1 . 2]" 1
1032 1 61 VAL H 1 61 VAL MG2 . . 3.830 3.516 2.299 3.812 . 0 0 "[ . 1 . 2]" 1
1033 1 61 VAL H 1 62 ASP H . . 3.260 2.311 2.097 2.460 . 0 0 "[ . 1 . 2]" 1
1034 1 61 VAL H 1 62 ASP HA . . 5.320 4.982 4.826 5.135 . 0 0 "[ . 1 . 2]" 1
1035 1 61 VAL H 1 62 ASP QB . . 5.200 4.425 4.181 4.841 . 0 0 "[ . 1 . 2]" 1
1036 1 61 VAL H 1 63 GLY H . . 4.510 3.689 3.245 4.093 . 0 0 "[ . 1 . 2]" 1
1037 1 61 VAL H 1 90 THR MG . . 4.520 3.902 3.338 4.484 . 0 0 "[ . 1 . 2]" 1
1038 1 61 VAL H 1 91 GLU QB . . 4.890 3.884 3.517 4.212 . 0 0 "[ . 1 . 2]" 1
1039 1 61 VAL H 1 91 GLU QG . . 5.010 4.723 3.977 5.014 0.004 17 0 "[ . 1 . 2]" 1
1040 1 61 VAL H 1 92 TYR H . . 5.280 5.039 4.638 5.247 . 0 0 "[ . 1 . 2]" 1
1041 1 61 VAL H 1 92 TYR HA . . 3.640 2.951 2.359 3.236 . 0 0 "[ . 1 . 2]" 1
1042 1 61 VAL H 1 92 TYR QD . . 4.800 4.577 4.192 4.801 0.001 5 0 "[ . 1 . 2]" 1
1043 1 61 VAL H 1 93 ARG H . . 4.170 3.705 3.123 4.157 . 0 0 "[ . 1 . 2]" 1
1044 1 61 VAL HA 1 61 VAL MG1 . . 3.390 3.037 2.346 3.204 . 0 0 "[ . 1 . 2]" 1
1045 1 61 VAL HA 1 61 VAL QG . . 2.870 2.256 2.084 2.372 . 0 0 "[ . 1 . 2]" 1
1046 1 61 VAL HA 1 61 VAL MG2 . . 3.390 2.351 2.176 2.444 . 0 0 "[ . 1 . 2]" 1
1047 1 61 VAL HA 1 62 ASP QB . . 5.340 5.035 4.853 5.316 . 0 0 "[ . 1 . 2]" 1
1048 1 61 VAL HA 1 63 GLY H . . 5.500 4.172 3.879 4.416 . 0 0 "[ . 1 . 2]" 1
1049 1 61 VAL HB 1 62 ASP H . . 4.060 3.670 2.390 4.076 0.016 3 0 "[ . 1 . 2]" 1
1050 1 61 VAL HB 1 93 ARG QG . . 5.340 2.891 2.120 4.406 . 0 0 "[ . 1 . 2]" 1
1051 1 61 VAL QG 1 62 ASP H . . 3.320 2.220 1.874 3.244 . 0 0 "[ . 1 . 2]" 1
1052 1 61 VAL QG 1 62 ASP QB . . 3.530 2.587 2.294 3.196 . 0 0 "[ . 1 . 2]" 1
1053 1 61 VAL QG 1 91 GLU QB . . 3.600 2.391 1.934 3.552 . 0 0 "[ . 1 . 2]" 1
1054 1 61 VAL QG 1 91 GLU QG . . 3.490 2.795 2.371 3.484 . 0 0 "[ . 1 . 2]" 1
1055 1 61 VAL QG 1 92 TYR HA . . 4.020 3.272 2.580 3.681 . 0 0 "[ . 1 . 2]" 1
1056 1 61 VAL QG 1 93 ARG H . . 4.620 3.503 2.423 3.968 . 0 0 "[ . 1 . 2]" 1
1057 1 61 VAL QG 1 93 ARG QD . . 4.340 2.719 1.859 4.257 . 0 0 "[ . 1 . 2]" 1
1058 1 61 VAL MG1 1 62 ASP H . . 3.800 2.275 1.881 3.542 . 0 0 "[ . 1 . 2]" 1
1059 1 61 VAL MG2 1 62 ASP H . . 3.800 3.684 3.496 3.800 . 0 0 "[ . 1 . 2]" 1
1060 1 62 ASP H 1 62 ASP HB2 . . 3.870 2.797 2.420 3.856 . 0 0 "[ . 1 . 2]" 1
1061 1 62 ASP H 1 62 ASP HB3 . . 3.870 3.070 2.797 3.701 . 0 0 "[ . 1 . 2]" 1
1062 1 62 ASP H 1 63 GLY H . . 3.440 2.476 2.013 2.882 . 0 0 "[ . 1 . 2]" 1
1063 1 62 ASP H 1 63 GLY QA . . 4.630 3.929 3.752 4.076 . 0 0 "[ . 1 . 2]" 1
1064 1 62 ASP H 1 90 THR MG . . 4.280 3.260 3.015 3.450 . 0 0 "[ . 1 . 2]" 1
1065 1 62 ASP H 1 91 GLU H . . 4.820 4.298 4.034 4.522 . 0 0 "[ . 1 . 2]" 1
1066 1 62 ASP H 1 91 GLU QB . . 5.340 3.518 3.104 3.918 . 0 0 "[ . 1 . 2]" 1
1067 1 62 ASP QB 1 63 GLY H . . 3.970 3.761 3.149 3.967 . 0 0 "[ . 1 . 2]" 1
1068 1 62 ASP HB2 1 63 GLY H . . 4.530 4.389 4.036 4.531 0.001 20 0 "[ . 1 . 2]" 1
1069 1 62 ASP HB3 1 63 GLY H . . 4.530 4.110 3.286 4.411 . 0 0 "[ . 1 . 2]" 1
1070 1 63 GLY H 1 64 GLU H . . 4.900 4.447 4.256 4.627 . 0 0 "[ . 1 . 2]" 1
1071 1 63 GLY H 1 65 ASP H . . 5.500 5.338 4.982 5.484 . 0 0 "[ . 1 . 2]" 1
1072 1 63 GLY H 1 66 ARG QD . . 4.740 4.029 3.106 4.515 . 0 0 "[ . 1 . 2]" 1
1073 1 63 GLY H 1 66 ARG QG . . 5.120 4.335 3.694 4.951 . 0 0 "[ . 1 . 2]" 1
1074 1 63 GLY H 1 90 THR MG . . 3.920 3.427 2.959 3.888 . 0 0 "[ . 1 . 2]" 1
1075 1 63 GLY QA 1 65 ASP H . . 4.010 3.617 3.432 3.780 . 0 0 "[ . 1 . 2]" 1
1076 1 63 GLY QA 1 90 THR MG . . 3.620 2.359 1.963 2.663 . 0 0 "[ . 1 . 2]" 1
1077 1 63 GLY HA2 1 64 GLU H . . 3.530 2.605 2.343 2.848 . 0 0 "[ . 1 . 2]" 1
1078 1 63 GLY HA2 1 90 THR MG . . 4.180 2.638 2.155 3.128 . 0 0 "[ . 1 . 2]" 1
1079 1 63 GLY HA3 1 64 GLU H . . 3.530 2.534 2.315 2.810 . 0 0 "[ . 1 . 2]" 1
1080 1 63 GLY HA3 1 90 THR MG . . 4.180 2.689 2.118 3.098 . 0 0 "[ . 1 . 2]" 1
1081 1 64 GLU H 1 64 GLU HB2 . . 3.800 2.380 2.173 2.522 . 0 0 "[ . 1 . 2]" 1
1082 1 64 GLU H 1 64 GLU QB . . 3.200 2.347 2.152 2.476 . 0 0 "[ . 1 . 2]" 1
1083 1 64 GLU H 1 64 GLU HB3 . . 3.800 3.582 3.475 3.630 . 0 0 "[ . 1 . 2]" 1
1084 1 64 GLU H 1 64 GLU HG2 . . 4.080 3.406 2.619 3.898 . 0 0 "[ . 1 . 2]" 1
1085 1 64 GLU H 1 64 GLU QG . . 3.580 2.600 2.188 3.016 . 0 0 "[ . 1 . 2]" 1
1086 1 64 GLU H 1 64 GLU HG3 . . 4.080 3.020 2.210 4.046 . 0 0 "[ . 1 . 2]" 1
1087 1 64 GLU H 1 65 ASP H . . 3.130 2.567 2.328 2.821 . 0 0 "[ . 1 . 2]" 1
1088 1 64 GLU H 1 65 ASP HB2 . . 5.400 5.200 4.880 5.401 0.001 17 0 "[ . 1 . 2]" 1
1089 1 64 GLU H 1 65 ASP HB3 . . 5.220 5.005 4.679 5.221 0.001 17 0 "[ . 1 . 2]" 1
1090 1 64 GLU H 1 90 THR MG . . 4.950 4.286 3.687 4.693 . 0 0 "[ . 1 . 2]" 1
1091 1 64 GLU HA 1 64 GLU HG2 . . 3.510 2.774 2.281 3.545 0.035 2 0 "[ . 1 . 2]" 1
1092 1 64 GLU HA 1 64 GLU QG . . 3.060 2.527 2.242 3.024 . 0 0 "[ . 1 . 2]" 1
1093 1 64 GLU HA 1 64 GLU HG3 . . 3.510 3.129 2.407 3.598 0.088 15 0 "[ . 1 . 2]" 1
1094 1 64 GLU QB 1 64 GLU QG . . 2.310 2.038 1.937 2.086 . 0 0 "[ . 1 . 2]" 1
1095 1 64 GLU QB 1 65 ASP H . . 3.100 2.479 2.316 2.692 . 0 0 "[ . 1 . 2]" 1
1096 1 64 GLU HB2 1 65 ASP H . . 3.850 2.548 2.353 2.776 . 0 0 "[ . 1 . 2]" 1
1097 1 64 GLU HB2 1 65 ASP HB2 . . 4.750 4.011 3.742 4.197 . 0 0 "[ . 1 . 2]" 1
1098 1 64 GLU HB3 1 65 ASP H . . 3.850 3.433 3.019 3.714 . 0 0 "[ . 1 . 2]" 1
1099 1 64 GLU HB3 1 65 ASP HB2 . . 4.750 4.314 3.863 4.661 . 0 0 "[ . 1 . 2]" 1
1100 1 64 GLU QG 1 65 ASP H . . 4.240 4.148 3.958 4.258 0.018 3 0 "[ . 1 . 2]" 1
1101 1 65 ASP H 1 65 ASP HB2 . . 3.180 2.797 2.537 3.049 . 0 0 "[ . 1 . 2]" 1
1102 1 65 ASP H 1 65 ASP HB3 . . 3.060 2.594 2.505 2.771 . 0 0 "[ . 1 . 2]" 1
1103 1 65 ASP H 1 67 GLY H . . 5.420 4.978 4.787 5.314 . 0 0 "[ . 1 . 2]" 1
1104 1 65 ASP HB2 1 66 ARG H . . 4.460 4.341 4.207 4.460 . 0 0 "[ . 1 . 2]" 1
1105 1 65 ASP HB2 1 67 GLY H . . 4.610 4.366 4.256 4.536 . 0 0 "[ . 1 . 2]" 1
1106 1 65 ASP HB3 1 66 ARG H . . 5.050 4.227 4.048 4.350 . 0 0 "[ . 1 . 2]" 1
1107 1 65 ASP HB3 1 67 GLY H . . 4.340 3.446 3.097 3.778 . 0 0 "[ . 1 . 2]" 1
1108 1 66 ARG H 1 66 ARG HB2 . . 3.700 2.263 2.198 2.418 . 0 0 "[ . 1 . 2]" 1
1109 1 66 ARG H 1 66 ARG QB . . 3.010 2.237 2.176 2.385 . 0 0 "[ . 1 . 2]" 1
1110 1 66 ARG H 1 66 ARG HB3 . . 3.700 3.529 3.483 3.640 . 0 0 "[ . 1 . 2]" 1
1111 1 66 ARG H 1 66 ARG QD . . 4.760 3.255 1.969 4.494 . 0 0 "[ . 1 . 2]" 1
1112 1 66 ARG H 1 66 ARG HG2 . . 4.570 3.840 2.905 4.419 . 0 0 "[ . 1 . 2]" 1
1113 1 66 ARG H 1 66 ARG QG . . 3.750 3.402 2.819 3.731 . 0 0 "[ . 1 . 2]" 1
1114 1 66 ARG H 1 66 ARG HG3 . . 4.570 3.942 3.595 4.131 . 0 0 "[ . 1 . 2]" 1
1115 1 66 ARG H 1 67 GLY H . . 3.080 2.788 2.585 2.901 . 0 0 "[ . 1 . 2]" 1
1116 1 66 ARG H 1 67 GLY HA2 . . 4.950 4.744 4.648 4.798 . 0 0 "[ . 1 . 2]" 1
1117 1 66 ARG H 1 67 GLY HA3 . . 4.950 4.768 4.545 4.916 . 0 0 "[ . 1 . 2]" 1
1118 1 66 ARG HA 1 66 ARG QD . . 3.720 2.636 2.139 3.262 . 0 0 "[ . 1 . 2]" 1
1119 1 66 ARG HA 1 66 ARG HG2 . . 4.050 3.148 2.439 3.603 . 0 0 "[ . 1 . 2]" 1
1120 1 66 ARG HA 1 66 ARG QG . . 3.510 2.347 2.178 2.625 . 0 0 "[ . 1 . 2]" 1
1121 1 66 ARG HA 1 66 ARG HG3 . . 4.050 2.830 2.200 3.740 . 0 0 "[ . 1 . 2]" 1
1122 1 66 ARG HA 1 67 GLY H . . 3.510 2.994 2.956 3.073 . 0 0 "[ . 1 . 2]" 1
1123 1 66 ARG QB 1 66 ARG QD . . 3.050 2.382 2.043 2.682 . 0 0 "[ . 1 . 2]" 1
1124 1 66 ARG QB 1 67 GLY H . . 3.740 3.722 3.647 3.755 0.015 20 0 "[ . 1 . 2]" 1
1125 1 66 ARG HB2 1 66 ARG QD . . 3.520 2.829 2.066 3.475 . 0 0 "[ . 1 . 2]" 1
1126 1 66 ARG HB2 1 67 GLY H . . 4.520 4.073 3.948 4.130 . 0 0 "[ . 1 . 2]" 1
1127 1 66 ARG HB3 1 66 ARG QD . . 3.520 2.988 2.196 3.498 . 0 0 "[ . 1 . 2]" 1
1128 1 66 ARG HB3 1 67 GLY H . . 4.520 4.307 4.237 4.381 . 0 0 "[ . 1 . 2]" 1
1129 1 66 ARG QG 1 67 GLY H . . 4.960 4.776 4.564 4.904 . 0 0 "[ . 1 . 2]" 1
1130 1 67 GLY H 1 67 GLY HA2 . . 2.890 2.868 2.829 2.900 0.010 9 0 "[ . 1 . 2]" 1
1131 1 67 GLY H 1 67 GLY HA3 . . 2.850 2.311 2.297 2.331 . 0 0 "[ . 1 . 2]" 1
1132 1 67 GLY HA2 1 68 ARG H . . 2.950 2.143 2.138 2.156 . 0 0 "[ . 1 . 2]" 1
1133 1 67 GLY HA2 1 68 ARG QB . . 4.750 4.090 4.065 4.121 . 0 0 "[ . 1 . 2]" 1
1134 1 67 GLY HA3 1 68 ARG H . . 3.350 3.287 3.193 3.356 0.006 17 0 "[ . 1 . 2]" 1
1135 1 68 ARG H 1 68 ARG HB2 . . 3.130 2.758 2.524 2.884 . 0 0 "[ . 1 . 2]" 1
1136 1 68 ARG H 1 68 ARG HB3 . . 3.130 2.420 2.324 2.601 . 0 0 "[ . 1 . 2]" 1
1137 1 68 ARG H 1 68 ARG QD . . 4.610 4.406 4.127 4.641 0.031 12 0 "[ . 1 . 2]" 1
1138 1 68 ARG H 1 68 ARG QG . . 4.090 4.001 3.946 4.080 . 0 0 "[ . 1 . 2]" 1
1139 1 68 ARG H 1 69 HIS H . . 4.530 4.476 4.378 4.582 0.052 12 0 "[ . 1 . 2]" 1
1140 1 68 ARG HA 1 68 ARG QD . . 4.870 4.019 3.350 4.279 . 0 0 "[ . 1 . 2]" 1
1141 1 68 ARG HA 1 69 HIS H . . 2.970 2.155 2.140 2.210 . 0 0 "[ . 1 . 2]" 1
1142 1 68 ARG HA 1 69 HIS HD2 . . 5.070 3.730 3.309 3.973 . 0 0 "[ . 1 . 2]" 1
1143 1 68 ARG QB 1 68 ARG HE . . 4.840 2.906 2.160 4.261 . 0 0 "[ . 1 . 2]" 1
1144 1 68 ARG QB 1 69 HIS H . . 4.440 3.778 3.595 3.897 . 0 0 "[ . 1 . 2]" 1
1145 1 68 ARG HB2 1 68 ARG QD . . 3.460 2.987 2.537 3.464 0.004 19 0 "[ . 1 . 2]" 1
1146 1 68 ARG HB3 1 68 ARG QD . . 3.460 2.300 2.053 2.591 . 0 0 "[ . 1 . 2]" 1
1147 1 68 ARG QD 1 69 HIS HA . . 5.470 4.855 3.335 5.499 0.029 12 0 "[ . 1 . 2]" 1
1148 1 68 ARG QD 1 70 VAL QG . . 4.000 2.855 2.041 3.321 . 0 0 "[ . 1 . 2]" 1
1149 1 68 ARG QG 1 69 HIS H . . 3.250 2.784 2.326 3.109 . 0 0 "[ . 1 . 2]" 1
1150 1 69 HIS H 1 69 HIS HB2 . . 3.160 2.325 2.246 2.439 . 0 0 "[ . 1 . 2]" 1
1151 1 69 HIS H 1 69 HIS HB3 . . 3.750 3.578 3.531 3.653 . 0 0 "[ . 1 . 2]" 1
1152 1 69 HIS H 1 69 HIS HD2 . . 3.550 3.018 2.768 3.333 . 0 0 "[ . 1 . 2]" 1
1153 1 69 HIS H 1 70 VAL H . . 4.680 4.560 4.516 4.594 . 0 0 "[ . 1 . 2]" 1
1154 1 69 HIS H 1 70 VAL QG . . 4.390 4.277 4.087 4.384 . 0 0 "[ . 1 . 2]" 1
1155 1 69 HIS HA 1 70 VAL H . . 2.690 2.374 2.352 2.381 . 0 0 "[ . 1 . 2]" 1
1156 1 69 HIS HA 1 70 VAL HB . . 4.630 4.553 4.489 4.625 . 0 0 "[ . 1 . 2]" 1
1157 1 69 HIS HA 1 70 VAL QG . . 4.090 3.324 3.178 3.505 . 0 0 "[ . 1 . 2]" 1
1158 1 69 HIS HB2 1 69 HIS HD2 . . 3.940 3.047 2.996 3.115 . 0 0 "[ . 1 . 2]" 1
1159 1 69 HIS HB2 1 70 VAL H . . 3.880 3.868 3.831 3.887 0.007 7 0 "[ . 1 . 2]" 1
1160 1 69 HIS HB3 1 70 VAL H . . 3.220 2.533 2.512 2.569 . 0 0 "[ . 1 . 2]" 1
1161 1 69 HIS HD2 1 70 VAL H . . 5.500 5.497 5.441 5.518 0.018 5 0 "[ . 1 . 2]" 1
1162 1 70 VAL H 1 70 VAL HB . . 2.990 2.809 2.768 2.881 . 0 0 "[ . 1 . 2]" 1
1163 1 70 VAL H 1 70 VAL QG . . 3.030 2.845 2.743 2.965 . 0 0 "[ . 1 . 2]" 1
1164 1 70 VAL H 1 71 VAL H . . 4.370 4.302 4.204 4.376 0.006 14 0 "[ . 1 . 2]" 1
1165 1 70 VAL H 1 71 VAL MG2 . . 4.540 4.449 4.323 4.514 . 0 0 "[ . 1 . 2]" 1
1166 1 70 VAL HB 1 71 VAL H . . 4.470 4.067 3.927 4.215 . 0 0 "[ . 1 . 2]" 1
1167 1 70 VAL QG 1 71 VAL H . . 3.000 2.361 2.100 2.662 . 0 0 "[ . 1 . 2]" 1
1168 1 71 VAL H 1 71 VAL HB . . 3.430 2.523 2.486 2.559 . 0 0 "[ . 1 . 2]" 1
1169 1 71 VAL H 1 71 VAL MG2 . . 3.340 2.499 2.312 2.676 . 0 0 "[ . 1 . 2]" 1
1170 1 71 VAL H 1 72 ASP H . . 4.670 4.508 4.468 4.558 . 0 0 "[ . 1 . 2]" 1
1171 1 71 VAL H 1 74 ILE MD . . 4.980 4.311 4.164 4.456 . 0 0 "[ . 1 . 2]" 1
1172 1 71 VAL HA 1 71 VAL MG1 . . 3.170 2.340 2.266 2.425 . 0 0 "[ . 1 . 2]" 1
1173 1 71 VAL HA 1 71 VAL MG2 . . 3.130 2.399 2.342 2.443 . 0 0 "[ . 1 . 2]" 1
1174 1 71 VAL HA 1 72 ASP H . . 2.720 2.168 2.152 2.184 . 0 0 "[ . 1 . 2]" 1
1175 1 71 VAL HB 1 72 ASP H . . 4.430 4.106 4.011 4.191 . 0 0 "[ . 1 . 2]" 1
1176 1 71 VAL HB 1 74 ILE MD . . 3.830 2.413 2.155 2.578 . 0 0 "[ . 1 . 2]" 1
1177 1 71 VAL HB 1 81 TRP HE1 . . 4.600 4.428 4.181 4.604 0.004 2 0 "[ . 1 . 2]" 1
1178 1 71 VAL HB 1 83 LEU MD2 . . 4.390 4.080 3.889 4.324 . 0 0 "[ . 1 . 2]" 1
1179 1 71 VAL MG1 1 72 ASP H . . 3.330 2.431 2.131 2.613 . 0 0 "[ . 1 . 2]" 1
1180 1 71 VAL MG1 1 74 ILE H . . 4.890 4.557 4.380 4.768 . 0 0 "[ . 1 . 2]" 1
1181 1 71 VAL MG1 1 74 ILE MD . . 3.140 1.989 1.773 2.372 . 0 0 "[ . 1 . 2]" 1
1182 1 71 VAL MG1 1 74 ILE HG12 . . 4.520 2.629 2.502 2.797 . 0 0 "[ . 1 . 2]" 1
1183 1 71 VAL MG1 1 74 ILE HG13 . . 4.240 2.247 2.050 2.495 . 0 0 "[ . 1 . 2]" 1
1184 1 71 VAL MG1 1 81 TRP HD1 . . 4.160 3.829 3.626 4.016 . 0 0 "[ . 1 . 2]" 1
1185 1 71 VAL MG1 1 81 TRP HE1 . . 2.900 2.544 2.262 2.833 . 0 0 "[ . 1 . 2]" 1
1186 1 71 VAL MG1 1 81 TRP HH2 . . 4.700 3.740 3.532 3.996 . 0 0 "[ . 1 . 2]" 1
1187 1 71 VAL MG1 1 81 TRP HZ2 . . 3.690 2.606 2.409 2.879 . 0 0 "[ . 1 . 2]" 1
1188 1 71 VAL MG1 1 82 ASP H . . 5.500 5.487 5.432 5.508 0.008 3 0 "[ . 1 . 2]" 1
1189 1 71 VAL MG2 1 72 ASP H . . 4.020 4.005 3.962 4.029 0.009 10 0 "[ . 1 . 2]" 1
1190 1 71 VAL MG2 1 74 ILE MD . . 4.190 3.327 3.181 3.442 . 0 0 "[ . 1 . 2]" 1
1191 1 71 VAL MG2 1 81 TRP HD1 . . 4.790 3.054 2.808 3.289 . 0 0 "[ . 1 . 2]" 1
1192 1 71 VAL MG2 1 81 TRP HE1 . . 3.470 2.318 2.176 2.524 . 0 0 "[ . 1 . 2]" 1
1193 1 71 VAL MG2 1 83 LEU HA . . 4.710 3.940 3.740 4.145 . 0 0 "[ . 1 . 2]" 1
1194 1 71 VAL MG2 1 83 LEU MD1 . . 4.500 4.145 3.936 4.434 . 0 0 "[ . 1 . 2]" 1
1195 1 71 VAL MG2 1 83 LEU MD2 . . 2.960 2.193 2.023 2.435 . 0 0 "[ . 1 . 2]" 1
1196 1 72 ASP H 1 72 ASP HB2 . . 3.930 3.490 2.541 3.811 . 0 0 "[ . 1 . 2]" 1
1197 1 72 ASP H 1 72 ASP QB . . 3.370 2.930 2.499 3.121 . 0 0 "[ . 1 . 2]" 1
1198 1 72 ASP H 1 72 ASP HB3 . . 3.930 3.309 2.775 3.824 . 0 0 "[ . 1 . 2]" 1
1199 1 72 ASP H 1 73 GLY H . . 4.700 4.469 4.463 4.478 . 0 0 "[ . 1 . 2]" 1
1200 1 72 ASP QB 1 73 GLY H . . 3.430 2.755 2.705 3.437 0.007 4 0 "[ . 1 . 2]" 1
1201 1 72 ASP HB2 1 73 GLY H . . 4.070 3.058 2.762 4.075 0.005 4 0 "[ . 1 . 2]" 1
1202 1 72 ASP HB3 1 73 GLY H . . 4.070 3.642 2.760 4.003 . 0 0 "[ . 1 . 2]" 1
1203 1 73 GLY H 1 74 ILE H . . 3.690 2.571 2.518 2.607 . 0 0 "[ . 1 . 2]" 1
1204 1 74 ILE H 1 74 ILE HB . . 3.340 2.543 2.478 2.589 . 0 0 "[ . 1 . 2]" 1
1205 1 74 ILE H 1 74 ILE MD . . 4.040 3.926 3.751 4.034 . 0 0 "[ . 1 . 2]" 1
1206 1 74 ILE H 1 74 ILE HG12 . . 4.050 3.959 3.802 4.053 0.003 16 0 "[ . 1 . 2]" 1
1207 1 74 ILE H 1 74 ILE HG13 . . 3.300 2.787 2.681 2.878 . 0 0 "[ . 1 . 2]" 1
1208 1 74 ILE H 1 74 ILE MG . . 3.820 3.802 3.764 3.830 0.010 3 0 "[ . 1 . 2]" 1
1209 1 74 ILE H 1 75 SER H . . 4.650 4.399 4.346 4.444 . 0 0 "[ . 1 . 2]" 1
1210 1 74 ILE HA 1 74 ILE MD . . 3.860 3.823 3.790 3.850 . 0 0 "[ . 1 . 2]" 1
1211 1 74 ILE HA 1 74 ILE HG12 . . 3.830 2.530 2.468 2.601 . 0 0 "[ . 1 . 2]" 1
1212 1 74 ILE HA 1 74 ILE HG13 . . 3.930 2.932 2.795 3.071 . 0 0 "[ . 1 . 2]" 1
1213 1 74 ILE HA 1 74 ILE MG . . 3.280 2.405 2.314 2.483 . 0 0 "[ . 1 . 2]" 1
1214 1 74 ILE HA 1 75 SER H . . 2.940 2.151 2.140 2.164 . 0 0 "[ . 1 . 2]" 1
1215 1 74 ILE HA 1 75 SER QB . . 5.040 4.250 4.041 4.663 . 0 0 "[ . 1 . 2]" 1
1216 1 74 ILE HA 1 81 TRP HE3 . . 4.770 4.529 4.134 4.725 . 0 0 "[ . 1 . 2]" 1
1217 1 74 ILE HB 1 74 ILE MD . . 3.310 2.432 2.366 2.501 . 0 0 "[ . 1 . 2]" 1
1218 1 74 ILE HB 1 75 SER H . . 4.500 4.219 4.146 4.344 . 0 0 "[ . 1 . 2]" 1
1219 1 74 ILE MD 1 74 ILE MG . . 2.950 1.989 1.928 2.170 . 0 0 "[ . 1 . 2]" 1
1220 1 74 ILE MD 1 75 SER H . . 5.200 5.091 5.008 5.199 . 0 0 "[ . 1 . 2]" 1
1221 1 74 ILE MD 1 81 TRP HB2 . . 4.040 3.191 2.996 3.428 . 0 0 "[ . 1 . 2]" 1
1222 1 74 ILE MD 1 81 TRP HB3 . . 4.140 3.964 3.741 4.144 0.004 13 0 "[ . 1 . 2]" 1
1223 1 74 ILE MD 1 81 TRP HD1 . . 4.480 4.206 3.947 4.429 . 0 0 "[ . 1 . 2]" 1
1224 1 74 ILE MD 1 81 TRP HE1 . . 4.310 4.239 3.921 4.315 0.005 17 0 "[ . 1 . 2]" 1
1225 1 74 ILE MD 1 81 TRP HE3 . . 3.650 3.486 3.137 3.642 . 0 0 "[ . 1 . 2]" 1
1226 1 74 ILE MD 1 81 TRP HZ3 . . 4.460 4.268 3.904 4.466 0.006 3 0 "[ . 1 . 2]" 1
1227 1 74 ILE HG12 1 74 ILE MG . . 3.540 2.323 2.229 2.374 . 0 0 "[ . 1 . 2]" 1
1228 1 74 ILE HG12 1 75 SER H . . 4.410 4.318 4.224 4.404 . 0 0 "[ . 1 . 2]" 1
1229 1 74 ILE HG12 1 81 TRP HH2 . . 5.190 3.575 3.216 3.909 . 0 0 "[ . 1 . 2]" 1
1230 1 74 ILE HG13 1 74 ILE MG . . 3.660 3.189 3.181 3.197 . 0 0 "[ . 1 . 2]" 1
1231 1 74 ILE HG13 1 75 SER H . . 5.100 4.976 4.848 5.102 0.002 5 0 "[ . 1 . 2]" 1
1232 1 74 ILE MG 1 75 SER H . . 3.640 2.444 2.297 2.674 . 0 0 "[ . 1 . 2]" 1
1233 1 74 ILE MG 1 75 SER QB . . 4.730 3.597 3.478 3.986 . 0 0 "[ . 1 . 2]" 1
1234 1 74 ILE MG 1 78 HIS H . . 4.160 3.972 3.710 4.098 . 0 0 "[ . 1 . 2]" 1
1235 1 74 ILE MG 1 78 HIS HA . . 5.500 5.026 4.680 5.254 . 0 0 "[ . 1 . 2]" 1
1236 1 74 ILE MG 1 78 HIS QB . . 3.430 2.599 2.171 2.848 . 0 0 "[ . 1 . 2]" 1
1237 1 74 ILE MG 1 78 HIS HD2 . . 4.390 4.209 3.100 4.409 0.019 10 0 "[ . 1 . 2]" 1
1238 1 74 ILE MG 1 80 SER H . . 5.080 4.674 4.468 4.931 . 0 0 "[ . 1 . 2]" 1
1239 1 74 ILE MG 1 81 TRP HA . . 5.500 4.691 4.385 4.994 . 0 0 "[ . 1 . 2]" 1
1240 1 74 ILE MG 1 81 TRP HB2 . . 4.370 3.467 3.053 3.730 . 0 0 "[ . 1 . 2]" 1
1241 1 74 ILE MG 1 81 TRP HE3 . . 3.260 2.619 2.231 2.954 . 0 0 "[ . 1 . 2]" 1
1242 1 74 ILE MG 1 81 TRP HH2 . . 5.150 4.683 4.171 5.062 . 0 0 "[ . 1 . 2]" 1
1243 1 74 ILE MG 1 81 TRP HZ3 . . 3.510 3.099 2.516 3.497 . 0 0 "[ . 1 . 2]" 1
1244 1 75 SER H 1 75 SER HB2 . . 3.690 2.351 2.182 2.885 . 0 0 "[ . 1 . 2]" 1
1245 1 75 SER H 1 75 SER QB . . 3.060 2.300 2.140 2.763 . 0 0 "[ . 1 . 2]" 1
1246 1 75 SER H 1 75 SER HB3 . . 3.690 3.351 2.870 3.594 . 0 0 "[ . 1 . 2]" 1
1247 1 75 SER H 1 76 ARG H . . 4.600 4.578 4.533 4.623 0.023 7 0 "[ . 1 . 2]" 1
1248 1 75 SER H 1 78 HIS HD2 . . 3.890 3.540 2.224 3.891 0.001 8 0 "[ . 1 . 2]" 1
1249 1 75 SER H 1 81 TRP HE3 . . 5.170 5.050 4.722 5.178 0.008 16 0 "[ . 1 . 2]" 1
1250 1 75 SER HA 1 76 ARG H . . 3.010 2.177 2.146 2.264 . 0 0 "[ . 1 . 2]" 1
1251 1 75 SER QB 1 76 ARG H . . 3.840 3.258 2.918 3.650 . 0 0 "[ . 1 . 2]" 1
1252 1 75 SER QB 1 76 ARG QG . . 5.180 4.088 3.705 4.598 . 0 0 "[ . 1 . 2]" 1
1253 1 75 SER QB 1 77 GLU H . . 4.110 2.557 2.245 2.968 . 0 0 "[ . 1 . 2]" 1
1254 1 75 SER QB 1 77 GLU QG . . 4.660 3.798 1.922 4.630 . 0 0 "[ . 1 . 2]" 1
1255 1 75 SER QB 1 78 HIS H . . 4.270 3.328 2.841 3.799 . 0 0 "[ . 1 . 2]" 1
1256 1 75 SER QB 1 78 HIS HD2 . . 3.980 1.992 1.889 2.230 . 0 0 "[ . 1 . 2]" 1
1257 1 75 SER HB2 1 76 ARG H . . 4.470 4.237 3.675 4.424 . 0 0 "[ . 1 . 2]" 1
1258 1 75 SER HB2 1 78 HIS HD2 . . 4.800 2.204 1.995 2.857 . 0 0 "[ . 1 . 2]" 1
1259 1 75 SER HB3 1 76 ARG H . . 4.470 3.397 3.062 3.901 . 0 0 "[ . 1 . 2]" 1
1260 1 75 SER HB3 1 78 HIS HD2 . . 4.800 2.780 1.993 3.721 . 0 0 "[ . 1 . 2]" 1
1261 1 76 ARG H 1 76 ARG HB2 . . 3.670 3.589 3.582 3.595 . 0 0 "[ . 1 . 2]" 1
1262 1 76 ARG H 1 76 ARG QB . . 3.190 2.506 2.380 2.600 . 0 0 "[ . 1 . 2]" 1
1263 1 76 ARG H 1 76 ARG HB3 . . 3.670 2.559 2.416 2.669 . 0 0 "[ . 1 . 2]" 1
1264 1 76 ARG H 1 76 ARG QD . . 4.000 3.753 3.347 4.005 0.005 10 0 "[ . 1 . 2]" 1
1265 1 76 ARG H 1 76 ARG HG2 . . 3.800 2.101 1.906 2.356 . 0 0 "[ . 1 . 2]" 1
1266 1 76 ARG H 1 76 ARG HG3 . . 3.800 3.341 2.831 3.656 . 0 0 "[ . 1 . 2]" 1
1267 1 76 ARG H 1 77 GLU H . . 3.790 2.632 2.540 2.729 . 0 0 "[ . 1 . 2]" 1
1268 1 76 ARG HA 1 76 ARG QD . . 4.410 4.280 4.220 4.412 0.002 15 0 "[ . 1 . 2]" 1
1269 1 76 ARG HA 1 76 ARG HG2 . . 4.090 3.719 3.608 3.835 . 0 0 "[ . 1 . 2]" 1
1270 1 76 ARG HA 1 76 ARG HG3 . . 4.090 3.790 3.669 3.947 . 0 0 "[ . 1 . 2]" 1
1271 1 76 ARG HA 1 78 HIS H . . 3.730 3.401 3.266 3.590 . 0 0 "[ . 1 . 2]" 1
1272 1 76 ARG QB 1 76 ARG QD . . 2.880 2.123 2.053 2.223 . 0 0 "[ . 1 . 2]" 1
1273 1 76 ARG QB 1 78 HIS H . . 5.340 4.593 4.466 4.757 . 0 0 "[ . 1 . 2]" 1
1274 1 76 ARG HB2 1 76 ARG QD . . 3.340 2.460 2.140 2.699 . 0 0 "[ . 1 . 2]" 1
1275 1 76 ARG HB3 1 76 ARG QD . . 3.340 2.351 2.161 2.643 . 0 0 "[ . 1 . 2]" 1
1276 1 76 ARG QD 1 77 GLU H . . 4.820 4.635 4.365 4.818 . 0 0 "[ . 1 . 2]" 1
1277 1 76 ARG QD 1 77 GLU QG . . 5.000 4.305 3.694 4.926 . 0 0 "[ . 1 . 2]" 1
1278 1 76 ARG QG 1 77 GLU H . . 3.050 2.579 2.327 2.774 . 0 0 "[ . 1 . 2]" 1
1279 1 76 ARG QG 1 77 GLU QG . . 3.640 2.669 2.331 3.130 . 0 0 "[ . 1 . 2]" 1
1280 1 76 ARG QG 1 78 HIS H . . 5.340 4.471 4.268 4.585 . 0 0 "[ . 1 . 2]" 1
1281 1 76 ARG HG2 1 77 GLU H . . 3.490 2.929 2.572 3.402 . 0 0 "[ . 1 . 2]" 1
1282 1 76 ARG HG3 1 77 GLU H . . 3.490 2.981 2.388 3.493 0.003 7 0 "[ . 1 . 2]" 1
1283 1 77 GLU H 1 77 GLU HB2 . . 3.980 2.617 2.210 3.561 . 0 0 "[ . 1 . 2]" 1
1284 1 77 GLU H 1 77 GLU QB . . 3.350 2.456 2.187 2.886 . 0 0 "[ . 1 . 2]" 1
1285 1 77 GLU H 1 77 GLU HB3 . . 3.980 3.475 2.956 3.658 . 0 0 "[ . 1 . 2]" 1
1286 1 77 GLU H 1 77 GLU QG . . 3.050 2.619 1.813 3.048 . 0 0 "[ . 1 . 2]" 1
1287 1 77 GLU H 1 78 HIS H . . 2.940 2.621 2.430 2.847 . 0 0 "[ . 1 . 2]" 1
1288 1 77 GLU H 1 78 HIS HA . . 5.330 5.054 4.900 5.153 . 0 0 "[ . 1 . 2]" 1
1289 1 77 GLU H 1 78 HIS QB . . 4.320 4.130 4.016 4.306 . 0 0 "[ . 1 . 2]" 1
1290 1 77 GLU HA 1 77 GLU HG2 . . 3.710 3.072 2.214 3.710 . 0 0 "[ . 1 . 2]" 1
1291 1 77 GLU HA 1 77 GLU HG3 . . 3.710 3.310 2.455 3.721 0.011 17 0 "[ . 1 . 2]" 1
1292 1 77 GLU QB 1 78 HIS H . . 3.740 3.609 3.380 3.764 0.024 10 0 "[ . 1 . 2]" 1
1293 1 77 GLU HB2 1 78 HIS H . . 4.530 3.860 3.600 4.056 . 0 0 "[ . 1 . 2]" 1
1294 1 77 GLU HB3 1 78 HIS H . . 4.530 4.342 4.038 4.508 . 0 0 "[ . 1 . 2]" 1
1295 1 77 GLU QG 1 78 HIS H . . 5.340 4.273 2.846 4.715 . 0 0 "[ . 1 . 2]" 1
1296 1 78 HIS H 1 78 HIS HB2 . . 3.760 2.424 2.296 2.591 . 0 0 "[ . 1 . 2]" 1
1297 1 78 HIS H 1 78 HIS QB . . 2.910 2.387 2.268 2.540 . 0 0 "[ . 1 . 2]" 1
1298 1 78 HIS H 1 78 HIS HB3 . . 3.760 3.586 3.532 3.655 . 0 0 "[ . 1 . 2]" 1
1299 1 78 HIS H 1 78 HIS HD2 . . 4.430 4.128 3.604 4.428 . 0 0 "[ . 1 . 2]" 1
1300 1 78 HIS H 1 79 SER H . . 4.560 4.012 3.828 4.167 . 0 0 "[ . 1 . 2]" 1
1301 1 78 HIS H 1 79 SER QB . . 5.340 5.249 4.982 5.376 0.036 20 0 "[ . 1 . 2]" 1
1302 1 78 HIS H 1 80 SER H . . 5.000 4.957 4.865 5.005 0.005 7 0 "[ . 1 . 2]" 1
1303 1 78 HIS HA 1 79 SER H . . 3.040 2.196 2.157 2.254 . 0 0 "[ . 1 . 2]" 1
1304 1 78 HIS HA 1 80 SER H . . 3.360 3.287 3.182 3.360 0.000 14 0 "[ . 1 . 2]" 1
1305 1 78 HIS QB 1 80 SER H . . 3.280 2.749 2.639 2.903 . 0 0 "[ . 1 . 2]" 1
1306 1 79 SER H 1 79 SER HB2 . . 4.170 3.280 2.189 3.642 . 0 0 "[ . 1 . 2]" 1
1307 1 79 SER H 1 79 SER QB . . 3.600 2.468 2.168 2.748 . 0 0 "[ . 1 . 2]" 1
1308 1 79 SER H 1 79 SER HB3 . . 4.170 2.767 2.354 3.490 . 0 0 "[ . 1 . 2]" 1
1309 1 79 SER H 1 80 SER H . . 2.850 2.721 2.591 2.836 . 0 0 "[ . 1 . 2]" 1
1310 1 80 SER H 1 80 SER QB . . 3.300 3.220 3.186 3.244 . 0 0 "[ . 1 . 2]" 1
1311 1 80 SER H 1 81 TRP H . . 4.520 4.387 4.329 4.408 . 0 0 "[ . 1 . 2]" 1
1312 1 80 SER HA 1 81 TRP H . . 3.180 2.370 2.273 2.451 . 0 0 "[ . 1 . 2]" 1
1313 1 80 SER QB 1 81 TRP H . . 3.110 2.480 2.297 2.716 . 0 0 "[ . 1 . 2]" 1
1314 1 80 SER QB 1 81 TRP HB2 . . 5.500 5.046 4.961 5.141 . 0 0 "[ . 1 . 2]" 1
1315 1 81 TRP H 1 81 TRP HB2 . . 3.650 3.260 3.153 3.341 . 0 0 "[ . 1 . 2]" 1
1316 1 81 TRP H 1 81 TRP HB3 . . 3.540 2.958 2.915 3.003 . 0 0 "[ . 1 . 2]" 1
1317 1 81 TRP H 1 82 ASP H . . 4.380 4.358 4.323 4.389 0.009 20 0 "[ . 1 . 2]" 1
1318 1 81 TRP H 1 82 ASP HA . . 4.820 4.672 4.642 4.723 . 0 0 "[ . 1 . 2]" 1
1319 1 81 TRP HA 1 81 TRP HZ3 . . 5.070 4.884 4.721 5.062 . 0 0 "[ . 1 . 2]" 1
1320 1 81 TRP HA 1 82 ASP H . . 2.860 2.287 2.251 2.321 . 0 0 "[ . 1 . 2]" 1
1321 1 81 TRP HB2 1 81 TRP HE3 . . 4.130 2.731 2.650 2.814 . 0 0 "[ . 1 . 2]" 1
1322 1 81 TRP HB2 1 81 TRP HZ3 . . 5.150 5.083 5.017 5.150 0.000 14 0 "[ . 1 . 2]" 1
1323 1 81 TRP HB2 1 82 ASP H . . 4.330 4.019 3.947 4.068 . 0 0 "[ . 1 . 2]" 1
1324 1 81 TRP HB2 1 83 LEU MD2 . . 5.500 4.904 4.657 5.170 . 0 0 "[ . 1 . 2]" 1
1325 1 81 TRP HB2 1 96 VAL MG2 . . 5.500 5.029 4.585 5.403 . 0 0 "[ . 1 . 2]" 1
1326 1 81 TRP HB3 1 81 TRP HD1 . . 3.800 2.589 2.565 2.620 . 0 0 "[ . 1 . 2]" 1
1327 1 81 TRP HB3 1 82 ASP H . . 4.080 3.740 3.602 3.834 . 0 0 "[ . 1 . 2]" 1
1328 1 81 TRP HD1 1 82 ASP H . . 4.380 3.575 3.368 3.748 . 0 0 "[ . 1 . 2]" 1
1329 1 81 TRP HD1 1 83 LEU H . . 4.560 3.512 3.355 3.748 . 0 0 "[ . 1 . 2]" 1
1330 1 81 TRP HD1 1 83 LEU HA . . 4.310 3.215 3.082 3.342 . 0 0 "[ . 1 . 2]" 1
1331 1 81 TRP HD1 1 83 LEU MD1 . . 4.530 4.043 3.925 4.246 . 0 0 "[ . 1 . 2]" 1
1332 1 81 TRP HD1 1 83 LEU MD2 . . 3.190 1.984 1.848 2.073 . 0 0 "[ . 1 . 2]" 1
1333 1 81 TRP HD1 1 83 LEU HG . . 3.890 2.754 2.520 3.018 . 0 0 "[ . 1 . 2]" 1
1334 1 81 TRP HD1 1 84 VAL H . . 5.500 5.353 5.223 5.485 . 0 0 "[ . 1 . 2]" 1
1335 1 81 TRP HE1 1 82 ASP H . . 4.380 4.297 4.139 4.385 0.005 14 0 "[ . 1 . 2]" 1
1336 1 81 TRP HE1 1 83 LEU HA . . 3.970 3.192 2.917 3.458 . 0 0 "[ . 1 . 2]" 1
1337 1 81 TRP HE1 1 83 LEU MD1 . . 5.500 5.479 5.360 5.518 0.018 10 0 "[ . 1 . 2]" 1
1338 1 81 TRP HE1 1 83 LEU MD2 . . 3.820 2.829 2.614 3.117 . 0 0 "[ . 1 . 2]" 1
1339 1 81 TRP HE1 1 84 VAL H . . 4.910 4.567 4.300 4.850 . 0 0 "[ . 1 . 2]" 1
1340 1 81 TRP HE3 1 82 ASP H . . 4.880 4.057 3.834 4.307 . 0 0 "[ . 1 . 2]" 1
1341 1 82 ASP H 1 82 ASP HB2 . . 3.830 3.207 2.564 3.652 . 0 0 "[ . 1 . 2]" 1
1342 1 82 ASP H 1 82 ASP QB . . 3.030 2.877 2.522 3.077 0.047 14 0 "[ . 1 . 2]" 1
1343 1 82 ASP H 1 82 ASP HB3 . . 3.830 3.509 3.247 3.808 . 0 0 "[ . 1 . 2]" 1
1344 1 82 ASP H 1 83 LEU H . . 4.410 4.061 3.979 4.128 . 0 0 "[ . 1 . 2]" 1
1345 1 82 ASP H 1 84 VAL MG1 . . 5.500 5.224 5.125 5.462 . 0 0 "[ . 1 . 2]" 1
1346 1 82 ASP HA 1 83 LEU H . . 2.870 2.186 2.168 2.202 . 0 0 "[ . 1 . 2]" 1
1347 1 82 ASP HA 1 83 LEU HB2 . . 5.250 4.650 4.576 4.703 . 0 0 "[ . 1 . 2]" 1
1348 1 82 ASP HA 1 83 LEU MD2 . . 5.500 4.865 4.672 5.077 . 0 0 "[ . 1 . 2]" 1
1349 1 82 ASP HA 1 83 LEU HG . . 4.180 3.986 3.879 4.096 . 0 0 "[ . 1 . 2]" 1
1350 1 82 ASP HA 1 84 VAL MG1 . . 5.500 4.731 4.618 4.907 . 0 0 "[ . 1 . 2]" 1
1351 1 82 ASP QB 1 83 LEU H . . 3.670 3.617 3.565 3.658 . 0 0 "[ . 1 . 2]" 1
1352 1 82 ASP QB 1 84 VAL MG1 . . 3.890 3.281 3.179 3.453 . 0 0 "[ . 1 . 2]" 1
1353 1 82 ASP QB 1 84 VAL MG2 . . 5.330 5.039 4.623 5.212 . 0 0 "[ . 1 . 2]" 1
1354 1 82 ASP HB2 1 84 VAL MG1 . . 4.720 3.496 3.232 4.033 . 0 0 "[ . 1 . 2]" 1
1355 1 82 ASP HB3 1 84 VAL MG1 . . 4.720 4.327 3.495 4.737 0.017 10 0 "[ . 1 . 2]" 1
1356 1 83 LEU H 1 83 LEU HB2 . . 3.380 2.542 2.477 2.589 . 0 0 "[ . 1 . 2]" 1
1357 1 83 LEU H 1 83 LEU MD1 . . 3.930 3.459 3.268 3.602 . 0 0 "[ . 1 . 2]" 1
1358 1 83 LEU H 1 83 LEU MD2 . . 3.990 3.413 3.290 3.583 . 0 0 "[ . 1 . 2]" 1
1359 1 83 LEU H 1 83 LEU HG . . 3.050 2.167 2.079 2.278 . 0 0 "[ . 1 . 2]" 1
1360 1 83 LEU H 1 84 VAL H . . 4.680 4.610 4.570 4.631 . 0 0 "[ . 1 . 2]" 1
1361 1 83 LEU H 1 86 LEU MD1 . . 4.880 4.695 4.365 4.862 . 0 0 "[ . 1 . 2]" 1
1362 1 83 LEU HA 1 83 LEU MD1 . . 4.060 3.930 3.891 3.957 . 0 0 "[ . 1 . 2]" 1
1363 1 83 LEU HA 1 83 LEU MD2 . . 3.080 2.175 1.976 2.508 . 0 0 "[ . 1 . 2]" 1
1364 1 83 LEU HA 1 84 VAL H . . 2.730 2.230 2.171 2.285 . 0 0 "[ . 1 . 2]" 1
1365 1 83 LEU HA 1 84 VAL MG2 . . 3.720 3.656 3.355 3.722 0.002 11 0 "[ . 1 . 2]" 1
1366 1 83 LEU HB2 1 83 LEU MD1 . . 3.120 2.144 2.035 2.245 . 0 0 "[ . 1 . 2]" 1
1367 1 83 LEU HB2 1 84 VAL H . . 4.660 3.905 3.795 4.077 . 0 0 "[ . 1 . 2]" 1
1368 1 83 LEU HB2 1 86 LEU MD1 . . 3.310 2.589 2.320 2.851 . 0 0 "[ . 1 . 2]" 1
1369 1 83 LEU HB3 1 83 LEU MD1 . . 3.340 2.531 2.451 2.638 . 0 0 "[ . 1 . 2]" 1
1370 1 83 LEU HB3 1 83 LEU MD2 . . 3.190 2.282 2.087 2.404 . 0 0 "[ . 1 . 2]" 1
1371 1 83 LEU HB3 1 84 VAL H . . 3.890 2.905 2.718 3.141 . 0 0 "[ . 1 . 2]" 1
1372 1 83 LEU HB3 1 84 VAL MG2 . . 4.850 4.749 4.570 4.856 0.006 11 0 "[ . 1 . 2]" 1
1373 1 83 LEU HB3 1 86 LEU MD1 . . 3.440 2.960 2.696 3.301 . 0 0 "[ . 1 . 2]" 1
1374 1 83 LEU HB3 1 86 LEU MD2 . . 3.850 3.231 2.866 3.479 . 0 0 "[ . 1 . 2]" 1
1375 1 83 LEU MD1 1 84 VAL H . . 5.160 4.911 4.710 5.104 . 0 0 "[ . 1 . 2]" 1
1376 1 83 LEU MD1 1 86 LEU MD1 . . 3.300 2.750 2.379 3.045 . 0 0 "[ . 1 . 2]" 1
1377 1 83 LEU MD1 1 86 LEU MD2 . . 3.710 3.373 2.588 3.674 . 0 0 "[ . 1 . 2]" 1
1378 1 83 LEU MD1 1 94 VAL HA . . 4.810 4.002 3.803 4.099 . 0 0 "[ . 1 . 2]" 1
1379 1 83 LEU MD1 1 94 VAL HB . . 4.560 4.097 3.843 4.345 . 0 0 "[ . 1 . 2]" 1
1380 1 83 LEU MD1 1 94 VAL MG1 . . 3.340 2.301 1.913 2.546 . 0 0 "[ . 1 . 2]" 1
1381 1 83 LEU MD1 1 94 VAL MG2 . . 3.450 2.027 1.814 2.230 . 0 0 "[ . 1 . 2]" 1
1382 1 83 LEU MD1 1 113 VAL MG2 . . 4.680 4.456 4.144 4.656 . 0 0 "[ . 1 . 2]" 1
1383 1 83 LEU MD2 1 84 VAL H . . 3.710 3.571 3.304 3.678 . 0 0 "[ . 1 . 2]" 1
1384 1 83 LEU MD2 1 86 LEU MD1 . . 4.990 4.226 3.952 4.458 . 0 0 "[ . 1 . 2]" 1
1385 1 83 LEU MD2 1 86 LEU MD2 . . 5.350 4.047 3.640 4.388 . 0 0 "[ . 1 . 2]" 1
1386 1 83 LEU HG 1 86 LEU MD1 . . 4.900 4.573 4.168 4.845 . 0 0 "[ . 1 . 2]" 1
1387 1 84 VAL H 1 84 VAL HB . . 4.060 3.882 3.831 3.913 . 0 0 "[ . 1 . 2]" 1
1388 1 84 VAL H 1 84 VAL MG1 . . 3.470 2.996 2.855 3.265 . 0 0 "[ . 1 . 2]" 1
1389 1 84 VAL H 1 84 VAL MG2 . . 2.810 2.145 2.031 2.296 . 0 0 "[ . 1 . 2]" 1
1390 1 84 VAL H 1 85 GLY H . . 4.340 4.257 4.192 4.338 . 0 0 "[ . 1 . 2]" 1
1391 1 84 VAL H 1 86 LEU MD1 . . 5.180 4.593 4.362 4.838 . 0 0 "[ . 1 . 2]" 1
1392 1 84 VAL H 1 86 LEU MD2 . . 5.500 4.395 4.165 4.695 . 0 0 "[ . 1 . 2]" 1
1393 1 84 VAL HB 1 85 GLY H . . 3.290 3.205 2.997 3.297 0.007 15 0 "[ . 1 . 2]" 1
1394 1 84 VAL MG1 1 85 GLY H . . 4.330 3.969 3.708 4.045 . 0 0 "[ . 1 . 2]" 1
1395 1 84 VAL MG1 1 85 GLY QA . . 5.100 4.930 4.821 4.963 . 0 0 "[ . 1 . 2]" 1
1396 1 84 VAL MG2 1 85 GLY H . . 4.010 3.942 3.799 4.002 . 0 0 "[ . 1 . 2]" 1
1397 1 84 VAL MG2 1 85 GLY QA . . 4.280 3.697 3.552 3.795 . 0 0 "[ . 1 . 2]" 1
1398 1 84 VAL MG2 1 86 LEU MD2 . . 5.500 5.280 5.160 5.507 0.007 10 0 "[ . 1 . 2]" 1
1399 1 85 GLY H 1 86 LEU H . . 3.400 2.255 2.091 2.482 . 0 0 "[ . 1 . 2]" 1
1400 1 85 GLY H 1 86 LEU MD1 . . 5.150 4.293 4.092 4.524 . 0 0 "[ . 1 . 2]" 1
1401 1 85 GLY H 1 86 LEU MD2 . . 5.500 4.329 4.059 4.531 . 0 0 "[ . 1 . 2]" 1
1402 1 85 GLY H 1 86 LEU HG . . 3.920 3.166 2.948 3.408 . 0 0 "[ . 1 . 2]" 1
1403 1 86 LEU H 1 86 LEU HB2 . . 3.220 2.800 2.668 2.916 . 0 0 "[ . 1 . 2]" 1
1404 1 86 LEU H 1 86 LEU MD1 . . 4.340 3.836 3.562 3.994 . 0 0 "[ . 1 . 2]" 1
1405 1 86 LEU H 1 86 LEU MD2 . . 3.810 3.675 3.534 3.753 . 0 0 "[ . 1 . 2]" 1
1406 1 86 LEU H 1 86 LEU HG . . 3.020 2.616 2.465 2.771 . 0 0 "[ . 1 . 2]" 1
1407 1 86 LEU HA 1 86 LEU MD1 . . 4.340 3.970 3.914 4.009 . 0 0 "[ . 1 . 2]" 1
1408 1 86 LEU HA 1 86 LEU MD2 . . 2.960 2.265 2.124 2.477 . 0 0 "[ . 1 . 2]" 1
1409 1 86 LEU HA 1 87 GLU H . . 3.290 2.492 2.323 2.629 . 0 0 "[ . 1 . 2]" 1
1410 1 86 LEU HB2 1 87 GLU H . . 3.660 3.200 2.909 3.515 . 0 0 "[ . 1 . 2]" 1
1411 1 86 LEU HB3 1 86 LEU MD1 . . 3.600 2.472 2.373 2.589 . 0 0 "[ . 1 . 2]" 1
1412 1 86 LEU HB3 1 86 LEU MD2 . . 3.440 2.254 2.111 2.355 . 0 0 "[ . 1 . 2]" 1
1413 1 86 LEU HB3 1 87 GLU H . . 3.440 2.347 2.074 2.699 . 0 0 "[ . 1 . 2]" 1
1414 1 86 LEU MD1 1 92 TYR QD . . 4.670 3.563 3.400 3.893 . 0 0 "[ . 1 . 2]" 1
1415 1 86 LEU MD1 1 92 TYR QE . . 4.610 4.130 3.889 4.442 . 0 0 "[ . 1 . 2]" 1
1416 1 86 LEU MD1 1 113 VAL MG2 . . 4.350 4.179 4.023 4.349 . 0 0 "[ . 1 . 2]" 1
1417 1 86 LEU MD1 1 115 THR MG . . 3.120 2.941 2.787 3.112 . 0 0 "[ . 1 . 2]" 1
1418 1 86 LEU MD2 1 87 GLU H . . 3.800 3.691 3.532 3.807 0.007 17 0 "[ . 1 . 2]" 1
1419 1 86 LEU MD2 1 92 TYR QD . . 4.410 3.314 2.911 3.552 . 0 0 "[ . 1 . 2]" 1
1420 1 86 LEU MD2 1 92 TYR QE . . 4.820 3.144 2.825 3.435 . 0 0 "[ . 1 . 2]" 1
1421 1 87 GLU H 1 87 GLU HA . . 2.930 2.870 2.801 2.913 . 0 0 "[ . 1 . 2]" 1
1422 1 87 GLU H 1 87 GLU HB2 . . 3.590 2.371 2.236 2.528 . 0 0 "[ . 1 . 2]" 1
1423 1 87 GLU H 1 87 GLU HB3 . . 3.590 2.772 2.556 2.867 . 0 0 "[ . 1 . 2]" 1
1424 1 87 GLU H 1 87 GLU HG2 . . 4.680 4.584 4.222 4.670 . 0 0 "[ . 1 . 2]" 1
1425 1 87 GLU H 1 87 GLU HG3 . . 4.680 4.495 4.189 4.626 . 0 0 "[ . 1 . 2]" 1
1426 1 87 GLU H 1 90 THR MG . . 4.770 4.465 4.026 4.752 . 0 0 "[ . 1 . 2]" 1
1427 1 87 GLU H 1 92 TYR QE . . 4.100 2.473 2.068 2.785 . 0 0 "[ . 1 . 2]" 1
1428 1 87 GLU HA 1 87 GLU HG2 . . 4.060 3.419 2.177 3.734 . 0 0 "[ . 1 . 2]" 1
1429 1 87 GLU HA 1 87 GLU HG3 . . 4.060 2.806 2.277 3.577 . 0 0 "[ . 1 . 2]" 1
1430 1 87 GLU HA 1 88 LYS H . . 2.730 2.379 2.290 2.473 . 0 0 "[ . 1 . 2]" 1
1431 1 87 GLU QB 1 88 LYS H . . 3.350 3.184 2.967 3.345 . 0 0 "[ . 1 . 2]" 1
1432 1 87 GLU QB 1 90 THR HB . . 3.810 2.167 1.997 2.302 . 0 0 "[ . 1 . 2]" 1
1433 1 87 GLU HB2 1 88 LYS H . . 4.190 3.981 3.891 4.135 . 0 0 "[ . 1 . 2]" 1
1434 1 87 GLU HB2 1 90 THR HB . . 4.460 3.795 3.542 4.011 . 0 0 "[ . 1 . 2]" 1
1435 1 87 GLU HB2 1 90 THR MG . . 4.110 3.844 3.492 4.050 . 0 0 "[ . 1 . 2]" 1
1436 1 87 GLU HB3 1 88 LYS H . . 4.190 3.354 3.076 3.647 . 0 0 "[ . 1 . 2]" 1
1437 1 87 GLU HB3 1 90 THR HB . . 4.460 2.180 2.006 2.319 . 0 0 "[ . 1 . 2]" 1
1438 1 87 GLU HB3 1 90 THR MG . . 4.110 3.037 2.785 3.312 . 0 0 "[ . 1 . 2]" 1
1439 1 87 GLU QG 1 88 LYS H . . 3.520 2.049 1.868 2.912 . 0 0 "[ . 1 . 2]" 1
1440 1 87 GLU HG2 1 88 LYS H . . 4.010 3.293 1.904 3.734 . 0 0 "[ . 1 . 2]" 1
1441 1 87 GLU HG3 1 88 LYS H . . 4.010 2.265 1.892 3.983 . 0 0 "[ . 1 . 2]" 1
1442 1 88 LYS H 1 88 LYS HB2 . . 3.200 2.622 2.448 2.754 . 0 0 "[ . 1 . 2]" 1
1443 1 88 LYS H 1 88 LYS HB3 . . 4.010 3.670 3.620 3.726 . 0 0 "[ . 1 . 2]" 1
1444 1 88 LYS H 1 88 LYS QD . . 4.300 3.424 1.862 4.097 . 0 0 "[ . 1 . 2]" 1
1445 1 88 LYS H 1 88 LYS QE . . 4.300 3.846 2.807 4.303 0.003 2 0 "[ . 1 . 2]" 1
1446 1 88 LYS H 1 88 LYS HG2 . . 3.960 3.713 3.410 4.017 0.057 8 0 "[ . 1 . 2]" 1
1447 1 88 LYS H 1 88 LYS QG . . 3.120 2.349 2.026 2.918 . 0 0 "[ . 1 . 2]" 1
1448 1 88 LYS H 1 88 LYS HG3 . . 3.960 2.378 2.042 3.004 . 0 0 "[ . 1 . 2]" 1
1449 1 88 LYS H 1 89 TRP H . . 4.580 4.540 4.491 4.588 0.008 15 0 "[ . 1 . 2]" 1
1450 1 88 LYS H 1 90 THR HB . . 4.720 4.606 4.373 4.742 0.022 7 0 "[ . 1 . 2]" 1
1451 1 88 LYS H 1 115 THR HG1 . . 4.670 4.259 4.014 4.426 . 0 0 "[ . 1 . 2]" 1
1452 1 88 LYS HA 1 89 TRP H . . 3.190 2.203 2.166 2.248 . 0 0 "[ . 1 . 2]" 1
1453 1 88 LYS HA 1 90 THR H . . 4.050 3.827 3.656 3.924 . 0 0 "[ . 1 . 2]" 1
1454 1 88 LYS HA 1 115 THR MG . . 4.770 3.728 3.392 4.000 . 0 0 "[ . 1 . 2]" 1
1455 1 88 LYS HB2 1 88 LYS QE . . 3.990 3.680 2.352 4.014 0.024 8 0 "[ . 1 . 2]" 1
1456 1 88 LYS HB2 1 89 TRP H . . 4.110 3.919 3.747 4.025 . 0 0 "[ . 1 . 2]" 1
1457 1 88 LYS HB3 1 88 LYS QE . . 4.810 4.107 3.589 4.450 . 0 0 "[ . 1 . 2]" 1
1458 1 88 LYS HB3 1 89 TRP H . . 3.660 3.040 2.893 3.223 . 0 0 "[ . 1 . 2]" 1
1459 1 88 LYS HB3 1 89 TRP HA . . 5.280 4.899 4.779 5.018 . 0 0 "[ . 1 . 2]" 1
1460 1 88 LYS HB3 1 90 THR H . . 5.500 5.478 5.293 5.514 0.014 15 0 "[ . 1 . 2]" 1
1461 1 88 LYS HB3 1 118 ASP H . . 4.940 3.843 2.952 4.690 . 0 0 "[ . 1 . 2]" 1
1462 1 88 LYS HB3 1 118 ASP QB . . 4.160 3.419 2.813 3.949 . 0 0 "[ . 1 . 2]" 1
1463 1 88 LYS QD 1 118 ASP HA . . 4.650 4.168 2.283 4.682 0.032 17 0 "[ . 1 . 2]" 1
1464 1 88 LYS QD 1 118 ASP HB2 . . 4.440 2.892 2.474 3.636 . 0 0 "[ . 1 . 2]" 1
1465 1 88 LYS QD 1 118 ASP QB . . 3.670 2.836 2.439 3.447 . 0 0 "[ . 1 . 2]" 1
1466 1 88 LYS QD 1 118 ASP HB3 . . 4.440 4.150 3.635 4.444 0.004 10 0 "[ . 1 . 2]" 1
1467 1 88 LYS QE 1 88 LYS HG2 . . 3.250 2.683 2.263 3.263 0.013 19 0 "[ . 1 . 2]" 1
1468 1 88 LYS QE 1 88 LYS HG3 . . 3.250 2.294 2.104 2.547 . 0 0 "[ . 1 . 2]" 1
1469 1 88 LYS QG 1 89 TRP H . . 4.350 4.224 4.017 4.344 . 0 0 "[ . 1 . 2]" 1
1470 1 88 LYS HG2 1 89 TRP H . . 5.120 4.631 4.321 5.144 0.024 17 0 "[ . 1 . 2]" 1
1471 1 88 LYS HG3 1 89 TRP H . . 5.120 4.926 4.555 5.117 . 0 0 "[ . 1 . 2]" 1
1472 1 89 TRP H 1 89 TRP HB2 . . 3.980 3.004 2.908 3.091 . 0 0 "[ . 1 . 2]" 1
1473 1 89 TRP H 1 89 TRP QB . . 3.440 2.899 2.817 2.981 . 0 0 "[ . 1 . 2]" 1
1474 1 89 TRP H 1 89 TRP HB3 . . 3.980 3.813 3.770 3.917 . 0 0 "[ . 1 . 2]" 1
1475 1 89 TRP H 1 89 TRP HD1 . . 4.210 3.933 3.771 4.000 . 0 0 "[ . 1 . 2]" 1
1476 1 89 TRP H 1 90 THR H . . 3.400 2.812 2.646 2.983 . 0 0 "[ . 1 . 2]" 1
1477 1 89 TRP H 1 115 THR H . . 4.340 4.256 3.857 4.345 0.005 14 0 "[ . 1 . 2]" 1
1478 1 89 TRP H 1 115 THR HB . . 3.760 2.784 2.363 3.120 . 0 0 "[ . 1 . 2]" 1
1479 1 89 TRP H 1 115 THR HG1 . . 3.440 2.195 1.898 2.782 . 0 0 "[ . 1 . 2]" 1
1480 1 89 TRP H 1 115 THR MG . . 4.250 3.993 3.819 4.259 0.009 7 0 "[ . 1 . 2]" 1
1481 1 89 TRP H 1 116 ASP H . . 4.600 4.181 3.804 4.458 . 0 0 "[ . 1 . 2]" 1
1482 1 89 TRP H 1 117 GLU HA . . 4.200 3.638 3.260 4.128 . 0 0 "[ . 1 . 2]" 1
1483 1 89 TRP HA 1 89 TRP HD1 . . 3.540 2.077 1.950 2.411 . 0 0 "[ . 1 . 2]" 1
1484 1 89 TRP HA 1 89 TRP HE3 . . 5.190 5.078 4.870 5.138 . 0 0 "[ . 1 . 2]" 1
1485 1 89 TRP HA 1 90 THR H . . 3.170 2.712 2.637 2.799 . 0 0 "[ . 1 . 2]" 1
1486 1 89 TRP QB 1 117 GLU HA . . 3.360 1.985 1.943 2.011 . 0 0 "[ . 1 . 2]" 1
1487 1 89 TRP QB 1 117 GLU QB . . 4.370 3.176 2.758 3.946 . 0 0 "[ . 1 . 2]" 1
1488 1 89 TRP QB 1 117 GLU QG . . 4.870 4.114 2.472 4.719 . 0 0 "[ . 1 . 2]" 1
1489 1 89 TRP HB2 1 117 GLU HA . . 3.930 1.994 1.951 2.022 . 0 0 "[ . 1 . 2]" 1
1490 1 89 TRP HB3 1 117 GLU HA . . 3.930 3.668 3.483 3.768 . 0 0 "[ . 1 . 2]" 1
1491 1 89 TRP HD1 1 90 THR H . . 5.010 4.684 4.461 5.013 0.003 15 0 "[ . 1 . 2]" 1
1492 1 89 TRP HD1 1 114 ARG HD2 . . 4.710 3.936 2.965 4.593 . 0 0 "[ . 1 . 2]" 1
1493 1 89 TRP HD1 1 114 ARG QD . . 4.030 2.822 2.424 3.254 . 0 0 "[ . 1 . 2]" 1
1494 1 89 TRP HD1 1 114 ARG HD3 . . 4.710 3.154 2.455 4.697 . 0 0 "[ . 1 . 2]" 1
1495 1 89 TRP HD1 1 114 ARG HG2 . . 4.820 2.822 2.447 3.241 . 0 0 "[ . 1 . 2]" 1
1496 1 89 TRP HD1 1 114 ARG HG3 . . 4.820 3.774 3.198 4.219 . 0 0 "[ . 1 . 2]" 1
1497 1 89 TRP HD1 1 116 ASP HA . . 4.440 3.886 3.624 4.095 . 0 0 "[ . 1 . 2]" 1
1498 1 89 TRP HD1 1 117 GLU H . . 3.820 3.672 3.264 3.836 0.016 3 0 "[ . 1 . 2]" 1
1499 1 89 TRP HD1 1 117 GLU HA . . 4.420 3.194 2.421 3.415 . 0 0 "[ . 1 . 2]" 1
1500 1 89 TRP HD1 1 117 GLU QB . . 4.270 2.880 2.500 4.038 . 0 0 "[ . 1 . 2]" 1
1501 1 89 TRP HD1 1 117 GLU QG . . 4.900 4.425 2.504 4.913 0.013 17 0 "[ . 1 . 2]" 1
1502 1 89 TRP HD1 1 118 ASP H . . 5.500 5.335 4.767 5.520 0.020 7 0 "[ . 1 . 2]" 1
1503 1 89 TRP HE1 1 114 ARG HD2 . . 4.290 3.564 2.569 4.245 . 0 0 "[ . 1 . 2]" 1
1504 1 89 TRP HE1 1 114 ARG QD . . 3.430 2.479 2.064 3.059 . 0 0 "[ . 1 . 2]" 1
1505 1 89 TRP HE1 1 114 ARG HD3 . . 4.290 2.807 2.077 4.300 0.010 17 0 "[ . 1 . 2]" 1
1506 1 89 TRP HE1 1 114 ARG QG . . 4.610 3.903 3.713 4.137 . 0 0 "[ . 1 . 2]" 1
1507 1 89 TRP HE1 1 116 ASP HA . . 5.500 5.445 4.995 5.509 0.009 17 0 "[ . 1 . 2]" 1
1508 1 89 TRP HE1 1 117 GLU H . . 4.850 4.758 4.607 4.863 0.013 10 0 "[ . 1 . 2]" 1
1509 1 89 TRP HE1 1 117 GLU HA . . 5.270 4.768 3.967 5.160 . 0 0 "[ . 1 . 2]" 1
1510 1 89 TRP HE1 1 117 GLU QB . . 4.610 3.010 2.508 4.514 . 0 0 "[ . 1 . 2]" 1
1511 1 89 TRP HE1 1 117 GLU QG . . 5.500 4.256 2.297 4.831 . 0 0 "[ . 1 . 2]" 1
1512 1 89 TRP HE3 1 117 GLU QG . . 5.500 5.092 3.453 5.552 0.052 17 0 "[ . 1 . 2]" 1
1513 1 90 THR H 1 90 THR HB . . 3.320 2.804 2.693 2.892 . 0 0 "[ . 1 . 2]" 1
1514 1 90 THR H 1 90 THR MG . . 4.120 3.889 3.773 3.950 . 0 0 "[ . 1 . 2]" 1
1515 1 90 THR H 1 91 GLU H . . 4.510 4.318 4.225 4.410 . 0 0 "[ . 1 . 2]" 1
1516 1 90 THR H 1 92 TYR QE . . 4.600 4.205 4.020 4.464 . 0 0 "[ . 1 . 2]" 1
1517 1 90 THR H 1 114 ARG HA . . 4.280 3.959 3.721 4.101 . 0 0 "[ . 1 . 2]" 1
1518 1 90 THR H 1 114 ARG QB . . 5.340 5.181 5.016 5.342 0.002 7 0 "[ . 1 . 2]" 1
1519 1 90 THR H 1 114 ARG HG2 . . 4.400 4.067 3.546 4.407 0.007 17 0 "[ . 1 . 2]" 1
1520 1 90 THR H 1 114 ARG HG3 . . 4.400 3.988 3.748 4.400 0.000 20 0 "[ . 1 . 2]" 1
1521 1 90 THR H 1 115 THR H . . 3.290 2.894 2.756 3.056 . 0 0 "[ . 1 . 2]" 1
1522 1 90 THR H 1 115 THR HB . . 4.270 3.975 3.724 4.160 . 0 0 "[ . 1 . 2]" 1
1523 1 90 THR H 1 115 THR HG1 . . 3.110 2.289 2.033 2.495 . 0 0 "[ . 1 . 2]" 1
1524 1 90 THR H 1 115 THR MG . . 3.930 3.678 3.444 3.949 0.019 17 0 "[ . 1 . 2]" 1
1525 1 90 THR HA 1 90 THR MG . . 3.410 2.406 2.264 2.559 . 0 0 "[ . 1 . 2]" 1
1526 1 90 THR HA 1 91 GLU H . . 2.900 2.200 2.164 2.254 . 0 0 "[ . 1 . 2]" 1
1527 1 90 THR HB 1 91 GLU H . . 4.840 4.070 3.893 4.227 . 0 0 "[ . 1 . 2]" 1
1528 1 90 THR HB 1 92 TYR QE . . 3.960 2.233 2.026 2.505 . 0 0 "[ . 1 . 2]" 1
1529 1 90 THR HB 1 115 THR H . . 4.980 4.940 4.853 4.993 0.013 7 0 "[ . 1 . 2]" 1
1530 1 90 THR HB 1 115 THR MG . . 4.820 4.504 4.212 4.764 . 0 0 "[ . 1 . 2]" 1
1531 1 90 THR MG 1 91 GLU H . . 3.290 2.154 1.934 2.394 . 0 0 "[ . 1 . 2]" 1
1532 1 90 THR MG 1 92 TYR QD . . 4.060 3.258 2.751 3.629 . 0 0 "[ . 1 . 2]" 1
1533 1 90 THR MG 1 92 TYR QE . . 4.400 2.657 2.222 3.029 . 0 0 "[ . 1 . 2]" 1
1534 1 91 GLU H 1 91 GLU HB2 . . 3.650 2.369 2.253 2.761 . 0 0 "[ . 1 . 2]" 1
1535 1 91 GLU H 1 91 GLU QB . . 3.070 2.219 2.173 2.261 . 0 0 "[ . 1 . 2]" 1
1536 1 91 GLU H 1 91 GLU HB3 . . 3.650 2.744 2.359 2.864 . 0 0 "[ . 1 . 2]" 1
1537 1 91 GLU H 1 91 GLU QG . . 4.400 3.970 3.893 4.062 . 0 0 "[ . 1 . 2]" 1
1538 1 91 GLU H 1 92 TYR H . . 4.640 4.605 4.552 4.620 . 0 0 "[ . 1 . 2]" 1
1539 1 91 GLU H 1 114 ARG HA . . 4.830 4.217 4.096 4.389 . 0 0 "[ . 1 . 2]" 1
1540 1 91 GLU H 1 114 ARG QG . . 5.340 4.124 3.399 4.448 . 0 0 "[ . 1 . 2]" 1
1541 1 91 GLU QB 1 92 TYR H . . 3.810 3.491 3.403 3.622 . 0 0 "[ . 1 . 2]" 1
1542 1 91 GLU QG 1 92 TYR H . . 3.320 2.480 2.269 3.253 . 0 0 "[ . 1 . 2]" 1
1543 1 91 GLU QG 1 112 LEU HA . . 4.160 2.988 2.820 3.588 . 0 0 "[ . 1 . 2]" 1
1544 1 91 GLU QG 1 112 LEU HB2 . . 4.490 3.858 3.541 4.186 . 0 0 "[ . 1 . 2]" 1
1545 1 91 GLU QG 1 112 LEU HB3 . . 4.490 2.410 2.089 2.697 . 0 0 "[ . 1 . 2]" 1
1546 1 91 GLU QG 1 112 LEU MD1 . . 3.890 3.557 2.925 3.880 . 0 0 "[ . 1 . 2]" 1
1547 1 91 GLU QG 1 112 LEU MD2 . . 3.090 2.605 2.036 2.989 . 0 0 "[ . 1 . 2]" 1
1548 1 91 GLU QG 1 113 VAL H . . 3.510 2.856 2.636 3.476 . 0 0 "[ . 1 . 2]" 1
1549 1 92 TYR H 1 92 TYR HB2 . . 3.660 2.650 2.499 2.701 . 0 0 "[ . 1 . 2]" 1
1550 1 92 TYR H 1 92 TYR HB3 . . 3.930 3.714 3.620 3.764 . 0 0 "[ . 1 . 2]" 1
1551 1 92 TYR H 1 92 TYR QD . . 3.830 3.492 3.369 3.697 . 0 0 "[ . 1 . 2]" 1
1552 1 92 TYR H 1 93 ARG H . . 4.740 4.246 4.127 4.355 . 0 0 "[ . 1 . 2]" 1
1553 1 92 TYR H 1 112 LEU HA . . 4.350 3.907 3.733 4.104 . 0 0 "[ . 1 . 2]" 1
1554 1 92 TYR H 1 112 LEU MD2 . . 4.900 4.383 3.983 4.620 . 0 0 "[ . 1 . 2]" 1
1555 1 92 TYR H 1 113 VAL H . . 3.620 2.762 2.617 2.892 . 0 0 "[ . 1 . 2]" 1
1556 1 92 TYR H 1 113 VAL HA . . 5.090 5.041 4.970 5.098 0.008 15 0 "[ . 1 . 2]" 1
1557 1 92 TYR H 1 113 VAL MG2 . . 3.510 2.892 2.720 3.056 . 0 0 "[ . 1 . 2]" 1
1558 1 92 TYR H 1 114 ARG H . . 5.500 5.469 5.411 5.502 0.002 15 0 "[ . 1 . 2]" 1
1559 1 92 TYR H 1 114 ARG HA . . 4.750 4.245 4.108 4.361 . 0 0 "[ . 1 . 2]" 1
1560 1 92 TYR H 1 115 THR H . . 5.140 5.001 4.710 5.123 . 0 0 "[ . 1 . 2]" 1
1561 1 92 TYR HA 1 93 ARG H . . 3.490 2.158 2.138 2.199 . 0 0 "[ . 1 . 2]" 1
1562 1 92 TYR HB2 1 93 ARG H . . 4.500 4.355 4.233 4.454 . 0 0 "[ . 1 . 2]" 1
1563 1 92 TYR HB2 1 94 VAL MG2 . . 3.850 3.856 3.821 3.894 0.044 16 0 "[ . 1 . 2]" 1
1564 1 92 TYR HB2 1 113 VAL H . . 4.650 4.471 4.308 4.643 . 0 0 "[ . 1 . 2]" 1
1565 1 92 TYR HB2 1 113 VAL MG2 . . 3.650 2.976 2.817 3.051 . 0 0 "[ . 1 . 2]" 1
1566 1 92 TYR HB2 1 115 THR H . . 5.320 5.212 5.023 5.322 0.002 1 0 "[ . 1 . 2]" 1
1567 1 92 TYR HB3 1 94 VAL MG2 . . 4.010 3.170 3.057 3.269 . 0 0 "[ . 1 . 2]" 1
1568 1 92 TYR HB3 1 113 VAL H . . 5.500 5.399 5.293 5.504 0.004 2 0 "[ . 1 . 2]" 1
1569 1 92 TYR HB3 1 113 VAL MG2 . . 3.990 3.976 3.864 4.005 0.015 17 0 "[ . 1 . 2]" 1
1570 1 92 TYR QD 1 93 ARG H . . 4.220 3.736 3.496 4.139 . 0 0 "[ . 1 . 2]" 1
1571 1 92 TYR QD 1 94 VAL MG2 . . 4.870 4.556 4.369 4.677 . 0 0 "[ . 1 . 2]" 1
1572 1 92 TYR QD 1 113 VAL MG2 . . 4.540 4.177 4.033 4.395 . 0 0 "[ . 1 . 2]" 1
1573 1 92 TYR QD 1 115 THR H . . 4.270 4.100 3.993 4.257 . 0 0 "[ . 1 . 2]" 1
1574 1 92 TYR QD 1 115 THR MG . . 3.980 3.316 2.977 3.698 . 0 0 "[ . 1 . 2]" 1
1575 1 92 TYR QE 1 115 THR H . . 5.500 5.314 5.111 5.506 0.006 16 0 "[ . 1 . 2]" 1
1576 1 92 TYR QE 1 115 THR MG . . 4.110 3.858 3.475 4.112 0.002 2 0 "[ . 1 . 2]" 1
1577 1 93 ARG H 1 93 ARG HB2 . . 3.460 2.344 2.209 2.527 . 0 0 "[ . 1 . 2]" 1
1578 1 93 ARG H 1 93 ARG HB3 . . 3.680 3.583 3.500 3.654 . 0 0 "[ . 1 . 2]" 1
1579 1 93 ARG H 1 93 ARG HG2 . . 4.490 3.873 3.219 4.254 . 0 0 "[ . 1 . 2]" 1
1580 1 93 ARG H 1 93 ARG QG . . 3.680 2.764 2.410 3.061 . 0 0 "[ . 1 . 2]" 1
1581 1 93 ARG H 1 93 ARG HG3 . . 4.490 2.862 2.453 3.830 . 0 0 "[ . 1 . 2]" 1
1582 1 93 ARG H 1 94 VAL H . . 4.780 4.320 4.283 4.384 . 0 0 "[ . 1 . 2]" 1
1583 1 93 ARG H 1 112 LEU MD2 . . 4.810 4.490 4.304 4.641 . 0 0 "[ . 1 . 2]" 1
1584 1 93 ARG HB2 1 93 ARG HD2 . . 3.920 2.882 2.335 3.632 . 0 0 "[ . 1 . 2]" 1
1585 1 93 ARG HB2 1 93 ARG QD . . 3.410 2.495 2.249 3.218 . 0 0 "[ . 1 . 2]" 1
1586 1 93 ARG HB2 1 93 ARG HD3 . . 3.920 2.974 2.305 3.735 . 0 0 "[ . 1 . 2]" 1
1587 1 93 ARG HB2 1 95 TRP HH2 . . 4.650 2.311 2.064 2.733 . 0 0 "[ . 1 . 2]" 1
1588 1 93 ARG HB2 1 95 TRP HZ2 . . 4.330 3.188 2.559 3.860 . 0 0 "[ . 1 . 2]" 1
1589 1 93 ARG HB3 1 95 TRP HE1 . . 4.770 3.884 3.379 4.366 . 0 0 "[ . 1 . 2]" 1
1590 1 93 ARG HB3 1 95 TRP HH2 . . 4.380 3.016 2.641 3.376 . 0 0 "[ . 1 . 2]" 1
1591 1 93 ARG HB3 1 95 TRP HZ2 . . 4.690 2.535 2.305 2.807 . 0 0 "[ . 1 . 2]" 1
1592 1 93 ARG HB3 1 95 TRP HZ3 . . 4.930 4.114 3.494 4.637 . 0 0 "[ . 1 . 2]" 1
1593 1 93 ARG QD 1 95 TRP HH2 . . 3.950 2.975 2.491 3.680 . 0 0 "[ . 1 . 2]" 1
1594 1 93 ARG QD 1 112 LEU MD2 . . 3.960 3.276 2.853 3.578 . 0 0 "[ . 1 . 2]" 1
1595 1 93 ARG HD2 1 95 TRP HH2 . . 4.630 3.534 2.718 4.409 . 0 0 "[ . 1 . 2]" 1
1596 1 93 ARG HD2 1 95 TRP HZ2 . . 4.040 3.057 2.036 3.996 . 0 0 "[ . 1 . 2]" 1
1597 1 93 ARG HD2 1 112 LEU MD2 . . 4.620 3.803 3.192 4.211 . 0 0 "[ . 1 . 2]" 1
1598 1 93 ARG HD3 1 95 TRP HH2 . . 4.630 3.557 2.508 4.639 0.009 8 0 "[ . 1 . 2]" 1
1599 1 93 ARG HD3 1 95 TRP HZ2 . . 4.040 2.561 2.034 3.905 . 0 0 "[ . 1 . 2]" 1
1600 1 93 ARG HD3 1 112 LEU MD2 . . 4.620 3.709 2.975 4.342 . 0 0 "[ . 1 . 2]" 1
1601 1 93 ARG QG 1 94 VAL H . . 4.590 4.159 3.977 4.348 . 0 0 "[ . 1 . 2]" 1
1602 1 94 VAL H 1 94 VAL HB . . 3.450 2.502 2.463 2.540 . 0 0 "[ . 1 . 2]" 1
1603 1 94 VAL H 1 94 VAL MG2 . . 3.320 2.494 2.400 2.736 . 0 0 "[ . 1 . 2]" 1
1604 1 94 VAL H 1 95 TRP H . . 4.800 4.506 4.454 4.536 . 0 0 "[ . 1 . 2]" 1
1605 1 94 VAL H 1 112 LEU HA . . 4.870 4.634 4.457 4.793 . 0 0 "[ . 1 . 2]" 1
1606 1 94 VAL H 1 112 LEU MD2 . . 4.720 4.531 4.281 4.726 0.006 10 0 "[ . 1 . 2]" 1
1607 1 94 VAL H 1 113 VAL H . . 5.320 5.140 5.011 5.324 0.004 14 0 "[ . 1 . 2]" 1
1608 1 94 VAL HA 1 94 VAL MG1 . . 3.390 2.350 2.296 2.412 . 0 0 "[ . 1 . 2]" 1
1609 1 94 VAL HA 1 94 VAL MG2 . . 3.480 2.403 2.341 2.450 . 0 0 "[ . 1 . 2]" 1
1610 1 94 VAL HA 1 95 TRP H . . 3.050 2.177 2.150 2.207 . 0 0 "[ . 1 . 2]" 1
1611 1 94 VAL HA 1 95 TRP HZ3 . . 4.720 4.536 4.310 4.723 0.003 8 0 "[ . 1 . 2]" 1
1612 1 94 VAL HB 1 95 TRP H . . 4.550 4.103 3.997 4.206 . 0 0 "[ . 1 . 2]" 1
1613 1 94 VAL MG1 1 95 TRP H . . 3.420 2.293 2.011 2.599 . 0 0 "[ . 1 . 2]" 1
1614 1 94 VAL MG1 1 96 VAL H . . 4.370 3.714 3.610 3.858 . 0 0 "[ . 1 . 2]" 1
1615 1 94 VAL MG1 1 96 VAL MG1 . . 3.540 3.293 3.073 3.541 0.001 7 0 "[ . 1 . 2]" 1
1616 1 94 VAL MG1 1 96 VAL MG2 . . 4.570 4.489 4.343 4.572 0.002 8 0 "[ . 1 . 2]" 1
1617 1 94 VAL MG2 1 95 TRP H . . 4.090 3.930 3.832 4.019 . 0 0 "[ . 1 . 2]" 1
1618 1 95 TRP H 1 95 TRP QB . . 3.530 2.598 2.537 2.664 . 0 0 "[ . 1 . 2]" 1
1619 1 95 TRP H 1 95 TRP HE3 . . 4.890 2.865 2.698 2.994 . 0 0 "[ . 1 . 2]" 1
1620 1 95 TRP H 1 95 TRP HZ3 . . 5.020 4.908 4.734 5.027 0.007 16 0 "[ . 1 . 2]" 1
1621 1 95 TRP H 1 96 VAL H . . 4.650 4.160 4.090 4.275 . 0 0 "[ . 1 . 2]" 1
1622 1 95 TRP HA 1 96 VAL H . . 3.300 2.145 2.142 2.149 . 0 0 "[ . 1 . 2]" 1
1623 1 95 TRP HA 1 108 SER H . . 4.260 3.878 3.578 4.163 . 0 0 "[ . 1 . 2]" 1
1624 1 95 TRP QB 1 95 TRP HE1 . . 4.470 4.453 4.444 4.460 . 0 0 "[ . 1 . 2]" 1
1625 1 95 TRP QB 1 95 TRP HZ3 . . 4.860 4.744 4.724 4.768 . 0 0 "[ . 1 . 2]" 1
1626 1 95 TRP QB 1 96 VAL H . . 3.660 3.443 3.291 3.480 . 0 0 "[ . 1 . 2]" 1
1627 1 95 TRP QB 1 97 ARG H . . 5.450 5.199 4.924 5.386 . 0 0 "[ . 1 . 2]" 1
1628 1 95 TRP QB 1 107 GLU HB2 . . 4.440 3.615 1.987 4.433 . 0 0 "[ . 1 . 2]" 1
1629 1 95 TRP QB 1 107 GLU QB . . 3.880 2.487 1.957 2.943 . 0 0 "[ . 1 . 2]" 1
1630 1 95 TRP QB 1 107 GLU HB3 . . 4.440 2.798 1.993 3.883 . 0 0 "[ . 1 . 2]" 1
1631 1 95 TRP QB 1 107 GLU HG2 . . 4.570 3.273 2.235 4.583 0.013 10 0 "[ . 1 . 2]" 1
1632 1 95 TRP QB 1 107 GLU HG3 . . 4.570 3.765 1.996 4.487 . 0 0 "[ . 1 . 2]" 1
1633 1 95 TRP QB 1 108 SER H . . 4.250 3.477 3.187 3.903 . 0 0 "[ . 1 . 2]" 1
1634 1 95 TRP HD1 1 107 GLU HB2 . . 4.660 3.685 2.587 4.459 . 0 0 "[ . 1 . 2]" 1
1635 1 95 TRP HD1 1 107 GLU QB . . 3.920 2.839 2.116 3.257 . 0 0 "[ . 1 . 2]" 1
1636 1 95 TRP HD1 1 107 GLU HB3 . . 4.660 3.239 2.171 4.607 . 0 0 "[ . 1 . 2]" 1
1637 1 95 TRP HD1 1 110 PRO HD2 . . 4.960 4.775 4.386 4.964 0.004 14 0 "[ . 1 . 2]" 1
1638 1 95 TRP HE1 1 110 PRO HB2 . . 3.930 3.468 3.205 3.574 . 0 0 "[ . 1 . 2]" 1
1639 1 95 TRP HE1 1 110 PRO QB . . 3.320 2.150 2.043 2.260 . 0 0 "[ . 1 . 2]" 1
1640 1 95 TRP HE1 1 110 PRO HB3 . . 3.930 2.172 2.057 2.292 . 0 0 "[ . 1 . 2]" 1
1641 1 95 TRP HE1 1 110 PRO HD2 . . 4.540 4.487 4.388 4.544 0.004 8 0 "[ . 1 . 2]" 1
1642 1 95 TRP HE1 1 110 PRO HG3 . . 3.370 2.244 1.937 2.424 . 0 0 "[ . 1 . 2]" 1
1643 1 95 TRP HZ2 1 110 PRO HG3 . . 4.560 4.107 3.926 4.299 . 0 0 "[ . 1 . 2]" 1
1644 1 96 VAL H 1 96 VAL HB . . 3.620 3.138 3.042 3.288 . 0 0 "[ . 1 . 2]" 1
1645 1 96 VAL H 1 96 VAL MG1 . . 3.540 1.982 1.860 2.146 . 0 0 "[ . 1 . 2]" 1
1646 1 96 VAL H 1 96 VAL MG2 . . 4.280 3.810 3.744 3.860 . 0 0 "[ . 1 . 2]" 1
1647 1 96 VAL H 1 107 GLU HA . . 5.400 5.104 4.790 5.398 . 0 0 "[ . 1 . 2]" 1
1648 1 96 VAL H 1 107 GLU QB . . 4.880 4.572 4.021 4.870 . 0 0 "[ . 1 . 2]" 1
1649 1 96 VAL H 1 108 SER H . . 3.690 3.497 3.113 3.688 . 0 0 "[ . 1 . 2]" 1
1650 1 96 VAL H 1 108 SER HB2 . . 4.960 4.874 4.696 4.965 0.005 10 0 "[ . 1 . 2]" 1
1651 1 96 VAL H 1 108 SER HB3 . . 4.600 4.311 3.899 4.601 0.001 15 0 "[ . 1 . 2]" 1
1652 1 96 VAL H 1 108 SER HG . . 3.520 2.877 2.124 3.439 . 0 0 "[ . 1 . 2]" 1
1653 1 96 VAL HA 1 97 ARG H . . 3.160 2.163 2.140 2.191 . 0 0 "[ . 1 . 2]" 1
1654 1 96 VAL MG1 1 97 ARG H . . 4.490 4.059 3.932 4.148 . 0 0 "[ . 1 . 2]" 1
1655 1 96 VAL MG1 1 108 SER H . . 4.690 4.108 3.753 4.547 . 0 0 "[ . 1 . 2]" 1
1656 1 96 VAL MG2 1 97 ARG H . . 3.310 2.439 2.175 2.650 . 0 0 "[ . 1 . 2]" 1
1657 1 97 ARG H 1 97 ARG QB . . 3.560 3.016 2.727 3.166 . 0 0 "[ . 1 . 2]" 1
1658 1 97 ARG H 1 97 ARG QD . . 4.620 3.945 3.542 4.452 . 0 0 "[ . 1 . 2]" 1
1659 1 97 ARG H 1 97 ARG HG2 . . 4.000 2.208 2.003 2.813 . 0 0 "[ . 1 . 2]" 1
1660 1 97 ARG H 1 97 ARG HG3 . . 3.770 3.535 3.350 3.741 . 0 0 "[ . 1 . 2]" 1
1661 1 97 ARG QB 1 97 ARG HE . . 3.960 3.161 1.851 3.965 0.005 20 0 "[ . 1 . 2]" 1
1662 1 97 ARG QB 1 99 HIS HE1 . . 5.030 4.107 3.763 4.473 . 0 0 "[ . 1 . 2]" 1
1663 1 97 ARG QB 1 107 GLU H . . 5.100 4.274 3.834 4.832 . 0 0 "[ . 1 . 2]" 1
1664 1 97 ARG QB 1 107 GLU HA . . 4.150 2.121 1.968 2.523 . 0 0 "[ . 1 . 2]" 1
1665 1 97 ARG QB 1 107 GLU QG . . 4.960 3.721 2.814 4.967 0.007 2 0 "[ . 1 . 2]" 1
1666 1 97 ARG QB 1 108 SER H . . 4.480 3.684 3.034 4.177 . 0 0 "[ . 1 . 2]" 1
1667 1 97 ARG HB2 1 97 ARG HE . . 4.520 3.817 2.086 4.539 0.019 20 0 "[ . 1 . 2]" 1
1668 1 97 ARG HB2 1 107 GLU HA . . 4.740 3.401 2.853 3.837 . 0 0 "[ . 1 . 2]" 1
1669 1 97 ARG HB3 1 97 ARG HE . . 4.520 3.560 2.070 4.435 . 0 0 "[ . 1 . 2]" 1
1670 1 97 ARG HB3 1 107 GLU HA . . 4.740 2.145 1.994 2.568 . 0 0 "[ . 1 . 2]" 1
1671 1 97 ARG QD 1 99 HIS HE1 . . 4.730 2.721 1.968 3.862 . 0 0 "[ . 1 . 2]" 1
1672 1 97 ARG QD 1 105 GLY H . . 4.510 3.690 1.890 4.318 . 0 0 "[ . 1 . 2]" 1
1673 1 97 ARG HG3 1 99 HIS HE1 . . 4.510 2.428 1.995 3.187 . 0 0 "[ . 1 . 2]" 1
1674 1 97 ARG HG3 1 105 GLY H . . 3.930 3.730 3.182 3.932 0.002 5 0 "[ . 1 . 2]" 1
1675 1 98 ALA MB 1 99 HIS H . . 4.040 3.008 2.552 3.339 . 0 0 "[ . 1 . 2]" 1
1676 1 99 HIS H 1 100 THR H . . 4.800 4.463 4.257 4.591 . 0 0 "[ . 1 . 2]" 1
1677 1 99 HIS HA 1 100 THR H . . 3.070 2.184 2.141 2.253 . 0 0 "[ . 1 . 2]" 1
1678 1 99 HIS HA 1 105 GLY H . . 3.970 3.546 3.076 3.962 . 0 0 "[ . 1 . 2]" 1
1679 1 99 HIS HB2 1 100 THR H . . 4.420 4.234 3.941 4.412 . 0 0 "[ . 1 . 2]" 1
1680 1 99 HIS HB3 1 100 THR H . . 3.500 3.161 2.834 3.445 . 0 0 "[ . 1 . 2]" 1
1681 1 99 HIS HB3 1 103 GLY H . . 5.500 5.412 5.092 5.509 0.009 16 0 "[ . 1 . 2]" 1
1682 1 100 THR H 1 100 THR HG1 . . 4.200 2.274 1.934 3.357 . 0 0 "[ . 1 . 2]" 1
1683 1 100 THR H 1 100 THR MG . . 4.040 3.228 2.985 3.397 . 0 0 "[ . 1 . 2]" 1
1684 1 100 THR H 1 101 ASP H . . 4.590 4.515 4.471 4.579 . 0 0 "[ . 1 . 2]" 1
1685 1 100 THR H 1 101 ASP HA . . 5.500 5.335 5.141 5.498 . 0 0 "[ . 1 . 2]" 1
1686 1 100 THR H 1 102 VAL H . . 4.750 4.510 4.156 4.745 . 0 0 "[ . 1 . 2]" 1
1687 1 100 THR H 1 102 VAL QG . . 4.370 3.881 3.595 4.061 . 0 0 "[ . 1 . 2]" 1
1688 1 100 THR H 1 103 GLY H . . 3.520 3.358 3.173 3.485 . 0 0 "[ . 1 . 2]" 1
1689 1 100 THR H 1 104 PRO HA . . 3.790 3.281 2.901 3.675 . 0 0 "[ . 1 . 2]" 1
1690 1 100 THR H 1 105 GLY H . . 5.190 4.873 4.587 5.195 0.005 17 0 "[ . 1 . 2]" 1
1691 1 100 THR HA 1 100 THR MG . . 3.580 2.096 2.015 2.283 . 0 0 "[ . 1 . 2]" 1
1692 1 100 THR HA 1 101 ASP H . . 3.400 2.370 2.245 2.478 . 0 0 "[ . 1 . 2]" 1
1693 1 100 THR HA 1 102 VAL H . . 4.270 4.012 3.809 4.202 . 0 0 "[ . 1 . 2]" 1
1694 1 100 THR HA 1 103 GLY H . . 4.700 4.471 4.331 4.668 . 0 0 "[ . 1 . 2]" 1
1695 1 100 THR HB 1 101 ASP H . . 3.250 2.518 2.242 2.866 . 0 0 "[ . 1 . 2]" 1
1696 1 100 THR HB 1 102 VAL H . . 3.660 2.307 2.173 2.552 . 0 0 "[ . 1 . 2]" 1
1697 1 100 THR HB 1 102 VAL QG . . 4.370 2.135 1.960 2.339 . 0 0 "[ . 1 . 2]" 1
1698 1 100 THR HB 1 103 GLY H . . 4.440 3.418 3.007 3.736 . 0 0 "[ . 1 . 2]" 1
1699 1 100 THR HG1 1 101 ASP H . . 4.570 4.230 3.933 4.488 . 0 0 "[ . 1 . 2]" 1
1700 1 100 THR HG1 1 102 VAL H . . 3.600 3.138 2.549 3.445 . 0 0 "[ . 1 . 2]" 1
1701 1 100 THR HG1 1 102 VAL QG . . 4.270 2.075 1.792 2.294 . 0 0 "[ . 1 . 2]" 1
1702 1 100 THR HG1 1 103 GLY H . . 4.000 2.295 1.899 3.856 . 0 0 "[ . 1 . 2]" 1
1703 1 100 THR MG 1 101 ASP H . . 3.670 3.334 3.120 3.546 . 0 0 "[ . 1 . 2]" 1
1704 1 100 THR MG 1 101 ASP QB . . 5.080 4.591 4.419 4.808 . 0 0 "[ . 1 . 2]" 1
1705 1 100 THR MG 1 102 VAL H . . 4.180 3.982 3.883 4.195 0.015 16 0 "[ . 1 . 2]" 1
1706 1 101 ASP H 1 101 ASP QB . . 3.230 2.224 2.157 2.266 . 0 0 "[ . 1 . 2]" 1
1707 1 101 ASP H 1 102 VAL H . . 3.470 2.697 2.592 2.882 . 0 0 "[ . 1 . 2]" 1
1708 1 101 ASP H 1 102 VAL HA . . 5.450 5.277 5.121 5.451 0.001 16 0 "[ . 1 . 2]" 1
1709 1 101 ASP H 1 102 VAL MG1 . . 5.000 4.211 3.935 4.792 . 0 0 "[ . 1 . 2]" 1
1710 1 101 ASP H 1 102 VAL QG . . 4.380 3.557 3.348 3.701 . 0 0 "[ . 1 . 2]" 1
1711 1 101 ASP H 1 102 VAL MG2 . . 5.000 3.857 3.607 4.046 . 0 0 "[ . 1 . 2]" 1
1712 1 101 ASP H 1 103 GLY H . . 4.580 4.201 4.076 4.310 . 0 0 "[ . 1 . 2]" 1
1713 1 101 ASP HA 1 102 VAL MG1 . . 5.500 4.919 4.660 5.237 . 0 0 "[ . 1 . 2]" 1
1714 1 101 ASP HA 1 102 VAL MG2 . . 5.500 4.874 4.726 5.011 . 0 0 "[ . 1 . 2]" 1
1715 1 101 ASP QB 1 102 VAL H . . 3.680 3.023 2.750 3.334 . 0 0 "[ . 1 . 2]" 1
1716 1 101 ASP QB 1 102 VAL MG1 . . 5.490 3.373 3.133 3.724 . 0 0 "[ . 1 . 2]" 1
1717 1 101 ASP QB 1 102 VAL QG . . 4.680 3.242 3.063 3.445 . 0 0 "[ . 1 . 2]" 1
1718 1 101 ASP QB 1 102 VAL MG2 . . 5.490 4.258 3.760 4.525 . 0 0 "[ . 1 . 2]" 1
1719 1 101 ASP QB 1 103 GLY H . . 5.060 4.842 4.604 5.043 . 0 0 "[ . 1 . 2]" 1
1720 1 102 VAL H 1 102 VAL HB . . 3.730 3.632 3.548 3.702 . 0 0 "[ . 1 . 2]" 1
1721 1 102 VAL H 1 102 VAL QG . . 2.960 1.902 1.794 2.011 . 0 0 "[ . 1 . 2]" 1
1722 1 102 VAL H 1 103 GLY H . . 2.960 2.373 2.133 2.551 . 0 0 "[ . 1 . 2]" 1
1723 1 102 VAL HA 1 102 VAL QG . . 2.700 2.261 2.075 2.367 . 0 0 "[ . 1 . 2]" 1
1724 1 102 VAL HB 1 103 GLY H . . 3.990 3.885 3.688 3.991 0.001 5 0 "[ . 1 . 2]" 1
1725 1 102 VAL QG 1 103 GLY H . . 3.280 2.159 1.946 2.421 . 0 0 "[ . 1 . 2]" 1
1726 1 102 VAL QG 1 103 GLY QA . . 4.850 3.260 3.045 3.591 . 0 0 "[ . 1 . 2]" 1
1727 1 103 GLY H 1 104 PRO QD . . 4.340 4.280 4.156 4.336 . 0 0 "[ . 1 . 2]" 1
1728 1 104 PRO HA 1 105 GLY H . . 3.230 2.454 2.376 2.658 . 0 0 "[ . 1 . 2]" 1
1729 1 104 PRO HB2 1 105 GLY HA2 . . 4.790 4.174 4.024 4.302 . 0 0 "[ . 1 . 2]" 1
1730 1 104 PRO HB2 1 105 GLY QA . . 4.210 3.903 3.749 3.994 . 0 0 "[ . 1 . 2]" 1
1731 1 104 PRO HB2 1 105 GLY HA3 . . 4.790 4.693 4.472 4.793 0.003 5 0 "[ . 1 . 2]" 1
1732 1 104 PRO HB3 1 105 GLY H . . 4.180 3.403 3.200 3.496 . 0 0 "[ . 1 . 2]" 1
1733 1 104 PRO HB3 1 105 GLY QA . . 5.340 5.056 4.974 5.097 . 0 0 "[ . 1 . 2]" 1
1734 1 105 GLY H 1 106 PRO HD2 . . 5.230 4.628 4.176 4.804 . 0 0 "[ . 1 . 2]" 1
1735 1 105 GLY H 1 106 PRO QD . . 4.420 4.284 3.975 4.369 . 0 0 "[ . 1 . 2]" 1
1736 1 105 GLY H 1 106 PRO HD3 . . 5.230 5.065 4.987 5.103 . 0 0 "[ . 1 . 2]" 1
1737 1 105 GLY QA 1 106 PRO QG . . 4.000 3.690 3.651 3.700 . 0 0 "[ . 1 . 2]" 1
1738 1 106 PRO HA 1 107 GLU H . . 2.740 2.400 2.198 2.704 . 0 0 "[ . 1 . 2]" 1
1739 1 106 PRO QB 1 107 GLU H . . 3.240 2.561 1.925 3.079 . 0 0 "[ . 1 . 2]" 1
1740 1 106 PRO HB2 1 107 GLU H . . 3.820 2.644 1.942 3.249 . 0 0 "[ . 1 . 2]" 1
1741 1 106 PRO HB3 1 107 GLU H . . 3.820 3.480 3.161 3.816 . 0 0 "[ . 1 . 2]" 1
1742 1 107 GLU H 1 107 GLU QB . . 3.070 2.416 2.265 2.639 . 0 0 "[ . 1 . 2]" 1
1743 1 107 GLU H 1 107 GLU HG2 . . 4.540 3.609 2.117 4.212 . 0 0 "[ . 1 . 2]" 1
1744 1 107 GLU H 1 107 GLU QG . . 3.890 2.790 1.897 3.431 . 0 0 "[ . 1 . 2]" 1
1745 1 107 GLU H 1 107 GLU HG3 . . 4.540 3.151 1.906 4.051 . 0 0 "[ . 1 . 2]" 1
1746 1 107 GLU H 1 108 SER H . . 4.800 4.561 4.499 4.639 . 0 0 "[ . 1 . 2]" 1
1747 1 107 GLU HA 1 108 SER H . . 2.990 2.492 2.310 2.613 . 0 0 "[ . 1 . 2]" 1
1748 1 107 GLU QB 1 108 SER H . . 3.220 2.259 1.991 2.610 . 0 0 "[ . 1 . 2]" 1
1749 1 107 GLU HB2 1 108 SER H . . 3.870 3.214 2.003 3.747 . 0 0 "[ . 1 . 2]" 1
1750 1 107 GLU HB3 1 108 SER H . . 3.870 2.640 2.010 3.839 . 0 0 "[ . 1 . 2]" 1
1751 1 108 SER H 1 108 SER HB2 . . 3.910 3.740 3.645 3.802 . 0 0 "[ . 1 . 2]" 1
1752 1 108 SER H 1 108 SER HB3 . . 3.530 2.881 2.576 3.234 . 0 0 "[ . 1 . 2]" 1
1753 1 108 SER H 1 108 SER HG . . 4.060 3.010 2.083 3.707 . 0 0 "[ . 1 . 2]" 1
1754 1 108 SER H 1 109 SER H . . 4.750 4.449 4.402 4.501 . 0 0 "[ . 1 . 2]" 1
1755 1 108 SER H 1 110 PRO HD3 . . 5.230 5.118 4.696 5.244 0.014 10 0 "[ . 1 . 2]" 1
1756 1 108 SER HA 1 109 SER H . . 3.070 2.587 2.367 2.654 . 0 0 "[ . 1 . 2]" 1
1757 1 108 SER HB2 1 109 SER H . . 3.290 2.165 2.005 2.519 . 0 0 "[ . 1 . 2]" 1
1758 1 108 SER HB3 1 109 SER H . . 4.670 3.648 3.525 3.780 . 0 0 "[ . 1 . 2]" 1
1759 1 108 SER HG 1 109 SER H . . 3.980 3.242 2.734 3.949 . 0 0 "[ . 1 . 2]" 1
1760 1 109 SER H 1 109 SER HB2 . . 3.300 2.453 2.157 3.467 0.167 14 0 "[ . 1 . 2]" 1
1761 1 109 SER H 1 109 SER QB . . 2.720 2.212 2.136 2.269 . 0 0 "[ . 1 . 2]" 1
1762 1 109 SER H 1 109 SER HB3 . . 3.300 2.771 2.156 3.466 0.166 19 0 "[ . 1 . 2]" 1
1763 1 109 SER H 1 110 PRO HD3 . . 4.810 4.590 4.460 4.700 . 0 0 "[ . 1 . 2]" 1
1764 1 109 SER HA 1 110 PRO HD3 . . 3.870 2.338 2.295 2.400 . 0 0 "[ . 1 . 2]" 1
1765 1 110 PRO HA 1 111 VAL H . . 2.960 2.158 2.150 2.195 . 0 0 "[ . 1 . 2]" 1
1766 1 110 PRO HA 1 111 VAL HB . . 4.660 4.599 4.498 4.664 0.004 15 0 "[ . 1 . 2]" 1
1767 1 110 PRO HA 1 111 VAL MG1 . . 5.500 5.475 5.455 5.494 . 0 0 "[ . 1 . 2]" 1
1768 1 110 PRO QB 1 111 VAL H . . 3.680 3.352 3.087 3.524 . 0 0 "[ . 1 . 2]" 1
1769 1 111 VAL H 1 111 VAL HB . . 3.510 2.512 2.414 2.638 . 0 0 "[ . 1 . 2]" 1
1770 1 111 VAL H 1 111 VAL MG1 . . 4.110 3.794 3.737 3.854 . 0 0 "[ . 1 . 2]" 1
1771 1 111 VAL H 1 111 VAL MG2 . . 3.420 2.614 2.370 2.839 . 0 0 "[ . 1 . 2]" 1
1772 1 111 VAL H 1 112 LEU H . . 4.610 4.420 4.329 4.488 . 0 0 "[ . 1 . 2]" 1
1773 1 111 VAL HA 1 111 VAL MG1 . . 3.230 2.344 2.264 2.439 . 0 0 "[ . 1 . 2]" 1
1774 1 111 VAL HA 1 111 VAL MG2 . . 3.090 2.343 2.225 2.414 . 0 0 "[ . 1 . 2]" 1
1775 1 111 VAL HA 1 112 LEU H . . 2.590 2.148 2.141 2.186 . 0 0 "[ . 1 . 2]" 1
1776 1 111 VAL HA 1 112 LEU HA . . 4.760 4.380 4.365 4.393 . 0 0 "[ . 1 . 2]" 1
1777 1 111 VAL HA 1 112 LEU HB2 . . 4.730 4.709 4.624 4.761 0.031 12 0 "[ . 1 . 2]" 1
1778 1 111 VAL HA 1 112 LEU MD1 . . 5.220 5.094 4.997 5.209 . 0 0 "[ . 1 . 2]" 1
1779 1 111 VAL HA 1 112 LEU MD2 . . 4.440 4.274 4.050 4.431 . 0 0 "[ . 1 . 2]" 1
1780 1 111 VAL HA 1 112 LEU HG . . 4.240 3.743 3.642 3.827 . 0 0 "[ . 1 . 2]" 1
1781 1 111 VAL HB 1 112 LEU H . . 4.350 4.241 4.043 4.342 . 0 0 "[ . 1 . 2]" 1
1782 1 111 VAL HB 1 112 LEU HA . . 5.340 5.107 4.947 5.238 . 0 0 "[ . 1 . 2]" 1
1783 1 111 VAL MG1 1 112 LEU H . . 3.130 2.564 2.252 2.703 . 0 0 "[ . 1 . 2]" 1
1784 1 111 VAL MG1 1 112 LEU HA . . 4.640 4.022 3.880 4.126 . 0 0 "[ . 1 . 2]" 1
1785 1 111 VAL MG1 1 112 LEU HB2 . . 4.440 4.223 3.984 4.342 . 0 0 "[ . 1 . 2]" 1
1786 1 111 VAL MG1 1 112 LEU HG . . 4.560 4.546 4.474 4.568 0.008 12 0 "[ . 1 . 2]" 1
1787 1 111 VAL MG1 1 113 VAL H . . 4.300 4.191 4.060 4.299 . 0 0 "[ . 1 . 2]" 1
1788 1 111 VAL MG1 1 113 VAL HA . . 4.530 4.115 4.032 4.215 . 0 0 "[ . 1 . 2]" 1
1789 1 111 VAL MG1 1 113 VAL MG2 . . 4.030 3.761 3.498 3.969 . 0 0 "[ . 1 . 2]" 1
1790 1 111 VAL MG2 1 112 LEU H . . 4.090 4.016 3.892 4.087 . 0 0 "[ . 1 . 2]" 1
1791 1 112 LEU H 1 112 LEU HB2 . . 3.010 2.575 2.484 2.632 . 0 0 "[ . 1 . 2]" 1
1792 1 112 LEU H 1 112 LEU HB3 . . 3.770 3.623 3.612 3.654 . 0 0 "[ . 1 . 2]" 1
1793 1 112 LEU H 1 112 LEU MD1 . . 3.770 3.651 3.528 3.760 . 0 0 "[ . 1 . 2]" 1
1794 1 112 LEU H 1 112 LEU MD2 . . 3.860 3.250 2.990 3.576 . 0 0 "[ . 1 . 2]" 1
1795 1 112 LEU H 1 112 LEU HG . . 3.640 2.250 2.123 2.549 . 0 0 "[ . 1 . 2]" 1
1796 1 112 LEU H 1 113 VAL H . . 4.490 4.425 4.394 4.469 . 0 0 "[ . 1 . 2]" 1
1797 1 112 LEU HA 1 112 LEU MD1 . . 4.150 3.898 3.846 3.936 . 0 0 "[ . 1 . 2]" 1
1798 1 112 LEU HA 1 112 LEU MD2 . . 3.130 2.136 1.971 2.345 . 0 0 "[ . 1 . 2]" 1
1799 1 112 LEU HA 1 112 LEU HG . . 3.930 3.247 3.130 3.364 . 0 0 "[ . 1 . 2]" 1
1800 1 112 LEU HA 1 113 VAL H . . 2.730 2.141 2.139 2.145 . 0 0 "[ . 1 . 2]" 1
1801 1 112 LEU HA 1 113 VAL HA . . 5.130 4.394 4.392 4.400 . 0 0 "[ . 1 . 2]" 1
1802 1 112 LEU HA 1 113 VAL MG1 . . 4.810 3.990 3.884 4.088 . 0 0 "[ . 1 . 2]" 1
1803 1 112 LEU HA 1 113 VAL MG2 . . 4.050 3.730 3.619 3.821 . 0 0 "[ . 1 . 2]" 1
1804 1 112 LEU HB2 1 112 LEU MD1 . . 3.440 2.329 2.198 2.432 . 0 0 "[ . 1 . 2]" 1
1805 1 112 LEU HB2 1 113 VAL H . . 4.410 4.229 4.129 4.308 . 0 0 "[ . 1 . 2]" 1
1806 1 112 LEU HB3 1 112 LEU MD1 . . 3.600 2.365 2.247 2.475 . 0 0 "[ . 1 . 2]" 1
1807 1 112 LEU HB3 1 113 VAL H . . 3.620 3.510 3.354 3.561 . 0 0 "[ . 1 . 2]" 1
1808 1 112 LEU MD1 1 113 VAL H . . 5.390 5.261 5.193 5.333 . 0 0 "[ . 1 . 2]" 1
1809 1 112 LEU MD2 1 113 VAL H . . 3.900 3.830 3.632 3.905 0.005 18 0 "[ . 1 . 2]" 1
1810 1 112 LEU HG 1 113 VAL H . . 5.430 5.261 5.172 5.350 . 0 0 "[ . 1 . 2]" 1
1811 1 113 VAL H 1 113 VAL MG1 . . 4.380 3.050 2.947 3.123 . 0 0 "[ . 1 . 2]" 1
1812 1 113 VAL H 1 113 VAL MG2 . . 2.980 2.156 2.063 2.228 . 0 0 "[ . 1 . 2]" 1
1813 1 113 VAL H 1 114 ARG H . . 4.510 4.363 4.307 4.389 . 0 0 "[ . 1 . 2]" 1
1814 1 113 VAL HA 1 113 VAL MG1 . . 3.380 2.232 2.171 2.328 . 0 0 "[ . 1 . 2]" 1
1815 1 113 VAL HA 1 113 VAL MG2 . . 3.500 3.195 3.186 3.203 . 0 0 "[ . 1 . 2]" 1
1816 1 113 VAL HA 1 114 ARG H . . 2.660 2.170 2.149 2.189 . 0 0 "[ . 1 . 2]" 1
1817 1 113 VAL HA 1 114 ARG HA . . 5.500 4.380 4.374 4.384 . 0 0 "[ . 1 . 2]" 1
1818 1 113 VAL HA 1 114 ARG QB . . 4.530 4.036 4.001 4.060 . 0 0 "[ . 1 . 2]" 1
1819 1 113 VAL HB 1 114 ARG H . . 3.360 3.136 3.036 3.280 . 0 0 "[ . 1 . 2]" 1
1820 1 113 VAL MG2 1 114 ARG H . . 3.970 3.961 3.887 3.989 0.019 20 0 "[ . 1 . 2]" 1
1821 1 113 VAL MG2 1 114 ARG QB . . 5.340 5.037 4.972 5.079 . 0 0 "[ . 1 . 2]" 1
1822 1 113 VAL MG2 1 115 THR H . . 4.510 4.164 3.864 4.375 . 0 0 "[ . 1 . 2]" 1
1823 1 113 VAL MG2 1 115 THR MG . . 3.900 3.597 3.373 3.877 . 0 0 "[ . 1 . 2]" 1
1824 1 114 ARG H 1 114 ARG HB2 . . 3.360 2.950 2.649 3.072 . 0 0 "[ . 1 . 2]" 1
1825 1 114 ARG H 1 114 ARG QB . . 2.930 2.345 2.281 2.402 . 0 0 "[ . 1 . 2]" 1
1826 1 114 ARG H 1 114 ARG HB3 . . 3.360 2.471 2.374 2.750 . 0 0 "[ . 1 . 2]" 1
1827 1 114 ARG H 1 114 ARG QD . . 4.550 4.512 4.364 4.619 0.069 9 0 "[ . 1 . 2]" 1
1828 1 114 ARG H 1 114 ARG QG . . 4.330 3.997 3.929 4.055 . 0 0 "[ . 1 . 2]" 1
1829 1 114 ARG H 1 115 THR H . . 4.360 4.231 4.147 4.307 . 0 0 "[ . 1 . 2]" 1
1830 1 114 ARG HA 1 114 ARG QG . . 3.730 2.559 2.344 2.636 . 0 0 "[ . 1 . 2]" 1
1831 1 114 ARG HA 1 115 THR H . . 2.950 2.157 2.144 2.176 . 0 0 "[ . 1 . 2]" 1
1832 1 114 ARG HA 1 115 THR HA . . 5.500 4.431 4.410 4.456 . 0 0 "[ . 1 . 2]" 1
1833 1 114 ARG HA 1 115 THR MG . . 5.500 4.232 4.001 4.489 . 0 0 "[ . 1 . 2]" 1
1834 1 114 ARG QB 1 114 ARG QD . . 3.220 2.149 2.041 2.256 . 0 0 "[ . 1 . 2]" 1
1835 1 114 ARG QB 1 115 THR H . . 4.080 3.923 3.886 3.962 . 0 0 "[ . 1 . 2]" 1
1836 1 114 ARG HB2 1 114 ARG HD2 . . 4.180 3.068 2.409 3.678 . 0 0 "[ . 1 . 2]" 1
1837 1 114 ARG HB2 1 114 ARG HD3 . . 4.180 3.543 2.472 3.928 . 0 0 "[ . 1 . 2]" 1
1838 1 114 ARG HB2 1 114 ARG HE . . 4.930 3.539 2.330 4.818 . 0 0 "[ . 1 . 2]" 1
1839 1 114 ARG HB2 1 115 THR H . . 4.650 4.388 4.284 4.552 . 0 0 "[ . 1 . 2]" 1
1840 1 114 ARG HB3 1 114 ARG HD2 . . 4.180 2.560 2.100 3.669 . 0 0 "[ . 1 . 2]" 1
1841 1 114 ARG HB3 1 114 ARG HD3 . . 4.180 3.171 2.315 3.577 . 0 0 "[ . 1 . 2]" 1
1842 1 114 ARG HB3 1 114 ARG HE . . 4.930 3.772 2.756 4.642 . 0 0 "[ . 1 . 2]" 1
1843 1 114 ARG HB3 1 115 THR H . . 4.650 4.423 4.277 4.475 . 0 0 "[ . 1 . 2]" 1
1844 1 114 ARG QD 1 115 THR H . . 5.340 5.137 4.919 5.270 . 0 0 "[ . 1 . 2]" 1
1845 1 114 ARG QG 1 115 THR H . . 3.390 3.223 3.086 3.354 . 0 0 "[ . 1 . 2]" 1
1846 1 114 ARG HG2 1 115 THR H . . 4.110 3.443 3.190 3.645 . 0 0 "[ . 1 . 2]" 1
1847 1 114 ARG HG3 1 115 THR H . . 4.110 3.914 3.668 4.106 . 0 0 "[ . 1 . 2]" 1
1848 1 115 THR H 1 115 THR HB . . 4.000 3.593 3.545 3.618 . 0 0 "[ . 1 . 2]" 1
1849 1 115 THR H 1 115 THR HG1 . . 3.860 3.357 3.180 3.490 . 0 0 "[ . 1 . 2]" 1
1850 1 115 THR H 1 115 THR MG . . 3.230 2.565 2.366 2.793 . 0 0 "[ . 1 . 2]" 1
1851 1 115 THR H 1 116 ASP H . . 4.740 4.640 4.581 4.648 . 0 0 "[ . 1 . 2]" 1
1852 1 115 THR HA 1 115 THR MG . . 3.370 2.177 2.084 2.300 . 0 0 "[ . 1 . 2]" 1
1853 1 115 THR HA 1 116 ASP H . . 3.050 2.330 2.176 2.426 . 0 0 "[ . 1 . 2]" 1
1854 1 115 THR HA 1 116 ASP HB2 . . 4.870 4.552 4.394 4.717 . 0 0 "[ . 1 . 2]" 1
1855 1 115 THR HB 1 116 ASP H . . 3.690 2.602 2.396 3.128 . 0 0 "[ . 1 . 2]" 1
1856 1 115 THR HG1 1 116 ASP H . . 4.670 4.590 4.457 4.675 0.005 17 0 "[ . 1 . 2]" 1
1857 1 115 THR MG 1 116 ASP H . . 3.730 3.489 3.181 3.713 . 0 0 "[ . 1 . 2]" 1
1858 1 116 ASP H 1 116 ASP HB2 . . 3.490 2.268 2.175 2.502 . 0 0 "[ . 1 . 2]" 1
1859 1 116 ASP H 1 116 ASP HB3 . . 3.770 3.397 2.924 3.612 . 0 0 "[ . 1 . 2]" 1
1860 1 116 ASP H 1 117 GLU H . . 4.780 4.643 4.626 4.649 . 0 0 "[ . 1 . 2]" 1
1861 1 116 ASP HA 1 117 GLU H . . 2.880 2.313 2.227 2.382 . 0 0 "[ . 1 . 2]" 1
1862 1 116 ASP HA 1 117 GLU QB . . 4.730 4.115 4.046 4.362 . 0 0 "[ . 1 . 2]" 1
1863 1 116 ASP HA 1 117 GLU QG . . 5.500 5.052 4.455 5.522 0.022 4 0 "[ . 1 . 2]" 1
1864 1 116 ASP HB2 1 117 GLU H . . 4.120 4.030 3.780 4.115 . 0 0 "[ . 1 . 2]" 1
1865 1 116 ASP HB3 1 117 GLU H . . 3.330 2.900 2.542 3.338 0.008 6 0 "[ . 1 . 2]" 1
1866 1 116 ASP HB3 1 117 GLU QB . . 5.320 4.867 4.078 5.355 0.035 3 0 "[ . 1 . 2]" 1
1867 1 117 GLU H 1 117 GLU HB2 . . 3.790 3.306 2.204 3.696 . 0 0 "[ . 1 . 2]" 1
1868 1 117 GLU H 1 117 GLU QB . . 3.120 2.402 2.168 2.758 . 0 0 "[ . 1 . 2]" 1
1869 1 117 GLU H 1 117 GLU HB3 . . 3.790 2.632 2.393 3.505 . 0 0 "[ . 1 . 2]" 1
1870 1 117 GLU H 1 117 GLU QG . . 4.440 3.091 2.449 3.899 . 0 0 "[ . 1 . 2]" 1
1871 1 117 GLU H 1 118 ASP H . . 4.750 4.578 4.510 4.628 . 0 0 "[ . 1 . 2]" 1
1872 1 117 GLU HA 1 117 GLU QG . . 3.810 3.076 2.248 3.436 . 0 0 "[ . 1 . 2]" 1
1873 1 117 GLU HA 1 118 ASP H . . 2.810 2.271 2.193 2.446 . 0 0 "[ . 1 . 2]" 1
1874 1 117 GLU HA 1 118 ASP HB2 . . 5.010 4.467 4.060 4.828 . 0 0 "[ . 1 . 2]" 1
1875 1 117 GLU HA 1 118 ASP QB . . 4.310 4.090 3.895 4.267 . 0 0 "[ . 1 . 2]" 1
1876 1 117 GLU HA 1 118 ASP HB3 . . 5.010 4.783 4.544 5.011 0.001 8 0 "[ . 1 . 2]" 1
1877 1 117 GLU HA 1 119 VAL H . . 4.410 4.265 3.993 4.415 0.005 17 0 "[ . 1 . 2]" 1
1878 1 117 GLU QB 1 119 VAL H . . 4.080 3.316 2.590 3.869 . 0 0 "[ . 1 . 2]" 1
1879 1 117 GLU HB2 1 118 ASP H . . 4.200 3.221 2.556 4.212 0.012 20 0 "[ . 1 . 2]" 1
1880 1 117 GLU HB3 1 118 ASP H . . 4.200 3.939 2.400 4.244 0.044 17 0 "[ . 1 . 2]" 1
1881 1 117 GLU QG 1 118 ASP H . . 4.740 3.124 2.056 3.930 . 0 0 "[ . 1 . 2]" 1
1882 1 117 GLU QG 1 118 ASP HA . . 5.500 4.194 3.802 5.512 0.012 8 0 "[ . 1 . 2]" 1
1883 1 117 GLU QG 1 119 VAL H . . 4.570 3.218 2.754 3.803 . 0 0 "[ . 1 . 2]" 1
1884 1 118 ASP H 1 118 ASP HB2 . . 3.330 2.632 2.343 2.789 . 0 0 "[ . 1 . 2]" 1
1885 1 118 ASP H 1 118 ASP HB3 . . 3.330 2.591 2.316 2.959 . 0 0 "[ . 1 . 2]" 1
1886 1 118 ASP H 1 119 VAL H . . 3.460 2.512 1.800 3.028 . 0 0 "[ . 1 . 2]" 1
1887 1 118 ASP H 1 119 VAL MG1 . . 4.920 4.090 3.651 4.639 . 0 0 "[ . 1 . 2]" 1
1888 1 118 ASP HA 1 119 VAL MG1 . . 5.010 4.884 4.494 5.031 0.021 16 0 "[ . 1 . 2]" 1
1889 1 118 ASP QB 1 119 VAL H . . 3.300 2.539 2.265 3.038 . 0 0 "[ . 1 . 2]" 1
1890 1 118 ASP QB 1 119 VAL MG1 . . 4.710 3.072 2.612 3.350 . 0 0 "[ . 1 . 2]" 1
1891 1 118 ASP HB2 1 119 VAL H . . 3.980 3.822 3.633 3.953 . 0 0 "[ . 1 . 2]" 1
1892 1 118 ASP HB3 1 119 VAL H . . 3.980 2.581 2.285 3.174 . 0 0 "[ . 1 . 2]" 1
1893 1 119 VAL H 1 119 VAL HB . . 3.730 3.633 3.612 3.738 0.008 4 0 "[ . 1 . 2]" 1
1894 1 119 VAL H 1 119 VAL MG1 . . 3.360 2.246 1.878 2.595 . 0 0 "[ . 1 . 2]" 1
1895 1 119 VAL H 1 119 VAL MG2 . . 3.250 2.157 1.892 2.365 . 0 0 "[ . 1 . 2]" 1
1896 1 119 VAL H 1 120 PRO HD2 . . 5.060 4.789 4.736 4.836 . 0 0 "[ . 1 . 2]" 1
1897 1 119 VAL H 1 120 PRO HD3 . . 5.060 4.991 4.922 5.054 . 0 0 "[ . 1 . 2]" 1
1898 1 119 VAL HA 1 119 VAL MG1 . . 3.150 2.366 2.271 2.448 . 0 0 "[ . 1 . 2]" 1
1899 1 119 VAL HA 1 119 VAL MG2 . . 3.630 3.195 3.184 3.203 . 0 0 "[ . 1 . 2]" 1
1900 1 119 VAL HA 1 120 PRO HD2 . . 2.880 2.313 2.195 2.392 . 0 0 "[ . 1 . 2]" 1
1901 1 119 VAL HA 1 120 PRO HD3 . . 2.880 2.274 2.253 2.296 . 0 0 "[ . 1 . 2]" 1
1902 1 119 VAL HB 1 120 PRO QD . . 3.070 2.103 1.985 2.343 . 0 0 "[ . 1 . 2]" 1
1903 1 119 VAL HB 1 121 SER H . . 5.500 2.604 2.481 2.707 . 0 0 "[ . 1 . 2]" 1
1904 1 119 VAL MG1 1 120 PRO HD2 . . 4.850 3.200 2.887 3.494 . 0 0 "[ . 1 . 2]" 1
1905 1 119 VAL MG1 1 120 PRO QD . . 4.120 3.072 2.796 3.329 . 0 0 "[ . 1 . 2]" 1
1906 1 119 VAL MG1 1 120 PRO HD3 . . 4.850 3.963 3.738 4.188 . 0 0 "[ . 1 . 2]" 1
1907 1 119 VAL MG2 1 120 PRO HA . . 4.750 4.415 4.235 4.645 . 0 0 "[ . 1 . 2]" 1
1908 1 119 VAL MG2 1 120 PRO HD2 . . 4.520 3.626 3.571 3.692 . 0 0 "[ . 1 . 2]" 1
1909 1 119 VAL MG2 1 120 PRO QD . . 3.860 3.483 3.434 3.539 . 0 0 "[ . 1 . 2]" 1
1910 1 119 VAL MG2 1 120 PRO HD3 . . 4.520 4.503 4.457 4.548 0.028 8 0 "[ . 1 . 2]" 1
1911 1 119 VAL MG2 1 121 SER H . . 4.840 2.145 1.952 2.473 . 0 0 "[ . 1 . 2]" 1
1912 1 120 PRO HA 1 121 SER H . . 3.260 3.286 3.273 3.297 0.037 7 0 "[ . 1 . 2]" 1
1913 1 120 PRO HG2 1 121 SER H . . 5.500 3.385 3.350 3.424 . 0 0 "[ . 1 . 2]" 1
1914 1 120 PRO HG3 1 121 SER H . . 5.500 4.647 4.620 4.677 . 0 0 "[ . 1 . 2]" 1
1915 1 121 SER H 1 121 SER QB . . 3.570 2.390 2.205 2.881 . 0 0 "[ . 1 . 2]" 1
1916 1 122 GLY QA 1 123 PRO QD . . 2.770 1.932 1.848 2.050 . 0 0 "[ . 1 . 2]" 1
1917 1 123 PRO HA 1 124 PRO HD2 . . 3.640 2.235 1.923 2.561 . 0 0 "[ . 1 . 2]" 1
1918 1 123 PRO HA 1 124 PRO QD . . 3.160 2.010 1.859 2.192 . 0 0 "[ . 1 . 2]" 1
1919 1 123 PRO HA 1 124 PRO HD3 . . 3.640 2.319 2.262 2.465 . 0 0 "[ . 1 . 2]" 1
1920 1 123 PRO HA 1 124 PRO QG . . 4.600 3.919 3.775 4.111 . 0 0 "[ . 1 . 2]" 1
1921 1 123 PRO QB 1 124 PRO QD . . 4.260 2.564 1.947 3.295 . 0 0 "[ . 1 . 2]" 1
1922 1 124 PRO HA 1 125 ARG H . . 2.990 2.403 2.150 3.187 0.197 19 0 "[ . 1 . 2]" 1
1923 1 124 PRO QB 1 125 ARG H . . 4.110 3.039 2.071 3.842 . 0 0 "[ . 1 . 2]" 1
1924 1 125 ARG H 1 125 ARG QB . . 3.580 2.384 2.179 2.707 . 0 0 "[ . 1 . 2]" 1
1925 1 125 ARG H 1 125 ARG QG . . 4.210 3.516 1.941 4.120 . 0 0 "[ . 1 . 2]" 1
1926 1 125 ARG HA 1 125 ARG QD . . 4.650 3.380 2.067 4.201 . 0 0 "[ . 1 . 2]" 1
1927 1 125 ARG HA 1 125 ARG QG . . 3.840 2.567 2.245 3.379 . 0 0 "[ . 1 . 2]" 1
1928 1 125 ARG HA 1 126 LYS H . . 3.360 2.250 2.140 2.559 . 0 0 "[ . 1 . 2]" 1
1929 1 125 ARG QB 1 126 LYS H . . 4.220 3.323 2.149 4.009 . 0 0 "[ . 1 . 2]" 1
1930 1 126 LYS HA 1 126 LYS QG . . 3.700 2.643 2.177 3.437 . 0 0 "[ . 1 . 2]" 1
1931 1 126 LYS HA 1 127 VAL H . . 2.970 2.255 2.144 2.712 . 0 0 "[ . 1 . 2]" 1
1932 1 126 LYS QB 1 127 VAL H . . 4.180 3.424 2.559 3.972 . 0 0 "[ . 1 . 2]" 1
1933 1 127 VAL H 1 127 VAL HB . . 3.710 2.999 2.489 3.705 . 0 0 "[ . 1 . 2]" 1
1934 1 127 VAL H 1 127 VAL QG . . 3.800 2.244 1.831 3.158 . 0 0 "[ . 1 . 2]" 1
1935 1 127 VAL HA 1 127 VAL QG . . 3.300 2.219 2.044 2.370 . 0 0 "[ . 1 . 2]" 1
1936 1 127 VAL HA 1 128 GLU H . . 3.330 2.298 2.150 2.893 . 0 0 "[ . 1 . 2]" 1
1937 1 127 VAL HB 1 128 GLU H . . 4.990 3.854 2.216 4.580 . 0 0 "[ . 1 . 2]" 1
1938 1 127 VAL QG 1 128 GLU H . . 4.900 2.618 1.856 3.577 . 0 0 "[ . 1 . 2]" 1
1939 1 128 GLU H 1 128 GLU QG . . 4.670 3.591 2.081 4.434 . 0 0 "[ . 1 . 2]" 1
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