Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
517683 | 2rrf RC | 11251 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rrf
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 2159
_Distance_constraint_stats_list.Viol_count 419
_Distance_constraint_stats_list.Viol_total 132.972
_Distance_constraint_stats_list.Viol_max 0.262
_Distance_constraint_stats_list.Viol_rms 0.0035
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0159
_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 ALA 0.014 0.014 10 0 "[ . 1 . 2]"
1 9 GLU 0.242 0.086 10 0 "[ . 1 . 2]"
1 10 PHE 0.455 0.262 20 0 "[ . 1 . 2]"
1 11 TYR 0.042 0.038 16 0 "[ . 1 . 2]"
1 12 ASP 0.021 0.010 18 0 "[ . 1 . 2]"
1 13 LYS 0.082 0.065 10 0 "[ . 1 . 2]"
1 14 GLN 0.220 0.065 10 0 "[ . 1 . 2]"
1 15 LEU 0.103 0.053 10 0 "[ . 1 . 2]"
1 16 LYS 0.236 0.054 15 0 "[ . 1 . 2]"
1 17 VAL 0.072 0.054 15 0 "[ . 1 . 2]"
1 18 LEU 0.024 0.008 8 0 "[ . 1 . 2]"
1 19 LEU 0.008 0.005 17 0 "[ . 1 . 2]"
1 20 SER 0.012 0.004 18 0 "[ . 1 . 2]"
1 21 GLY 0.003 0.003 18 0 "[ . 1 . 2]"
1 22 ALA 0.004 0.002 15 0 "[ . 1 . 2]"
1 23 THR 0.005 0.005 6 0 "[ . 1 . 2]"
1 24 PHE 0.009 0.005 16 0 "[ . 1 . 2]"
1 25 LEU 0.118 0.034 15 0 "[ . 1 . 2]"
1 26 VAL 0.016 0.008 18 0 "[ . 1 . 2]"
1 27 THR 0.015 0.009 15 0 "[ . 1 . 2]"
1 28 PHE 0.013 0.008 17 0 "[ . 1 . 2]"
1 29 GLY 0.001 0.001 3 0 "[ . 1 . 2]"
1 30 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 SER 0.269 0.154 17 0 "[ . 1 . 2]"
1 32 GLU 0.182 0.154 17 0 "[ . 1 . 2]"
1 33 LYS 0.205 0.103 17 0 "[ . 1 . 2]"
1 34 PRO 0.076 0.034 15 0 "[ . 1 . 2]"
1 35 GLU 0.061 0.028 9 0 "[ . 1 . 2]"
1 36 THR 0.045 0.028 9 0 "[ . 1 . 2]"
1 37 MET 0.022 0.008 8 0 "[ . 1 . 2]"
1 38 THR 0.002 0.002 19 0 "[ . 1 . 2]"
1 39 CYS 0.003 0.002 19 0 "[ . 1 . 2]"
1 40 ARG 0.003 0.003 13 0 "[ . 1 . 2]"
1 41 LEU 0.168 0.032 14 0 "[ . 1 . 2]"
1 42 SER 0.020 0.007 18 0 "[ . 1 . 2]"
1 43 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 GLN 0.205 0.040 13 0 "[ . 1 . 2]"
1 46 ARG 0.536 0.219 14 0 "[ . 1 . 2]"
1 47 TYR 0.093 0.040 13 0 "[ . 1 . 2]"
1 48 LEU 0.026 0.010 13 0 "[ . 1 . 2]"
1 49 PHE 0.065 0.016 18 0 "[ . 1 . 2]"
1 50 LEU 0.005 0.002 7 0 "[ . 1 . 2]"
1 51 ASP 0.000 0.000 19 0 "[ . 1 . 2]"
1 52 GLY 0.007 0.004 13 0 "[ . 1 . 2]"
1 53 ASP 0.004 0.004 13 0 "[ . 1 . 2]"
1 54 SER 0.002 0.001 20 0 "[ . 1 . 2]"
1 55 HIS 0.048 0.045 7 0 "[ . 1 . 2]"
1 56 TYR 0.016 0.006 7 0 "[ . 1 . 2]"
1 57 GLU 0.120 0.032 13 0 "[ . 1 . 2]"
1 58 ILE 0.044 0.022 4 0 "[ . 1 . 2]"
1 59 GLU 0.032 0.019 10 0 "[ . 1 . 2]"
1 60 ILE 0.110 0.078 4 0 "[ . 1 . 2]"
1 61 VAL 0.008 0.007 15 0 "[ . 1 . 2]"
1 62 HIS 0.001 0.001 5 0 "[ . 1 . 2]"
1 63 ILE 0.217 0.078 4 0 "[ . 1 . 2]"
1 64 SER 0.087 0.034 4 0 "[ . 1 . 2]"
1 65 THR 0.026 0.006 6 0 "[ . 1 . 2]"
1 66 VAL 0.012 0.006 6 0 "[ . 1 . 2]"
1 67 GLN 0.041 0.022 6 0 "[ . 1 . 2]"
1 68 ILE 0.016 0.007 6 0 "[ . 1 . 2]"
1 69 LEU 0.072 0.029 6 0 "[ . 1 . 2]"
1 70 THR 0.004 0.004 1 0 "[ . 1 . 2]"
1 71 GLU 0.218 0.050 15 0 "[ . 1 . 2]"
1 72 GLY 0.020 0.011 15 0 "[ . 1 . 2]"
1 73 PHE 0.008 0.008 19 0 "[ . 1 . 2]"
1 74 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 ARG 0.017 0.007 18 0 "[ . 1 . 2]"
1 82 ALA 0.014 0.007 18 0 "[ . 1 . 2]"
1 83 THR 0.011 0.004 14 0 "[ . 1 . 2]"
1 84 GLY 0.002 0.001 11 0 "[ . 1 . 2]"
1 85 MET 0.019 0.016 5 0 "[ . 1 . 2]"
1 86 PHE 0.032 0.022 6 0 "[ . 1 . 2]"
1 87 LEU 0.018 0.012 8 0 "[ . 1 . 2]"
1 88 GLN 0.046 0.009 6 0 "[ . 1 . 2]"
1 89 TYR 0.012 0.006 20 0 "[ . 1 . 2]"
1 90 THR 0.004 0.003 15 0 "[ . 1 . 2]"
1 91 VAL 0.047 0.015 9 0 "[ . 1 . 2]"
1 92 PRO 0.059 0.041 7 0 "[ . 1 . 2]"
1 93 GLY 0.042 0.041 7 0 "[ . 1 . 2]"
1 94 THR 0.066 0.020 6 0 "[ . 1 . 2]"
1 95 GLU 0.057 0.019 8 0 "[ . 1 . 2]"
1 96 GLY 0.047 0.019 8 0 "[ . 1 . 2]"
1 97 VAL 0.012 0.003 3 0 "[ . 1 . 2]"
1 98 THR 0.018 0.009 6 0 "[ . 1 . 2]"
1 99 GLN 0.006 0.003 11 0 "[ . 1 . 2]"
1 100 LEU 0.004 0.003 11 0 "[ . 1 . 2]"
1 101 LYS 0.051 0.029 6 0 "[ . 1 . 2]"
1 102 LEU 0.004 0.003 15 0 "[ . 1 . 2]"
1 103 THR 0.001 0.001 6 0 "[ . 1 . 2]"
1 104 VAL 0.040 0.015 11 0 "[ . 1 . 2]"
1 105 VAL 0.755 0.246 19 0 "[ . 1 . 2]"
1 106 GLU 1.317 0.246 19 0 "[ . 1 . 2]"
1 107 ASP 0.168 0.082 10 0 "[ . 1 . 2]"
1 108 VAL 0.010 0.006 4 0 "[ . 1 . 2]"
1 109 THR 0.011 0.006 4 0 "[ . 1 . 2]"
1 110 VAL 0.056 0.030 17 0 "[ . 1 . 2]"
1 111 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 ARG 0.115 0.072 6 0 "[ . 1 . 2]"
1 113 ARG 0.090 0.050 4 0 "[ . 1 . 2]"
1 114 GLN 0.056 0.049 9 0 "[ . 1 . 2]"
1 115 ALA 0.002 0.002 4 0 "[ . 1 . 2]"
1 116 VAL 0.043 0.029 17 0 "[ . 1 . 2]"
1 117 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 TRP 0.027 0.006 8 0 "[ . 1 . 2]"
1 119 LEU 0.009 0.005 2 0 "[ . 1 . 2]"
1 120 VAL 0.003 0.003 7 0 "[ . 1 . 2]"
1 121 ALA 0.033 0.014 11 0 "[ . 1 . 2]"
1 122 MET 0.125 0.044 13 0 "[ . 1 . 2]"
1 123 HIS 0.132 0.044 13 0 "[ . 1 . 2]"
1 124 LYS 0.180 0.138 9 0 "[ . 1 . 2]"
1 125 ALA 0.109 0.043 11 0 "[ . 1 . 2]"
1 126 ALA 0.194 0.064 16 0 "[ . 1 . 2]"
1 127 LYS 0.228 0.065 2 0 "[ . 1 . 2]"
1 128 LEU 0.156 0.055 11 0 "[ . 1 . 2]"
1 129 LEU 0.109 0.021 19 0 "[ . 1 . 2]"
1 130 TYR 0.252 0.077 7 0 "[ . 1 . 2]"
1 131 GLU 0.322 0.088 11 0 "[ . 1 . 2]"
1 132 SER 0.222 0.088 11 0 "[ . 1 . 2]"
1 133 ARG 0.225 0.049 19 0 "[ . 1 . 2]"
1 134 ASP 0.088 0.049 19 0 "[ . 1 . 2]"
1 135 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 136 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 137 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 138 PRO 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 ALA H . . 4.660 3.627 2.150 4.589 . 0 0 "[ . 1 . 2]" 1
2 1 7 GLY QA 1 9 GLU H . . 4.960 4.019 3.134 4.848 . 0 0 "[ . 1 . 2]" 1
3 1 8 ALA H 1 8 ALA MB . . 3.380 2.476 2.083 2.944 . 0 0 "[ . 1 . 2]" 1
4 1 8 ALA H 1 9 GLU H . . 4.510 3.461 2.569 4.111 . 0 0 "[ . 1 . 2]" 1
5 1 8 ALA H 1 9 GLU HA . . 5.080 4.852 4.390 5.094 0.014 10 0 "[ . 1 . 2]" 1
6 1 8 ALA HA 1 10 PHE H . . 4.230 3.590 2.941 3.957 . 0 0 "[ . 1 . 2]" 1
7 1 8 ALA HA 1 10 PHE HB2 . . 5.440 5.097 4.406 5.440 . 0 0 "[ . 1 . 2]" 1
8 1 8 ALA HA 1 10 PHE HB3 . . 5.440 4.769 3.691 5.436 . 0 0 "[ . 1 . 2]" 1
9 1 8 ALA MB 1 9 GLU H . . 3.750 3.633 3.449 3.714 . 0 0 "[ . 1 . 2]" 1
10 1 9 GLU H 1 9 GLU QB . . 3.220 2.396 2.139 2.660 . 0 0 "[ . 1 . 2]" 1
11 1 9 GLU H 1 9 GLU HG2 . . 4.570 3.595 1.885 4.572 0.002 17 0 "[ . 1 . 2]" 1
12 1 9 GLU H 1 9 GLU QG . . 3.960 2.860 1.876 3.944 . 0 0 "[ . 1 . 2]" 1
13 1 9 GLU H 1 9 GLU HG3 . . 4.570 3.290 1.897 4.525 . 0 0 "[ . 1 . 2]" 1
14 1 9 GLU H 1 10 PHE H . . 3.860 2.719 1.906 3.185 . 0 0 "[ . 1 . 2]" 1
15 1 9 GLU HA 1 9 GLU HG2 . . 4.100 3.013 2.231 4.133 0.033 6 0 "[ . 1 . 2]" 1
16 1 9 GLU HA 1 9 GLU QG . . 3.530 2.507 2.208 3.332 . 0 0 "[ . 1 . 2]" 1
17 1 9 GLU HA 1 9 GLU HG3 . . 4.100 2.952 2.280 3.974 . 0 0 "[ . 1 . 2]" 1
18 1 9 GLU HA 1 12 ASP HB2 . . 4.140 2.264 2.000 2.688 . 0 0 "[ . 1 . 2]" 1
19 1 9 GLU HA 1 12 ASP HB3 . . 4.140 3.742 3.318 4.142 0.002 15 0 "[ . 1 . 2]" 1
20 1 9 GLU QB 1 10 PHE H . . 3.630 2.666 2.319 3.294 . 0 0 "[ . 1 . 2]" 1
21 1 9 GLU QB 1 10 PHE HA . . 3.950 3.881 3.729 4.036 0.086 10 0 "[ . 1 . 2]" 1
22 1 10 PHE H 1 10 PHE HB2 . . 3.180 2.366 2.179 3.442 0.262 20 0 "[ . 1 . 2]" 1
23 1 10 PHE H 1 10 PHE HB3 . . 3.180 2.780 2.150 3.065 . 0 0 "[ . 1 . 2]" 1
24 1 10 PHE H 1 10 PHE QD . . 4.640 3.995 2.896 4.193 . 0 0 "[ . 1 . 2]" 1
25 1 10 PHE HA 1 10 PHE QD . . 3.890 2.883 2.180 3.612 . 0 0 "[ . 1 . 2]" 1
26 1 10 PHE QB 1 11 TYR H . . 3.220 2.424 2.043 3.203 . 0 0 "[ . 1 . 2]" 1
27 1 11 TYR H 1 11 TYR QB . . 3.060 2.244 2.149 2.345 . 0 0 "[ . 1 . 2]" 1
28 1 11 TYR H 1 12 ASP H . . 3.610 2.582 2.206 2.917 . 0 0 "[ . 1 . 2]" 1
29 1 11 TYR HA 1 11 TYR QD . . 3.520 2.682 2.135 3.091 . 0 0 "[ . 1 . 2]" 1
30 1 11 TYR HA 1 11 TYR QE . . 4.690 4.498 4.215 4.639 . 0 0 "[ . 1 . 2]" 1
31 1 11 TYR HA 1 14 GLN H . . 4.430 3.403 2.991 3.812 . 0 0 "[ . 1 . 2]" 1
32 1 11 TYR HA 1 14 GLN QB . . 4.420 3.265 2.367 4.458 0.038 16 0 "[ . 1 . 2]" 1
33 1 11 TYR HA 1 14 GLN QG . . 4.580 3.192 2.026 4.146 . 0 0 "[ . 1 . 2]" 1
34 1 11 TYR QB 1 12 ASP H . . 3.730 2.613 2.290 3.198 . 0 0 "[ . 1 . 2]" 1
35 1 11 TYR HB2 1 12 ASP H . . 4.240 3.386 2.402 4.240 . 0 0 "[ . 1 . 2]" 1
36 1 11 TYR HB3 1 12 ASP H . . 4.240 2.937 2.313 3.770 . 0 0 "[ . 1 . 2]" 1
37 1 11 TYR QD 1 125 ALA HA . . 4.870 4.439 3.311 4.838 . 0 0 "[ . 1 . 2]" 1
38 1 11 TYR QD 1 125 ALA MB . . 4.470 4.126 3.457 4.471 0.001 19 0 "[ . 1 . 2]" 1
39 1 11 TYR QD 1 128 LEU MD1 . . 4.270 3.385 2.546 4.066 . 0 0 "[ . 1 . 2]" 1
40 1 11 TYR QE 1 125 ALA HA . . 4.260 2.932 2.133 3.792 . 0 0 "[ . 1 . 2]" 1
41 1 11 TYR QE 1 125 ALA MB . . 4.150 3.144 2.073 4.153 0.003 10 0 "[ . 1 . 2]" 1
42 1 12 ASP H 1 12 ASP HB2 . . 3.610 2.359 2.187 2.716 . 0 0 "[ . 1 . 2]" 1
43 1 12 ASP H 1 12 ASP HB3 . . 3.610 3.564 3.493 3.620 0.010 18 0 "[ . 1 . 2]" 1
44 1 12 ASP H 1 13 LYS H . . 3.700 2.798 2.235 3.083 . 0 0 "[ . 1 . 2]" 1
45 1 12 ASP HA 1 15 LEU H . . 4.490 3.452 2.935 3.915 . 0 0 "[ . 1 . 2]" 1
46 1 12 ASP HA 1 15 LEU QB . . 3.840 3.018 2.205 3.839 . 0 0 "[ . 1 . 2]" 1
47 1 12 ASP HA 1 15 LEU HG . . 4.220 2.550 2.000 3.844 . 0 0 "[ . 1 . 2]" 1
48 1 12 ASP QB 1 13 LYS H . . 3.480 2.729 2.052 3.126 . 0 0 "[ . 1 . 2]" 1
49 1 12 ASP QB 1 13 LYS HA . . 4.380 3.891 3.733 4.047 . 0 0 "[ . 1 . 2]" 1
50 1 12 ASP HB2 1 13 LYS H . . 3.990 2.854 2.072 3.282 . 0 0 "[ . 1 . 2]" 1
51 1 12 ASP HB2 1 13 LYS HA . . 4.970 4.586 4.022 4.872 . 0 0 "[ . 1 . 2]" 1
52 1 12 ASP HB3 1 13 LYS H . . 3.990 3.520 3.138 3.941 . 0 0 "[ . 1 . 2]" 1
53 1 12 ASP HB3 1 13 LYS HA . . 4.970 4.226 4.024 4.423 . 0 0 "[ . 1 . 2]" 1
54 1 13 LYS H 1 13 LYS HB2 . . 3.690 2.395 2.180 3.509 . 0 0 "[ . 1 . 2]" 1
55 1 13 LYS H 1 13 LYS QB . . 3.210 2.326 2.159 2.816 . 0 0 "[ . 1 . 2]" 1
56 1 13 LYS H 1 13 LYS HB3 . . 3.690 3.488 2.759 3.600 . 0 0 "[ . 1 . 2]" 1
57 1 13 LYS H 1 13 LYS QD . . 4.950 3.952 2.594 4.424 . 0 0 "[ . 1 . 2]" 1
58 1 13 LYS H 1 13 LYS QE . . 5.500 4.540 2.349 5.496 . 0 0 "[ . 1 . 2]" 1
59 1 13 LYS H 1 13 LYS HG2 . . 4.660 3.266 1.921 4.617 . 0 0 "[ . 1 . 2]" 1
60 1 13 LYS H 1 13 LYS QG . . 3.970 2.646 1.859 3.972 0.002 20 0 "[ . 1 . 2]" 1
61 1 13 LYS H 1 13 LYS HG3 . . 4.660 3.159 2.021 4.331 . 0 0 "[ . 1 . 2]" 1
62 1 13 LYS H 1 14 GLN H . . 3.700 2.670 2.258 3.026 . 0 0 "[ . 1 . 2]" 1
63 1 13 LYS HA 1 13 LYS QD . . 4.620 3.334 2.050 4.418 . 0 0 "[ . 1 . 2]" 1
64 1 13 LYS HA 1 13 LYS QE . . 5.290 3.960 1.973 4.951 . 0 0 "[ . 1 . 2]" 1
65 1 13 LYS HA 1 13 LYS HG2 . . 4.130 2.707 2.280 3.740 . 0 0 "[ . 1 . 2]" 1
66 1 13 LYS HA 1 13 LYS QG . . 3.580 2.474 2.166 3.272 . 0 0 "[ . 1 . 2]" 1
67 1 13 LYS HA 1 13 LYS HG3 . . 4.130 3.184 2.187 3.863 . 0 0 "[ . 1 . 2]" 1
68 1 13 LYS HA 1 16 LYS H . . 4.690 4.082 3.324 4.603 . 0 0 "[ . 1 . 2]" 1
69 1 13 LYS HA 1 16 LYS QD . . 4.870 3.254 1.975 4.798 . 0 0 "[ . 1 . 2]" 1
70 1 13 LYS HA 1 16 LYS QE . . 5.500 3.037 2.023 5.027 . 0 0 "[ . 1 . 2]" 1
71 1 13 LYS HA 1 16 LYS QG . . 4.630 2.849 1.982 4.045 . 0 0 "[ . 1 . 2]" 1
72 1 13 LYS QB 1 13 LYS QD . . 3.020 2.217 2.037 2.525 . 0 0 "[ . 1 . 2]" 1
73 1 13 LYS QB 1 13 LYS QE . . 3.880 2.748 2.029 3.752 . 0 0 "[ . 1 . 2]" 1
74 1 13 LYS QB 1 14 GLN H . . 3.370 2.684 2.131 3.064 . 0 0 "[ . 1 . 2]" 1
75 1 13 LYS QB 1 14 GLN HA . . 4.210 3.906 3.750 4.075 . 0 0 "[ . 1 . 2]" 1
76 1 13 LYS HB2 1 13 LYS QD . . 3.500 2.761 2.097 3.458 . 0 0 "[ . 1 . 2]" 1
77 1 13 LYS HB2 1 14 GLN H . . 3.930 2.854 2.153 3.788 . 0 0 "[ . 1 . 2]" 1
78 1 13 LYS HB3 1 13 LYS QD . . 3.500 2.535 2.059 3.273 . 0 0 "[ . 1 . 2]" 1
79 1 13 LYS HB3 1 14 GLN H . . 3.930 3.474 2.504 3.995 0.065 10 0 "[ . 1 . 2]" 1
80 1 13 LYS QE 1 13 LYS HG2 . . 3.870 2.718 2.075 3.422 . 0 0 "[ . 1 . 2]" 1
81 1 13 LYS QE 1 13 LYS QG . . 3.280 2.267 2.052 2.532 . 0 0 "[ . 1 . 2]" 1
82 1 13 LYS QE 1 13 LYS HG3 . . 3.870 2.764 2.257 3.487 . 0 0 "[ . 1 . 2]" 1
83 1 13 LYS QG 1 14 GLN H . . 4.420 4.111 1.874 4.421 0.001 17 0 "[ . 1 . 2]" 1
84 1 13 LYS HG2 1 14 GLN H . . 5.190 4.703 3.535 5.181 . 0 0 "[ . 1 . 2]" 1
85 1 13 LYS HG3 1 14 GLN H . . 5.190 4.649 1.881 5.178 . 0 0 "[ . 1 . 2]" 1
86 1 14 GLN H 1 14 GLN QB . . 3.360 2.439 2.258 2.687 . 0 0 "[ . 1 . 2]" 1
87 1 14 GLN H 1 14 GLN QE . . 4.610 3.912 3.020 4.613 0.003 15 0 "[ . 1 . 2]" 1
88 1 14 GLN H 1 14 GLN HG2 . . 3.910 3.159 2.000 3.908 . 0 0 "[ . 1 . 2]" 1
89 1 14 GLN H 1 14 GLN QG . . 3.410 2.506 1.906 3.377 . 0 0 "[ . 1 . 2]" 1
90 1 14 GLN H 1 14 GLN HG3 . . 3.910 3.089 1.917 3.909 . 0 0 "[ . 1 . 2]" 1
91 1 14 GLN H 1 15 LEU H . . 3.370 2.539 2.290 2.803 . 0 0 "[ . 1 . 2]" 1
92 1 14 GLN HA 1 14 GLN HG2 . . 4.200 3.164 2.374 4.245 0.045 9 0 "[ . 1 . 2]" 1
93 1 14 GLN HA 1 14 GLN QG . . 3.690 2.738 2.305 3.470 . 0 0 "[ . 1 . 2]" 1
94 1 14 GLN HA 1 14 GLN HG3 . . 4.200 3.253 2.415 4.220 0.020 16 0 "[ . 1 . 2]" 1
95 1 14 GLN HA 1 16 LYS H . . 5.180 4.661 3.928 5.181 0.001 16 0 "[ . 1 . 2]" 1
96 1 14 GLN HA 1 17 VAL H . . 4.100 3.435 2.965 3.718 . 0 0 "[ . 1 . 2]" 1
97 1 14 GLN HA 1 17 VAL HB . . 3.900 2.632 2.187 3.295 . 0 0 "[ . 1 . 2]" 1
98 1 14 GLN HA 1 17 VAL MG2 . . 3.760 2.786 2.137 3.539 . 0 0 "[ . 1 . 2]" 1
99 1 14 GLN HA 1 18 LEU H . . 4.650 4.095 3.529 4.630 . 0 0 "[ . 1 . 2]" 1
100 1 14 GLN HA 1 121 ALA MB . . 4.020 3.199 2.655 3.914 . 0 0 "[ . 1 . 2]" 1
101 1 14 GLN QB 1 15 LEU H . . 3.660 2.790 2.295 3.655 . 0 0 "[ . 1 . 2]" 1
102 1 14 GLN QB 1 15 LEU HA . . 4.380 3.947 3.791 4.377 . 0 0 "[ . 1 . 2]" 1
103 1 14 GLN QB 1 121 ALA MB . . 3.400 2.142 1.768 2.504 . 0 0 "[ . 1 . 2]" 1
104 1 14 GLN QG 1 15 LEU H . . 4.640 3.901 2.066 4.604 . 0 0 "[ . 1 . 2]" 1
105 1 14 GLN QG 1 121 ALA HA . . 4.310 3.384 2.020 4.146 . 0 0 "[ . 1 . 2]" 1
106 1 14 GLN QG 1 121 ALA MB . . 3.660 2.890 2.008 3.657 . 0 0 "[ . 1 . 2]" 1
107 1 14 GLN HG2 1 121 ALA MB . . 4.400 3.479 2.380 4.399 . 0 0 "[ . 1 . 2]" 1
108 1 14 GLN HG3 1 121 ALA MB . . 4.400 3.523 2.021 4.383 . 0 0 "[ . 1 . 2]" 1
109 1 15 LEU H 1 15 LEU QB . . 3.120 2.443 2.136 2.660 . 0 0 "[ . 1 . 2]" 1
110 1 15 LEU H 1 15 LEU MD1 . . 4.340 3.772 3.387 4.207 . 0 0 "[ . 1 . 2]" 1
111 1 15 LEU H 1 15 LEU QD . . 3.720 2.970 2.483 3.359 . 0 0 "[ . 1 . 2]" 1
112 1 15 LEU H 1 15 LEU MD2 . . 4.340 3.124 2.511 3.577 . 0 0 "[ . 1 . 2]" 1
113 1 15 LEU H 1 15 LEU HG . . 3.410 2.370 1.927 3.161 . 0 0 "[ . 1 . 2]" 1
114 1 15 LEU H 1 16 LYS H . . 3.810 2.950 2.465 3.301 . 0 0 "[ . 1 . 2]" 1
115 1 15 LEU HA 1 15 LEU QD . . 3.260 2.469 1.922 3.260 . 12 0 "[ . 1 . 2]" 1
116 1 15 LEU HA 1 18 LEU H . . 4.220 3.521 3.201 3.804 . 0 0 "[ . 1 . 2]" 1
117 1 15 LEU HA 1 18 LEU HB2 . . 4.730 2.819 2.538 3.116 . 0 0 "[ . 1 . 2]" 1
118 1 15 LEU HA 1 18 LEU QB . . 4.160 2.788 2.517 3.075 . 0 0 "[ . 1 . 2]" 1
119 1 15 LEU HA 1 18 LEU HB3 . . 4.730 4.420 4.085 4.724 . 0 0 "[ . 1 . 2]" 1
120 1 15 LEU HA 1 18 LEU MD1 . . 3.950 2.660 2.065 3.243 . 0 0 "[ . 1 . 2]" 1
121 1 15 LEU HA 1 19 LEU H . . 4.470 3.986 3.576 4.361 . 0 0 "[ . 1 . 2]" 1
122 1 15 LEU QB 1 15 LEU MD1 . . 3.230 2.082 2.039 2.145 . 0 0 "[ . 1 . 2]" 1
123 1 15 LEU QB 1 15 LEU QD . . 2.730 1.899 1.812 1.989 . 0 0 "[ . 1 . 2]" 1
124 1 15 LEU QB 1 15 LEU MD2 . . 3.230 2.212 1.993 2.495 . 0 0 "[ . 1 . 2]" 1
125 1 15 LEU QB 1 16 LYS H . . 3.330 2.509 1.916 3.347 0.017 15 0 "[ . 1 . 2]" 1
126 1 15 LEU QB 1 17 VAL H . . 5.450 4.584 4.209 5.148 . 0 0 "[ . 1 . 2]" 1
127 1 15 LEU QB 1 19 LEU H . . 5.130 4.733 4.328 5.128 . 0 0 "[ . 1 . 2]" 1
128 1 15 LEU QD 1 16 LYS H . . 4.250 3.342 2.120 3.905 . 0 0 "[ . 1 . 2]" 1
129 1 15 LEU QD 1 18 LEU H . . 5.440 4.816 4.352 5.110 . 0 0 "[ . 1 . 2]" 1
130 1 15 LEU QD 1 45 GLN QE . . 3.420 2.499 1.820 3.418 . 0 0 "[ . 1 . 2]" 1
131 1 15 LEU QD 1 45 GLN QG . . 4.650 3.848 2.745 4.654 0.004 11 0 "[ . 1 . 2]" 1
132 1 15 LEU MD1 1 16 LYS H . . 4.950 3.561 2.133 4.267 . 0 0 "[ . 1 . 2]" 1
133 1 15 LEU MD2 1 16 LYS H . . 4.950 4.182 3.589 4.641 . 0 0 "[ . 1 . 2]" 1
134 1 15 LEU HG 1 16 LYS H . . 4.090 3.325 1.897 4.143 0.053 10 0 "[ . 1 . 2]" 1
135 1 16 LYS H 1 16 LYS QB . . 2.960 2.398 2.224 2.558 . 0 0 "[ . 1 . 2]" 1
136 1 16 LYS H 1 16 LYS QD . . 4.390 3.948 3.175 4.383 . 0 0 "[ . 1 . 2]" 1
137 1 16 LYS H 1 16 LYS QE . . 4.900 4.434 3.344 4.938 0.038 17 0 "[ . 1 . 2]" 1
138 1 16 LYS H 1 16 LYS QG . . 3.280 2.343 2.091 2.755 . 0 0 "[ . 1 . 2]" 1
139 1 16 LYS H 1 17 VAL H . . 3.600 2.745 2.492 2.955 . 0 0 "[ . 1 . 2]" 1
140 1 16 LYS H 1 17 VAL MG2 . . 4.520 4.287 3.828 4.521 0.001 10 0 "[ . 1 . 2]" 1
141 1 16 LYS H 1 18 LEU H . . 4.780 4.304 4.019 4.624 . 0 0 "[ . 1 . 2]" 1
142 1 16 LYS H 1 19 LEU MD1 . . 4.970 4.271 3.656 4.707 . 0 0 "[ . 1 . 2]" 1
143 1 16 LYS HA 1 16 LYS QD . . 4.430 4.296 4.178 4.462 0.032 10 0 "[ . 1 . 2]" 1
144 1 16 LYS HA 1 16 LYS HG2 . . 3.990 3.796 3.608 3.964 . 0 0 "[ . 1 . 2]" 1
145 1 16 LYS HA 1 16 LYS HG3 . . 3.990 3.697 3.580 3.946 . 0 0 "[ . 1 . 2]" 1
146 1 16 LYS HA 1 18 LEU H . . 4.820 4.515 4.192 4.782 . 0 0 "[ . 1 . 2]" 1
147 1 16 LYS HA 1 19 LEU H . . 4.320 3.894 3.647 4.245 . 0 0 "[ . 1 . 2]" 1
148 1 16 LYS HA 1 19 LEU HB2 . . 5.000 3.081 2.753 3.367 . 0 0 "[ . 1 . 2]" 1
149 1 16 LYS HA 1 19 LEU QB . . 4.260 3.043 2.726 3.316 . 0 0 "[ . 1 . 2]" 1
150 1 16 LYS HA 1 19 LEU HB3 . . 5.000 4.718 4.407 4.996 . 0 0 "[ . 1 . 2]" 1
151 1 16 LYS HA 1 19 LEU MD1 . . 3.690 2.759 2.253 3.201 . 0 0 "[ . 1 . 2]" 1
152 1 16 LYS HA 1 20 SER H . . 4.540 3.921 3.437 4.301 . 0 0 "[ . 1 . 2]" 1
153 1 16 LYS QB 1 16 LYS QD . . 3.330 2.133 2.022 2.231 . 0 0 "[ . 1 . 2]" 1
154 1 16 LYS QB 1 16 LYS QE . . 4.240 3.082 1.982 3.672 . 0 0 "[ . 1 . 2]" 1
155 1 16 LYS QB 1 17 VAL H . . 3.520 3.418 3.257 3.521 0.001 15 0 "[ . 1 . 2]" 1
156 1 16 LYS QB 1 17 VAL HA . . 4.620 4.408 4.186 4.615 . 0 0 "[ . 1 . 2]" 1
157 1 16 LYS QE 1 16 LYS HG2 . . 3.880 2.635 2.117 3.403 . 0 0 "[ . 1 . 2]" 1
158 1 16 LYS QE 1 16 LYS QG . . 3.130 2.227 2.053 2.350 . 0 0 "[ . 1 . 2]" 1
159 1 16 LYS QE 1 16 LYS HG3 . . 3.880 2.675 2.092 3.402 . 0 0 "[ . 1 . 2]" 1
160 1 16 LYS QE 1 17 VAL MG2 . . 4.260 3.183 2.220 4.314 0.054 15 0 "[ . 1 . 2]" 1
161 1 16 LYS QG 1 17 VAL H . . 4.270 2.066 1.862 2.266 . 0 0 "[ . 1 . 2]" 1
162 1 16 LYS QG 1 17 VAL HB . . 5.340 3.837 3.652 3.975 . 0 0 "[ . 1 . 2]" 1
163 1 16 LYS QG 1 17 VAL MG2 . . 3.110 2.193 1.943 2.430 . 0 0 "[ . 1 . 2]" 1
164 1 16 LYS HG2 1 17 VAL MG2 . . 3.550 2.958 2.297 3.537 . 0 0 "[ . 1 . 2]" 1
165 1 16 LYS HG3 1 17 VAL MG2 . . 3.550 2.314 1.979 2.705 . 0 0 "[ . 1 . 2]" 1
166 1 17 VAL H 1 17 VAL HB . . 3.280 2.469 2.345 2.584 . 0 0 "[ . 1 . 2]" 1
167 1 17 VAL H 1 17 VAL MG1 . . 3.940 3.751 3.714 3.778 . 0 0 "[ . 1 . 2]" 1
168 1 17 VAL H 1 17 VAL MG2 . . 3.240 2.283 2.039 2.507 . 0 0 "[ . 1 . 2]" 1
169 1 17 VAL H 1 18 LEU H . . 3.630 2.647 2.469 2.840 . 0 0 "[ . 1 . 2]" 1
170 1 17 VAL H 1 18 LEU HG . . 5.500 4.861 4.528 5.294 . 0 0 "[ . 1 . 2]" 1
171 1 17 VAL H 1 19 LEU H . . 4.760 4.479 4.103 4.759 . 0 0 "[ . 1 . 2]" 1
172 1 17 VAL HA 1 17 VAL MG1 . . 3.370 2.430 2.360 2.491 . 0 0 "[ . 1 . 2]" 1
173 1 17 VAL HA 1 17 VAL MG2 . . 3.170 2.326 2.173 2.450 . 0 0 "[ . 1 . 2]" 1
174 1 17 VAL HA 1 20 SER H . . 4.160 3.913 3.542 4.110 . 0 0 "[ . 1 . 2]" 1
175 1 17 VAL HA 1 20 SER HB2 . . 4.340 3.227 2.621 4.294 . 0 0 "[ . 1 . 2]" 1
176 1 17 VAL HA 1 20 SER QB . . 3.740 2.907 2.592 3.443 . 0 0 "[ . 1 . 2]" 1
177 1 17 VAL HA 1 20 SER HB3 . . 4.340 3.572 2.926 4.342 0.002 7 0 "[ . 1 . 2]" 1
178 1 17 VAL HA 1 21 GLY H . . 4.980 4.719 4.213 4.957 . 0 0 "[ . 1 . 2]" 1
179 1 17 VAL HA 1 114 GLN QE . . 4.520 3.161 2.070 4.013 . 0 0 "[ . 1 . 2]" 1
180 1 17 VAL HB 1 18 LEU H . . 3.610 2.590 2.359 2.794 . 0 0 "[ . 1 . 2]" 1
181 1 17 VAL HB 1 18 LEU HG . . 4.430 3.692 3.295 4.009 . 0 0 "[ . 1 . 2]" 1
182 1 17 VAL HB 1 121 ALA MB . . 3.750 3.421 2.888 3.753 0.003 8 0 "[ . 1 . 2]" 1
183 1 17 VAL MG1 1 18 LEU H . . 3.920 3.357 3.102 3.628 . 0 0 "[ . 1 . 2]" 1
184 1 17 VAL MG1 1 18 LEU HA . . 4.030 3.440 3.162 3.604 . 0 0 "[ . 1 . 2]" 1
185 1 17 VAL MG1 1 21 GLY H . . 4.960 4.464 4.091 4.712 . 0 0 "[ . 1 . 2]" 1
186 1 17 VAL MG1 1 114 GLN HA . . 4.460 3.646 2.962 4.143 . 0 0 "[ . 1 . 2]" 1
187 1 17 VAL MG1 1 114 GLN HE21 . . 4.300 3.074 1.914 4.207 . 0 0 "[ . 1 . 2]" 1
188 1 17 VAL MG1 1 114 GLN QE . . 3.730 2.519 1.854 3.613 . 0 0 "[ . 1 . 2]" 1
189 1 17 VAL MG1 1 114 GLN HE22 . . 4.300 2.901 2.004 4.207 . 0 0 "[ . 1 . 2]" 1
190 1 17 VAL MG1 1 117 ALA MB . . 3.400 2.047 1.845 2.322 . 0 0 "[ . 1 . 2]" 1
191 1 17 VAL MG1 1 118 TRP H . . 3.840 3.142 2.617 3.732 . 0 0 "[ . 1 . 2]" 1
192 1 17 VAL MG1 1 118 TRP HA . . 3.250 2.573 2.153 3.010 . 0 0 "[ . 1 . 2]" 1
193 1 17 VAL MG1 1 118 TRP QB . . 3.980 2.857 2.385 3.130 . 0 0 "[ . 1 . 2]" 1
194 1 17 VAL MG1 1 118 TRP HD1 . . 3.640 3.218 2.793 3.525 . 0 0 "[ . 1 . 2]" 1
195 1 17 VAL MG1 1 118 TRP HE1 . . 5.500 5.272 4.883 5.489 . 0 0 "[ . 1 . 2]" 1
196 1 17 VAL MG1 1 119 LEU H . . 5.500 4.992 4.521 5.400 . 0 0 "[ . 1 . 2]" 1
197 1 17 VAL MG1 1 121 ALA MB . . 3.200 3.080 2.526 3.202 0.002 11 0 "[ . 1 . 2]" 1
198 1 17 VAL MG2 1 18 LEU H . . 4.020 3.874 3.708 3.997 . 0 0 "[ . 1 . 2]" 1
199 1 17 VAL MG2 1 117 ALA MB . . 3.520 2.963 2.360 3.507 . 0 0 "[ . 1 . 2]" 1
200 1 18 LEU H 1 18 LEU HB2 . . 3.990 2.304 2.158 2.496 . 0 0 "[ . 1 . 2]" 1
201 1 18 LEU H 1 18 LEU QB . . 3.380 2.275 2.138 2.452 . 0 0 "[ . 1 . 2]" 1
202 1 18 LEU H 1 18 LEU HB3 . . 3.990 3.543 3.475 3.584 . 0 0 "[ . 1 . 2]" 1
203 1 18 LEU H 1 18 LEU MD1 . . 3.990 3.538 3.289 3.774 . 0 0 "[ . 1 . 2]" 1
204 1 18 LEU H 1 18 LEU MD2 . . 4.140 3.781 3.477 3.949 . 0 0 "[ . 1 . 2]" 1
205 1 18 LEU H 1 18 LEU HG . . 3.470 2.633 2.209 3.024 . 0 0 "[ . 1 . 2]" 1
206 1 18 LEU H 1 19 LEU H . . 3.880 2.848 2.713 2.987 . 0 0 "[ . 1 . 2]" 1
207 1 18 LEU H 1 19 LEU HG . . 4.680 4.553 4.351 4.669 . 0 0 "[ . 1 . 2]" 1
208 1 18 LEU H 1 20 SER H . . 5.140 4.279 3.933 4.537 . 0 0 "[ . 1 . 2]" 1
209 1 18 LEU H 1 41 LEU MD1 . . 5.500 4.898 4.485 5.135 . 0 0 "[ . 1 . 2]" 1
210 1 18 LEU H 1 121 ALA MB . . 4.050 3.910 3.484 4.058 0.008 8 0 "[ . 1 . 2]" 1
211 1 18 LEU HA 1 18 LEU MD1 . . 4.660 3.854 3.813 3.914 . 0 0 "[ . 1 . 2]" 1
212 1 18 LEU HA 1 18 LEU MD2 . . 3.550 2.160 1.961 2.471 . 0 0 "[ . 1 . 2]" 1
213 1 18 LEU HA 1 41 LEU H . . 5.330 4.813 4.115 5.220 . 0 0 "[ . 1 . 2]" 1
214 1 18 LEU HA 1 118 TRP HD1 . . 3.780 2.116 2.000 2.486 . 0 0 "[ . 1 . 2]" 1
215 1 18 LEU HA 1 118 TRP HE1 . . 3.350 2.765 2.400 3.102 . 0 0 "[ . 1 . 2]" 1
216 1 18 LEU HA 1 121 ALA MB . . 4.370 3.977 3.565 4.264 . 0 0 "[ . 1 . 2]" 1
217 1 18 LEU QB 1 19 LEU H . . 3.640 2.285 2.120 2.579 . 0 0 "[ . 1 . 2]" 1
218 1 18 LEU QB 1 41 LEU HB3 . . 4.660 3.964 3.539 4.247 . 0 0 "[ . 1 . 2]" 1
219 1 18 LEU QB 1 41 LEU MD1 . . 3.650 1.961 1.799 2.059 . 0 0 "[ . 1 . 2]" 1
220 1 18 LEU QB 1 118 TRP HE1 . . 4.360 3.502 3.208 3.717 . 0 0 "[ . 1 . 2]" 1
221 1 18 LEU HB2 1 19 LEU H . . 4.390 2.366 2.173 2.689 . 0 0 "[ . 1 . 2]" 1
222 1 18 LEU HB2 1 41 LEU MD1 . . 4.160 3.125 2.585 3.470 . 0 0 "[ . 1 . 2]" 1
223 1 18 LEU HB2 1 118 TRP HE1 . . 5.070 4.951 4.652 5.073 0.003 3 0 "[ . 1 . 2]" 1
224 1 18 LEU HB3 1 19 LEU H . . 4.390 3.059 2.651 3.540 . 0 0 "[ . 1 . 2]" 1
225 1 18 LEU HB3 1 41 LEU MD1 . . 4.160 1.984 1.835 2.080 . 0 0 "[ . 1 . 2]" 1
226 1 18 LEU HB3 1 118 TRP HE1 . . 5.070 3.581 3.270 3.823 . 0 0 "[ . 1 . 2]" 1
227 1 18 LEU MD1 1 41 LEU MD1 . . 3.240 2.065 1.807 2.328 . 0 0 "[ . 1 . 2]" 1
228 1 18 LEU MD1 1 121 ALA MB . . 3.300 2.526 1.964 3.180 . 0 0 "[ . 1 . 2]" 1
229 1 18 LEU MD1 1 122 MET HA . . 4.000 2.840 1.993 3.891 . 0 0 "[ . 1 . 2]" 1
230 1 18 LEU MD1 1 125 ALA MB . . 3.880 2.529 1.775 2.888 . 0 0 "[ . 1 . 2]" 1
231 1 18 LEU MD2 1 41 LEU MD1 . . 3.620 1.982 1.810 2.198 . 0 0 "[ . 1 . 2]" 1
232 1 18 LEU MD2 1 118 TRP HA . . 4.390 2.838 2.218 3.279 . 0 0 "[ . 1 . 2]" 1
233 1 18 LEU MD2 1 118 TRP HD1 . . 4.400 3.188 2.896 3.794 . 0 0 "[ . 1 . 2]" 1
234 1 18 LEU MD2 1 118 TRP HE1 . . 4.030 2.802 2.331 3.264 . 0 0 "[ . 1 . 2]" 1
235 1 18 LEU MD2 1 118 TRP HZ2 . . 4.750 3.529 3.062 4.010 . 0 0 "[ . 1 . 2]" 1
236 1 18 LEU MD2 1 121 ALA H . . 4.640 4.188 3.785 4.556 . 0 0 "[ . 1 . 2]" 1
237 1 18 LEU MD2 1 121 ALA MB . . 3.360 2.235 1.933 2.822 . 0 0 "[ . 1 . 2]" 1
238 1 18 LEU MD2 1 122 MET H . . 3.750 2.631 2.159 3.088 . 0 0 "[ . 1 . 2]" 1
239 1 18 LEU MD2 1 122 MET HA . . 3.780 2.322 1.902 2.780 . 0 0 "[ . 1 . 2]" 1
240 1 18 LEU MD2 1 122 MET HB2 . . 4.760 2.576 1.907 3.194 . 0 0 "[ . 1 . 2]" 1
241 1 18 LEU MD2 1 122 MET QB . . 3.960 2.536 1.894 3.123 . 0 0 "[ . 1 . 2]" 1
242 1 18 LEU MD2 1 122 MET HB3 . . 4.760 3.815 3.252 4.404 . 0 0 "[ . 1 . 2]" 1
243 1 18 LEU HG 1 19 LEU H . . 5.390 4.508 4.274 4.703 . 0 0 "[ . 1 . 2]" 1
244 1 18 LEU HG 1 41 LEU MD1 . . 4.040 3.808 3.512 4.038 . 0 0 "[ . 1 . 2]" 1
245 1 18 LEU HG 1 121 ALA MB . . 3.370 2.162 1.948 2.707 . 0 0 "[ . 1 . 2]" 1
246 1 19 LEU H 1 19 LEU HB2 . . 3.730 2.570 2.387 2.694 . 0 0 "[ . 1 . 2]" 1
247 1 19 LEU H 1 19 LEU QB . . 3.180 2.515 2.354 2.620 . 0 0 "[ . 1 . 2]" 1
248 1 19 LEU H 1 19 LEU HB3 . . 3.730 3.589 3.571 3.607 . 0 0 "[ . 1 . 2]" 1
249 1 19 LEU H 1 19 LEU MD1 . . 4.160 3.438 3.185 3.618 . 0 0 "[ . 1 . 2]" 1
250 1 19 LEU H 1 19 LEU MD2 . . 3.680 3.380 3.165 3.620 . 0 0 "[ . 1 . 2]" 1
251 1 19 LEU H 1 19 LEU HG . . 3.360 2.113 1.902 2.418 . 0 0 "[ . 1 . 2]" 1
252 1 19 LEU H 1 20 SER H . . 3.540 2.926 2.708 3.147 . 0 0 "[ . 1 . 2]" 1
253 1 19 LEU H 1 21 GLY H . . 4.760 4.436 4.251 4.649 . 0 0 "[ . 1 . 2]" 1
254 1 19 LEU H 1 41 LEU HB2 . . 4.530 4.146 3.741 4.492 . 0 0 "[ . 1 . 2]" 1
255 1 19 LEU HA 1 19 LEU MD1 . . 4.060 3.912 3.857 3.946 . 0 0 "[ . 1 . 2]" 1
256 1 19 LEU HA 1 19 LEU MD2 . . 3.370 2.167 1.967 2.442 . 0 0 "[ . 1 . 2]" 1
257 1 19 LEU HA 1 41 LEU H . . 3.970 2.827 2.327 3.133 . 0 0 "[ . 1 . 2]" 1
258 1 19 LEU HA 1 41 LEU HB3 . . 4.660 4.364 3.199 4.665 0.005 17 0 "[ . 1 . 2]" 1
259 1 19 LEU QB 1 19 LEU MD2 . . 3.110 2.227 2.104 2.317 . 0 0 "[ . 1 . 2]" 1
260 1 19 LEU QB 1 20 SER H . . 3.400 2.323 2.125 2.490 . 0 0 "[ . 1 . 2]" 1
261 1 19 LEU HB2 1 19 LEU MD1 . . 3.290 2.127 1.996 2.372 . 0 0 "[ . 1 . 2]" 1
262 1 19 LEU HB2 1 19 LEU MD2 . . 3.630 3.174 3.137 3.193 . 0 0 "[ . 1 . 2]" 1
263 1 19 LEU HB2 1 20 SER H . . 3.980 2.362 2.153 2.529 . 0 0 "[ . 1 . 2]" 1
264 1 19 LEU HB3 1 19 LEU MD1 . . 3.290 2.520 2.278 2.642 . 0 0 "[ . 1 . 2]" 1
265 1 19 LEU HB3 1 19 LEU MD2 . . 3.630 2.275 2.136 2.379 . 0 0 "[ . 1 . 2]" 1
266 1 19 LEU HB3 1 20 SER H . . 3.980 3.436 3.200 3.718 . 0 0 "[ . 1 . 2]" 1
267 1 19 LEU MD1 1 20 SER H . . 4.220 4.128 3.829 4.223 0.003 13 0 "[ . 1 . 2]" 1
268 1 19 LEU MD1 1 43 ASN HA . . 4.460 3.941 3.512 4.444 . 0 0 "[ . 1 . 2]" 1
269 1 19 LEU MD2 1 41 LEU H . . 4.470 3.792 3.283 4.337 . 0 0 "[ . 1 . 2]" 1
270 1 19 LEU MD2 1 41 LEU HB2 . . 4.530 3.197 2.473 4.020 . 0 0 "[ . 1 . 2]" 1
271 1 19 LEU MD2 1 41 LEU HB3 . . 4.220 3.233 2.401 3.869 . 0 0 "[ . 1 . 2]" 1
272 1 19 LEU MD2 1 43 ASN H . . 4.620 4.254 3.853 4.568 . 0 0 "[ . 1 . 2]" 1
273 1 19 LEU MD2 1 43 ASN HA . . 3.320 2.710 2.093 3.114 . 0 0 "[ . 1 . 2]" 1
274 1 19 LEU MD2 1 45 GLN HG2 . . 4.280 2.890 2.070 3.800 . 0 0 "[ . 1 . 2]" 1
275 1 19 LEU MD2 1 45 GLN QG . . 3.650 2.493 1.892 3.325 . 0 0 "[ . 1 . 2]" 1
276 1 19 LEU MD2 1 45 GLN HG3 . . 4.280 2.931 2.003 4.279 . 0 0 "[ . 1 . 2]" 1
277 1 19 LEU HG 1 20 SER H . . 4.410 4.262 4.121 4.396 . 0 0 "[ . 1 . 2]" 1
278 1 20 SER H 1 20 SER HB2 . . 3.600 2.419 2.224 3.604 0.004 18 0 "[ . 1 . 2]" 1
279 1 20 SER H 1 20 SER QB . . 3.050 2.275 2.165 2.731 . 0 0 "[ . 1 . 2]" 1
280 1 20 SER H 1 20 SER HB3 . . 3.600 3.036 2.481 3.591 . 0 0 "[ . 1 . 2]" 1
281 1 20 SER H 1 21 GLY H . . 3.390 3.006 2.908 3.088 . 0 0 "[ . 1 . 2]" 1
282 1 20 SER QB 1 21 GLY H . . 3.220 2.527 2.249 3.223 0.003 18 0 "[ . 1 . 2]" 1
283 1 20 SER QB 1 114 GLN QE . . 4.410 3.078 2.394 4.174 . 0 0 "[ . 1 . 2]" 1
284 1 20 SER HB2 1 21 GLY H . . 4.100 3.395 2.371 3.893 . 0 0 "[ . 1 . 2]" 1
285 1 20 SER HB3 1 21 GLY H . . 4.100 2.801 2.277 3.790 . 0 0 "[ . 1 . 2]" 1
286 1 21 GLY H 1 22 ALA H . . 4.270 4.019 3.752 4.259 . 0 0 "[ . 1 . 2]" 1
287 1 21 GLY H 1 22 ALA MB . . 5.400 4.535 4.368 4.780 . 0 0 "[ . 1 . 2]" 1
288 1 21 GLY H 1 40 ARG HA . . 4.520 4.241 3.929 4.520 . 0 0 "[ . 1 . 2]" 1
289 1 21 GLY H 1 40 ARG HB2 . . 4.650 4.014 3.520 4.463 . 0 0 "[ . 1 . 2]" 1
290 1 21 GLY H 1 40 ARG HB3 . . 4.670 4.385 3.920 4.655 . 0 0 "[ . 1 . 2]" 1
291 1 21 GLY H 1 118 TRP HE1 . . 4.120 3.885 3.580 4.104 . 0 0 "[ . 1 . 2]" 1
292 1 21 GLY QA 1 39 CYS H . . 4.920 4.326 3.912 4.609 . 0 0 "[ . 1 . 2]" 1
293 1 21 GLY QA 1 40 ARG HA . . 4.060 2.641 2.171 3.036 . 0 0 "[ . 1 . 2]" 1
294 1 21 GLY QA 1 40 ARG HB2 . . 3.980 2.813 2.583 3.002 . 0 0 "[ . 1 . 2]" 1
295 1 21 GLY QA 1 40 ARG HB3 . . 4.120 2.204 1.909 2.560 . 0 0 "[ . 1 . 2]" 1
296 1 21 GLY QA 1 41 LEU H . . 5.340 4.123 3.569 4.495 . 0 0 "[ . 1 . 2]" 1
297 1 21 GLY QA 1 118 TRP HD1 . . 4.490 3.304 2.743 3.720 . 0 0 "[ . 1 . 2]" 1
298 1 21 GLY QA 1 118 TRP HE1 . . 3.920 3.063 2.612 3.450 . 0 0 "[ . 1 . 2]" 1
299 1 21 GLY HA2 1 22 ALA H . . 3.270 2.187 2.138 2.296 . 0 0 "[ . 1 . 2]" 1
300 1 21 GLY HA2 1 40 ARG HA . . 4.610 2.706 2.230 3.107 . 0 0 "[ . 1 . 2]" 1
301 1 21 GLY HA2 1 40 ARG HB2 . . 4.550 3.216 2.886 3.539 . 0 0 "[ . 1 . 2]" 1
302 1 21 GLY HA2 1 40 ARG HB3 . . 4.830 2.770 2.145 3.069 . 0 0 "[ . 1 . 2]" 1
303 1 21 GLY HA3 1 22 ALA H . . 3.270 3.081 2.875 3.243 . 0 0 "[ . 1 . 2]" 1
304 1 21 GLY HA3 1 40 ARG HA . . 4.610 3.705 2.983 4.288 . 0 0 "[ . 1 . 2]" 1
305 1 21 GLY HA3 1 40 ARG HB2 . . 4.550 3.131 2.828 3.435 . 0 0 "[ . 1 . 2]" 1
306 1 21 GLY HA3 1 40 ARG HB3 . . 4.830 2.348 2.016 2.780 . 0 0 "[ . 1 . 2]" 1
307 1 22 ALA H 1 22 ALA MB . . 3.390 2.463 2.299 2.602 . 0 0 "[ . 1 . 2]" 1
308 1 22 ALA H 1 23 THR HA . . 5.490 4.955 4.781 5.076 . 0 0 "[ . 1 . 2]" 1
309 1 22 ALA H 1 24 PHE HZ . . 4.940 4.388 3.270 4.939 . 0 0 "[ . 1 . 2]" 1
310 1 22 ALA H 1 38 THR HA . . 5.500 4.865 4.547 5.058 . 0 0 "[ . 1 . 2]" 1
311 1 22 ALA H 1 38 THR MG . . 3.830 3.433 2.904 3.742 . 0 0 "[ . 1 . 2]" 1
312 1 22 ALA H 1 39 CYS H . . 3.610 3.405 3.143 3.610 0.000 14 0 "[ . 1 . 2]" 1
313 1 22 ALA H 1 40 ARG HA . . 4.460 3.985 3.617 4.432 . 0 0 "[ . 1 . 2]" 1
314 1 22 ALA H 1 40 ARG HB2 . . 5.240 5.101 4.785 5.239 . 0 0 "[ . 1 . 2]" 1
315 1 22 ALA H 1 40 ARG HB3 . . 4.450 4.100 3.596 4.443 . 0 0 "[ . 1 . 2]" 1
316 1 22 ALA H 1 118 TRP HE1 . . 4.760 4.037 3.562 4.534 . 0 0 "[ . 1 . 2]" 1
317 1 22 ALA HA 1 23 THR H . . 3.150 2.411 2.195 2.631 . 0 0 "[ . 1 . 2]" 1
318 1 22 ALA HA 1 23 THR HB . . 5.120 4.939 4.829 5.087 . 0 0 "[ . 1 . 2]" 1
319 1 22 ALA HA 1 114 GLN QG . . 4.580 3.687 3.183 4.578 . 0 0 "[ . 1 . 2]" 1
320 1 22 ALA MB 1 23 THR H . . 3.090 2.476 1.995 2.980 . 0 0 "[ . 1 . 2]" 1
321 1 22 ALA MB 1 24 PHE QD . . 4.110 3.714 3.554 3.952 . 0 0 "[ . 1 . 2]" 1
322 1 22 ALA MB 1 24 PHE QE . . 3.640 2.304 2.008 2.796 . 0 0 "[ . 1 . 2]" 1
323 1 22 ALA MB 1 24 PHE HZ . . 3.840 2.178 1.932 2.444 . 0 0 "[ . 1 . 2]" 1
324 1 22 ALA MB 1 39 CYS H . . 4.740 4.432 4.197 4.720 . 0 0 "[ . 1 . 2]" 1
325 1 22 ALA MB 1 114 GLN QG . . 3.630 2.594 1.996 3.631 0.001 3 0 "[ . 1 . 2]" 1
326 1 22 ALA MB 1 115 ALA H . . 3.860 3.658 2.661 3.860 . 17 0 "[ . 1 . 2]" 1
327 1 22 ALA MB 1 115 ALA HA . . 3.110 2.323 2.063 2.569 . 0 0 "[ . 1 . 2]" 1
328 1 22 ALA MB 1 115 ALA MB . . 3.340 2.924 2.578 3.326 . 0 0 "[ . 1 . 2]" 1
329 1 22 ALA MB 1 118 TRP H . . 4.190 4.088 3.812 4.192 0.002 15 0 "[ . 1 . 2]" 1
330 1 22 ALA MB 1 118 TRP HB2 . . 3.720 2.687 2.386 2.908 . 0 0 "[ . 1 . 2]" 1
331 1 22 ALA MB 1 118 TRP QB . . 3.210 2.453 2.161 2.736 . 0 0 "[ . 1 . 2]" 1
332 1 22 ALA MB 1 118 TRP HB3 . . 3.720 2.863 2.454 3.333 . 0 0 "[ . 1 . 2]" 1
333 1 22 ALA MB 1 118 TRP HD1 . . 3.980 3.431 2.966 3.849 . 0 0 "[ . 1 . 2]" 1
334 1 22 ALA MB 1 118 TRP HE1 . . 5.500 4.727 4.165 5.243 . 0 0 "[ . 1 . 2]" 1
335 1 22 ALA MB 1 119 LEU H . . 5.500 4.831 4.494 5.062 . 0 0 "[ . 1 . 2]" 1
336 1 23 THR H 1 23 THR HB . . 3.260 2.641 2.565 2.729 . 0 0 "[ . 1 . 2]" 1
337 1 23 THR H 1 24 PHE H . . 4.980 4.566 4.485 4.608 . 0 0 "[ . 1 . 2]" 1
338 1 23 THR HA 1 24 PHE H . . 3.100 2.229 2.161 2.265 . 0 0 "[ . 1 . 2]" 1
339 1 23 THR HB 1 24 PHE H . . 4.450 3.846 3.705 3.999 . 0 0 "[ . 1 . 2]" 1
340 1 23 THR HB 1 24 PHE HA . . 4.520 4.464 4.348 4.520 . 0 0 "[ . 1 . 2]" 1
341 1 23 THR MG 1 24 PHE H . . 3.400 2.079 1.882 2.361 . 0 0 "[ . 1 . 2]" 1
342 1 23 THR MG 1 36 THR HB . . 4.270 4.162 3.958 4.275 0.005 6 0 "[ . 1 . 2]" 1
343 1 23 THR MG 1 37 MET H . . 4.140 3.225 2.940 3.556 . 0 0 "[ . 1 . 2]" 1
344 1 24 PHE H 1 24 PHE QB . . 3.400 2.888 2.744 2.981 . 0 0 "[ . 1 . 2]" 1
345 1 24 PHE H 1 24 PHE QD . . 4.020 3.340 2.680 3.788 . 0 0 "[ . 1 . 2]" 1
346 1 24 PHE H 1 25 LEU H . . 4.410 4.374 4.318 4.415 0.005 16 0 "[ . 1 . 2]" 1
347 1 24 PHE H 1 36 THR MG . . 3.990 3.730 3.446 3.908 . 0 0 "[ . 1 . 2]" 1
348 1 24 PHE H 1 37 MET H . . 3.910 3.119 2.903 3.396 . 0 0 "[ . 1 . 2]" 1
349 1 24 PHE H 1 37 MET HA . . 5.010 4.850 4.706 4.985 . 0 0 "[ . 1 . 2]" 1
350 1 24 PHE H 1 39 CYS H . . 4.630 4.346 3.880 4.615 . 0 0 "[ . 1 . 2]" 1
351 1 24 PHE H 1 102 LEU MD2 . . 5.500 4.826 4.459 5.104 . 0 0 "[ . 1 . 2]" 1
352 1 24 PHE HA 1 24 PHE QD . . 4.390 2.758 2.052 3.164 . 0 0 "[ . 1 . 2]" 1
353 1 24 PHE HA 1 25 LEU H . . 3.430 2.416 2.277 2.597 . 0 0 "[ . 1 . 2]" 1
354 1 24 PHE HA 1 25 LEU HB2 . . 4.560 4.427 4.315 4.563 0.003 19 0 "[ . 1 . 2]" 1
355 1 24 PHE HA 1 25 LEU HG . . 4.950 4.155 3.767 4.410 . 0 0 "[ . 1 . 2]" 1
356 1 24 PHE HA 1 103 THR H . . 4.390 3.781 3.478 4.062 . 0 0 "[ . 1 . 2]" 1
357 1 24 PHE HA 1 104 VAL HA . . 3.880 3.430 3.002 3.879 . 0 0 "[ . 1 . 2]" 1
358 1 24 PHE HA 1 105 VAL H . . 5.180 3.844 3.106 4.305 . 0 0 "[ . 1 . 2]" 1
359 1 24 PHE QB 1 25 LEU H . . 3.480 2.411 2.048 2.712 . 0 0 "[ . 1 . 2]" 1
360 1 24 PHE QB 1 26 VAL MG2 . . 3.680 3.276 3.108 3.457 . 0 0 "[ . 1 . 2]" 1
361 1 24 PHE QB 1 37 MET H . . 5.290 4.432 4.244 4.596 . 0 0 "[ . 1 . 2]" 1
362 1 24 PHE QB 1 102 LEU MD2 . . 3.470 2.216 1.954 2.729 . 0 0 "[ . 1 . 2]" 1
363 1 24 PHE QB 1 103 THR H . . 3.830 2.699 2.376 3.025 . 0 0 "[ . 1 . 2]" 1
364 1 24 PHE HB2 1 25 LEU H . . 4.060 3.507 3.093 3.828 . 0 0 "[ . 1 . 2]" 1
365 1 24 PHE HB2 1 26 VAL MG2 . . 4.400 3.439 3.219 3.647 . 0 0 "[ . 1 . 2]" 1
366 1 24 PHE HB2 1 102 LEU MD2 . . 4.140 2.395 2.008 2.883 . 0 0 "[ . 1 . 2]" 1
367 1 24 PHE HB2 1 103 THR H . . 4.590 4.236 3.919 4.528 . 0 0 "[ . 1 . 2]" 1
368 1 24 PHE HB3 1 25 LEU H . . 4.060 2.458 2.071 2.781 . 0 0 "[ . 1 . 2]" 1
369 1 24 PHE HB3 1 26 VAL MG2 . . 4.400 4.139 3.787 4.392 . 0 0 "[ . 1 . 2]" 1
370 1 24 PHE HB3 1 102 LEU MD2 . . 4.140 2.660 2.215 3.374 . 0 0 "[ . 1 . 2]" 1
371 1 24 PHE HB3 1 103 THR H . . 4.590 2.731 2.393 3.073 . 0 0 "[ . 1 . 2]" 1
372 1 24 PHE QD 1 39 CYS H . . 4.590 2.887 2.089 4.509 . 0 0 "[ . 1 . 2]" 1
373 1 24 PHE QD 1 39 CYS HB2 . . 4.180 2.479 2.021 2.996 . 0 0 "[ . 1 . 2]" 1
374 1 24 PHE QD 1 39 CYS HB3 . . 4.180 3.451 2.565 4.158 . 0 0 "[ . 1 . 2]" 1
375 1 24 PHE QD 1 102 LEU MD2 . . 3.900 3.588 2.984 3.839 . 0 0 "[ . 1 . 2]" 1
376 1 24 PHE QD 1 103 THR H . . 4.420 3.931 3.373 4.294 . 0 0 "[ . 1 . 2]" 1
377 1 24 PHE QD 1 104 VAL HA . . 4.120 3.237 2.492 4.016 . 0 0 "[ . 1 . 2]" 1
378 1 24 PHE QD 1 104 VAL MG2 . . 4.630 3.171 2.178 3.887 . 0 0 "[ . 1 . 2]" 1
379 1 24 PHE QD 1 115 ALA MB . . 4.530 3.418 2.918 3.775 . 0 0 "[ . 1 . 2]" 1
380 1 24 PHE QD 1 119 LEU MD1 . . 4.580 3.858 3.278 4.534 . 0 0 "[ . 1 . 2]" 1
381 1 24 PHE QD 1 119 LEU MD2 . . 4.020 3.158 2.606 3.656 . 0 0 "[ . 1 . 2]" 1
382 1 24 PHE QE 1 39 CYS HB2 . . 4.600 3.200 2.173 4.502 . 0 0 "[ . 1 . 2]" 1
383 1 24 PHE QE 1 39 CYS HB3 . . 4.600 3.577 2.385 4.496 . 0 0 "[ . 1 . 2]" 1
384 1 24 PHE QE 1 102 LEU MD2 . . 5.500 5.064 4.832 5.273 . 0 0 "[ . 1 . 2]" 1
385 1 24 PHE QE 1 115 ALA MB . . 3.900 2.228 1.905 3.152 . 0 0 "[ . 1 . 2]" 1
386 1 24 PHE QE 1 119 LEU H . . 4.570 4.062 3.446 4.434 . 0 0 "[ . 1 . 2]" 1
387 1 24 PHE QE 1 119 LEU MD1 . . 4.080 2.991 2.441 3.928 . 0 0 "[ . 1 . 2]" 1
388 1 24 PHE QE 1 119 LEU MD2 . . 3.800 2.612 2.027 3.176 . 0 0 "[ . 1 . 2]" 1
389 1 24 PHE QE 1 119 LEU HG . . 4.460 2.619 2.149 3.522 . 0 0 "[ . 1 . 2]" 1
390 1 24 PHE HZ 1 115 ALA HA . . 4.620 2.611 2.080 3.314 . 0 0 "[ . 1 . 2]" 1
391 1 24 PHE HZ 1 115 ALA MB . . 4.510 3.376 2.768 4.068 . 0 0 "[ . 1 . 2]" 1
392 1 24 PHE HZ 1 118 TRP H . . 4.810 4.225 3.767 4.627 . 0 0 "[ . 1 . 2]" 1
393 1 24 PHE HZ 1 118 TRP HB2 . . 4.810 3.317 2.638 3.864 . 0 0 "[ . 1 . 2]" 1
394 1 24 PHE HZ 1 118 TRP QB . . 4.180 2.057 1.963 2.254 . 0 0 "[ . 1 . 2]" 1
395 1 24 PHE HZ 1 118 TRP HB3 . . 4.810 2.080 2.001 2.272 . 0 0 "[ . 1 . 2]" 1
396 1 24 PHE HZ 1 118 TRP HE3 . . 4.210 3.259 2.529 4.017 . 0 0 "[ . 1 . 2]" 1
397 1 24 PHE HZ 1 119 LEU H . . 4.400 3.777 3.274 4.361 . 0 0 "[ . 1 . 2]" 1
398 1 24 PHE HZ 1 119 LEU MD2 . . 4.390 3.470 2.765 4.112 . 0 0 "[ . 1 . 2]" 1
399 1 24 PHE HZ 1 119 LEU HG . . 4.600 3.406 2.818 4.377 . 0 0 "[ . 1 . 2]" 1
400 1 25 LEU H 1 25 LEU HB2 . . 3.730 2.298 2.189 2.448 . 0 0 "[ . 1 . 2]" 1
401 1 25 LEU H 1 25 LEU HB3 . . 3.940 3.556 3.488 3.663 . 0 0 "[ . 1 . 2]" 1
402 1 25 LEU H 1 25 LEU MD1 . . 4.030 3.936 3.586 4.059 0.029 15 0 "[ . 1 . 2]" 1
403 1 25 LEU H 1 25 LEU HG . . 4.200 3.192 3.018 3.433 . 0 0 "[ . 1 . 2]" 1
404 1 25 LEU H 1 26 VAL H . . 4.960 4.304 4.163 4.446 . 0 0 "[ . 1 . 2]" 1
405 1 25 LEU H 1 102 LEU MD2 . . 4.610 3.854 3.331 4.196 . 0 0 "[ . 1 . 2]" 1
406 1 25 LEU H 1 103 THR H . . 3.910 1.948 1.801 2.212 . 0 0 "[ . 1 . 2]" 1
407 1 25 LEU H 1 103 THR HB . . 4.400 3.524 3.262 4.108 . 0 0 "[ . 1 . 2]" 1
408 1 25 LEU HA 1 25 LEU MD1 . . 3.990 3.827 3.770 3.873 . 0 0 "[ . 1 . 2]" 1
409 1 25 LEU HA 1 25 LEU MD2 . . 3.620 2.125 1.930 2.311 . 0 0 "[ . 1 . 2]" 1
410 1 25 LEU HA 1 26 VAL H . . 3.320 2.150 2.139 2.170 . 0 0 "[ . 1 . 2]" 1
411 1 25 LEU HA 1 26 VAL MG2 . . 4.350 3.787 3.567 3.976 . 0 0 "[ . 1 . 2]" 1
412 1 25 LEU HA 1 37 MET H . . 4.180 3.252 2.972 3.491 . 0 0 "[ . 1 . 2]" 1
413 1 25 LEU HB2 1 25 LEU MD1 . . 3.410 2.309 2.151 2.463 . 0 0 "[ . 1 . 2]" 1
414 1 25 LEU HB2 1 26 VAL H . . 4.990 4.473 4.382 4.537 . 0 0 "[ . 1 . 2]" 1
415 1 25 LEU HB2 1 103 THR H . . 4.370 2.745 2.348 3.118 . 0 0 "[ . 1 . 2]" 1
416 1 25 LEU HB2 1 103 THR HB . . 3.780 2.189 2.005 2.688 . 0 0 "[ . 1 . 2]" 1
417 1 25 LEU HB3 1 25 LEU MD1 . . 3.530 2.373 2.214 2.507 . 0 0 "[ . 1 . 2]" 1
418 1 25 LEU HB3 1 25 LEU MD2 . . 3.520 2.277 2.184 2.396 . 0 0 "[ . 1 . 2]" 1
419 1 25 LEU HB3 1 26 VAL H . . 4.380 3.643 3.430 3.802 . 0 0 "[ . 1 . 2]" 1
420 1 25 LEU HB3 1 34 PRO HB2 . . 4.420 2.080 1.989 2.529 . 0 0 "[ . 1 . 2]" 1
421 1 25 LEU HB3 1 34 PRO HB3 . . 4.000 2.723 2.571 2.911 . 0 0 "[ . 1 . 2]" 1
422 1 25 LEU HB3 1 35 GLU H . . 4.380 3.850 3.396 4.314 . 0 0 "[ . 1 . 2]" 1
423 1 25 LEU HB3 1 36 THR HA . . 5.500 5.179 4.926 5.501 0.001 15 0 "[ . 1 . 2]" 1
424 1 25 LEU HB3 1 103 THR H . . 4.450 4.069 3.729 4.440 . 0 0 "[ . 1 . 2]" 1
425 1 25 LEU HB3 1 103 THR HB . . 3.980 3.537 3.069 3.981 0.001 6 0 "[ . 1 . 2]" 1
426 1 25 LEU MD1 1 34 PRO HB2 . . 4.160 2.646 2.299 3.309 . 0 0 "[ . 1 . 2]" 1
427 1 25 LEU MD1 1 34 PRO HB3 . . 3.790 3.442 3.085 3.812 0.022 15 0 "[ . 1 . 2]" 1
428 1 25 LEU MD1 1 34 PRO QG . . 3.770 2.638 1.748 3.692 . 0 0 "[ . 1 . 2]" 1
429 1 25 LEU MD1 1 103 THR H . . 5.160 4.440 4.081 4.705 . 0 0 "[ . 1 . 2]" 1
430 1 25 LEU MD1 1 103 THR HB . . 4.170 2.708 2.038 3.136 . 0 0 "[ . 1 . 2]" 1
431 1 25 LEU MD1 1 105 VAL HA . . 4.150 3.467 2.551 4.145 . 0 0 "[ . 1 . 2]" 1
432 1 25 LEU MD2 1 26 VAL H . . 3.660 3.327 2.943 3.616 . 0 0 "[ . 1 . 2]" 1
433 1 25 LEU MD2 1 34 PRO HA . . 4.040 3.794 3.456 4.074 0.034 15 0 "[ . 1 . 2]" 1
434 1 25 LEU MD2 1 34 PRO HB2 . . 4.140 1.972 1.824 2.281 . 0 0 "[ . 1 . 2]" 1
435 1 25 LEU MD2 1 34 PRO HB3 . . 3.860 3.468 3.137 3.709 . 0 0 "[ . 1 . 2]" 1
436 1 25 LEU MD2 1 34 PRO QG . . 3.440 2.864 2.051 3.290 . 0 0 "[ . 1 . 2]" 1
437 1 25 LEU MD2 1 35 GLU H . . 3.880 2.888 2.424 3.200 . 0 0 "[ . 1 . 2]" 1
438 1 25 LEU MD2 1 35 GLU HA . . 3.910 3.058 2.757 3.433 . 0 0 "[ . 1 . 2]" 1
439 1 25 LEU MD2 1 36 THR H . . 4.310 3.163 2.816 3.494 . 0 0 "[ . 1 . 2]" 1
440 1 25 LEU MD2 1 36 THR HA . . 3.660 2.433 2.075 3.210 . 0 0 "[ . 1 . 2]" 1
441 1 25 LEU HG 1 26 VAL H . . 5.090 4.942 4.740 5.085 . 0 0 "[ . 1 . 2]" 1
442 1 25 LEU HG 1 34 PRO HB2 . . 4.910 4.129 3.905 4.297 . 0 0 "[ . 1 . 2]" 1
443 1 25 LEU HG 1 36 THR HA . . 5.170 3.885 3.330 4.317 . 0 0 "[ . 1 . 2]" 1
444 1 25 LEU HG 1 105 VAL MG1 . . 4.160 3.144 1.795 4.131 . 0 0 "[ . 1 . 2]" 1
445 1 25 LEU HG 1 105 VAL QG . . 3.460 2.245 1.782 3.306 . 0 0 "[ . 1 . 2]" 1
446 1 25 LEU HG 1 105 VAL MG2 . . 4.160 2.927 1.815 4.159 . 0 0 "[ . 1 . 2]" 1
447 1 26 VAL H 1 26 VAL HB . . 3.960 2.546 2.489 2.607 . 0 0 "[ . 1 . 2]" 1
448 1 26 VAL H 1 26 VAL MG1 . . 4.230 3.808 3.784 3.829 . 0 0 "[ . 1 . 2]" 1
449 1 26 VAL H 1 26 VAL MG2 . . 3.500 2.530 2.269 2.787 . 0 0 "[ . 1 . 2]" 1
450 1 26 VAL H 1 27 THR H . . 5.340 4.449 4.298 4.525 . 0 0 "[ . 1 . 2]" 1
451 1 26 VAL H 1 35 GLU H . . 3.630 2.909 2.333 3.204 . 0 0 "[ . 1 . 2]" 1
452 1 26 VAL H 1 37 MET H . . 4.610 3.585 3.393 3.919 . 0 0 "[ . 1 . 2]" 1
453 1 26 VAL H 1 37 MET QB . . 5.020 3.456 2.867 3.816 . 0 0 "[ . 1 . 2]" 1
454 1 26 VAL H 1 37 MET HG2 . . 5.360 5.090 4.708 5.302 . 0 0 "[ . 1 . 2]" 1
455 1 26 VAL H 1 37 MET HG3 . . 4.940 3.408 2.950 3.637 . 0 0 "[ . 1 . 2]" 1
456 1 26 VAL HA 1 26 VAL MG1 . . 3.600 2.347 2.271 2.458 . 0 0 "[ . 1 . 2]" 1
457 1 26 VAL HA 1 26 VAL MG2 . . 3.580 2.351 2.263 2.471 . 0 0 "[ . 1 . 2]" 1
458 1 26 VAL HA 1 27 THR H . . 3.230 2.157 2.140 2.182 . 0 0 "[ . 1 . 2]" 1
459 1 26 VAL HA 1 102 LEU MD2 . . 3.680 2.839 2.558 3.169 . 0 0 "[ . 1 . 2]" 1
460 1 26 VAL HB 1 27 THR H . . 4.710 4.164 4.051 4.391 . 0 0 "[ . 1 . 2]" 1
461 1 26 VAL HB 1 28 PHE HZ . . 5.030 4.417 3.636 5.009 . 0 0 "[ . 1 . 2]" 1
462 1 26 VAL HB 1 35 GLU H . . 4.330 4.017 3.460 4.284 . 0 0 "[ . 1 . 2]" 1
463 1 26 VAL HB 1 37 MET HG3 . . 4.120 2.951 2.389 3.457 . 0 0 "[ . 1 . 2]" 1
464 1 26 VAL HB 1 102 LEU MD2 . . 4.380 4.278 4.086 4.383 0.003 15 0 "[ . 1 . 2]" 1
465 1 26 VAL MG1 1 27 THR H . . 3.470 2.467 2.199 3.038 . 0 0 "[ . 1 . 2]" 1
466 1 26 VAL MG1 1 28 PHE H . . 4.520 3.854 3.344 4.460 . 0 0 "[ . 1 . 2]" 1
467 1 26 VAL MG1 1 28 PHE QD . . 4.370 3.455 3.063 3.809 . 0 0 "[ . 1 . 2]" 1
468 1 26 VAL MG1 1 28 PHE QE . . 4.170 2.927 2.358 3.501 . 0 0 "[ . 1 . 2]" 1
469 1 26 VAL MG1 1 28 PHE HZ . . 4.340 3.080 2.591 4.276 . 0 0 "[ . 1 . 2]" 1
470 1 26 VAL MG1 1 35 GLU H . . 5.030 4.734 4.238 4.999 . 0 0 "[ . 1 . 2]" 1
471 1 26 VAL MG1 1 100 LEU MD1 . . 3.890 1.894 1.792 2.166 . 0 0 "[ . 1 . 2]" 1
472 1 26 VAL MG1 1 101 LYS H . . 3.910 3.591 3.288 3.858 . 0 0 "[ . 1 . 2]" 1
473 1 26 VAL MG2 1 27 THR H . . 4.130 4.026 3.939 4.116 . 0 0 "[ . 1 . 2]" 1
474 1 26 VAL MG2 1 37 MET H . . 3.810 3.641 3.341 3.818 0.008 18 0 "[ . 1 . 2]" 1
475 1 26 VAL MG2 1 37 MET HB2 . . 4.350 1.982 1.868 2.078 . 0 0 "[ . 1 . 2]" 1
476 1 26 VAL MG2 1 37 MET QB . . 3.470 1.958 1.824 2.060 . 0 0 "[ . 1 . 2]" 1
477 1 26 VAL MG2 1 37 MET HB3 . . 4.350 3.084 2.549 3.470 . 0 0 "[ . 1 . 2]" 1
478 1 26 VAL MG2 1 37 MET HG2 . . 4.320 4.161 3.898 4.311 . 0 0 "[ . 1 . 2]" 1
479 1 26 VAL MG2 1 37 MET HG3 . . 4.030 3.184 2.890 3.623 . 0 0 "[ . 1 . 2]" 1
480 1 26 VAL MG2 1 102 LEU HA . . 4.340 3.681 3.447 4.045 . 0 0 "[ . 1 . 2]" 1
481 1 26 VAL MG2 1 102 LEU MD2 . . 2.920 1.892 1.789 2.084 . 0 0 "[ . 1 . 2]" 1
482 1 26 VAL MG2 1 102 LEU HG . . 4.330 4.053 3.864 4.278 . 0 0 "[ . 1 . 2]" 1
483 1 26 VAL MG2 1 103 THR H . . 5.500 4.799 4.593 5.064 . 0 0 "[ . 1 . 2]" 1
484 1 27 THR H 1 27 THR HB . . 3.830 2.802 2.620 2.949 . 0 0 "[ . 1 . 2]" 1
485 1 27 THR H 1 27 THR MG . . 4.290 3.885 3.818 3.935 . 0 0 "[ . 1 . 2]" 1
486 1 27 THR H 1 28 PHE H . . 4.480 4.229 4.011 4.445 . 0 0 "[ . 1 . 2]" 1
487 1 27 THR H 1 34 PRO HA . . 4.730 4.533 3.656 4.730 . 0 0 "[ . 1 . 2]" 1
488 1 27 THR H 1 100 LEU MD1 . . 4.680 3.928 3.213 4.676 . 0 0 "[ . 1 . 2]" 1
489 1 27 THR H 1 100 LEU HG . . 5.040 4.095 3.257 4.992 . 0 0 "[ . 1 . 2]" 1
490 1 27 THR H 1 101 LYS H . . 3.650 3.156 2.768 3.492 . 0 0 "[ . 1 . 2]" 1
491 1 27 THR H 1 101 LYS HB2 . . 4.720 4.594 4.335 4.717 . 0 0 "[ . 1 . 2]" 1
492 1 27 THR H 1 101 LYS QB . . 4.150 3.380 3.012 3.682 . 0 0 "[ . 1 . 2]" 1
493 1 27 THR H 1 101 LYS HB3 . . 4.720 3.485 3.051 3.864 . 0 0 "[ . 1 . 2]" 1
494 1 27 THR H 1 102 LEU MD2 . . 5.080 4.355 4.124 4.662 . 0 0 "[ . 1 . 2]" 1
495 1 27 THR HA 1 27 THR MG . . 3.430 2.247 2.096 2.378 . 0 0 "[ . 1 . 2]" 1
496 1 27 THR HA 1 28 PHE H . . 3.020 2.165 2.141 2.215 . 0 0 "[ . 1 . 2]" 1
497 1 27 THR HA 1 34 PRO HA . . 4.600 2.743 1.998 3.187 . 0 0 "[ . 1 . 2]" 1
498 1 27 THR HA 1 35 GLU H . . 4.380 3.830 3.314 4.116 . 0 0 "[ . 1 . 2]" 1
499 1 27 THR HB 1 28 PHE H . . 4.390 4.177 3.875 4.380 . 0 0 "[ . 1 . 2]" 1
500 1 27 THR HB 1 101 LYS H . . 4.380 4.174 3.609 4.374 . 0 0 "[ . 1 . 2]" 1
501 1 27 THR HB 1 101 LYS HB2 . . 4.250 4.064 3.698 4.250 0.000 15 0 "[ . 1 . 2]" 1
502 1 27 THR HB 1 101 LYS QB . . 3.520 3.186 2.797 3.496 . 0 0 "[ . 1 . 2]" 1
503 1 27 THR HB 1 101 LYS HB3 . . 4.250 3.343 2.855 3.754 . 0 0 "[ . 1 . 2]" 1
504 1 27 THR MG 1 28 PHE H . . 3.750 2.966 2.355 3.279 . 0 0 "[ . 1 . 2]" 1
505 1 27 THR MG 1 32 GLU HA . . 3.720 3.316 2.734 3.729 0.009 15 0 "[ . 1 . 2]" 1
506 1 27 THR MG 1 33 LYS H . . 4.260 3.903 2.890 4.260 . 0 0 "[ . 1 . 2]" 1
507 1 27 THR MG 1 34 PRO HA . . 3.480 3.028 2.623 3.383 . 0 0 "[ . 1 . 2]" 1
508 1 27 THR MG 1 34 PRO QG . . 4.790 4.412 3.878 4.795 0.005 6 0 "[ . 1 . 2]" 1
509 1 28 PHE H 1 28 PHE HB2 . . 3.700 2.428 2.244 2.625 . 0 0 "[ . 1 . 2]" 1
510 1 28 PHE H 1 28 PHE QB . . 3.160 2.393 2.221 2.568 . 0 0 "[ . 1 . 2]" 1
511 1 28 PHE H 1 28 PHE HB3 . . 3.700 3.616 3.534 3.682 . 0 0 "[ . 1 . 2]" 1
512 1 28 PHE H 1 28 PHE QD . . 3.850 2.899 2.359 3.364 . 0 0 "[ . 1 . 2]" 1
513 1 28 PHE H 1 29 GLY H . . 4.750 4.569 4.483 4.624 . 0 0 "[ . 1 . 2]" 1
514 1 28 PHE H 1 31 SER HB2 . . 4.570 3.105 2.125 4.543 . 0 0 "[ . 1 . 2]" 1
515 1 28 PHE H 1 31 SER HB3 . . 4.570 3.917 2.945 4.578 0.008 17 0 "[ . 1 . 2]" 1
516 1 28 PHE HA 1 28 PHE QD . . 4.170 2.526 2.146 2.991 . 0 0 "[ . 1 . 2]" 1
517 1 28 PHE HA 1 28 PHE QE . . 4.980 4.470 4.227 4.738 . 0 0 "[ . 1 . 2]" 1
518 1 28 PHE HA 1 29 GLY H . . 3.200 2.274 2.162 2.611 . 0 0 "[ . 1 . 2]" 1
519 1 28 PHE QB 1 29 GLY H . . 3.650 2.778 1.998 3.144 . 0 0 "[ . 1 . 2]" 1
520 1 28 PHE QB 1 31 SER H . . 4.560 2.594 2.157 4.498 . 0 0 "[ . 1 . 2]" 1
521 1 28 PHE QB 1 31 SER QB . . 3.980 2.711 2.111 3.521 . 0 0 "[ . 1 . 2]" 1
522 1 28 PHE HB2 1 29 GLY H . . 4.210 3.953 3.319 4.211 0.001 3 0 "[ . 1 . 2]" 1
523 1 28 PHE HB3 1 29 GLY H . . 4.210 2.841 2.014 3.245 . 0 0 "[ . 1 . 2]" 1
524 1 28 PHE QD 1 29 GLY H . . 4.620 3.631 3.019 4.092 . 0 0 "[ . 1 . 2]" 1
525 1 28 PHE QD 1 98 THR MG . . 4.390 4.185 3.656 4.393 0.003 6 0 "[ . 1 . 2]" 1
526 1 28 PHE QD 1 100 LEU MD1 . . 4.460 3.611 3.035 4.445 . 0 0 "[ . 1 . 2]" 1
527 1 28 PHE QE 1 50 LEU MD1 . . 4.380 3.746 2.855 4.325 . 0 0 "[ . 1 . 2]" 1
528 1 28 PHE QE 1 100 LEU MD1 . . 4.140 3.120 2.484 3.839 . 0 0 "[ . 1 . 2]" 1
529 1 28 PHE HZ 1 37 MET ME . . 4.220 3.270 2.282 4.081 . 0 0 "[ . 1 . 2]" 1
530 1 28 PHE HZ 1 50 LEU MD1 . . 3.980 3.483 2.555 3.888 . 0 0 "[ . 1 . 2]" 1
531 1 29 GLY H 1 98 THR MG . . 4.490 4.098 3.365 4.489 . 0 0 "[ . 1 . 2]" 1
532 1 30 ASN QB 1 30 ASN QD . . 3.010 2.113 2.062 2.215 . 0 0 "[ . 1 . 2]" 1
533 1 30 ASN HB2 1 30 ASN HD22 . . 4.050 3.691 3.433 4.039 . 0 0 "[ . 1 . 2]" 1
534 1 30 ASN HB3 1 30 ASN HD22 . . 4.050 3.672 3.435 4.017 . 0 0 "[ . 1 . 2]" 1
535 1 31 SER H 1 31 SER HB2 . . 3.830 2.816 2.241 3.694 . 0 0 "[ . 1 . 2]" 1
536 1 31 SER H 1 31 SER QB . . 3.260 2.524 2.216 2.710 . 0 0 "[ . 1 . 2]" 1
537 1 31 SER H 1 31 SER HB3 . . 3.830 3.286 2.493 3.658 . 0 0 "[ . 1 . 2]" 1
538 1 31 SER H 1 32 GLU H . . 4.660 4.244 2.270 4.523 . 0 0 "[ . 1 . 2]" 1
539 1 31 SER HA 1 32 GLU H . . 3.170 2.235 2.139 3.324 0.154 17 0 "[ . 1 . 2]" 1
540 1 31 SER HA 1 32 GLU QB . . 5.340 4.435 4.163 4.582 . 0 0 "[ . 1 . 2]" 1
541 1 31 SER HA 1 32 GLU QG . . 5.340 3.996 3.553 5.138 . 0 0 "[ . 1 . 2]" 1
542 1 31 SER HA 1 33 LYS H . . 3.980 3.531 3.198 4.083 0.103 17 0 "[ . 1 . 2]" 1
543 1 31 SER QB 1 33 LYS H . . 3.830 3.115 2.593 3.818 . 0 0 "[ . 1 . 2]" 1
544 1 31 SER HB2 1 32 GLU H . . 4.590 4.079 3.207 4.590 0.000 6 0 "[ . 1 . 2]" 1
545 1 31 SER HB2 1 33 LYS H . . 4.690 3.947 2.804 4.694 0.004 15 0 "[ . 1 . 2]" 1
546 1 31 SER HB3 1 32 GLU H . . 4.590 3.899 3.389 4.429 . 0 0 "[ . 1 . 2]" 1
547 1 31 SER HB3 1 33 LYS H . . 4.690 3.546 2.732 4.598 . 0 0 "[ . 1 . 2]" 1
548 1 32 GLU H 1 32 GLU HB2 . . 3.980 3.243 2.439 3.653 . 0 0 "[ . 1 . 2]" 1
549 1 32 GLU H 1 32 GLU QB . . 3.450 2.542 2.307 3.320 . 0 0 "[ . 1 . 2]" 1
550 1 32 GLU H 1 32 GLU HB3 . . 3.980 2.988 2.336 3.829 . 0 0 "[ . 1 . 2]" 1
551 1 32 GLU H 1 32 GLU QG . . 4.200 2.417 1.891 3.263 . 0 0 "[ . 1 . 2]" 1
552 1 32 GLU H 1 33 LYS H . . 3.420 2.510 2.265 2.955 . 0 0 "[ . 1 . 2]" 1
553 1 32 GLU HA 1 32 GLU QG . . 3.590 3.051 2.360 3.486 . 0 0 "[ . 1 . 2]" 1
554 1 32 GLU QB 1 33 LYS H . . 3.840 3.418 2.787 3.798 . 0 0 "[ . 1 . 2]" 1
555 1 32 GLU HB2 1 33 LYS H . . 4.700 3.731 2.850 4.333 . 0 0 "[ . 1 . 2]" 1
556 1 32 GLU HB3 1 33 LYS H . . 4.700 4.108 3.861 4.555 . 0 0 "[ . 1 . 2]" 1
557 1 32 GLU QG 1 33 LYS H . . 4.270 3.204 1.956 4.289 0.019 17 0 "[ . 1 . 2]" 1
558 1 32 GLU HG2 1 33 LYS H . . 4.970 3.814 2.459 4.956 . 0 0 "[ . 1 . 2]" 1
559 1 32 GLU HG3 1 33 LYS H . . 4.970 3.740 1.986 4.963 . 0 0 "[ . 1 . 2]" 1
560 1 33 LYS H 1 33 LYS HB2 . . 3.430 3.267 3.147 3.469 0.039 17 0 "[ . 1 . 2]" 1
561 1 33 LYS H 1 33 LYS QB . . 2.980 2.292 2.183 2.466 . 0 0 "[ . 1 . 2]" 1
562 1 33 LYS H 1 33 LYS HB3 . . 3.430 2.341 2.224 2.523 . 0 0 "[ . 1 . 2]" 1
563 1 33 LYS H 1 33 LYS HG2 . . 4.220 4.034 3.941 4.178 . 0 0 "[ . 1 . 2]" 1
564 1 33 LYS H 1 33 LYS HG3 . . 4.550 4.447 4.359 4.531 . 0 0 "[ . 1 . 2]" 1
565 1 33 LYS H 1 34 PRO HD2 . . 4.990 4.837 4.820 4.844 . 0 0 "[ . 1 . 2]" 1
566 1 33 LYS H 1 34 PRO HD3 . . 5.060 4.831 4.751 4.909 . 0 0 "[ . 1 . 2]" 1
567 1 33 LYS HA 1 33 LYS QD . . 4.360 4.083 3.737 4.292 . 0 0 "[ . 1 . 2]" 1
568 1 33 LYS HA 1 33 LYS QE . . 4.330 3.834 3.232 4.345 0.015 12 0 "[ . 1 . 2]" 1
569 1 33 LYS HA 1 34 PRO HB3 . . 4.870 4.834 4.831 4.845 . 0 0 "[ . 1 . 2]" 1
570 1 33 LYS HA 1 34 PRO HD2 . . 3.690 2.148 2.072 2.187 . 0 0 "[ . 1 . 2]" 1
571 1 33 LYS HA 1 34 PRO HD3 . . 3.570 2.257 2.254 2.269 . 0 0 "[ . 1 . 2]" 1
572 1 33 LYS QB 1 33 LYS QE . . 4.560 2.308 1.930 3.465 . 0 0 "[ . 1 . 2]" 1
573 1 33 LYS QB 1 34 PRO HD2 . . 4.010 3.158 3.062 3.345 . 0 0 "[ . 1 . 2]" 1
574 1 33 LYS QB 1 34 PRO HD3 . . 4.370 4.066 4.000 4.187 . 0 0 "[ . 1 . 2]" 1
575 1 33 LYS HB2 1 34 PRO HD2 . . 4.570 3.271 3.158 3.501 . 0 0 "[ . 1 . 2]" 1
576 1 33 LYS HB2 1 34 PRO HD3 . . 5.240 4.301 4.212 4.472 . 0 0 "[ . 1 . 2]" 1
577 1 33 LYS HB3 1 34 PRO HD2 . . 4.570 4.169 4.115 4.299 . 0 0 "[ . 1 . 2]" 1
578 1 33 LYS HB3 1 34 PRO HD3 . . 5.240 5.013 4.987 5.070 . 0 0 "[ . 1 . 2]" 1
579 1 33 LYS QD 1 34 PRO HD2 . . 4.580 3.855 3.144 4.169 . 0 0 "[ . 1 . 2]" 1
580 1 33 LYS QE 1 33 LYS HG2 . . 3.600 3.130 2.476 3.551 . 0 0 "[ . 1 . 2]" 1
581 1 33 LYS QE 1 33 LYS HG3 . . 3.690 2.591 2.130 3.427 . 0 0 "[ . 1 . 2]" 1
582 1 33 LYS HG2 1 34 PRO HD2 . . 4.800 3.625 3.440 3.928 . 0 0 "[ . 1 . 2]" 1
583 1 33 LYS HG3 1 34 PRO HB2 . . 5.500 4.729 4.556 4.951 . 0 0 "[ . 1 . 2]" 1
584 1 33 LYS HG3 1 34 PRO HB3 . . 5.260 5.043 4.873 5.240 . 0 0 "[ . 1 . 2]" 1
585 1 33 LYS HG3 1 34 PRO HD2 . . 4.750 2.016 1.991 2.276 . 0 0 "[ . 1 . 2]" 1
586 1 33 LYS HG3 1 34 PRO HD3 . . 5.010 3.547 3.469 3.731 . 0 0 "[ . 1 . 2]" 1
587 1 34 PRO HA 1 35 GLU H . . 2.980 2.267 2.165 2.602 . 0 0 "[ . 1 . 2]" 1
588 1 34 PRO HB2 1 35 GLU H . . 3.520 3.034 2.149 3.438 . 0 0 "[ . 1 . 2]" 1
589 1 34 PRO HB3 1 35 GLU H . . 3.940 3.694 3.240 3.938 . 0 0 "[ . 1 . 2]" 1
590 1 34 PRO QG 1 35 GLU H . . 4.830 4.412 3.819 4.623 . 0 0 "[ . 1 . 2]" 1
591 1 35 GLU H 1 35 GLU HB2 . . 3.610 3.069 2.479 3.458 . 0 0 "[ . 1 . 2]" 1
592 1 35 GLU H 1 35 GLU HB3 . . 3.610 2.747 2.565 3.583 . 0 0 "[ . 1 . 2]" 1
593 1 35 GLU H 1 35 GLU HG2 . . 4.980 4.655 4.350 4.949 . 0 0 "[ . 1 . 2]" 1
594 1 35 GLU H 1 35 GLU QG . . 4.110 4.053 3.588 4.128 0.018 10 0 "[ . 1 . 2]" 1
595 1 35 GLU H 1 35 GLU HG3 . . 4.980 4.512 3.721 4.803 . 0 0 "[ . 1 . 2]" 1
596 1 35 GLU H 1 36 THR H . . 4.600 4.429 4.317 4.527 . 0 0 "[ . 1 . 2]" 1
597 1 35 GLU HA 1 35 GLU HG2 . . 4.100 3.384 2.200 3.848 . 0 0 "[ . 1 . 2]" 1
598 1 35 GLU HA 1 35 GLU HG3 . . 4.100 2.847 2.335 3.531 . 0 0 "[ . 1 . 2]" 1
599 1 35 GLU HA 1 36 THR H . . 3.040 2.238 2.186 2.322 . 0 0 "[ . 1 . 2]" 1
600 1 35 GLU QB 1 36 THR H . . 3.640 3.496 2.820 3.640 0.000 1 0 "[ . 1 . 2]" 1
601 1 35 GLU HB2 1 36 THR H . . 4.170 4.039 3.849 4.171 0.001 5 0 "[ . 1 . 2]" 1
602 1 35 GLU HB3 1 36 THR H . . 4.170 3.867 2.871 4.088 . 0 0 "[ . 1 . 2]" 1
603 1 35 GLU HG2 1 36 THR H . . 4.110 3.408 2.517 4.108 . 0 0 "[ . 1 . 2]" 1
604 1 35 GLU HG3 1 36 THR H . . 4.110 2.728 2.064 4.138 0.028 9 0 "[ . 1 . 2]" 1
605 1 36 THR H 1 36 THR HB . . 3.190 2.627 2.552 2.724 . 0 0 "[ . 1 . 2]" 1
606 1 36 THR H 1 36 THR MG . . 3.970 3.775 3.760 3.804 . 0 0 "[ . 1 . 2]" 1
607 1 36 THR H 1 37 MET H . . 4.450 4.369 4.308 4.451 0.001 20 0 "[ . 1 . 2]" 1
608 1 36 THR HA 1 37 MET H . . 3.380 2.159 2.143 2.171 . 0 0 "[ . 1 . 2]" 1
609 1 36 THR HB 1 37 MET H . . 4.370 4.315 4.163 4.378 0.008 8 0 "[ . 1 . 2]" 1
610 1 36 THR MG 1 37 MET H . . 3.610 2.970 2.829 3.148 . 0 0 "[ . 1 . 2]" 1
611 1 37 MET H 1 37 MET HB2 . . 4.120 2.637 2.457 2.853 . 0 0 "[ . 1 . 2]" 1
612 1 37 MET H 1 37 MET HB3 . . 4.120 3.767 3.605 3.894 . 0 0 "[ . 1 . 2]" 1
613 1 37 MET H 1 37 MET HG2 . . 4.400 3.920 3.692 4.268 . 0 0 "[ . 1 . 2]" 1
614 1 37 MET H 1 37 MET HG3 . . 4.220 3.232 2.923 3.564 . 0 0 "[ . 1 . 2]" 1
615 1 37 MET H 1 38 THR H . . 4.640 4.446 4.380 4.482 . 0 0 "[ . 1 . 2]" 1
616 1 37 MET H 1 102 LEU MD2 . . 5.500 5.307 5.004 5.497 . 0 0 "[ . 1 . 2]" 1
617 1 37 MET HA 1 37 MET ME . . 4.170 3.582 3.268 4.073 . 0 0 "[ . 1 . 2]" 1
618 1 37 MET HA 1 38 THR H . . 3.170 2.407 2.255 2.553 . 0 0 "[ . 1 . 2]" 1
619 1 37 MET HA 1 38 THR HB . . 4.970 4.763 4.661 4.888 . 0 0 "[ . 1 . 2]" 1
620 1 37 MET QB 1 37 MET ME . . 3.590 2.464 1.945 3.148 . 0 0 "[ . 1 . 2]" 1
621 1 37 MET QB 1 38 THR H . . 3.370 2.413 2.094 2.772 . 0 0 "[ . 1 . 2]" 1
622 1 37 MET QB 1 51 ASP H . . 3.980 3.067 2.642 3.681 . 0 0 "[ . 1 . 2]" 1
623 1 37 MET HB2 1 38 THR H . . 3.990 3.669 3.354 3.979 . 0 0 "[ . 1 . 2]" 1
624 1 37 MET HB3 1 38 THR H . . 3.990 2.449 2.110 2.829 . 0 0 "[ . 1 . 2]" 1
625 1 37 MET ME 1 37 MET HG2 . . 3.370 2.291 2.064 2.475 . 0 0 "[ . 1 . 2]" 1
626 1 37 MET ME 1 37 MET HG3 . . 3.580 3.294 3.071 3.399 . 0 0 "[ . 1 . 2]" 1
627 1 37 MET ME 1 50 LEU QB . . 3.700 2.377 1.916 3.120 . 0 0 "[ . 1 . 2]" 1
628 1 37 MET ME 1 51 ASP H . . 3.850 3.012 2.368 3.558 . 0 0 "[ . 1 . 2]" 1
629 1 37 MET ME 1 51 ASP HA . . 3.850 3.437 3.057 3.720 . 0 0 "[ . 1 . 2]" 1
630 1 37 MET ME 1 52 GLY H . . 3.420 3.071 2.483 3.413 . 0 0 "[ . 1 . 2]" 1
631 1 37 MET ME 1 52 GLY HA2 . . 4.230 3.595 3.197 4.029 . 0 0 "[ . 1 . 2]" 1
632 1 37 MET ME 1 52 GLY HA3 . . 3.940 2.206 1.904 2.679 . 0 0 "[ . 1 . 2]" 1
633 1 37 MET ME 1 53 ASP H . . 4.470 2.744 1.981 3.269 . 0 0 "[ . 1 . 2]" 1
634 1 37 MET ME 1 54 SER H . . 3.840 2.787 2.085 3.444 . 0 0 "[ . 1 . 2]" 1
635 1 37 MET ME 1 56 TYR H . . 4.410 3.809 3.310 4.343 . 0 0 "[ . 1 . 2]" 1
636 1 37 MET ME 1 56 TYR QD . . 3.570 2.703 2.103 3.551 . 0 0 "[ . 1 . 2]" 1
637 1 37 MET HG2 1 38 THR H . . 5.020 3.997 3.401 4.352 . 0 0 "[ . 1 . 2]" 1
638 1 37 MET HG2 1 52 GLY HA2 . . 4.490 3.835 3.329 4.310 . 0 0 "[ . 1 . 2]" 1
639 1 37 MET HG2 1 52 GLY HA3 . . 4.630 2.357 2.037 2.871 . 0 0 "[ . 1 . 2]" 1
640 1 37 MET HG3 1 38 THR H . . 5.210 4.900 4.553 5.183 . 0 0 "[ . 1 . 2]" 1
641 1 38 THR H 1 38 THR HB . . 3.500 2.652 2.494 2.774 . 0 0 "[ . 1 . 2]" 1
642 1 38 THR H 1 38 THR MG . . 3.970 3.854 3.790 3.906 . 0 0 "[ . 1 . 2]" 1
643 1 38 THR H 1 39 CYS H . . 4.610 4.423 4.318 4.573 . 0 0 "[ . 1 . 2]" 1
644 1 38 THR H 1 39 CYS HA . . 5.500 5.014 4.831 5.242 . 0 0 "[ . 1 . 2]" 1
645 1 38 THR H 1 50 LEU HA . . 5.090 4.166 3.821 4.463 . 0 0 "[ . 1 . 2]" 1
646 1 38 THR H 1 51 ASP HA . . 5.500 4.582 4.363 4.909 . 0 0 "[ . 1 . 2]" 1
647 1 38 THR H 1 51 ASP QB . . 4.330 3.014 2.565 3.786 . 0 0 "[ . 1 . 2]" 1
648 1 38 THR H 1 52 GLY HA2 . . 5.420 4.944 4.173 5.397 . 0 0 "[ . 1 . 2]" 1
649 1 38 THR HB 1 39 CYS H . . 4.200 4.082 3.770 4.202 0.002 19 0 "[ . 1 . 2]" 1
650 1 38 THR HB 1 51 ASP H . . 4.180 3.299 2.770 3.621 . 0 0 "[ . 1 . 2]" 1
651 1 38 THR HB 1 51 ASP QB . . 4.260 2.234 2.014 2.633 . 0 0 "[ . 1 . 2]" 1
652 1 38 THR MG 1 39 CYS H . . 3.770 2.404 1.893 2.826 . 0 0 "[ . 1 . 2]" 1
653 1 38 THR MG 1 40 ARG HB3 . . 4.210 3.186 2.982 3.519 . 0 0 "[ . 1 . 2]" 1
654 1 39 CYS H 1 39 CYS HB2 . . 3.950 2.661 2.397 2.995 . 0 0 "[ . 1 . 2]" 1
655 1 39 CYS H 1 39 CYS QB . . 3.460 2.520 2.364 2.759 . 0 0 "[ . 1 . 2]" 1
656 1 39 CYS H 1 39 CYS HB3 . . 3.950 3.370 2.760 3.870 . 0 0 "[ . 1 . 2]" 1
657 1 39 CYS HA 1 40 ARG H . . 3.130 2.150 2.139 2.211 . 0 0 "[ . 1 . 2]" 1
658 1 39 CYS HA 1 40 ARG HG2 . . 4.800 4.159 3.998 4.480 . 0 0 "[ . 1 . 2]" 1
659 1 39 CYS HA 1 50 LEU HA . . 3.900 3.059 2.658 3.479 . 0 0 "[ . 1 . 2]" 1
660 1 39 CYS HA 1 50 LEU MD2 . . 4.320 2.658 2.336 3.129 . 0 0 "[ . 1 . 2]" 1
661 1 39 CYS HA 1 50 LEU HG . . 5.100 4.785 4.508 5.028 . 0 0 "[ . 1 . 2]" 1
662 1 39 CYS QB 1 40 ARG H . . 3.940 3.466 2.917 3.860 . 0 0 "[ . 1 . 2]" 1
663 1 39 CYS QB 1 102 LEU MD1 . . 4.110 3.299 2.890 3.683 . 0 0 "[ . 1 . 2]" 1
664 1 39 CYS HB2 1 40 ARG H . . 4.780 4.334 4.079 4.554 . 0 0 "[ . 1 . 2]" 1
665 1 39 CYS HB2 1 50 LEU MD2 . . 4.250 3.644 2.522 4.251 0.001 7 0 "[ . 1 . 2]" 1
666 1 39 CYS HB2 1 102 LEU MD2 . . 4.760 3.909 3.231 4.482 . 0 0 "[ . 1 . 2]" 1
667 1 39 CYS HB3 1 40 ARG H . . 4.780 3.667 2.987 4.194 . 0 0 "[ . 1 . 2]" 1
668 1 39 CYS HB3 1 50 LEU MD2 . . 4.250 3.628 2.910 4.228 . 0 0 "[ . 1 . 2]" 1
669 1 39 CYS HB3 1 102 LEU MD2 . . 4.760 4.396 4.000 4.747 . 0 0 "[ . 1 . 2]" 1
670 1 40 ARG H 1 40 ARG HG2 . . 4.030 2.482 2.245 2.855 . 0 0 "[ . 1 . 2]" 1
671 1 40 ARG H 1 40 ARG HG3 . . 3.950 3.651 3.439 3.946 . 0 0 "[ . 1 . 2]" 1
672 1 40 ARG H 1 41 LEU H . . 4.850 4.417 4.382 4.464 . 0 0 "[ . 1 . 2]" 1
673 1 40 ARG H 1 41 LEU HA . . 5.290 4.754 4.661 4.893 . 0 0 "[ . 1 . 2]" 1
674 1 40 ARG H 1 48 LEU HA . . 5.500 4.651 4.334 4.928 . 0 0 "[ . 1 . 2]" 1
675 1 40 ARG H 1 48 LEU MD2 . . 4.280 3.680 3.246 4.094 . 0 0 "[ . 1 . 2]" 1
676 1 40 ARG H 1 49 PHE H . . 3.970 3.111 2.883 3.391 . 0 0 "[ . 1 . 2]" 1
677 1 40 ARG H 1 49 PHE HB2 . . 4.650 3.947 3.526 4.353 . 0 0 "[ . 1 . 2]" 1
678 1 40 ARG H 1 49 PHE HB3 . . 5.500 5.198 4.613 5.475 . 0 0 "[ . 1 . 2]" 1
679 1 40 ARG H 1 50 LEU HA . . 4.470 4.162 3.808 4.465 . 0 0 "[ . 1 . 2]" 1
680 1 40 ARG H 1 50 LEU MD2 . . 4.560 3.860 3.367 4.315 . 0 0 "[ . 1 . 2]" 1
681 1 40 ARG HA 1 41 LEU H . . 3.400 2.426 2.382 2.452 . 0 0 "[ . 1 . 2]" 1
682 1 40 ARG HA 1 118 TRP HE1 . . 3.850 2.343 1.907 2.851 . 0 0 "[ . 1 . 2]" 1
683 1 40 ARG HA 1 118 TRP HZ2 . . 4.440 3.324 2.908 3.846 . 0 0 "[ . 1 . 2]" 1
684 1 40 ARG HB2 1 40 ARG HD2 . . 4.120 2.893 2.464 3.735 . 0 0 "[ . 1 . 2]" 1
685 1 40 ARG HB2 1 40 ARG QD . . 3.580 2.657 2.402 3.211 . 0 0 "[ . 1 . 2]" 1
686 1 40 ARG HB2 1 40 ARG HD3 . . 4.120 3.349 2.518 3.867 . 0 0 "[ . 1 . 2]" 1
687 1 40 ARG HB2 1 41 LEU H . . 4.050 2.457 2.389 2.544 . 0 0 "[ . 1 . 2]" 1
688 1 40 ARG HB2 1 118 TRP HE1 . . 5.130 4.184 3.812 4.744 . 0 0 "[ . 1 . 2]" 1
689 1 40 ARG HB3 1 40 ARG HD2 . . 4.060 2.754 2.221 3.689 . 0 0 "[ . 1 . 2]" 1
690 1 40 ARG HB3 1 40 ARG HD3 . . 4.060 2.797 2.159 3.619 . 0 0 "[ . 1 . 2]" 1
691 1 40 ARG HB3 1 41 LEU H . . 4.000 3.844 3.756 3.922 . 0 0 "[ . 1 . 2]" 1
692 1 40 ARG HB3 1 118 TRP HE1 . . 5.200 4.542 3.958 5.037 . 0 0 "[ . 1 . 2]" 1
693 1 40 ARG HG2 1 41 LEU H . . 4.480 4.294 3.979 4.475 . 0 0 "[ . 1 . 2]" 1
694 1 40 ARG HG3 1 41 LEU H . . 4.400 3.369 2.986 4.394 . 0 0 "[ . 1 . 2]" 1
695 1 40 ARG HG3 1 49 PHE H . . 4.810 4.271 3.726 4.813 0.003 13 0 "[ . 1 . 2]" 1
696 1 40 ARG HG3 1 49 PHE HB2 . . 4.870 3.477 2.783 3.998 . 0 0 "[ . 1 . 2]" 1
697 1 41 LEU H 1 41 LEU HB2 . . 3.640 2.281 2.259 2.317 . 0 0 "[ . 1 . 2]" 1
698 1 41 LEU H 1 41 LEU HB3 . . 3.610 3.512 3.477 3.543 . 0 0 "[ . 1 . 2]" 1
699 1 41 LEU H 1 41 LEU MD1 . . 3.900 3.805 3.653 3.925 0.025 13 0 "[ . 1 . 2]" 1
700 1 41 LEU H 1 48 LEU MD2 . . 4.810 4.060 3.811 4.309 . 0 0 "[ . 1 . 2]" 1
701 1 41 LEU H 1 118 TRP HE1 . . 4.210 3.366 3.005 3.813 . 0 0 "[ . 1 . 2]" 1
702 1 41 LEU H 1 118 TRP HZ2 . . 4.790 4.364 3.947 4.762 . 0 0 "[ . 1 . 2]" 1
703 1 41 LEU HA 1 41 LEU MD1 . . 4.680 3.807 3.788 3.818 . 0 0 "[ . 1 . 2]" 1
704 1 41 LEU HA 1 41 LEU MD2 . . 3.550 2.354 2.154 2.565 . 0 0 "[ . 1 . 2]" 1
705 1 41 LEU HA 1 42 SER H . . 3.270 2.320 2.140 2.470 . 0 0 "[ . 1 . 2]" 1
706 1 41 LEU HA 1 48 LEU MD2 . . 3.880 2.543 2.250 3.034 . 0 0 "[ . 1 . 2]" 1
707 1 41 LEU HB2 1 41 LEU MD1 . . 3.620 2.153 2.017 2.280 . 0 0 "[ . 1 . 2]" 1
708 1 41 LEU HB2 1 41 LEU MD2 . . 3.440 3.153 3.123 3.177 . 0 0 "[ . 1 . 2]" 1
709 1 41 LEU HB2 1 42 SER H . . 4.500 4.037 3.774 4.458 . 0 0 "[ . 1 . 2]" 1
710 1 41 LEU HB2 1 48 LEU MD2 . . 5.100 4.036 3.858 4.242 . 0 0 "[ . 1 . 2]" 1
711 1 41 LEU HB3 1 41 LEU MD1 . . 3.640 2.546 2.453 2.650 . 0 0 "[ . 1 . 2]" 1
712 1 41 LEU HB3 1 42 SER H . . 4.680 2.759 2.336 3.515 . 0 0 "[ . 1 . 2]" 1
713 1 41 LEU HB3 1 48 LEU MD2 . . 4.800 4.125 3.852 4.456 . 0 0 "[ . 1 . 2]" 1
714 1 41 LEU MD1 1 45 GLN HA . . 4.160 3.458 3.198 3.678 . 0 0 "[ . 1 . 2]" 1
715 1 41 LEU MD1 1 45 GLN QB . . 3.920 2.383 1.875 3.456 . 0 0 "[ . 1 . 2]" 1
716 1 41 LEU MD1 1 45 GLN QE . . 4.360 3.595 2.211 4.368 0.008 6 0 "[ . 1 . 2]" 1
717 1 41 LEU MD1 1 45 GLN QG . . 3.610 2.830 2.069 3.622 0.012 13 0 "[ . 1 . 2]" 1
718 1 41 LEU MD1 1 118 TRP HE1 . . 4.980 3.857 3.199 4.454 . 0 0 "[ . 1 . 2]" 1
719 1 41 LEU MD1 1 122 MET ME . . 4.490 3.019 2.368 3.432 . 0 0 "[ . 1 . 2]" 1
720 1 41 LEU MD1 1 125 ALA MB . . 3.890 3.525 2.976 3.806 . 0 0 "[ . 1 . 2]" 1
721 1 41 LEU MD2 1 42 SER H . . 3.480 2.735 2.392 3.237 . 0 0 "[ . 1 . 2]" 1
722 1 41 LEU MD2 1 45 GLN H . . 4.080 4.050 3.855 4.089 0.009 10 0 "[ . 1 . 2]" 1
723 1 41 LEU MD2 1 45 GLN HA . . 3.600 2.049 1.971 2.389 . 0 0 "[ . 1 . 2]" 1
724 1 41 LEU MD2 1 45 GLN QB . . 3.500 2.378 1.910 3.467 . 0 0 "[ . 1 . 2]" 1
725 1 41 LEU MD2 1 45 GLN QG . . 4.140 3.440 3.004 4.119 . 0 0 "[ . 1 . 2]" 1
726 1 41 LEU MD2 1 46 ARG H . . 4.510 3.631 2.943 3.915 . 0 0 "[ . 1 . 2]" 1
727 1 41 LEU MD2 1 46 ARG HA . . 4.370 4.087 3.414 4.397 0.027 13 0 "[ . 1 . 2]" 1
728 1 41 LEU MD2 1 47 TYR H . . 4.030 3.114 2.873 3.709 . 0 0 "[ . 1 . 2]" 1
729 1 41 LEU MD2 1 48 LEU H . . 4.950 4.213 3.717 4.555 . 0 0 "[ . 1 . 2]" 1
730 1 41 LEU MD2 1 60 ILE MD . . 3.030 2.216 1.907 2.494 . 0 0 "[ . 1 . 2]" 1
731 1 41 LEU MD2 1 60 ILE HG12 . . 4.160 3.992 3.568 4.160 0.000 8 0 "[ . 1 . 2]" 1
732 1 41 LEU MD2 1 122 MET ME . . 3.050 2.586 1.952 3.055 0.005 11 0 "[ . 1 . 2]" 1
733 1 41 LEU HG 1 42 SER H . . 4.830 4.368 4.241 4.607 . 0 0 "[ . 1 . 2]" 1
734 1 41 LEU HG 1 45 GLN HA . . 4.540 4.454 4.320 4.572 0.032 14 0 "[ . 1 . 2]" 1
735 1 41 LEU HG 1 60 ILE MD . . 4.740 4.377 3.917 4.739 . 0 0 "[ . 1 . 2]" 1
736 1 41 LEU HG 1 122 MET ME . . 4.520 3.744 3.229 4.388 . 0 0 "[ . 1 . 2]" 1
737 1 42 SER H 1 42 SER HB2 . . 4.060 2.667 2.187 3.666 . 0 0 "[ . 1 . 2]" 1
738 1 42 SER H 1 42 SER QB . . 3.440 2.278 2.133 2.587 . 0 0 "[ . 1 . 2]" 1
739 1 42 SER H 1 42 SER HB3 . . 4.060 2.766 2.246 3.551 . 0 0 "[ . 1 . 2]" 1
740 1 42 SER H 1 47 TYR H . . 4.130 3.093 2.756 3.912 . 0 0 "[ . 1 . 2]" 1
741 1 42 SER H 1 47 TYR HB2 . . 5.270 4.351 3.720 4.618 . 0 0 "[ . 1 . 2]" 1
742 1 42 SER HA 1 49 PHE QE . . 4.370 3.321 2.010 4.377 0.007 18 0 "[ . 1 . 2]" 1
743 1 42 SER QB 1 43 ASN H . . 4.220 2.728 2.084 3.051 . 0 0 "[ . 1 . 2]" 1
744 1 42 SER QB 1 45 GLN H . . 4.560 3.210 2.577 4.528 . 0 0 "[ . 1 . 2]" 1
745 1 42 SER QB 1 46 ARG H . . 4.640 2.854 1.965 3.872 . 0 0 "[ . 1 . 2]" 1
746 1 42 SER QB 1 47 TYR H . . 4.130 2.748 2.189 3.668 . 0 0 "[ . 1 . 2]" 1
747 1 42 SER QB 1 47 TYR HB3 . . 4.720 4.250 3.476 4.726 0.006 18 0 "[ . 1 . 2]" 1
748 1 42 SER HB2 1 45 GLN H . . 5.200 4.324 3.402 5.011 . 0 0 "[ . 1 . 2]" 1
749 1 42 SER HB2 1 47 TYR HB2 . . 4.740 3.193 1.991 4.345 . 0 0 "[ . 1 . 2]" 1
750 1 42 SER HB2 1 49 PHE QE . . 4.580 2.873 2.006 4.187 . 0 0 "[ . 1 . 2]" 1
751 1 42 SER HB3 1 45 GLN H . . 5.200 3.433 2.611 5.162 . 0 0 "[ . 1 . 2]" 1
752 1 42 SER HB3 1 47 TYR HB2 . . 4.740 3.586 2.101 4.537 . 0 0 "[ . 1 . 2]" 1
753 1 42 SER HB3 1 49 PHE QE . . 4.580 3.702 2.467 4.489 . 0 0 "[ . 1 . 2]" 1
754 1 43 ASN H 1 43 ASN HB2 . . 4.060 2.720 2.179 3.600 . 0 0 "[ . 1 . 2]" 1
755 1 43 ASN H 1 43 ASN QB . . 3.530 2.404 2.129 2.712 . 0 0 "[ . 1 . 2]" 1
756 1 43 ASN H 1 43 ASN HB3 . . 4.060 3.104 2.529 3.592 . 0 0 "[ . 1 . 2]" 1
757 1 43 ASN H 1 45 GLN H . . 5.030 3.948 3.727 4.568 . 0 0 "[ . 1 . 2]" 1
758 1 43 ASN HA 1 45 GLN H . . 4.800 3.917 3.426 4.154 . 0 0 "[ . 1 . 2]" 1
759 1 43 ASN QB 1 45 GLN H . . 5.340 4.437 4.164 4.874 . 0 0 "[ . 1 . 2]" 1
760 1 44 ASN H 1 45 GLN H . . 4.340 2.535 2.253 2.754 . 0 0 "[ . 1 . 2]" 1
761 1 45 GLN H 1 45 GLN QB . . 3.780 3.287 2.940 3.436 . 0 0 "[ . 1 . 2]" 1
762 1 45 GLN H 1 45 GLN HG2 . . 4.090 3.480 2.397 4.111 0.021 17 0 "[ . 1 . 2]" 1
763 1 45 GLN H 1 45 GLN QG . . 3.570 2.666 2.379 3.166 . 0 0 "[ . 1 . 2]" 1
764 1 45 GLN H 1 45 GLN HG3 . . 4.090 2.980 2.532 4.087 . 0 0 "[ . 1 . 2]" 1
765 1 45 GLN H 1 46 ARG H . . 3.740 2.839 2.597 3.043 . 0 0 "[ . 1 . 2]" 1
766 1 45 GLN H 1 47 TYR H . . 4.480 4.303 3.990 4.520 0.040 13 0 "[ . 1 . 2]" 1
767 1 45 GLN HA 1 45 GLN QG . . 3.640 2.618 2.183 3.336 . 0 0 "[ . 1 . 2]" 1
768 1 45 GLN HA 1 47 TYR H . . 4.640 3.387 3.078 3.862 . 0 0 "[ . 1 . 2]" 1
769 1 45 GLN QB 1 46 ARG H . . 4.500 3.884 3.793 4.035 . 0 0 "[ . 1 . 2]" 1
770 1 46 ARG H 1 46 ARG HB2 . . 3.800 2.387 2.256 2.544 . 0 0 "[ . 1 . 2]" 1
771 1 46 ARG H 1 46 ARG QB . . 3.130 2.355 2.231 2.502 . 0 0 "[ . 1 . 2]" 1
772 1 46 ARG H 1 46 ARG HB3 . . 3.800 3.600 3.513 3.708 . 0 0 "[ . 1 . 2]" 1
773 1 46 ARG H 1 46 ARG HG2 . . 4.400 3.795 2.782 4.274 . 0 0 "[ . 1 . 2]" 1
774 1 46 ARG H 1 46 ARG QG . . 3.540 3.114 2.702 3.445 . 0 0 "[ . 1 . 2]" 1
775 1 46 ARG H 1 46 ARG HG3 . . 4.400 3.514 2.843 4.175 . 0 0 "[ . 1 . 2]" 1
776 1 46 ARG H 1 47 TYR H . . 3.330 2.077 1.800 2.368 . 0 0 "[ . 1 . 2]" 1
777 1 46 ARG H 1 47 TYR QD . . 4.150 3.665 3.278 3.982 . 0 0 "[ . 1 . 2]" 1
778 1 46 ARG HA 1 46 ARG HD2 . . 4.670 4.052 2.439 4.674 0.004 12 0 "[ . 1 . 2]" 1
779 1 46 ARG HA 1 46 ARG HD3 . . 4.670 3.891 2.250 4.667 . 0 0 "[ . 1 . 2]" 1
780 1 46 ARG HA 1 46 ARG HG2 . . 4.030 2.443 2.219 2.713 . 0 0 "[ . 1 . 2]" 1
781 1 46 ARG HA 1 46 ARG QG . . 3.530 2.355 2.177 2.656 . 0 0 "[ . 1 . 2]" 1
782 1 46 ARG HA 1 46 ARG HG3 . . 4.030 3.207 2.667 3.783 . 0 0 "[ . 1 . 2]" 1
783 1 46 ARG HA 1 60 ILE HB . . 5.030 4.213 3.536 5.030 . 15 0 "[ . 1 . 2]" 1
784 1 46 ARG HA 1 60 ILE MD . . 4.170 2.750 2.155 3.229 . 0 0 "[ . 1 . 2]" 1
785 1 46 ARG QB 1 47 TYR H . . 3.850 3.186 2.920 3.443 . 0 0 "[ . 1 . 2]" 1
786 1 46 ARG QB 1 47 TYR QE . . 4.060 2.763 2.079 3.415 . 0 0 "[ . 1 . 2]" 1
787 1 46 ARG HB2 1 46 ARG HD2 . . 3.970 3.229 2.255 4.055 0.085 16 0 "[ . 1 . 2]" 1
788 1 46 ARG HB2 1 46 ARG HD3 . . 3.970 3.367 2.463 4.189 0.219 14 0 "[ . 1 . 2]" 1
789 1 46 ARG HB2 1 47 TYR QD . . 4.070 2.829 2.042 3.630 . 0 0 "[ . 1 . 2]" 1
790 1 46 ARG HB2 1 47 TYR QE . . 4.730 3.248 2.594 3.842 . 0 0 "[ . 1 . 2]" 1
791 1 46 ARG HB3 1 46 ARG HD2 . . 3.970 2.870 2.149 3.713 . 0 0 "[ . 1 . 2]" 1
792 1 46 ARG HB3 1 46 ARG HD3 . . 3.970 2.878 2.073 3.662 . 0 0 "[ . 1 . 2]" 1
793 1 46 ARG HB3 1 47 TYR QD . . 4.070 3.266 2.351 4.000 . 0 0 "[ . 1 . 2]" 1
794 1 46 ARG HB3 1 47 TYR QE . . 4.730 3.051 2.163 3.825 . 0 0 "[ . 1 . 2]" 1
795 1 47 TYR H 1 47 TYR HB2 . . 3.690 2.876 2.517 3.112 . 0 0 "[ . 1 . 2]" 1
796 1 47 TYR H 1 47 TYR HB3 . . 4.060 3.901 3.699 4.014 . 0 0 "[ . 1 . 2]" 1
797 1 47 TYR H 1 47 TYR QD . . 3.700 3.137 2.733 3.501 . 0 0 "[ . 1 . 2]" 1
798 1 47 TYR H 1 48 LEU H . . 4.660 4.375 4.297 4.471 . 0 0 "[ . 1 . 2]" 1
799 1 47 TYR H 1 60 ILE MD . . 4.790 3.355 3.053 3.693 . 0 0 "[ . 1 . 2]" 1
800 1 47 TYR HA 1 47 TYR QD . . 4.120 2.915 2.575 3.188 . 0 0 "[ . 1 . 2]" 1
801 1 47 TYR HA 1 48 LEU H . . 3.310 2.301 2.208 2.475 . 0 0 "[ . 1 . 2]" 1
802 1 47 TYR HA 1 59 GLU HA . . 3.990 3.071 2.445 3.800 . 0 0 "[ . 1 . 2]" 1
803 1 47 TYR HA 1 60 ILE H . . 3.910 2.445 2.178 2.838 . 0 0 "[ . 1 . 2]" 1
804 1 47 TYR HA 1 60 ILE MD . . 4.730 3.038 2.382 3.506 . 0 0 "[ . 1 . 2]" 1
805 1 47 TYR HA 1 60 ILE HG12 . . 4.590 4.053 3.789 4.512 . 0 0 "[ . 1 . 2]" 1
806 1 47 TYR HB2 1 48 LEU H . . 4.300 3.768 3.240 4.035 . 0 0 "[ . 1 . 2]" 1
807 1 47 TYR HB2 1 49 PHE QD . . 4.410 4.311 3.974 4.426 0.016 13 0 "[ . 1 . 2]" 1
808 1 47 TYR HB2 1 49 PHE QE . . 4.340 2.721 2.319 3.878 . 0 0 "[ . 1 . 2]" 1
809 1 47 TYR HB3 1 48 LEU H . . 3.980 2.729 2.368 3.003 . 0 0 "[ . 1 . 2]" 1
810 1 47 TYR HB3 1 49 PHE QD . . 4.820 4.372 4.029 4.798 . 0 0 "[ . 1 . 2]" 1
811 1 47 TYR HB3 1 49 PHE QE . . 4.540 3.225 2.669 4.423 . 0 0 "[ . 1 . 2]" 1
812 1 47 TYR QD 1 48 LEU H . . 4.380 3.960 3.565 4.246 . 0 0 "[ . 1 . 2]" 1
813 1 47 TYR QD 1 59 GLU H . . 5.310 4.574 3.827 4.994 . 0 0 "[ . 1 . 2]" 1
814 1 47 TYR QD 1 59 GLU HA . . 3.870 2.223 2.019 2.533 . 0 0 "[ . 1 . 2]" 1
815 1 47 TYR QD 1 59 GLU HB2 . . 4.370 3.647 2.281 4.371 0.001 17 0 "[ . 1 . 2]" 1
816 1 47 TYR QD 1 59 GLU QB . . 3.820 2.567 1.895 3.506 . 0 0 "[ . 1 . 2]" 1
817 1 47 TYR QD 1 59 GLU HB3 . . 4.370 2.642 2.000 3.691 . 0 0 "[ . 1 . 2]" 1
818 1 47 TYR QD 1 59 GLU QG . . 4.290 2.816 1.914 4.217 . 0 0 "[ . 1 . 2]" 1
819 1 47 TYR QD 1 60 ILE H . . 4.760 3.061 2.235 3.736 . 0 0 "[ . 1 . 2]" 1
820 1 47 TYR QE 1 59 GLU QB . . 3.810 2.946 1.990 3.713 . 0 0 "[ . 1 . 2]" 1
821 1 47 TYR QE 1 59 GLU QG . . 4.110 3.213 1.996 4.059 . 0 0 "[ . 1 . 2]" 1
822 1 48 LEU H 1 48 LEU HB2 . . 3.770 2.390 2.249 2.516 . 0 0 "[ . 1 . 2]" 1
823 1 48 LEU H 1 48 LEU QB . . 3.300 2.358 2.224 2.476 . 0 0 "[ . 1 . 2]" 1
824 1 48 LEU H 1 48 LEU HB3 . . 3.770 3.616 3.503 3.698 . 0 0 "[ . 1 . 2]" 1
825 1 48 LEU H 1 48 LEU MD1 . . 4.600 3.917 3.699 4.138 . 0 0 "[ . 1 . 2]" 1
826 1 48 LEU H 1 48 LEU MD2 . . 4.680 4.049 3.812 4.205 . 0 0 "[ . 1 . 2]" 1
827 1 48 LEU H 1 48 LEU HG . . 4.660 3.151 2.821 3.422 . 0 0 "[ . 1 . 2]" 1
828 1 48 LEU H 1 49 PHE QD . . 5.400 4.609 4.064 5.268 . 0 0 "[ . 1 . 2]" 1
829 1 48 LEU H 1 59 GLU HA . . 4.200 3.019 2.591 3.514 . 0 0 "[ . 1 . 2]" 1
830 1 48 LEU H 1 60 ILE H . . 4.940 3.261 2.738 3.946 . 0 0 "[ . 1 . 2]" 1
831 1 48 LEU H 1 60 ILE MD . . 4.450 4.029 3.437 4.445 . 0 0 "[ . 1 . 2]" 1
832 1 48 LEU H 1 60 ILE HG13 . . 4.410 3.043 2.317 3.497 . 0 0 "[ . 1 . 2]" 1
833 1 48 LEU H 1 63 ILE MD . . 5.370 4.542 4.145 4.790 . 0 0 "[ . 1 . 2]" 1
834 1 48 LEU HA 1 48 LEU MD1 . . 4.070 3.858 3.813 3.920 . 0 0 "[ . 1 . 2]" 1
835 1 48 LEU HA 1 48 LEU MD2 . . 4.050 2.080 1.966 2.275 . 0 0 "[ . 1 . 2]" 1
836 1 48 LEU HA 1 49 PHE H . . 3.150 2.229 2.164 2.340 . 0 0 "[ . 1 . 2]" 1
837 1 48 LEU QB 1 48 LEU MD1 . . 3.160 2.038 2.004 2.072 . 0 0 "[ . 1 . 2]" 1
838 1 48 LEU QB 1 48 LEU MD2 . . 2.990 2.246 2.148 2.301 . 0 0 "[ . 1 . 2]" 1
839 1 48 LEU QB 1 58 ILE H . . 4.210 3.112 2.545 3.460 . 0 0 "[ . 1 . 2]" 1
840 1 48 LEU QB 1 58 ILE MD . . 3.850 3.554 3.238 3.852 0.002 4 0 "[ . 1 . 2]" 1
841 1 48 LEU HB2 1 48 LEU MD1 . . 3.610 2.189 2.100 2.337 . 0 0 "[ . 1 . 2]" 1
842 1 48 LEU HB2 1 48 LEU MD2 . . 3.490 3.181 3.167 3.193 . 0 0 "[ . 1 . 2]" 1
843 1 48 LEU HB2 1 49 PHE H . . 4.270 4.098 3.764 4.258 . 0 0 "[ . 1 . 2]" 1
844 1 48 LEU HB3 1 48 LEU MD1 . . 3.610 2.446 2.315 2.573 . 0 0 "[ . 1 . 2]" 1
845 1 48 LEU HB3 1 48 LEU MD2 . . 3.490 2.297 2.184 2.362 . 0 0 "[ . 1 . 2]" 1
846 1 48 LEU HB3 1 49 PHE H . . 4.270 2.942 2.589 3.205 . 0 0 "[ . 1 . 2]" 1
847 1 48 LEU MD1 1 49 PHE H . . 4.980 4.793 4.483 4.990 0.010 13 0 "[ . 1 . 2]" 1
848 1 48 LEU MD1 1 58 ILE MD . . 3.980 3.437 2.884 3.956 . 0 0 "[ . 1 . 2]" 1
849 1 48 LEU MD1 1 60 ILE MD . . 4.010 3.406 2.878 3.943 . 0 0 "[ . 1 . 2]" 1
850 1 48 LEU MD1 1 60 ILE HG12 . . 4.150 2.779 2.353 3.266 . 0 0 "[ . 1 . 2]" 1
851 1 48 LEU MD1 1 63 ILE MD . . 3.220 2.342 2.092 2.572 . 0 0 "[ . 1 . 2]" 1
852 1 48 LEU MD1 1 63 ILE HG13 . . 4.990 4.506 4.188 4.874 . 0 0 "[ . 1 . 2]" 1
853 1 48 LEU MD1 1 118 TRP HH2 . . 3.660 3.041 2.411 3.426 . 0 0 "[ . 1 . 2]" 1
854 1 48 LEU MD1 1 118 TRP HZ2 . . 4.080 3.994 3.496 4.086 0.006 8 0 "[ . 1 . 2]" 1
855 1 48 LEU MD1 1 122 MET ME . . 2.950 2.176 1.836 2.735 . 0 0 "[ . 1 . 2]" 1
856 1 48 LEU MD1 1 122 MET HG2 . . 4.790 3.842 3.252 4.602 . 0 0 "[ . 1 . 2]" 1
857 1 48 LEU MD1 1 122 MET QG . . 4.140 3.507 3.036 3.975 . 0 0 "[ . 1 . 2]" 1
858 1 48 LEU MD1 1 122 MET HG3 . . 4.790 4.176 3.199 4.710 . 0 0 "[ . 1 . 2]" 1
859 1 48 LEU MD2 1 49 PHE H . . 3.960 3.037 2.493 3.398 . 0 0 "[ . 1 . 2]" 1
860 1 48 LEU MD2 1 60 ILE MD . . 3.610 3.541 3.327 3.611 0.001 13 0 "[ . 1 . 2]" 1
861 1 48 LEU MD2 1 118 TRP HH2 . . 3.850 2.726 2.298 3.127 . 0 0 "[ . 1 . 2]" 1
862 1 48 LEU MD2 1 118 TRP HZ2 . . 3.830 2.365 2.024 2.570 . 0 0 "[ . 1 . 2]" 1
863 1 48 LEU MD2 1 122 MET ME . . 3.520 2.656 2.105 3.185 . 0 0 "[ . 1 . 2]" 1
864 1 48 LEU HG 1 60 ILE MD . . 3.720 2.818 2.383 3.218 . 0 0 "[ . 1 . 2]" 1
865 1 48 LEU HG 1 122 MET ME . . 4.400 3.025 2.145 3.949 . 0 0 "[ . 1 . 2]" 1
866 1 49 PHE H 1 49 PHE HB2 . . 3.830 2.686 2.445 2.813 . 0 0 "[ . 1 . 2]" 1
867 1 49 PHE H 1 49 PHE HB3 . . 3.990 3.785 3.608 3.866 . 0 0 "[ . 1 . 2]" 1
868 1 49 PHE H 1 49 PHE QD . . 4.500 3.317 2.749 3.644 . 0 0 "[ . 1 . 2]" 1
869 1 49 PHE HA 1 49 PHE QD . . 3.460 2.492 1.998 3.111 . 0 0 "[ . 1 . 2]" 1
870 1 49 PHE HA 1 49 PHE QE . . 4.690 4.497 4.314 4.706 0.016 18 0 "[ . 1 . 2]" 1
871 1 49 PHE HA 1 50 LEU H . . 3.110 2.273 2.176 2.381 . 0 0 "[ . 1 . 2]" 1
872 1 49 PHE HA 1 50 LEU MD1 . . 5.110 4.712 4.486 4.999 . 0 0 "[ . 1 . 2]" 1
873 1 49 PHE HA 1 57 GLU HA . . 4.190 2.305 2.002 2.677 . 0 0 "[ . 1 . 2]" 1
874 1 49 PHE HA 1 58 ILE H . . 4.670 3.239 2.784 3.787 . 0 0 "[ . 1 . 2]" 1
875 1 49 PHE HB2 1 50 LEU H . . 4.430 3.876 3.519 4.114 . 0 0 "[ . 1 . 2]" 1
876 1 49 PHE HB3 1 50 LEU H . . 4.140 2.802 2.531 3.151 . 0 0 "[ . 1 . 2]" 1
877 1 49 PHE QD 1 50 LEU H . . 4.120 3.810 2.901 4.103 . 0 0 "[ . 1 . 2]" 1
878 1 49 PHE QD 1 57 GLU HA . . 3.940 3.389 2.912 3.930 . 0 0 "[ . 1 . 2]" 1
879 1 49 PHE QD 1 57 GLU QB . . 3.530 2.495 1.993 3.462 . 0 0 "[ . 1 . 2]" 1
880 1 49 PHE QD 1 57 GLU QG . . 4.130 3.188 1.871 4.124 . 0 0 "[ . 1 . 2]" 1
881 1 49 PHE QD 1 58 ILE H . . 5.040 4.454 3.808 5.045 0.005 17 0 "[ . 1 . 2]" 1
882 1 49 PHE QE 1 57 GLU QB . . 3.930 3.185 2.227 3.810 . 0 0 "[ . 1 . 2]" 1
883 1 49 PHE QE 1 57 GLU QG . . 4.540 3.591 2.428 4.488 . 0 0 "[ . 1 . 2]" 1
884 1 50 LEU H 1 50 LEU HB2 . . 4.030 2.747 2.610 2.881 . 0 0 "[ . 1 . 2]" 1
885 1 50 LEU H 1 50 LEU QB . . 3.490 2.687 2.563 2.809 . 0 0 "[ . 1 . 2]" 1
886 1 50 LEU H 1 50 LEU HB3 . . 4.030 3.809 3.715 3.901 . 0 0 "[ . 1 . 2]" 1
887 1 50 LEU H 1 50 LEU MD1 . . 4.210 3.914 3.700 4.163 . 0 0 "[ . 1 . 2]" 1
888 1 50 LEU H 1 50 LEU MD2 . . 4.530 3.768 3.539 3.975 . 0 0 "[ . 1 . 2]" 1
889 1 50 LEU H 1 50 LEU HG . . 3.940 2.783 2.554 3.001 . 0 0 "[ . 1 . 2]" 1
890 1 50 LEU H 1 51 ASP H . . 5.130 4.439 4.199 4.535 . 0 0 "[ . 1 . 2]" 1
891 1 50 LEU H 1 56 TYR H . . 3.930 3.757 3.279 3.923 . 0 0 "[ . 1 . 2]" 1
892 1 50 LEU H 1 56 TYR HB2 . . 4.460 4.207 3.837 4.457 . 0 0 "[ . 1 . 2]" 1
893 1 50 LEU H 1 56 TYR HB3 . . 4.600 4.362 3.926 4.581 . 0 0 "[ . 1 . 2]" 1
894 1 50 LEU H 1 57 GLU HA . . 4.230 2.977 2.326 3.416 . 0 0 "[ . 1 . 2]" 1
895 1 50 LEU HA 1 50 LEU MD1 . . 4.350 3.938 3.861 3.985 . 0 0 "[ . 1 . 2]" 1
896 1 50 LEU HA 1 50 LEU MD2 . . 3.830 2.310 2.005 2.533 . 0 0 "[ . 1 . 2]" 1
897 1 50 LEU HA 1 50 LEU HG . . 4.150 3.164 3.028 3.324 . 0 0 "[ . 1 . 2]" 1
898 1 50 LEU HA 1 51 ASP H . . 3.400 2.289 2.139 2.372 . 0 0 "[ . 1 . 2]" 1
899 1 50 LEU QB 1 51 ASP H . . 4.070 2.689 2.459 3.296 . 0 0 "[ . 1 . 2]" 1
900 1 50 LEU QB 1 56 TYR H . . 4.210 3.057 2.516 3.507 . 0 0 "[ . 1 . 2]" 1
901 1 50 LEU QB 1 56 TYR HB2 . . 3.950 2.088 1.989 2.304 . 0 0 "[ . 1 . 2]" 1
902 1 50 LEU QB 1 56 TYR HB3 . . 4.210 2.719 2.400 3.401 . 0 0 "[ . 1 . 2]" 1
903 1 50 LEU QB 1 56 TYR QD . . 4.150 3.826 3.546 4.152 0.002 7 0 "[ . 1 . 2]" 1
904 1 50 LEU HB2 1 50 LEU MD2 . . 3.550 3.170 3.148 3.191 . 0 0 "[ . 1 . 2]" 1
905 1 50 LEU HB2 1 51 ASP H . . 4.710 3.713 3.427 4.186 . 0 0 "[ . 1 . 2]" 1
906 1 50 LEU HB2 1 56 TYR HB2 . . 4.660 2.108 2.003 2.323 . 0 0 "[ . 1 . 2]" 1
907 1 50 LEU HB3 1 50 LEU MD2 . . 3.550 2.216 2.100 2.357 . 0 0 "[ . 1 . 2]" 1
908 1 50 LEU HB3 1 51 ASP H . . 4.710 2.762 2.507 3.449 . 0 0 "[ . 1 . 2]" 1
909 1 50 LEU HB3 1 56 TYR HB2 . . 4.660 3.404 3.116 3.832 . 0 0 "[ . 1 . 2]" 1
910 1 50 LEU MD1 1 56 TYR H . . 4.810 4.395 3.845 4.742 . 0 0 "[ . 1 . 2]" 1
911 1 50 LEU MD1 1 56 TYR HB2 . . 3.900 2.585 2.121 2.946 . 0 0 "[ . 1 . 2]" 1
912 1 50 LEU MD1 1 56 TYR HB3 . . 3.800 2.077 1.842 2.472 . 0 0 "[ . 1 . 2]" 1
913 1 50 LEU MD1 1 56 TYR QD . . 3.760 3.396 2.908 3.748 . 0 0 "[ . 1 . 2]" 1
914 1 50 LEU MD1 1 57 GLU HA . . 4.700 3.818 3.180 4.338 . 0 0 "[ . 1 . 2]" 1
915 1 50 LEU MD1 1 58 ILE H . . 4.610 3.913 3.592 4.380 . 0 0 "[ . 1 . 2]" 1
916 1 50 LEU MD1 1 58 ILE MD . . 3.190 2.041 1.796 2.488 . 0 0 "[ . 1 . 2]" 1
917 1 50 LEU MD1 1 58 ILE HG12 . . 4.050 3.601 3.073 4.037 . 0 0 "[ . 1 . 2]" 1
918 1 50 LEU MD1 1 58 ILE HG13 . . 3.980 2.495 1.986 3.049 . 0 0 "[ . 1 . 2]" 1
919 1 50 LEU MD1 1 100 LEU MD1 . . 3.350 2.967 2.599 3.351 0.001 8 0 "[ . 1 . 2]" 1
920 1 50 LEU MD1 1 100 LEU MD2 . . 3.070 2.654 2.154 2.974 . 0 0 "[ . 1 . 2]" 1
921 1 50 LEU MD2 1 51 ASP H . . 4.840 3.643 3.391 3.862 . 0 0 "[ . 1 . 2]" 1
922 1 50 LEU MD2 1 100 LEU MD2 . . 2.940 2.812 2.673 2.921 . 0 0 "[ . 1 . 2]" 1
923 1 50 LEU HG 1 51 ASP H . . 5.500 5.021 4.885 5.258 . 0 0 "[ . 1 . 2]" 1
924 1 50 LEU HG 1 56 TYR H . . 5.500 5.152 4.511 5.468 . 0 0 "[ . 1 . 2]" 1
925 1 50 LEU HG 1 56 TYR HB2 . . 4.630 4.103 3.546 4.434 . 0 0 "[ . 1 . 2]" 1
926 1 50 LEU HG 1 56 TYR HB3 . . 3.710 3.620 3.413 3.710 0.000 15 0 "[ . 1 . 2]" 1
927 1 50 LEU HG 1 57 GLU HA . . 4.530 3.273 2.644 3.816 . 0 0 "[ . 1 . 2]" 1
928 1 51 ASP H 1 51 ASP QB . . 3.630 2.659 2.409 3.056 . 0 0 "[ . 1 . 2]" 1
929 1 51 ASP H 1 52 GLY H . . 4.480 4.270 4.004 4.475 . 0 0 "[ . 1 . 2]" 1
930 1 51 ASP HA 1 52 GLY H . . 2.940 2.175 2.142 2.236 . 0 0 "[ . 1 . 2]" 1
931 1 51 ASP HA 1 54 SER H . . 5.330 5.178 4.883 5.327 . 0 0 "[ . 1 . 2]" 1
932 1 51 ASP HA 1 55 HIS HA . . 4.050 3.733 3.180 4.019 . 0 0 "[ . 1 . 2]" 1
933 1 51 ASP HA 1 56 TYR H . . 4.290 3.939 3.719 4.259 . 0 0 "[ . 1 . 2]" 1
934 1 51 ASP QB 1 52 GLY H . . 3.630 3.463 3.108 3.630 0.000 19 0 "[ . 1 . 2]" 1
935 1 51 ASP HB2 1 52 GLY H . . 4.430 4.243 3.884 4.402 . 0 0 "[ . 1 . 2]" 1
936 1 51 ASP HB3 1 52 GLY H . . 4.430 3.705 3.188 4.361 . 0 0 "[ . 1 . 2]" 1
937 1 52 GLY H 1 53 ASP H . . 4.340 4.120 3.883 4.344 0.004 13 0 "[ . 1 . 2]" 1
938 1 52 GLY H 1 54 SER HA . . 4.860 4.695 4.438 4.841 . 0 0 "[ . 1 . 2]" 1
939 1 52 GLY H 1 55 HIS HA . . 4.520 4.254 3.781 4.522 0.002 7 0 "[ . 1 . 2]" 1
940 1 52 GLY HA2 1 54 SER H . . 4.870 4.655 4.292 4.871 0.001 20 0 "[ . 1 . 2]" 1
941 1 52 GLY HA3 1 54 SER H . . 4.060 3.823 3.419 4.019 . 0 0 "[ . 1 . 2]" 1
942 1 53 ASP H 1 53 ASP HB2 . . 4.170 2.731 2.225 3.614 . 0 0 "[ . 1 . 2]" 1
943 1 53 ASP H 1 53 ASP QB . . 3.610 2.397 2.166 2.800 . 0 0 "[ . 1 . 2]" 1
944 1 53 ASP H 1 53 ASP HB3 . . 4.170 3.111 2.219 3.624 . 0 0 "[ . 1 . 2]" 1
945 1 53 ASP H 1 54 SER H . . 3.320 2.965 2.734 3.078 . 0 0 "[ . 1 . 2]" 1
946 1 53 ASP QB 1 54 SER H . . 3.360 2.741 2.425 3.311 . 0 0 "[ . 1 . 2]" 1
947 1 53 ASP HB2 1 54 SER H . . 4.080 3.185 2.485 4.069 . 0 0 "[ . 1 . 2]" 1
948 1 53 ASP HB3 1 54 SER H . . 4.080 3.348 2.465 4.022 . 0 0 "[ . 1 . 2]" 1
949 1 54 SER H 1 54 SER QB . . 3.370 2.800 2.677 3.212 . 0 0 "[ . 1 . 2]" 1
950 1 54 SER H 1 55 HIS H . . 4.530 4.380 4.300 4.399 . 0 0 "[ . 1 . 2]" 1
951 1 54 SER HA 1 55 HIS H . . 3.030 2.461 2.228 2.601 . 0 0 "[ . 1 . 2]" 1
952 1 54 SER QB 1 55 HIS H . . 3.180 2.490 2.006 3.181 0.001 3 0 "[ . 1 . 2]" 1
953 1 54 SER QB 1 56 TYR QE . . 3.910 2.639 1.986 3.747 . 0 0 "[ . 1 . 2]" 1
954 1 55 HIS H 1 55 HIS QB . . 3.160 2.382 2.128 2.855 . 0 0 "[ . 1 . 2]" 1
955 1 55 HIS H 1 55 HIS HD2 . . 4.380 3.128 2.092 4.425 0.045 7 0 "[ . 1 . 2]" 1
956 1 55 HIS H 1 56 TYR H . . 4.640 4.300 3.992 4.528 . 0 0 "[ . 1 . 2]" 1
957 1 55 HIS HA 1 56 TYR H . . 3.130 2.182 2.140 2.291 . 0 0 "[ . 1 . 2]" 1
958 1 55 HIS QB 1 56 TYR H . . 3.990 3.589 3.208 3.876 . 0 0 "[ . 1 . 2]" 1
959 1 56 TYR H 1 56 TYR HB2 . . 3.970 2.421 2.246 2.773 . 0 0 "[ . 1 . 2]" 1
960 1 56 TYR H 1 56 TYR QD . . 3.980 3.463 2.999 3.964 . 0 0 "[ . 1 . 2]" 1
961 1 56 TYR H 1 57 GLU H . . 4.570 4.492 4.373 4.562 . 0 0 "[ . 1 . 2]" 1
962 1 56 TYR HA 1 56 TYR QD . . 3.950 2.660 2.192 3.051 . 0 0 "[ . 1 . 2]" 1
963 1 56 TYR HA 1 57 GLU H . . 3.160 2.302 2.236 2.460 . 0 0 "[ . 1 . 2]" 1
964 1 56 TYR HB2 1 57 GLU H . . 4.320 4.054 3.780 4.176 . 0 0 "[ . 1 . 2]" 1
965 1 56 TYR HB3 1 57 GLU H . . 3.710 2.775 2.359 2.971 . 0 0 "[ . 1 . 2]" 1
966 1 56 TYR HB3 1 57 GLU HA . . 4.100 4.062 3.987 4.106 0.006 7 0 "[ . 1 . 2]" 1
967 1 56 TYR QD 1 57 GLU H . . 4.170 3.056 2.718 3.710 . 0 0 "[ . 1 . 2]" 1
968 1 57 GLU H 1 57 GLU QB . . 3.550 2.938 2.622 3.295 . 0 0 "[ . 1 . 2]" 1
969 1 57 GLU H 1 57 GLU QG . . 3.750 3.237 2.410 3.782 0.032 13 0 "[ . 1 . 2]" 1
970 1 57 GLU H 1 58 ILE H . . 4.440 4.131 3.979 4.339 . 0 0 "[ . 1 . 2]" 1
971 1 57 GLU HA 1 58 ILE H . . 3.180 2.162 2.139 2.276 . 0 0 "[ . 1 . 2]" 1
972 1 57 GLU QB 1 58 ILE H . . 3.910 3.281 2.699 3.821 . 0 0 "[ . 1 . 2]" 1
973 1 57 GLU QB 1 58 ILE HA . . 4.950 4.486 4.214 4.927 . 0 0 "[ . 1 . 2]" 1
974 1 57 GLU QG 1 58 ILE H . . 4.610 3.920 2.760 4.502 . 0 0 "[ . 1 . 2]" 1
975 1 58 ILE H 1 58 ILE HB . . 3.650 2.585 2.492 2.722 . 0 0 "[ . 1 . 2]" 1
976 1 58 ILE H 1 58 ILE MD . . 4.320 3.661 3.486 3.994 . 0 0 "[ . 1 . 2]" 1
977 1 58 ILE H 1 58 ILE HG12 . . 4.220 4.049 3.806 4.210 . 0 0 "[ . 1 . 2]" 1
978 1 58 ILE H 1 58 ILE HG13 . . 4.050 2.730 2.552 2.888 . 0 0 "[ . 1 . 2]" 1
979 1 58 ILE H 1 58 ILE MG . . 4.220 3.824 3.784 3.886 . 0 0 "[ . 1 . 2]" 1
980 1 58 ILE HA 1 58 ILE MD . . 4.240 3.875 3.797 3.925 . 0 0 "[ . 1 . 2]" 1
981 1 58 ILE HA 1 58 ILE HG12 . . 4.020 2.712 2.479 2.867 . 0 0 "[ . 1 . 2]" 1
982 1 58 ILE HA 1 58 ILE HG13 . . 4.180 2.801 2.662 3.066 . 0 0 "[ . 1 . 2]" 1
983 1 58 ILE HA 1 58 ILE MG . . 3.600 2.419 2.337 2.473 . 0 0 "[ . 1 . 2]" 1
984 1 58 ILE HA 1 59 GLU H . . 3.140 2.183 2.148 2.191 . 0 0 "[ . 1 . 2]" 1
985 1 58 ILE HA 1 59 GLU QG . . 5.320 4.379 3.693 5.083 . 0 0 "[ . 1 . 2]" 1
986 1 58 ILE HB 1 58 ILE MD . . 3.440 2.257 2.146 2.396 . 0 0 "[ . 1 . 2]" 1
987 1 58 ILE HB 1 59 GLU H . . 4.700 4.421 4.322 4.453 . 0 0 "[ . 1 . 2]" 1
988 1 58 ILE MD 1 89 TYR QD . . 4.340 3.376 2.990 4.051 . 0 0 "[ . 1 . 2]" 1
989 1 58 ILE MD 1 89 TYR QE . . 3.810 2.280 1.975 2.883 . 0 0 "[ . 1 . 2]" 1
990 1 58 ILE HG12 1 58 ILE MG . . 3.550 2.132 2.038 2.338 . 0 0 "[ . 1 . 2]" 1
991 1 58 ILE HG12 1 59 GLU H . . 5.040 4.792 4.609 4.906 . 0 0 "[ . 1 . 2]" 1
992 1 58 ILE HG12 1 89 TYR QD . . 4.710 3.923 3.432 4.312 . 0 0 "[ . 1 . 2]" 1
993 1 58 ILE HG13 1 59 GLU H . . 5.160 4.921 4.810 5.157 . 0 0 "[ . 1 . 2]" 1
994 1 58 ILE MG 1 59 GLU H . . 3.790 3.075 2.779 3.238 . 0 0 "[ . 1 . 2]" 1
995 1 58 ILE MG 1 60 ILE HA . . 4.780 3.797 3.320 4.159 . 0 0 "[ . 1 . 2]" 1
996 1 58 ILE MG 1 63 ILE H . . 4.970 3.840 3.647 4.076 . 0 0 "[ . 1 . 2]" 1
997 1 58 ILE MG 1 63 ILE MD . . 3.620 2.082 1.809 2.432 . 0 0 "[ . 1 . 2]" 1
998 1 58 ILE MG 1 63 ILE HG12 . . 3.770 2.435 2.316 2.641 . 0 0 "[ . 1 . 2]" 1
999 1 58 ILE MG 1 63 ILE HG13 . . 3.880 2.664 2.408 3.395 . 0 0 "[ . 1 . 2]" 1
1000 1 58 ILE MG 1 63 ILE MG . . 3.780 3.776 3.753 3.802 0.022 4 0 "[ . 1 . 2]" 1
1001 1 58 ILE MG 1 89 TYR QB . . 4.140 2.808 2.339 3.086 . 0 0 "[ . 1 . 2]" 1
1002 1 58 ILE MG 1 89 TYR QD . . 4.060 2.500 2.173 2.801 . 0 0 "[ . 1 . 2]" 1
1003 1 58 ILE MG 1 89 TYR QE . . 4.440 3.164 2.897 3.555 . 0 0 "[ . 1 . 2]" 1
1004 1 59 GLU H 1 59 GLU HB2 . . 4.050 2.703 2.178 3.593 . 0 0 "[ . 1 . 2]" 1
1005 1 59 GLU H 1 59 GLU QB . . 3.360 2.425 2.157 2.852 . 0 0 "[ . 1 . 2]" 1
1006 1 59 GLU H 1 59 GLU HB3 . . 4.050 3.331 2.600 3.632 . 0 0 "[ . 1 . 2]" 1
1007 1 59 GLU H 1 59 GLU QG . . 3.400 2.638 1.992 3.344 . 0 0 "[ . 1 . 2]" 1
1008 1 59 GLU H 1 63 ILE MD . . 5.150 5.050 4.917 5.147 . 0 0 "[ . 1 . 2]" 1
1009 1 59 GLU HA 1 60 ILE H . . 3.330 2.162 2.139 2.308 . 0 0 "[ . 1 . 2]" 1
1010 1 59 GLU HA 1 60 ILE HA . . 4.760 4.375 4.326 4.462 . 0 0 "[ . 1 . 2]" 1
1011 1 59 GLU HA 1 60 ILE HB . . 5.430 4.636 4.540 4.760 . 0 0 "[ . 1 . 2]" 1
1012 1 59 GLU HA 1 60 ILE HG12 . . 5.340 5.132 4.736 5.312 . 0 0 "[ . 1 . 2]" 1
1013 1 59 GLU HA 1 60 ILE HG13 . . 4.370 3.813 3.659 4.003 . 0 0 "[ . 1 . 2]" 1
1014 1 59 GLU QB 1 60 ILE H . . 3.820 3.264 2.615 3.685 . 0 0 "[ . 1 . 2]" 1
1015 1 59 GLU QB 1 61 VAL H . . 3.820 2.760 2.355 3.520 . 0 0 "[ . 1 . 2]" 1
1016 1 59 GLU QB 1 61 VAL QG . . 3.140 1.903 1.756 2.097 . 0 0 "[ . 1 . 2]" 1
1017 1 59 GLU QB 1 62 HIS H . . 3.790 3.013 2.565 3.488 . 0 0 "[ . 1 . 2]" 1
1018 1 59 GLU QB 1 62 HIS HD2 . . 4.000 2.802 1.909 3.889 . 0 0 "[ . 1 . 2]" 1
1019 1 59 GLU HB2 1 60 ILE H . . 4.680 4.026 3.133 4.583 . 0 0 "[ . 1 . 2]" 1
1020 1 59 GLU HB2 1 61 VAL MG1 . . 5.110 4.316 3.007 5.110 . 0 0 "[ . 1 . 2]" 1
1021 1 59 GLU HB2 1 61 VAL MG2 . . 5.110 2.554 1.809 3.449 . 0 0 "[ . 1 . 2]" 1
1022 1 59 GLU HB2 1 62 HIS HD2 . . 4.640 2.972 2.051 4.270 . 0 0 "[ . 1 . 2]" 1
1023 1 59 GLU HB3 1 60 ILE H . . 4.680 3.621 2.661 4.247 . 0 0 "[ . 1 . 2]" 1
1024 1 59 GLU HB3 1 61 VAL MG1 . . 5.110 3.744 2.714 5.003 . 0 0 "[ . 1 . 2]" 1
1025 1 59 GLU HB3 1 61 VAL MG2 . . 5.110 2.351 1.783 3.433 . 0 0 "[ . 1 . 2]" 1
1026 1 59 GLU HB3 1 62 HIS HD2 . . 4.640 3.711 2.215 4.618 . 0 0 "[ . 1 . 2]" 1
1027 1 59 GLU QG 1 60 ILE H . . 4.580 4.153 3.835 4.599 0.019 10 0 "[ . 1 . 2]" 1
1028 1 59 GLU QG 1 61 VAL H . . 4.490 4.191 3.506 4.497 0.007 15 0 "[ . 1 . 2]" 1
1029 1 59 GLU QG 1 61 VAL QG . . 3.820 2.777 1.883 3.420 . 0 0 "[ . 1 . 2]" 1
1030 1 60 ILE H 1 60 ILE HB . . 3.630 2.560 2.396 2.670 . 0 0 "[ . 1 . 2]" 1
1031 1 60 ILE H 1 60 ILE MD . . 4.260 3.556 3.365 3.856 . 0 0 "[ . 1 . 2]" 1
1032 1 60 ILE H 1 60 ILE HG12 . . 3.780 3.334 3.005 3.690 . 0 0 "[ . 1 . 2]" 1
1033 1 60 ILE H 1 60 ILE HG13 . . 3.870 2.079 1.921 2.564 . 0 0 "[ . 1 . 2]" 1
1034 1 60 ILE H 1 60 ILE MG . . 4.150 3.762 3.739 3.773 . 0 0 "[ . 1 . 2]" 1
1035 1 60 ILE H 1 61 VAL H . . 4.200 2.715 2.379 3.015 . 0 0 "[ . 1 . 2]" 1
1036 1 60 ILE H 1 63 ILE MD . . 4.610 3.857 3.666 4.155 . 0 0 "[ . 1 . 2]" 1
1037 1 60 ILE HA 1 60 ILE MD . . 3.910 3.825 3.754 3.872 . 0 0 "[ . 1 . 2]" 1
1038 1 60 ILE HA 1 60 ILE HG12 . . 4.240 2.531 2.403 2.640 . 0 0 "[ . 1 . 2]" 1
1039 1 60 ILE HA 1 60 ILE HG13 . . 4.030 2.995 2.860 3.208 . 0 0 "[ . 1 . 2]" 1
1040 1 60 ILE HA 1 60 ILE MG . . 3.580 2.371 2.276 2.469 . 0 0 "[ . 1 . 2]" 1
1041 1 60 ILE HA 1 62 HIS H . . 4.570 3.827 3.555 4.355 . 0 0 "[ . 1 . 2]" 1
1042 1 60 ILE HA 1 63 ILE H . . 4.370 3.124 2.948 3.600 . 0 0 "[ . 1 . 2]" 1
1043 1 60 ILE HA 1 63 ILE HB . . 4.530 2.799 2.597 3.306 . 0 0 "[ . 1 . 2]" 1
1044 1 60 ILE HA 1 63 ILE MD . . 3.500 2.108 1.942 2.349 . 0 0 "[ . 1 . 2]" 1
1045 1 60 ILE HA 1 63 ILE HG13 . . 4.050 2.225 1.967 2.563 . 0 0 "[ . 1 . 2]" 1
1046 1 60 ILE HA 1 63 ILE MG . . 4.040 3.990 3.875 4.118 0.078 4 0 "[ . 1 . 2]" 1
1047 1 60 ILE HB 1 60 ILE MD . . 3.670 2.379 2.296 2.508 . 0 0 "[ . 1 . 2]" 1
1048 1 60 ILE HB 1 61 VAL H . . 4.070 2.898 2.380 3.379 . 0 0 "[ . 1 . 2]" 1
1049 1 60 ILE HB 1 61 VAL HA . . 4.960 4.278 4.133 4.470 . 0 0 "[ . 1 . 2]" 1
1050 1 60 ILE HB 1 129 LEU MD1 . . 3.810 3.666 3.348 3.811 0.001 8 0 "[ . 1 . 2]" 1
1051 1 60 ILE MD 1 60 ILE MG . . 3.180 2.011 1.895 2.170 . 0 0 "[ . 1 . 2]" 1
1052 1 60 ILE MD 1 63 ILE MD . . 3.900 3.815 3.653 3.902 0.002 8 0 "[ . 1 . 2]" 1
1053 1 60 ILE MD 1 122 MET ME . . 3.320 2.546 1.983 3.185 . 0 0 "[ . 1 . 2]" 1
1054 1 60 ILE MD 1 129 LEU MD1 . . 3.620 2.207 1.865 2.706 . 0 0 "[ . 1 . 2]" 1
1055 1 60 ILE HG12 1 60 ILE MG . . 3.490 2.363 2.186 2.475 . 0 0 "[ . 1 . 2]" 1
1056 1 60 ILE HG12 1 61 VAL H . . 5.190 5.057 4.862 5.180 . 0 0 "[ . 1 . 2]" 1
1057 1 60 ILE HG12 1 63 ILE MD . . 4.170 2.539 2.377 2.697 . 0 0 "[ . 1 . 2]" 1
1058 1 60 ILE HG12 1 122 MET ME . . 3.750 3.184 2.607 3.673 . 0 0 "[ . 1 . 2]" 1
1059 1 60 ILE HG13 1 60 ILE MG . . 3.480 3.191 3.175 3.202 . 0 0 "[ . 1 . 2]" 1
1060 1 60 ILE HG13 1 61 VAL H . . 5.120 4.319 4.105 4.596 . 0 0 "[ . 1 . 2]" 1
1061 1 60 ILE HG13 1 63 ILE MD . . 4.170 3.481 3.233 3.866 . 0 0 "[ . 1 . 2]" 1
1062 1 60 ILE MG 1 61 VAL H . . 4.380 3.651 3.283 3.974 . 0 0 "[ . 1 . 2]" 1
1063 1 60 ILE MG 1 61 VAL HA . . 4.450 3.656 3.448 3.844 . 0 0 "[ . 1 . 2]" 1
1064 1 60 ILE MG 1 63 ILE HB . . 4.410 2.907 2.594 3.186 . 0 0 "[ . 1 . 2]" 1
1065 1 60 ILE MG 1 63 ILE HG13 . . 4.520 3.916 3.539 4.163 . 0 0 "[ . 1 . 2]" 1
1066 1 61 VAL H 1 61 VAL HB . . 3.830 3.612 3.583 3.639 . 0 0 "[ . 1 . 2]" 1
1067 1 61 VAL H 1 61 VAL MG1 . . 3.180 2.225 1.941 2.541 . 0 0 "[ . 1 . 2]" 1
1068 1 61 VAL H 1 61 VAL MG2 . . 3.180 2.277 1.859 2.572 . 0 0 "[ . 1 . 2]" 1
1069 1 61 VAL H 1 62 HIS H . . 3.940 2.686 2.420 2.983 . 0 0 "[ . 1 . 2]" 1
1070 1 61 VAL HA 1 61 VAL MG1 . . 3.430 2.318 2.185 2.515 . 0 0 "[ . 1 . 2]" 1
1071 1 61 VAL HA 1 61 VAL QG . . 2.930 2.264 2.149 2.426 . 0 0 "[ . 1 . 2]" 1
1072 1 61 VAL HA 1 61 VAL MG2 . . 3.430 3.186 3.179 3.192 . 0 0 "[ . 1 . 2]" 1
1073 1 61 VAL HB 1 62 HIS H . . 4.040 3.915 3.455 4.041 0.001 5 0 "[ . 1 . 2]" 1
1074 1 61 VAL QG 1 62 HIS H . . 3.360 2.016 1.818 2.319 . 0 0 "[ . 1 . 2]" 1
1075 1 61 VAL QG 1 62 HIS HD2 . . 4.050 2.603 1.788 3.990 . 0 0 "[ . 1 . 2]" 1
1076 1 61 VAL MG1 1 62 HIS H . . 4.180 3.951 3.683 4.167 . 0 0 "[ . 1 . 2]" 1
1077 1 61 VAL MG2 1 62 HIS H . . 4.180 2.023 1.821 2.330 . 0 0 "[ . 1 . 2]" 1
1078 1 62 HIS H 1 62 HIS QB . . 3.270 2.230 2.164 2.341 . 0 0 "[ . 1 . 2]" 1
1079 1 62 HIS H 1 63 ILE H . . 3.310 2.377 2.108 2.797 . 0 0 "[ . 1 . 2]" 1
1080 1 62 HIS H 1 63 ILE HG13 . . 3.920 3.649 3.364 3.918 . 0 0 "[ . 1 . 2]" 1
1081 1 62 HIS HA 1 90 THR H . . 4.690 4.471 4.222 4.648 . 0 0 "[ . 1 . 2]" 1
1082 1 62 HIS QB 1 63 ILE H . . 3.860 2.633 2.364 2.940 . 0 0 "[ . 1 . 2]" 1
1083 1 62 HIS QB 1 90 THR H . . 3.670 2.699 2.258 3.249 . 0 0 "[ . 1 . 2]" 1
1084 1 62 HIS HB2 1 63 ILE H . . 4.560 2.758 2.464 3.070 . 0 0 "[ . 1 . 2]" 1
1085 1 62 HIS HB3 1 63 ILE H . . 4.560 3.342 3.047 3.763 . 0 0 "[ . 1 . 2]" 1
1086 1 63 ILE H 1 63 ILE HB . . 3.240 2.710 2.633 3.044 . 0 0 "[ . 1 . 2]" 1
1087 1 63 ILE H 1 63 ILE MD . . 3.940 3.550 3.434 3.624 . 0 0 "[ . 1 . 2]" 1
1088 1 63 ILE H 1 63 ILE HG12 . . 3.580 3.024 2.307 3.262 . 0 0 "[ . 1 . 2]" 1
1089 1 63 ILE H 1 63 ILE HG13 . . 3.590 1.912 1.868 1.971 . 0 0 "[ . 1 . 2]" 1
1090 1 63 ILE H 1 63 ILE MG . . 3.830 3.761 3.667 3.778 . 0 0 "[ . 1 . 2]" 1
1091 1 63 ILE H 1 64 SER H . . 4.770 4.552 4.474 4.620 . 0 0 "[ . 1 . 2]" 1
1092 1 63 ILE H 1 89 TYR QB . . 4.850 3.341 2.952 3.747 . 0 0 "[ . 1 . 2]" 1
1093 1 63 ILE HA 1 63 ILE MD . . 4.320 3.822 3.775 3.864 . 0 0 "[ . 1 . 2]" 1
1094 1 63 ILE HA 1 63 ILE HG12 . . 4.120 2.545 2.479 2.675 . 0 0 "[ . 1 . 2]" 1
1095 1 63 ILE HA 1 64 SER H . . 3.360 2.166 2.139 2.254 . 0 0 "[ . 1 . 2]" 1
1096 1 63 ILE HA 1 65 THR H . . 4.530 4.281 3.890 4.523 . 0 0 "[ . 1 . 2]" 1
1097 1 63 ILE HA 1 89 TYR H . . 4.600 4.512 4.353 4.606 0.006 20 0 "[ . 1 . 2]" 1
1098 1 63 ILE HA 1 89 TYR HA . . 3.960 2.352 2.072 2.649 . 0 0 "[ . 1 . 2]" 1
1099 1 63 ILE HA 1 89 TYR QB . . 4.080 2.207 1.992 2.446 . 0 0 "[ . 1 . 2]" 1
1100 1 63 ILE HA 1 89 TYR QD . . 4.800 4.032 3.611 4.287 . 0 0 "[ . 1 . 2]" 1
1101 1 63 ILE HA 1 90 THR H . . 4.410 4.068 3.777 4.362 . 0 0 "[ . 1 . 2]" 1
1102 1 63 ILE HB 1 63 ILE MD . . 3.530 2.396 2.253 2.529 . 0 0 "[ . 1 . 2]" 1
1103 1 63 ILE MD 1 63 ILE MG . . 3.430 2.053 1.891 2.274 . 0 0 "[ . 1 . 2]" 1
1104 1 63 ILE MD 1 88 GLN H . . 5.500 4.663 4.362 5.001 . 0 0 "[ . 1 . 2]" 1
1105 1 63 ILE MD 1 89 TYR QB . . 4.320 3.726 3.533 3.980 . 0 0 "[ . 1 . 2]" 1
1106 1 63 ILE MD 1 122 MET ME . . 3.860 3.449 3.069 3.826 . 0 0 "[ . 1 . 2]" 1
1107 1 63 ILE HG12 1 63 ILE MG . . 3.250 2.337 2.195 2.448 . 0 0 "[ . 1 . 2]" 1
1108 1 63 ILE HG12 1 64 SER H . . 4.820 4.423 4.329 4.608 . 0 0 "[ . 1 . 2]" 1
1109 1 63 ILE HG12 1 88 GLN H . . 5.500 4.825 4.273 5.481 . 0 0 "[ . 1 . 2]" 1
1110 1 63 ILE HG12 1 89 TYR HA . . 4.720 4.164 3.822 4.546 . 0 0 "[ . 1 . 2]" 1
1111 1 63 ILE HG12 1 89 TYR QB . . 4.480 2.193 1.995 2.489 . 0 0 "[ . 1 . 2]" 1
1112 1 63 ILE HG12 1 89 TYR QD . . 4.280 2.909 2.492 3.358 . 0 0 "[ . 1 . 2]" 1
1113 1 63 ILE HG13 1 64 SER H . . 5.130 5.099 4.938 5.164 0.034 4 0 "[ . 1 . 2]" 1
1114 1 63 ILE HG13 1 89 TYR QD . . 4.900 4.440 4.001 4.898 . 0 0 "[ . 1 . 2]" 1
1115 1 63 ILE MG 1 64 SER H . . 3.710 2.300 1.965 2.565 . 0 0 "[ . 1 . 2]" 1
1116 1 63 ILE MG 1 64 SER HA . . 4.870 3.823 3.635 4.000 . 0 0 "[ . 1 . 2]" 1
1117 1 63 ILE MG 1 65 THR H . . 3.320 2.999 2.425 3.241 . 0 0 "[ . 1 . 2]" 1
1118 1 63 ILE MG 1 65 THR HA . . 5.350 4.245 3.985 4.370 . 0 0 "[ . 1 . 2]" 1
1119 1 63 ILE MG 1 87 LEU HB2 . . 4.230 4.102 3.725 4.233 0.003 15 0 "[ . 1 . 2]" 1
1120 1 63 ILE MG 1 87 LEU HB3 . . 4.230 2.681 2.371 2.997 . 0 0 "[ . 1 . 2]" 1
1121 1 63 ILE MG 1 88 GLN H . . 3.870 2.763 2.451 2.971 . 0 0 "[ . 1 . 2]" 1
1122 1 63 ILE MG 1 89 TYR HA . . 4.780 3.927 3.554 4.240 . 0 0 "[ . 1 . 2]" 1
1123 1 63 ILE MG 1 89 TYR QB . . 4.410 3.293 2.692 3.493 . 0 0 "[ . 1 . 2]" 1
1124 1 64 SER H 1 65 THR H . . 3.190 2.329 1.922 2.671 . 0 0 "[ . 1 . 2]" 1
1125 1 64 SER H 1 88 GLN H . . 4.410 4.081 3.834 4.291 . 0 0 "[ . 1 . 2]" 1
1126 1 64 SER H 1 89 TYR HA . . 3.660 2.834 2.307 3.166 . 0 0 "[ . 1 . 2]" 1
1127 1 64 SER H 1 89 TYR QB . . 4.030 3.797 3.497 4.026 . 0 0 "[ . 1 . 2]" 1
1128 1 64 SER H 1 90 THR H . . 4.980 4.775 3.940 4.983 0.003 15 0 "[ . 1 . 2]" 1
1129 1 64 SER QB 1 65 THR H . . 3.560 2.361 2.021 3.458 . 0 0 "[ . 1 . 2]" 1
1130 1 64 SER HB2 1 65 THR H . . 4.190 3.239 2.085 3.976 . 0 0 "[ . 1 . 2]" 1
1131 1 64 SER HB3 1 65 THR H . . 4.190 2.704 2.035 3.898 . 0 0 "[ . 1 . 2]" 1
1132 1 65 THR H 1 65 THR HB . . 3.620 2.591 2.500 2.669 . 0 0 "[ . 1 . 2]" 1
1133 1 65 THR H 1 65 THR MG . . 4.080 3.832 3.788 3.866 . 0 0 "[ . 1 . 2]" 1
1134 1 65 THR H 1 66 VAL H . . 4.630 4.507 4.425 4.541 . 0 0 "[ . 1 . 2]" 1
1135 1 65 THR H 1 88 GLN H . . 3.640 3.447 3.140 3.593 . 0 0 "[ . 1 . 2]" 1
1136 1 65 THR H 1 88 GLN HA . . 4.940 4.850 4.651 4.943 0.003 20 0 "[ . 1 . 2]" 1
1137 1 65 THR H 1 88 GLN HB2 . . 3.980 2.318 2.181 2.458 . 0 0 "[ . 1 . 2]" 1
1138 1 65 THR H 1 88 GLN HB3 . . 4.140 3.493 3.165 3.806 . 0 0 "[ . 1 . 2]" 1
1139 1 65 THR H 1 88 GLN HG2 . . 5.440 5.291 5.133 5.425 . 0 0 "[ . 1 . 2]" 1
1140 1 65 THR H 1 88 GLN HG3 . . 4.660 4.494 4.396 4.602 . 0 0 "[ . 1 . 2]" 1
1141 1 65 THR H 1 89 TYR HA . . 5.060 4.647 4.456 4.886 . 0 0 "[ . 1 . 2]" 1
1142 1 65 THR HA 1 65 THR MG . . 3.240 2.350 2.258 2.428 . 0 0 "[ . 1 . 2]" 1
1143 1 65 THR HA 1 66 VAL H . . 2.870 2.226 2.165 2.332 . 0 0 "[ . 1 . 2]" 1
1144 1 65 THR HB 1 66 VAL H . . 4.080 3.941 3.661 4.061 . 0 0 "[ . 1 . 2]" 1
1145 1 65 THR HB 1 88 GLN H . . 3.890 3.606 3.157 3.828 . 0 0 "[ . 1 . 2]" 1
1146 1 65 THR HB 1 88 GLN HB2 . . 3.690 2.044 1.999 2.150 . 0 0 "[ . 1 . 2]" 1
1147 1 65 THR HB 1 88 GLN HB3 . . 3.600 3.546 3.475 3.604 0.004 8 0 "[ . 1 . 2]" 1
1148 1 65 THR HB 1 88 GLN HG2 . . 4.280 4.180 3.987 4.284 0.004 6 0 "[ . 1 . 2]" 1
1149 1 65 THR HB 1 88 GLN HG3 . . 4.080 2.835 2.563 3.163 . 0 0 "[ . 1 . 2]" 1
1150 1 65 THR MG 1 66 VAL H . . 3.590 2.168 1.923 2.447 . 0 0 "[ . 1 . 2]" 1
1151 1 65 THR MG 1 66 VAL HB . . 4.690 4.542 4.366 4.696 0.006 6 0 "[ . 1 . 2]" 1
1152 1 65 THR MG 1 67 GLN H . . 4.060 3.482 3.355 3.644 . 0 0 "[ . 1 . 2]" 1
1153 1 65 THR MG 1 67 GLN HB2 . . 4.660 4.604 4.441 4.661 0.001 14 0 "[ . 1 . 2]" 1
1154 1 65 THR MG 1 67 GLN HB3 . . 4.050 3.176 2.987 3.320 . 0 0 "[ . 1 . 2]" 1
1155 1 65 THR MG 1 67 GLN QG . . 3.890 3.310 3.009 3.573 . 0 0 "[ . 1 . 2]" 1
1156 1 65 THR MG 1 86 PHE QE . . 5.130 4.261 3.339 5.127 . 0 0 "[ . 1 . 2]" 1
1157 1 65 THR MG 1 88 GLN H . . 4.560 4.293 3.913 4.558 . 0 0 "[ . 1 . 2]" 1
1158 1 65 THR MG 1 88 GLN HB2 . . 3.750 3.700 3.596 3.754 0.004 6 0 "[ . 1 . 2]" 1
1159 1 65 THR MG 1 88 GLN HB3 . . 5.500 4.941 4.857 4.992 . 0 0 "[ . 1 . 2]" 1
1160 1 65 THR MG 1 88 GLN HG2 . . 5.240 4.926 4.661 5.212 . 0 0 "[ . 1 . 2]" 1
1161 1 65 THR MG 1 88 GLN HG3 . . 4.050 3.526 3.197 3.986 . 0 0 "[ . 1 . 2]" 1
1162 1 66 VAL H 1 66 VAL HB . . 3.610 2.822 2.748 2.922 . 0 0 "[ . 1 . 2]" 1
1163 1 66 VAL H 1 66 VAL MG1 . . 4.130 3.897 3.808 3.954 . 0 0 "[ . 1 . 2]" 1
1164 1 66 VAL H 1 66 VAL MG2 . . 3.700 3.041 2.900 3.287 . 0 0 "[ . 1 . 2]" 1
1165 1 66 VAL H 1 67 GLN H . . 4.730 3.904 3.829 4.012 . 0 0 "[ . 1 . 2]" 1
1166 1 66 VAL HA 1 66 VAL MG1 . . 3.750 2.403 2.285 2.485 . 0 0 "[ . 1 . 2]" 1
1167 1 66 VAL HA 1 67 GLN H . . 3.280 2.168 2.150 2.187 . 0 0 "[ . 1 . 2]" 1
1168 1 66 VAL HA 1 87 LEU HA . . 4.230 2.615 2.289 2.783 . 0 0 "[ . 1 . 2]" 1
1169 1 66 VAL HA 1 87 LEU MD2 . . 3.970 2.390 1.993 3.033 . 0 0 "[ . 1 . 2]" 1
1170 1 66 VAL HB 1 67 GLN H . . 4.510 4.418 4.363 4.486 . 0 0 "[ . 1 . 2]" 1
1171 1 66 VAL HB 1 87 LEU MD2 . . 4.040 3.917 3.725 4.030 . 0 0 "[ . 1 . 2]" 1
1172 1 66 VAL HB 1 126 ALA MB . . 4.010 3.469 2.627 3.910 . 0 0 "[ . 1 . 2]" 1
1173 1 66 VAL HB 1 130 TYR QE . . 4.520 3.515 2.734 4.502 . 0 0 "[ . 1 . 2]" 1
1174 1 66 VAL MG1 1 67 GLN H . . 3.730 3.037 2.820 3.256 . 0 0 "[ . 1 . 2]" 1
1175 1 66 VAL MG1 1 67 GLN HA . . 4.870 3.546 3.400 3.722 . 0 0 "[ . 1 . 2]" 1
1176 1 66 VAL MG1 1 85 MET ME . . 3.200 2.632 2.035 3.201 0.001 18 0 "[ . 1 . 2]" 1
1177 1 66 VAL MG1 1 87 LEU HA . . 5.310 3.921 3.522 4.169 . 0 0 "[ . 1 . 2]" 1
1178 1 66 VAL MG1 1 87 LEU HG . . 4.260 4.001 3.728 4.234 . 0 0 "[ . 1 . 2]" 1
1179 1 66 VAL MG1 1 123 HIS HA . . 3.810 2.833 2.429 3.200 . 0 0 "[ . 1 . 2]" 1
1180 1 66 VAL MG1 1 123 HIS HB2 . . 4.420 3.601 3.097 4.269 . 0 0 "[ . 1 . 2]" 1
1181 1 66 VAL MG1 1 126 ALA MB . . 3.490 2.616 2.317 3.346 . 0 0 "[ . 1 . 2]" 1
1182 1 66 VAL MG2 1 67 GLN H . . 4.260 4.155 4.032 4.221 . 0 0 "[ . 1 . 2]" 1
1183 1 66 VAL MG2 1 126 ALA MB . . 3.480 3.163 2.583 3.484 0.004 7 0 "[ . 1 . 2]" 1
1184 1 66 VAL MG2 1 130 TYR QE . . 3.970 3.233 2.212 3.961 . 0 0 "[ . 1 . 2]" 1
1185 1 67 GLN H 1 67 GLN HB2 . . 3.960 3.872 3.836 3.898 . 0 0 "[ . 1 . 2]" 1
1186 1 67 GLN H 1 67 GLN HB3 . . 3.760 3.094 2.942 3.238 . 0 0 "[ . 1 . 2]" 1
1187 1 67 GLN H 1 67 GLN HG2 . . 4.810 2.481 2.213 3.803 . 0 0 "[ . 1 . 2]" 1
1188 1 67 GLN H 1 67 GLN QG . . 4.100 2.360 2.187 2.564 . 0 0 "[ . 1 . 2]" 1
1189 1 67 GLN H 1 67 GLN HG3 . . 4.810 3.402 2.340 3.704 . 0 0 "[ . 1 . 2]" 1
1190 1 67 GLN H 1 86 PHE H . . 4.030 3.809 3.603 3.970 . 0 0 "[ . 1 . 2]" 1
1191 1 67 GLN H 1 86 PHE QB . . 4.210 3.391 2.711 3.789 . 0 0 "[ . 1 . 2]" 1
1192 1 67 GLN H 1 87 LEU HA . . 4.230 3.316 3.046 3.854 . 0 0 "[ . 1 . 2]" 1
1193 1 67 GLN H 1 87 LEU MD2 . . 4.000 3.255 2.553 3.999 . 0 0 "[ . 1 . 2]" 1
1194 1 67 GLN H 1 87 LEU HG . . 5.070 4.566 4.117 5.062 . 0 0 "[ . 1 . 2]" 1
1195 1 67 GLN HA 1 68 ILE H . . 3.160 2.343 2.241 2.375 . 0 0 "[ . 1 . 2]" 1
1196 1 67 GLN HA 1 68 ILE HB . . 4.950 4.649 4.473 4.810 . 0 0 "[ . 1 . 2]" 1
1197 1 67 GLN HB2 1 68 ILE H . . 4.030 2.634 2.507 2.943 . 0 0 "[ . 1 . 2]" 1
1198 1 67 GLN HB2 1 68 ILE HA . . 5.170 4.822 4.689 5.065 . 0 0 "[ . 1 . 2]" 1
1199 1 67 GLN HB2 1 86 PHE QB . . 4.490 4.296 4.092 4.512 0.022 6 0 "[ . 1 . 2]" 1
1200 1 67 GLN HB2 1 86 PHE QD . . 5.500 5.252 4.848 5.481 . 0 0 "[ . 1 . 2]" 1
1201 1 67 GLN HB3 1 68 ILE H . . 4.410 3.949 3.819 4.154 . 0 0 "[ . 1 . 2]" 1
1202 1 67 GLN HB3 1 86 PHE QB . . 4.640 4.372 4.095 4.498 . 0 0 "[ . 1 . 2]" 1
1203 1 67 GLN HB3 1 86 PHE QD . . 5.130 4.632 4.251 4.960 . 0 0 "[ . 1 . 2]" 1
1204 1 67 GLN HE21 1 69 LEU MD2 . . 4.460 2.640 2.047 3.413 . 0 0 "[ . 1 . 2]" 1
1205 1 67 GLN HE22 1 69 LEU MD2 . . 4.460 3.703 1.888 4.341 . 0 0 "[ . 1 . 2]" 1
1206 1 67 GLN QG 1 68 ILE H . . 4.160 3.459 3.200 4.022 . 0 0 "[ . 1 . 2]" 1
1207 1 67 GLN QG 1 69 LEU MD2 . . 3.750 3.100 2.905 3.759 0.009 6 0 "[ . 1 . 2]" 1
1208 1 67 GLN QG 1 86 PHE QB . . 4.240 1.909 1.821 2.025 . 0 0 "[ . 1 . 2]" 1
1209 1 67 GLN QG 1 86 PHE QD . . 4.670 2.399 2.044 2.748 . 0 0 "[ . 1 . 2]" 1
1210 1 67 GLN HG2 1 68 ILE H . . 4.790 4.557 4.297 4.765 . 0 0 "[ . 1 . 2]" 1
1211 1 67 GLN HG2 1 69 LEU MD2 . . 4.420 4.249 4.066 4.429 0.009 6 0 "[ . 1 . 2]" 1
1212 1 67 GLN HG2 1 86 PHE QB . . 4.910 2.209 2.015 3.444 . 0 0 "[ . 1 . 2]" 1
1213 1 67 GLN HG3 1 68 ILE H . . 4.790 3.591 3.272 4.335 . 0 0 "[ . 1 . 2]" 1
1214 1 67 GLN HG3 1 69 LEU MD2 . . 4.420 3.192 2.964 4.064 . 0 0 "[ . 1 . 2]" 1
1215 1 67 GLN HG3 1 86 PHE QB . . 4.910 2.141 1.968 2.304 . 0 0 "[ . 1 . 2]" 1
1216 1 68 ILE H 1 68 ILE HB . . 3.440 2.520 2.421 2.621 . 0 0 "[ . 1 . 2]" 1
1217 1 68 ILE H 1 68 ILE MD . . 4.470 3.825 3.665 4.055 . 0 0 "[ . 1 . 2]" 1
1218 1 68 ILE H 1 68 ILE HG12 . . 4.520 3.885 3.473 4.129 . 0 0 "[ . 1 . 2]" 1
1219 1 68 ILE H 1 68 ILE QG . . 3.900 2.624 2.287 2.957 . 0 0 "[ . 1 . 2]" 1
1220 1 68 ILE H 1 68 ILE HG13 . . 4.520 2.669 2.320 3.031 . 0 0 "[ . 1 . 2]" 1
1221 1 68 ILE H 1 68 ILE MG . . 4.020 3.789 3.705 3.833 . 0 0 "[ . 1 . 2]" 1
1222 1 68 ILE H 1 69 LEU H . . 5.070 4.505 4.458 4.574 . 0 0 "[ . 1 . 2]" 1
1223 1 68 ILE H 1 86 PHE H . . 5.500 4.637 4.420 5.008 . 0 0 "[ . 1 . 2]" 1
1224 1 68 ILE HA 1 68 ILE MD . . 3.970 3.835 3.778 3.876 . 0 0 "[ . 1 . 2]" 1
1225 1 68 ILE HA 1 68 ILE QG . . 3.710 2.401 2.297 2.467 . 0 0 "[ . 1 . 2]" 1
1226 1 68 ILE HA 1 68 ILE MG . . 3.690 2.393 2.256 2.524 . 0 0 "[ . 1 . 2]" 1
1227 1 68 ILE HA 1 69 LEU H . . 3.450 2.197 2.166 2.243 . 0 0 "[ . 1 . 2]" 1
1228 1 68 ILE HA 1 69 LEU QB . . 4.690 4.428 4.365 4.551 . 0 0 "[ . 1 . 2]" 1
1229 1 68 ILE HA 1 69 LEU HG . . 4.800 3.774 3.494 3.939 . 0 0 "[ . 1 . 2]" 1
1230 1 68 ILE HA 1 85 MET HA . . 3.970 2.180 2.000 2.548 . 0 0 "[ . 1 . 2]" 1
1231 1 68 ILE HA 1 85 MET QB . . 4.590 3.718 3.443 4.288 . 0 0 "[ . 1 . 2]" 1
1232 1 68 ILE HA 1 85 MET ME . . 4.170 3.736 3.335 4.167 . 0 0 "[ . 1 . 2]" 1
1233 1 68 ILE HA 1 85 MET QG . . 4.930 3.282 2.511 4.134 . 0 0 "[ . 1 . 2]" 1
1234 1 68 ILE HA 1 86 PHE H . . 4.410 2.628 2.231 2.988 . 0 0 "[ . 1 . 2]" 1
1235 1 68 ILE HA 1 86 PHE QB . . 4.530 4.088 3.655 4.415 . 0 0 "[ . 1 . 2]" 1
1236 1 68 ILE HB 1 68 ILE MD . . 3.540 2.345 2.237 2.498 . 0 0 "[ . 1 . 2]" 1
1237 1 68 ILE HB 1 69 LEU H . . 4.850 4.052 3.935 4.202 . 0 0 "[ . 1 . 2]" 1
1238 1 68 ILE HB 1 123 HIS HB2 . . 4.890 4.793 4.549 4.892 0.002 11 0 "[ . 1 . 2]" 1
1239 1 68 ILE MD 1 69 LEU H . . 5.020 4.932 4.703 5.027 0.007 6 0 "[ . 1 . 2]" 1
1240 1 68 ILE MD 1 85 MET ME . . 3.570 3.021 2.262 3.570 0.000 6 0 "[ . 1 . 2]" 1
1241 1 68 ILE MD 1 119 LEU HA . . 4.520 4.165 3.708 4.516 . 0 0 "[ . 1 . 2]" 1
1242 1 68 ILE MD 1 119 LEU HB2 . . 4.220 3.982 3.653 4.225 0.005 2 0 "[ . 1 . 2]" 1
1243 1 68 ILE MD 1 119 LEU QB . . 3.610 3.096 2.631 3.337 . 0 0 "[ . 1 . 2]" 1
1244 1 68 ILE MD 1 119 LEU HB3 . . 4.220 3.238 2.679 3.568 . 0 0 "[ . 1 . 2]" 1
1245 1 68 ILE MD 1 120 VAL H . . 4.390 3.735 3.441 4.146 . 0 0 "[ . 1 . 2]" 1
1246 1 68 ILE MD 1 120 VAL HA . . 3.630 2.159 1.883 2.503 . 0 0 "[ . 1 . 2]" 1
1247 1 68 ILE MD 1 120 VAL HB . . 4.590 3.657 3.165 4.332 . 0 0 "[ . 1 . 2]" 1
1248 1 68 ILE MD 1 123 HIS H . . 4.860 3.275 2.884 3.636 . 0 0 "[ . 1 . 2]" 1
1249 1 68 ILE MD 1 123 HIS HA . . 4.390 4.244 4.079 4.390 0.000 7 0 "[ . 1 . 2]" 1
1250 1 68 ILE MD 1 123 HIS HB2 . . 3.820 2.190 1.969 2.612 . 0 0 "[ . 1 . 2]" 1
1251 1 68 ILE MD 1 123 HIS HB3 . . 3.940 2.197 1.946 2.845 . 0 0 "[ . 1 . 2]" 1
1252 1 68 ILE QG 1 69 LEU H . . 4.340 3.982 3.758 4.182 . 0 0 "[ . 1 . 2]" 1
1253 1 68 ILE QG 1 85 MET ME . . 3.430 2.302 1.891 2.806 . 0 0 "[ . 1 . 2]" 1
1254 1 68 ILE QG 1 85 MET QG . . 5.180 3.414 2.225 4.197 . 0 0 "[ . 1 . 2]" 1
1255 1 68 ILE QG 1 120 VAL HA . . 5.340 4.053 3.735 4.426 . 0 0 "[ . 1 . 2]" 1
1256 1 68 ILE QG 1 123 HIS H . . 4.550 4.084 3.733 4.371 . 0 0 "[ . 1 . 2]" 1
1257 1 68 ILE HG12 1 69 LEU H . . 5.140 4.213 3.930 4.441 . 0 0 "[ . 1 . 2]" 1
1258 1 68 ILE HG12 1 85 MET ME . . 4.080 2.412 1.941 3.141 . 0 0 "[ . 1 . 2]" 1
1259 1 68 ILE HG12 1 123 HIS H . . 5.430 4.510 3.949 5.150 . 0 0 "[ . 1 . 2]" 1
1260 1 68 ILE HG13 1 69 LEU H . . 5.140 4.908 4.749 5.105 . 0 0 "[ . 1 . 2]" 1
1261 1 68 ILE HG13 1 85 MET ME . . 4.080 3.016 2.312 3.814 . 0 0 "[ . 1 . 2]" 1
1262 1 68 ILE HG13 1 123 HIS H . . 5.430 4.691 4.285 5.148 . 0 0 "[ . 1 . 2]" 1
1263 1 68 ILE MG 1 69 LEU H . . 3.720 2.134 1.911 2.361 . 0 0 "[ . 1 . 2]" 1
1264 1 68 ILE MG 1 70 THR MG . . 3.450 2.410 1.900 2.951 . 0 0 "[ . 1 . 2]" 1
1265 1 68 ILE MG 1 82 ALA HA . . 4.500 3.132 2.568 3.498 . 0 0 "[ . 1 . 2]" 1
1266 1 68 ILE MG 1 82 ALA MB . . 3.200 2.101 1.749 2.881 . 0 0 "[ . 1 . 2]" 1
1267 1 68 ILE MG 1 84 GLY H . . 4.200 3.460 3.254 3.686 . 0 0 "[ . 1 . 2]" 1
1268 1 68 ILE MG 1 85 MET HA . . 4.130 2.889 2.423 3.289 . 0 0 "[ . 1 . 2]" 1
1269 1 68 ILE MG 1 86 PHE H . . 4.810 4.367 3.977 4.681 . 0 0 "[ . 1 . 2]" 1
1270 1 68 ILE MG 1 119 LEU QB . . 4.280 2.813 2.184 3.290 . 0 0 "[ . 1 . 2]" 1
1271 1 69 LEU H 1 69 LEU QB . . 3.820 2.432 2.356 2.576 . 0 0 "[ . 1 . 2]" 1
1272 1 69 LEU H 1 69 LEU MD1 . . 4.290 3.665 3.241 3.847 . 0 0 "[ . 1 . 2]" 1
1273 1 69 LEU H 1 69 LEU MD2 . . 4.230 3.600 3.463 3.850 . 0 0 "[ . 1 . 2]" 1
1274 1 69 LEU H 1 69 LEU HG . . 3.740 2.505 2.162 2.798 . 0 0 "[ . 1 . 2]" 1
1275 1 69 LEU H 1 84 GLY H . . 4.410 4.090 3.635 4.344 . 0 0 "[ . 1 . 2]" 1
1276 1 69 LEU H 1 85 MET H . . 5.290 3.832 3.465 4.149 . 0 0 "[ . 1 . 2]" 1
1277 1 69 LEU H 1 85 MET HA . . 4.220 2.018 1.906 2.225 . 0 0 "[ . 1 . 2]" 1
1278 1 69 LEU H 1 85 MET QB . . 5.010 3.933 3.736 4.253 . 0 0 "[ . 1 . 2]" 1
1279 1 69 LEU H 1 85 MET QG . . 5.340 4.341 3.770 4.900 . 0 0 "[ . 1 . 2]" 1
1280 1 69 LEU H 1 86 PHE H . . 4.770 3.391 3.078 3.708 . 0 0 "[ . 1 . 2]" 1
1281 1 69 LEU HA 1 69 LEU MD1 . . 4.430 3.897 3.838 3.988 . 0 0 "[ . 1 . 2]" 1
1282 1 69 LEU HA 1 69 LEU MD2 . . 3.330 2.188 1.994 2.442 . 0 0 "[ . 1 . 2]" 1
1283 1 69 LEU HA 1 70 THR H . . 3.370 2.161 2.139 2.238 . 0 0 "[ . 1 . 2]" 1
1284 1 69 LEU HA 1 70 THR MG . . 4.240 3.846 3.545 4.238 . 0 0 "[ . 1 . 2]" 1
1285 1 69 LEU QB 1 69 LEU MD1 . . 3.190 2.064 2.000 2.098 . 0 0 "[ . 1 . 2]" 1
1286 1 69 LEU QB 1 70 THR H . . 4.060 3.244 2.792 3.593 . 0 0 "[ . 1 . 2]" 1
1287 1 69 LEU QB 1 84 GLY H . . 3.960 3.450 2.539 3.953 . 0 0 "[ . 1 . 2]" 1
1288 1 69 LEU QB 1 84 GLY QA . . 5.190 2.463 1.974 3.378 . 0 0 "[ . 1 . 2]" 1
1289 1 69 LEU QB 1 85 MET H . . 4.540 3.276 2.634 3.986 . 0 0 "[ . 1 . 2]" 1
1290 1 69 LEU QB 1 101 LYS QG . . 4.290 4.187 4.018 4.297 0.007 6 0 "[ . 1 . 2]" 1
1291 1 69 LEU MD1 1 84 GLY HA2 . . 4.650 4.179 3.480 4.638 . 0 0 "[ . 1 . 2]" 1
1292 1 69 LEU MD1 1 84 GLY QA . . 4.020 2.903 2.400 3.248 . 0 0 "[ . 1 . 2]" 1
1293 1 69 LEU MD1 1 84 GLY HA3 . . 4.650 2.964 2.446 3.317 . 0 0 "[ . 1 . 2]" 1
1294 1 69 LEU MD1 1 85 MET H . . 3.860 2.706 2.082 3.385 . 0 0 "[ . 1 . 2]" 1
1295 1 69 LEU MD1 1 86 PHE HA . . 4.650 3.335 2.896 3.610 . 0 0 "[ . 1 . 2]" 1
1296 1 69 LEU MD1 1 86 PHE QB . . 3.770 2.590 2.067 3.126 . 0 0 "[ . 1 . 2]" 1
1297 1 69 LEU MD1 1 101 LYS HA . . 4.310 3.090 2.749 3.748 . 0 0 "[ . 1 . 2]" 1
1298 1 69 LEU MD1 1 101 LYS HD2 . . 4.010 3.252 1.776 4.005 . 0 0 "[ . 1 . 2]" 1
1299 1 69 LEU MD1 1 101 LYS QD . . 3.450 2.812 1.743 3.435 . 0 0 "[ . 1 . 2]" 1
1300 1 69 LEU MD1 1 101 LYS HD3 . . 4.010 3.415 2.028 3.992 . 0 0 "[ . 1 . 2]" 1
1301 1 69 LEU MD1 1 101 LYS HE2 . . 4.010 2.990 1.866 4.039 0.029 6 0 "[ . 1 . 2]" 1
1302 1 69 LEU MD1 1 101 LYS HE3 . . 4.010 2.975 1.936 4.011 0.001 5 0 "[ . 1 . 2]" 1
1303 1 69 LEU MD1 1 101 LYS QG . . 3.850 1.910 1.765 2.283 . 0 0 "[ . 1 . 2]" 1
1304 1 69 LEU MD1 1 102 LEU H . . 4.140 3.037 2.604 3.955 . 0 0 "[ . 1 . 2]" 1
1305 1 69 LEU MD2 1 70 THR H . . 4.130 3.621 3.243 3.978 . 0 0 "[ . 1 . 2]" 1
1306 1 69 LEU MD2 1 86 PHE H . . 4.500 4.105 3.685 4.475 . 0 0 "[ . 1 . 2]" 1
1307 1 69 LEU MD2 1 86 PHE QB . . 3.600 2.049 1.887 2.306 . 0 0 "[ . 1 . 2]" 1
1308 1 69 LEU MD2 1 86 PHE QD . . 4.300 2.976 2.572 3.355 . 0 0 "[ . 1 . 2]" 1
1309 1 69 LEU MD2 1 86 PHE QE . . 4.460 4.341 4.069 4.469 0.009 18 0 "[ . 1 . 2]" 1
1310 1 69 LEU HG 1 85 MET H . . 4.780 3.732 3.304 4.438 . 0 0 "[ . 1 . 2]" 1
1311 1 69 LEU HG 1 85 MET HA . . 4.130 3.033 2.622 3.299 . 0 0 "[ . 1 . 2]" 1
1312 1 69 LEU HG 1 86 PHE H . . 4.140 3.090 2.438 3.460 . 0 0 "[ . 1 . 2]" 1
1313 1 69 LEU HG 1 86 PHE QB . . 3.610 2.108 1.987 2.441 . 0 0 "[ . 1 . 2]" 1
1314 1 70 THR H 1 70 THR MG . . 4.140 2.946 2.369 3.453 . 0 0 "[ . 1 . 2]" 1
1315 1 70 THR HA 1 71 GLU H . . 3.550 2.208 2.142 2.469 . 0 0 "[ . 1 . 2]" 1
1316 1 70 THR HA 1 83 THR H . . 4.410 2.711 2.139 3.581 . 0 0 "[ . 1 . 2]" 1
1317 1 70 THR HB 1 71 GLU H . . 3.790 3.194 2.244 3.696 . 0 0 "[ . 1 . 2]" 1
1318 1 70 THR MG 1 82 ALA HA . . 3.630 2.354 1.861 3.266 . 0 0 "[ . 1 . 2]" 1
1319 1 70 THR MG 1 82 ALA MB . . 3.600 3.121 2.191 3.604 0.004 1 0 "[ . 1 . 2]" 1
1320 1 70 THR MG 1 83 THR H . . 4.430 3.304 2.461 4.245 . 0 0 "[ . 1 . 2]" 1
1321 1 71 GLU H 1 71 GLU HB2 . . 3.540 2.889 2.197 3.590 0.050 15 0 "[ . 1 . 2]" 1
1322 1 71 GLU H 1 71 GLU HB3 . . 3.540 2.735 2.272 3.533 . 0 0 "[ . 1 . 2]" 1
1323 1 71 GLU H 1 71 GLU QG . . 4.140 3.420 1.883 4.160 0.020 7 0 "[ . 1 . 2]" 1
1324 1 71 GLU H 1 83 THR MG . . 4.030 2.911 1.901 4.032 0.002 14 0 "[ . 1 . 2]" 1
1325 1 71 GLU HA 1 72 GLY QA . . 4.450 4.071 3.887 4.371 . 0 0 "[ . 1 . 2]" 1
1326 1 71 GLU HA 1 83 THR MG . . 5.080 4.455 2.585 5.083 0.003 17 0 "[ . 1 . 2]" 1
1327 1 71 GLU QB 1 72 GLY H . . 4.210 3.247 2.133 3.959 . 0 0 "[ . 1 . 2]" 1
1328 1 71 GLU QB 1 83 THR MG . . 3.670 2.722 2.016 3.596 . 0 0 "[ . 1 . 2]" 1
1329 1 71 GLU HB2 1 72 GLY H . . 4.780 3.942 2.265 4.567 . 0 0 "[ . 1 . 2]" 1
1330 1 71 GLU HB2 1 83 THR MG . . 4.480 3.453 2.174 4.468 . 0 0 "[ . 1 . 2]" 1
1331 1 71 GLU HB3 1 72 GLY H . . 4.780 3.623 2.148 4.623 . 0 0 "[ . 1 . 2]" 1
1332 1 71 GLU HB3 1 83 THR MG . . 4.480 3.147 2.027 4.484 0.004 14 0 "[ . 1 . 2]" 1
1333 1 71 GLU QG 1 72 GLY H . . 4.210 3.042 1.928 4.221 0.011 15 0 "[ . 1 . 2]" 1
1334 1 72 GLY H 1 73 PHE H . . 4.340 3.610 2.619 4.348 0.008 19 0 "[ . 1 . 2]" 1
1335 1 73 PHE H 1 73 PHE HB2 . . 4.120 2.772 2.151 3.811 . 0 0 "[ . 1 . 2]" 1
1336 1 73 PHE H 1 73 PHE QB . . 3.410 2.374 2.106 3.026 . 0 0 "[ . 1 . 2]" 1
1337 1 73 PHE H 1 73 PHE HB3 . . 4.120 3.109 2.182 3.835 . 0 0 "[ . 1 . 2]" 1
1338 1 73 PHE HA 1 73 PHE QD . . 4.180 2.922 2.099 3.689 . 0 0 "[ . 1 . 2]" 1
1339 1 74 PRO HA 1 75 PRO QD . . 3.480 2.036 1.860 2.197 . 0 0 "[ . 1 . 2]" 1
1340 1 74 PRO QB 1 75 PRO QD . . 3.850 2.472 1.933 3.304 . 0 0 "[ . 1 . 2]" 1
1341 1 79 ASN QB 1 80 ALA H . . 4.130 3.089 2.062 4.024 . 0 0 "[ . 1 . 2]" 1
1342 1 79 ASN HB2 1 80 ALA H . . 4.880 3.862 2.082 4.636 . 0 0 "[ . 1 . 2]" 1
1343 1 79 ASN HB3 1 80 ALA H . . 4.880 3.489 2.201 4.472 . 0 0 "[ . 1 . 2]" 1
1344 1 80 ALA H 1 80 ALA MB . . 3.510 2.401 2.121 2.871 . 0 0 "[ . 1 . 2]" 1
1345 1 80 ALA HA 1 81 ARG H . . 3.270 2.324 2.142 2.850 . 0 0 "[ . 1 . 2]" 1
1346 1 80 ALA MB 1 81 ARG H . . 3.910 3.255 2.662 3.713 . 0 0 "[ . 1 . 2]" 1
1347 1 81 ARG H 1 81 ARG HB2 . . 4.090 2.811 2.193 4.038 . 0 0 "[ . 1 . 2]" 1
1348 1 81 ARG H 1 81 ARG QB . . 3.590 2.514 2.172 3.229 . 0 0 "[ . 1 . 2]" 1
1349 1 81 ARG H 1 81 ARG HB3 . . 4.090 3.305 2.455 3.995 . 0 0 "[ . 1 . 2]" 1
1350 1 81 ARG H 1 81 ARG QD . . 4.840 3.748 2.016 4.781 . 0 0 "[ . 1 . 2]" 1
1351 1 81 ARG H 1 81 ARG QG . . 4.020 3.128 2.199 4.026 0.006 4 0 "[ . 1 . 2]" 1
1352 1 81 ARG H 1 82 ALA H . . 4.470 3.675 2.287 4.477 0.007 18 0 "[ . 1 . 2]" 1
1353 1 81 ARG HA 1 81 ARG QD . . 4.380 3.568 2.081 4.381 0.001 18 0 "[ . 1 . 2]" 1
1354 1 81 ARG QB 1 81 ARG QD . . 3.250 2.258 2.006 2.673 . 0 0 "[ . 1 . 2]" 1
1355 1 81 ARG HB2 1 81 ARG QD . . 3.770 2.595 2.065 3.313 . 0 0 "[ . 1 . 2]" 1
1356 1 81 ARG HB2 1 82 ALA H . . 4.590 3.621 2.127 4.569 . 0 0 "[ . 1 . 2]" 1
1357 1 81 ARG HB3 1 81 ARG QD . . 3.770 2.773 2.121 3.497 . 0 0 "[ . 1 . 2]" 1
1358 1 81 ARG HB3 1 82 ALA H . . 4.590 3.527 1.985 4.517 . 0 0 "[ . 1 . 2]" 1
1359 1 81 ARG QG 1 82 ALA H . . 4.720 3.907 2.676 4.648 . 0 0 "[ . 1 . 2]" 1
1360 1 82 ALA H 1 82 ALA MB . . 3.470 2.391 2.064 2.799 . 0 0 "[ . 1 . 2]" 1
1361 1 82 ALA H 1 83 THR H . . 5.140 4.235 3.879 4.550 . 0 0 "[ . 1 . 2]" 1
1362 1 82 ALA H 1 116 VAL MG1 . . 3.890 2.593 1.862 3.298 . 0 0 "[ . 1 . 2]" 1
1363 1 82 ALA H 1 116 VAL MG2 . . 4.420 3.559 2.371 4.319 . 0 0 "[ . 1 . 2]" 1
1364 1 82 ALA HA 1 84 GLY H . . 3.910 3.686 3.453 3.910 0.000 14 0 "[ . 1 . 2]" 1
1365 1 82 ALA MB 1 83 THR H . . 4.140 3.295 3.078 3.618 . 0 0 "[ . 1 . 2]" 1
1366 1 82 ALA MB 1 84 GLY H . . 3.990 3.271 2.675 3.800 . 0 0 "[ . 1 . 2]" 1
1367 1 82 ALA MB 1 116 VAL HA . . 4.500 3.212 2.634 3.867 . 0 0 "[ . 1 . 2]" 1
1368 1 82 ALA MB 1 116 VAL MG1 . . 3.230 2.502 1.903 3.195 . 0 0 "[ . 1 . 2]" 1
1369 1 82 ALA MB 1 119 LEU QB . . 4.390 2.477 2.013 2.902 . 0 0 "[ . 1 . 2]" 1
1370 1 82 ALA MB 1 119 LEU MD1 . . 3.550 2.111 1.792 2.520 . 0 0 "[ . 1 . 2]" 1
1371 1 82 ALA MB 1 120 VAL H . . 4.540 3.744 3.034 4.408 . 0 0 "[ . 1 . 2]" 1
1372 1 82 ALA MB 1 120 VAL HA . . 5.500 4.281 3.527 4.966 . 0 0 "[ . 1 . 2]" 1
1373 1 82 ALA MB 1 120 VAL HB . . 4.660 3.647 2.899 4.658 . 0 0 "[ . 1 . 2]" 1
1374 1 83 THR H 1 83 THR MG . . 4.370 2.685 1.966 3.892 . 0 0 "[ . 1 . 2]" 1
1375 1 83 THR H 1 84 GLY H . . 3.470 2.484 2.031 3.042 . 0 0 "[ . 1 . 2]" 1
1376 1 83 THR HA 1 104 VAL H . . 4.610 4.208 3.702 4.404 . 0 0 "[ . 1 . 2]" 1
1377 1 83 THR HA 1 104 VAL HB . . 4.450 4.199 3.352 4.451 0.001 17 0 "[ . 1 . 2]" 1
1378 1 83 THR HA 1 104 VAL MG2 . . 3.640 2.978 1.998 3.553 . 0 0 "[ . 1 . 2]" 1
1379 1 83 THR HA 1 119 LEU MD1 . . 4.850 3.669 2.835 4.666 . 0 0 "[ . 1 . 2]" 1
1380 1 83 THR HB 1 84 GLY H . . 4.670 4.051 2.662 4.646 . 0 0 "[ . 1 . 2]" 1
1381 1 83 THR MG 1 84 GLY H . . 4.670 3.749 1.963 4.318 . 0 0 "[ . 1 . 2]" 1
1382 1 84 GLY H 1 85 MET H . . 4.760 4.378 4.252 4.440 . 0 0 "[ . 1 . 2]" 1
1383 1 84 GLY H 1 103 THR HA . . 5.050 4.785 4.396 5.047 . 0 0 "[ . 1 . 2]" 1
1384 1 84 GLY H 1 119 LEU MD1 . . 4.080 2.934 1.895 4.068 . 0 0 "[ . 1 . 2]" 1
1385 1 84 GLY QA 1 103 THR MG . . 4.160 3.569 2.879 3.948 . 0 0 "[ . 1 . 2]" 1
1386 1 84 GLY QA 1 104 VAL H . . 3.970 3.660 3.249 3.961 . 0 0 "[ . 1 . 2]" 1
1387 1 84 GLY QA 1 119 LEU MD1 . . 3.860 2.944 2.368 3.449 . 0 0 "[ . 1 . 2]" 1
1388 1 84 GLY HA2 1 103 THR HA . . 4.340 2.500 2.240 2.842 . 0 0 "[ . 1 . 2]" 1
1389 1 84 GLY HA2 1 119 LEU MD1 . . 4.560 3.011 2.388 3.605 . 0 0 "[ . 1 . 2]" 1
1390 1 84 GLY HA3 1 103 THR HA . . 4.340 3.237 2.589 3.860 . 0 0 "[ . 1 . 2]" 1
1391 1 84 GLY HA3 1 119 LEU MD1 . . 4.560 4.204 3.634 4.561 0.001 11 0 "[ . 1 . 2]" 1
1392 1 85 MET H 1 85 MET HB2 . . 4.180 3.365 3.064 3.572 . 0 0 "[ . 1 . 2]" 1
1393 1 85 MET H 1 85 MET HB3 . . 4.180 2.842 2.518 3.074 . 0 0 "[ . 1 . 2]" 1
1394 1 85 MET H 1 102 LEU H . . 3.850 2.473 2.178 2.753 . 0 0 "[ . 1 . 2]" 1
1395 1 85 MET H 1 102 LEU QB . . 3.830 2.637 2.066 3.800 . 0 0 "[ . 1 . 2]" 1
1396 1 85 MET H 1 102 LEU HG . . 4.860 4.340 3.760 4.844 . 0 0 "[ . 1 . 2]" 1
1397 1 85 MET H 1 103 THR HA . . 4.490 4.190 3.813 4.362 . 0 0 "[ . 1 . 2]" 1
1398 1 85 MET H 1 119 LEU MD2 . . 4.060 3.717 3.291 4.051 . 0 0 "[ . 1 . 2]" 1
1399 1 85 MET HA 1 85 MET ME . . 4.400 4.038 3.650 4.328 . 0 0 "[ . 1 . 2]" 1
1400 1 85 MET HA 1 86 PHE H . . 3.290 2.267 2.156 2.345 . 0 0 "[ . 1 . 2]" 1
1401 1 85 MET HA 1 86 PHE QB . . 4.530 3.948 3.890 4.046 . 0 0 "[ . 1 . 2]" 1
1402 1 85 MET QB 1 102 LEU H . . 4.220 3.460 2.606 4.000 . 0 0 "[ . 1 . 2]" 1
1403 1 85 MET QB 1 102 LEU QB . . 3.740 2.042 1.928 2.229 . 0 0 "[ . 1 . 2]" 1
1404 1 85 MET QB 1 102 LEU MD1 . . 3.650 2.125 1.899 2.689 . 0 0 "[ . 1 . 2]" 1
1405 1 85 MET QB 1 102 LEU HG . . 4.650 3.163 2.434 3.939 . 0 0 "[ . 1 . 2]" 1
1406 1 85 MET QB 1 119 LEU MD2 . . 3.160 1.971 1.776 2.216 . 0 0 "[ . 1 . 2]" 1
1407 1 85 MET HB2 1 85 MET ME . . 4.180 3.200 2.383 3.865 . 0 0 "[ . 1 . 2]" 1
1408 1 85 MET HB2 1 86 PHE H . . 4.970 3.941 3.705 4.260 . 0 0 "[ . 1 . 2]" 1
1409 1 85 MET HB2 1 102 LEU HB2 . . 5.160 3.339 2.440 3.867 . 0 0 "[ . 1 . 2]" 1
1410 1 85 MET HB2 1 102 LEU HB3 . . 5.160 4.737 3.794 5.155 . 0 0 "[ . 1 . 2]" 1
1411 1 85 MET HB2 1 102 LEU MD1 . . 4.430 3.260 2.728 3.864 . 0 0 "[ . 1 . 2]" 1
1412 1 85 MET HB2 1 119 LEU MD2 . . 3.910 2.026 1.794 2.405 . 0 0 "[ . 1 . 2]" 1
1413 1 85 MET HB3 1 85 MET ME . . 4.180 3.970 3.542 4.196 0.016 5 0 "[ . 1 . 2]" 1
1414 1 85 MET HB3 1 86 PHE H . . 4.970 3.926 3.534 4.243 . 0 0 "[ . 1 . 2]" 1
1415 1 85 MET HB3 1 102 LEU HB2 . . 5.160 2.081 2.004 2.279 . 0 0 "[ . 1 . 2]" 1
1416 1 85 MET HB3 1 102 LEU HB3 . . 5.160 3.602 3.387 3.832 . 0 0 "[ . 1 . 2]" 1
1417 1 85 MET HB3 1 102 LEU MD1 . . 4.430 2.157 1.938 2.777 . 0 0 "[ . 1 . 2]" 1
1418 1 85 MET HB3 1 119 LEU MD2 . . 3.910 2.837 2.326 3.300 . 0 0 "[ . 1 . 2]" 1
1419 1 85 MET ME 1 85 MET QG . . 3.170 2.113 1.968 2.249 . 0 0 "[ . 1 . 2]" 1
1420 1 85 MET ME 1 86 PHE H . . 4.480 4.028 3.776 4.364 . 0 0 "[ . 1 . 2]" 1
1421 1 85 MET ME 1 87 LEU MD2 . . 3.610 2.420 1.855 3.298 . 0 0 "[ . 1 . 2]" 1
1422 1 85 MET ME 1 102 LEU MD1 . . 4.300 3.959 3.308 4.279 . 0 0 "[ . 1 . 2]" 1
1423 1 85 MET ME 1 118 TRP HZ3 . . 4.300 3.135 2.679 3.704 . 0 0 "[ . 1 . 2]" 1
1424 1 85 MET ME 1 119 LEU HA . . 3.640 3.086 2.511 3.592 . 0 0 "[ . 1 . 2]" 1
1425 1 85 MET ME 1 122 MET HB2 . . 3.590 3.376 3.088 3.577 . 0 0 "[ . 1 . 2]" 1
1426 1 85 MET ME 1 122 MET QB . . 2.930 2.091 1.926 2.338 . 0 0 "[ . 1 . 2]" 1
1427 1 85 MET ME 1 122 MET HB3 . . 3.590 2.112 1.946 2.373 . 0 0 "[ . 1 . 2]" 1
1428 1 85 MET ME 1 122 MET QG . . 3.760 2.425 1.904 3.222 . 0 0 "[ . 1 . 2]" 1
1429 1 85 MET ME 1 123 HIS H . . 3.690 2.738 2.482 3.218 . 0 0 "[ . 1 . 2]" 1
1430 1 85 MET ME 1 123 HIS HA . . 3.790 3.390 3.047 3.757 . 0 0 "[ . 1 . 2]" 1
1431 1 85 MET ME 1 123 HIS HB2 . . 3.710 2.676 2.358 3.278 . 0 0 "[ . 1 . 2]" 1
1432 1 85 MET ME 1 123 HIS HB3 . . 4.030 3.869 3.687 4.032 0.002 18 0 "[ . 1 . 2]" 1
1433 1 85 MET QG 1 87 LEU MD1 . . 3.690 2.728 2.445 3.029 . 0 0 "[ . 1 . 2]" 1
1434 1 85 MET QG 1 87 LEU MD2 . . 3.620 2.706 2.265 3.072 . 0 0 "[ . 1 . 2]" 1
1435 1 85 MET QG 1 87 LEU HG . . 3.820 2.235 1.988 2.640 . 0 0 "[ . 1 . 2]" 1
1436 1 85 MET QG 1 102 LEU H . . 5.340 4.485 3.795 4.786 . 0 0 "[ . 1 . 2]" 1
1437 1 85 MET QG 1 102 LEU QB . . 4.760 3.716 3.277 4.162 . 0 0 "[ . 1 . 2]" 1
1438 1 85 MET QG 1 102 LEU MD1 . . 4.090 2.561 2.147 3.136 . 0 0 "[ . 1 . 2]" 1
1439 1 85 MET QG 1 102 LEU HG . . 5.230 3.854 3.286 4.292 . 0 0 "[ . 1 . 2]" 1
1440 1 85 MET HG2 1 86 PHE H . . 4.000 3.307 2.397 3.986 . 0 0 "[ . 1 . 2]" 1
1441 1 85 MET HG2 1 87 LEU MD1 . . 4.240 2.860 2.530 3.108 . 0 0 "[ . 1 . 2]" 1
1442 1 85 MET HG2 1 87 LEU MD2 . . 4.170 3.027 2.474 3.393 . 0 0 "[ . 1 . 2]" 1
1443 1 85 MET HG2 1 87 LEU HG . . 4.550 2.662 2.010 3.427 . 0 0 "[ . 1 . 2]" 1
1444 1 85 MET HG3 1 86 PHE H . . 4.000 2.363 1.950 2.811 . 0 0 "[ . 1 . 2]" 1
1445 1 85 MET HG3 1 87 LEU MD1 . . 4.240 3.651 2.795 4.214 . 0 0 "[ . 1 . 2]" 1
1446 1 85 MET HG3 1 87 LEU MD2 . . 4.170 3.097 2.423 3.609 . 0 0 "[ . 1 . 2]" 1
1447 1 85 MET HG3 1 87 LEU HG . . 4.550 2.949 2.108 3.709 . 0 0 "[ . 1 . 2]" 1
1448 1 86 PHE H 1 86 PHE QB . . 3.450 2.586 2.435 2.683 . 0 0 "[ . 1 . 2]" 1
1449 1 86 PHE H 1 87 LEU H . . 4.850 4.213 3.924 4.414 . 0 0 "[ . 1 . 2]" 1
1450 1 86 PHE HA 1 86 PHE QD . . 4.070 2.679 2.031 3.147 . 0 0 "[ . 1 . 2]" 1
1451 1 86 PHE HA 1 87 LEU H . . 3.110 2.159 2.140 2.245 . 0 0 "[ . 1 . 2]" 1
1452 1 86 PHE HA 1 87 LEU HG . . 4.710 3.714 3.396 4.009 . 0 0 "[ . 1 . 2]" 1
1453 1 86 PHE HA 1 101 LYS HA . . 3.850 2.978 2.858 3.151 . 0 0 "[ . 1 . 2]" 1
1454 1 86 PHE HA 1 101 LYS QG . . 4.720 3.993 3.315 4.569 . 0 0 "[ . 1 . 2]" 1
1455 1 86 PHE HA 1 102 LEU H . . 4.490 3.992 3.525 4.297 . 0 0 "[ . 1 . 2]" 1
1456 1 86 PHE QB 1 87 LEU H . . 4.040 3.779 3.481 3.962 . 0 0 "[ . 1 . 2]" 1
1457 1 86 PHE QB 1 101 LYS HA . . 5.100 4.356 4.020 4.660 . 0 0 "[ . 1 . 2]" 1
1458 1 86 PHE QD 1 87 LEU H . . 4.410 3.643 3.118 4.082 . 0 0 "[ . 1 . 2]" 1
1459 1 86 PHE QD 1 88 GLN HG2 . . 5.280 4.434 4.099 5.066 . 0 0 "[ . 1 . 2]" 1
1460 1 86 PHE QD 1 99 GLN HB2 . . 5.500 4.356 3.860 5.482 . 0 0 "[ . 1 . 2]" 1
1461 1 86 PHE QD 1 99 GLN HB3 . . 5.500 5.054 4.005 5.501 0.001 15 0 "[ . 1 . 2]" 1
1462 1 86 PHE QD 1 101 LYS QB . . 4.360 3.641 3.010 4.184 . 0 0 "[ . 1 . 2]" 1
1463 1 86 PHE QD 1 101 LYS QG . . 4.010 2.975 2.160 4.007 . 0 0 "[ . 1 . 2]" 1
1464 1 86 PHE QE 1 88 GLN HG2 . . 4.600 3.107 2.451 3.987 . 0 0 "[ . 1 . 2]" 1
1465 1 86 PHE QE 1 88 GLN HG3 . . 4.540 2.644 2.009 3.690 . 0 0 "[ . 1 . 2]" 1
1466 1 86 PHE QE 1 99 GLN HB2 . . 4.380 3.082 2.479 4.122 . 0 0 "[ . 1 . 2]" 1
1467 1 86 PHE QE 1 99 GLN QB . . 3.760 2.822 2.430 3.374 . 0 0 "[ . 1 . 2]" 1
1468 1 86 PHE QE 1 99 GLN HB3 . . 4.380 3.524 2.496 4.166 . 0 0 "[ . 1 . 2]" 1
1469 1 86 PHE QE 1 99 GLN HG2 . . 4.730 3.728 2.968 4.621 . 0 0 "[ . 1 . 2]" 1
1470 1 86 PHE QE 1 99 GLN QG . . 4.070 2.905 2.374 3.316 . 0 0 "[ . 1 . 2]" 1
1471 1 86 PHE QE 1 99 GLN HG3 . . 4.730 3.344 2.415 4.721 . 0 0 "[ . 1 . 2]" 1
1472 1 86 PHE QE 1 101 LYS QG . . 5.370 4.292 3.253 5.043 . 0 0 "[ . 1 . 2]" 1
1473 1 87 LEU H 1 87 LEU QB . . 3.540 2.714 2.530 2.896 . 0 0 "[ . 1 . 2]" 1
1474 1 87 LEU H 1 87 LEU MD1 . . 4.130 3.765 3.489 4.036 . 0 0 "[ . 1 . 2]" 1
1475 1 87 LEU H 1 87 LEU MD2 . . 4.440 3.973 3.706 4.221 . 0 0 "[ . 1 . 2]" 1
1476 1 87 LEU H 1 87 LEU HG . . 4.320 2.839 2.558 3.221 . 0 0 "[ . 1 . 2]" 1
1477 1 87 LEU H 1 88 GLN H . . 4.910 4.407 4.139 4.545 . 0 0 "[ . 1 . 2]" 1
1478 1 87 LEU H 1 88 GLN HG3 . . 5.450 4.796 4.284 5.216 . 0 0 "[ . 1 . 2]" 1
1479 1 87 LEU H 1 100 LEU QB . . 4.640 3.188 2.665 3.840 . 0 0 "[ . 1 . 2]" 1
1480 1 87 LEU H 1 101 LYS HA . . 4.190 4.098 3.802 4.202 0.012 8 0 "[ . 1 . 2]" 1
1481 1 87 LEU HA 1 87 LEU MD1 . . 4.400 3.966 3.935 4.030 . 0 0 "[ . 1 . 2]" 1
1482 1 87 LEU HA 1 87 LEU MD2 . . 3.800 2.401 2.151 2.645 . 0 0 "[ . 1 . 2]" 1
1483 1 87 LEU HA 1 87 LEU HG . . 4.230 3.036 2.867 3.190 . 0 0 "[ . 1 . 2]" 1
1484 1 87 LEU HA 1 88 GLN H . . 3.120 2.271 2.140 2.458 . 0 0 "[ . 1 . 2]" 1
1485 1 87 LEU HA 1 88 GLN HG3 . . 5.150 3.962 3.670 4.396 . 0 0 "[ . 1 . 2]" 1
1486 1 87 LEU QB 1 87 LEU MD2 . . 3.220 2.144 2.023 2.261 . 0 0 "[ . 1 . 2]" 1
1487 1 87 LEU QB 1 88 GLN H . . 3.780 2.750 2.324 3.294 . 0 0 "[ . 1 . 2]" 1
1488 1 87 LEU QB 1 100 LEU H . . 4.190 3.614 2.970 4.046 . 0 0 "[ . 1 . 2]" 1
1489 1 87 LEU HB2 1 87 LEU MD1 . . 3.540 2.110 1.992 2.229 . 0 0 "[ . 1 . 2]" 1
1490 1 87 LEU HB2 1 88 GLN H . . 4.360 3.767 3.270 4.179 . 0 0 "[ . 1 . 2]" 1
1491 1 87 LEU HB3 1 87 LEU MD1 . . 3.540 2.587 2.470 2.687 . 0 0 "[ . 1 . 2]" 1
1492 1 87 LEU HB3 1 88 GLN H . . 4.360 2.831 2.368 3.461 . 0 0 "[ . 1 . 2]" 1
1493 1 87 LEU MD1 1 88 GLN H . . 5.500 4.905 4.489 5.350 . 0 0 "[ . 1 . 2]" 1
1494 1 87 LEU MD1 1 100 LEU QB . . 4.260 3.003 2.323 3.688 . 0 0 "[ . 1 . 2]" 1
1495 1 87 LEU MD1 1 100 LEU MD2 . . 3.300 2.585 1.961 3.252 . 0 0 "[ . 1 . 2]" 1
1496 1 87 LEU MD1 1 102 LEU MD1 . . 3.440 2.429 2.093 2.775 . 0 0 "[ . 1 . 2]" 1
1497 1 87 LEU MD1 1 102 LEU HG . . 4.600 3.658 2.973 4.055 . 0 0 "[ . 1 . 2]" 1
1498 1 87 LEU MD1 1 118 TRP HH2 . . 4.310 3.729 3.291 4.152 . 0 0 "[ . 1 . 2]" 1
1499 1 87 LEU MD2 1 88 GLN H . . 4.510 3.702 3.406 4.054 . 0 0 "[ . 1 . 2]" 1
1500 1 87 LEU HG 1 102 LEU MD1 . . 4.100 3.677 3.353 4.042 . 0 0 "[ . 1 . 2]" 1
1501 1 87 LEU HG 1 102 LEU HG . . 4.980 4.620 4.051 4.932 . 0 0 "[ . 1 . 2]" 1
1502 1 88 GLN H 1 88 GLN HB2 . . 3.740 2.588 2.344 2.795 . 0 0 "[ . 1 . 2]" 1
1503 1 88 GLN H 1 88 GLN HB3 . . 3.960 3.740 3.593 3.859 . 0 0 "[ . 1 . 2]" 1
1504 1 88 GLN H 1 88 GLN HG2 . . 4.470 4.027 3.746 4.267 . 0 0 "[ . 1 . 2]" 1
1505 1 88 GLN H 1 88 GLN HG3 . . 4.170 3.263 2.947 3.730 . 0 0 "[ . 1 . 2]" 1
1506 1 88 GLN H 1 89 TYR H . . 4.730 4.390 4.233 4.554 . 0 0 "[ . 1 . 2]" 1
1507 1 88 GLN HA 1 88 GLN HG2 . . 3.930 2.384 2.222 2.657 . 0 0 "[ . 1 . 2]" 1
1508 1 88 GLN HA 1 88 GLN HG3 . . 4.230 3.139 2.896 3.297 . 0 0 "[ . 1 . 2]" 1
1509 1 88 GLN HA 1 89 TYR H . . 3.110 2.200 2.153 2.317 . 0 0 "[ . 1 . 2]" 1
1510 1 88 GLN HA 1 89 TYR QD . . 4.650 3.863 3.585 4.274 . 0 0 "[ . 1 . 2]" 1
1511 1 88 GLN HA 1 97 VAL MG1 . . 4.000 3.636 3.442 3.985 . 0 0 "[ . 1 . 2]" 1
1512 1 88 GLN HA 1 98 THR H . . 5.220 5.070 4.736 5.229 0.009 6 0 "[ . 1 . 2]" 1
1513 1 88 GLN HA 1 99 GLN HA . . 3.820 2.366 2.026 2.784 . 0 0 "[ . 1 . 2]" 1
1514 1 88 GLN HA 1 99 GLN QB . . 4.140 3.633 2.977 4.142 0.002 6 0 "[ . 1 . 2]" 1
1515 1 88 GLN HA 1 100 LEU H . . 3.980 3.650 3.355 3.864 . 0 0 "[ . 1 . 2]" 1
1516 1 88 GLN HB2 1 88 GLN HE21 . . 4.690 3.465 2.295 4.185 . 0 0 "[ . 1 . 2]" 1
1517 1 88 GLN HB2 1 88 GLN QE . . 4.030 3.301 2.279 3.890 . 0 0 "[ . 1 . 2]" 1
1518 1 88 GLN HB2 1 88 GLN HE22 . . 4.690 4.274 3.870 4.648 . 0 0 "[ . 1 . 2]" 1
1519 1 88 GLN HB2 1 89 TYR H . . 4.320 4.136 3.896 4.288 . 0 0 "[ . 1 . 2]" 1
1520 1 88 GLN HB2 1 97 VAL MG1 . . 4.270 3.984 3.357 4.273 0.003 3 0 "[ . 1 . 2]" 1
1521 1 88 GLN HB3 1 88 GLN QE . . 4.340 2.536 2.022 3.218 . 0 0 "[ . 1 . 2]" 1
1522 1 88 GLN HB3 1 89 TYR H . . 3.910 3.055 2.648 3.291 . 0 0 "[ . 1 . 2]" 1
1523 1 88 GLN HB3 1 90 THR MG . . 5.500 4.963 4.723 5.241 . 0 0 "[ . 1 . 2]" 1
1524 1 88 GLN HB3 1 97 VAL MG1 . . 3.870 2.568 1.987 2.842 . 0 0 "[ . 1 . 2]" 1
1525 1 88 GLN QE 1 88 GLN HG2 . . 3.470 2.553 2.141 3.350 . 0 0 "[ . 1 . 2]" 1
1526 1 88 GLN QE 1 97 VAL MG1 . . 3.820 2.500 1.848 3.763 . 0 0 "[ . 1 . 2]" 1
1527 1 88 GLN HE21 1 97 VAL MG1 . . 4.530 2.656 1.868 4.532 0.002 15 0 "[ . 1 . 2]" 1
1528 1 88 GLN HE22 1 97 VAL MG1 . . 4.530 3.438 2.745 4.021 . 0 0 "[ . 1 . 2]" 1
1529 1 88 GLN HG2 1 89 TYR H . . 4.250 4.075 3.713 4.232 . 0 0 "[ . 1 . 2]" 1
1530 1 88 GLN HG2 1 97 VAL MG1 . . 4.000 3.568 3.234 3.853 . 0 0 "[ . 1 . 2]" 1
1531 1 88 GLN HG2 1 99 GLN HA . . 4.710 2.908 2.086 3.556 . 0 0 "[ . 1 . 2]" 1
1532 1 88 GLN HG2 1 100 LEU H . . 5.500 4.244 3.469 4.952 . 0 0 "[ . 1 . 2]" 1
1533 1 88 GLN HG3 1 89 TYR H . . 5.200 5.055 4.789 5.205 0.005 11 0 "[ . 1 . 2]" 1
1534 1 88 GLN HG3 1 97 VAL MG1 . . 4.760 4.626 4.315 4.760 0.000 7 0 "[ . 1 . 2]" 1
1535 1 88 GLN HG3 1 99 GLN HA . . 5.500 4.210 3.528 4.560 . 0 0 "[ . 1 . 2]" 1
1536 1 88 GLN HG3 1 100 LEU H . . 5.500 4.855 4.207 5.340 . 0 0 "[ . 1 . 2]" 1
1537 1 89 TYR H 1 89 TYR QD . . 3.690 3.300 3.192 3.497 . 0 0 "[ . 1 . 2]" 1
1538 1 89 TYR H 1 89 TYR QE . . 4.840 4.437 4.285 4.655 . 0 0 "[ . 1 . 2]" 1
1539 1 89 TYR H 1 90 THR H . . 5.070 4.353 4.285 4.423 . 0 0 "[ . 1 . 2]" 1
1540 1 89 TYR H 1 90 THR HA . . 5.130 4.658 4.579 4.751 . 0 0 "[ . 1 . 2]" 1
1541 1 89 TYR H 1 97 VAL HA . . 5.300 5.039 4.783 5.259 . 0 0 "[ . 1 . 2]" 1
1542 1 89 TYR H 1 97 VAL MG1 . . 3.680 2.810 2.544 3.208 . 0 0 "[ . 1 . 2]" 1
1543 1 89 TYR H 1 98 THR HB . . 4.560 4.031 3.598 4.303 . 0 0 "[ . 1 . 2]" 1
1544 1 89 TYR H 1 99 GLN HA . . 4.130 3.520 3.124 3.887 . 0 0 "[ . 1 . 2]" 1
1545 1 89 TYR HA 1 89 TYR QD . . 4.470 3.725 3.684 3.737 . 0 0 "[ . 1 . 2]" 1
1546 1 89 TYR HA 1 90 THR H . . 3.340 2.342 2.215 2.529 . 0 0 "[ . 1 . 2]" 1
1547 1 89 TYR QB 1 90 THR H . . 3.450 2.551 2.132 2.883 . 0 0 "[ . 1 . 2]" 1
1548 1 89 TYR QD 1 90 THR H . . 3.980 3.620 3.126 3.937 . 0 0 "[ . 1 . 2]" 1
1549 1 89 TYR QD 1 91 VAL HA . . 5.200 4.373 3.998 4.788 . 0 0 "[ . 1 . 2]" 1
1550 1 89 TYR QD 1 91 VAL MG2 . . 3.700 2.701 2.252 3.125 . 0 0 "[ . 1 . 2]" 1
1551 1 89 TYR QD 1 98 THR HB . . 4.720 3.152 2.803 3.577 . 0 0 "[ . 1 . 2]" 1
1552 1 89 TYR QD 1 98 THR MG . . 4.310 4.081 3.772 4.285 . 0 0 "[ . 1 . 2]" 1
1553 1 89 TYR QD 1 100 LEU MD1 . . 5.360 4.827 4.332 5.298 . 0 0 "[ . 1 . 2]" 1
1554 1 89 TYR QE 1 91 VAL MG2 . . 3.410 2.776 2.096 3.218 . 0 0 "[ . 1 . 2]" 1
1555 1 89 TYR QE 1 98 THR HB . . 4.230 2.566 2.098 2.929 . 0 0 "[ . 1 . 2]" 1
1556 1 89 TYR QE 1 98 THR MG . . 3.740 2.690 2.264 3.025 . 0 0 "[ . 1 . 2]" 1
1557 1 89 TYR QE 1 100 LEU H . . 5.470 4.206 3.495 4.729 . 0 0 "[ . 1 . 2]" 1
1558 1 89 TYR QE 1 100 LEU HB2 . . 4.460 2.141 2.012 2.380 . 0 0 "[ . 1 . 2]" 1
1559 1 89 TYR QE 1 100 LEU QB . . 3.860 2.112 1.994 2.322 . 0 0 "[ . 1 . 2]" 1
1560 1 89 TYR QE 1 100 LEU HB3 . . 4.460 3.289 2.825 3.695 . 0 0 "[ . 1 . 2]" 1
1561 1 89 TYR QE 1 100 LEU MD1 . . 3.830 2.888 2.280 3.392 . 0 0 "[ . 1 . 2]" 1
1562 1 89 TYR QE 1 100 LEU MD2 . . 4.390 2.946 2.368 3.544 . 0 0 "[ . 1 . 2]" 1
1563 1 89 TYR QE 1 100 LEU HG . . 4.910 4.677 4.398 4.882 . 0 0 "[ . 1 . 2]" 1
1564 1 90 THR H 1 90 THR HB . . 3.990 3.713 3.634 3.790 . 0 0 "[ . 1 . 2]" 1
1565 1 90 THR H 1 90 THR MG . . 3.860 2.779 2.514 3.087 . 0 0 "[ . 1 . 2]" 1
1566 1 90 THR H 1 91 VAL H . . 4.750 4.496 4.393 4.554 . 0 0 "[ . 1 . 2]" 1
1567 1 90 THR HA 1 90 THR MG . . 3.130 2.311 2.162 2.409 . 0 0 "[ . 1 . 2]" 1
1568 1 90 THR HA 1 91 VAL H . . 2.890 2.224 2.160 2.379 . 0 0 "[ . 1 . 2]" 1
1569 1 90 THR HA 1 91 VAL HB . . 4.920 4.603 4.489 4.804 . 0 0 "[ . 1 . 2]" 1
1570 1 90 THR HA 1 91 VAL MG2 . . 4.270 3.568 3.263 3.819 . 0 0 "[ . 1 . 2]" 1
1571 1 90 THR HA 1 97 VAL HA . . 4.160 2.888 2.564 3.196 . 0 0 "[ . 1 . 2]" 1
1572 1 90 THR HA 1 98 THR H . . 4.370 3.059 2.758 3.360 . 0 0 "[ . 1 . 2]" 1
1573 1 90 THR HB 1 91 VAL H . . 3.220 2.920 2.450 3.197 . 0 0 "[ . 1 . 2]" 1
1574 1 90 THR HB 1 91 VAL HA . . 4.900 4.642 4.452 4.826 . 0 0 "[ . 1 . 2]" 1
1575 1 90 THR HB 1 97 VAL HA . . 4.550 4.322 3.858 4.549 . 0 0 "[ . 1 . 2]" 1
1576 1 90 THR HB 1 97 VAL MG2 . . 4.660 4.147 3.773 4.551 . 0 0 "[ . 1 . 2]" 1
1577 1 90 THR MG 1 91 VAL H . . 3.890 3.800 3.528 3.891 0.001 11 0 "[ . 1 . 2]" 1
1578 1 90 THR MG 1 97 VAL HA . . 3.480 2.751 2.200 3.115 . 0 0 "[ . 1 . 2]" 1
1579 1 90 THR MG 1 97 VAL MG1 . . 3.430 2.526 2.072 2.831 . 0 0 "[ . 1 . 2]" 1
1580 1 90 THR MG 1 97 VAL MG2 . . 3.580 2.072 1.761 2.353 . 0 0 "[ . 1 . 2]" 1
1581 1 90 THR MG 1 98 THR H . . 4.340 3.808 3.128 4.168 . 0 0 "[ . 1 . 2]" 1
1582 1 91 VAL H 1 91 VAL HB . . 3.280 2.551 2.421 2.711 . 0 0 "[ . 1 . 2]" 1
1583 1 91 VAL H 1 91 VAL MG1 . . 4.280 3.803 3.749 3.872 . 0 0 "[ . 1 . 2]" 1
1584 1 91 VAL H 1 91 VAL MG2 . . 3.340 2.622 2.123 2.883 . 0 0 "[ . 1 . 2]" 1
1585 1 91 VAL H 1 94 THR MG . . 4.590 3.249 2.198 4.598 0.008 3 0 "[ . 1 . 2]" 1
1586 1 91 VAL H 1 97 VAL HA . . 4.300 4.093 3.561 4.295 . 0 0 "[ . 1 . 2]" 1
1587 1 91 VAL HA 1 91 VAL MG1 . . 3.440 2.445 2.331 2.494 . 0 0 "[ . 1 . 2]" 1
1588 1 91 VAL HA 1 91 VAL MG2 . . 3.310 2.355 2.222 2.556 . 0 0 "[ . 1 . 2]" 1
1589 1 91 VAL HA 1 92 PRO HB3 . . 4.880 4.839 4.830 4.855 . 0 0 "[ . 1 . 2]" 1
1590 1 91 VAL HA 1 92 PRO HD2 . . 3.500 2.118 2.034 2.184 . 0 0 "[ . 1 . 2]" 1
1591 1 91 VAL HA 1 92 PRO HD3 . . 3.430 2.261 2.252 2.283 . 0 0 "[ . 1 . 2]" 1
1592 1 91 VAL HA 1 92 PRO HG2 . . 4.560 4.287 4.222 4.339 . 0 0 "[ . 1 . 2]" 1
1593 1 91 VAL HA 1 92 PRO HG3 . . 4.560 4.340 4.318 4.362 . 0 0 "[ . 1 . 2]" 1
1594 1 91 VAL HB 1 92 PRO HD2 . . 4.370 4.048 3.898 4.208 . 0 0 "[ . 1 . 2]" 1
1595 1 91 VAL HB 1 92 PRO HD3 . . 5.100 4.935 4.848 5.020 . 0 0 "[ . 1 . 2]" 1
1596 1 91 VAL HB 1 94 THR H . . 4.290 3.797 3.072 4.291 0.001 19 0 "[ . 1 . 2]" 1
1597 1 91 VAL HB 1 94 THR HB . . 3.750 2.818 1.990 3.727 . 0 0 "[ . 1 . 2]" 1
1598 1 91 VAL HB 1 94 THR MG . . 3.590 2.350 1.782 3.316 . 0 0 "[ . 1 . 2]" 1
1599 1 91 VAL MG1 1 92 PRO HD2 . . 3.650 1.902 1.810 2.155 . 0 0 "[ . 1 . 2]" 1
1600 1 91 VAL MG1 1 92 PRO HD3 . . 3.930 3.253 3.141 3.435 . 0 0 "[ . 1 . 2]" 1
1601 1 91 VAL MG1 1 92 PRO QG . . 4.590 2.967 2.839 3.154 . 0 0 "[ . 1 . 2]" 1
1602 1 91 VAL MG1 1 94 THR H . . 4.270 3.330 2.092 4.102 . 0 0 "[ . 1 . 2]" 1
1603 1 91 VAL MG1 1 94 THR HB . . 4.110 2.966 2.152 3.791 . 0 0 "[ . 1 . 2]" 1
1604 1 91 VAL MG1 1 94 THR MG . . 3.600 3.182 2.422 3.610 0.010 7 0 "[ . 1 . 2]" 1
1605 1 91 VAL MG2 1 92 PRO HD2 . . 3.730 3.394 3.237 3.732 0.002 9 0 "[ . 1 . 2]" 1
1606 1 91 VAL MG2 1 92 PRO HD3 . . 4.390 4.135 4.025 4.405 0.015 9 0 "[ . 1 . 2]" 1
1607 1 91 VAL MG2 1 98 THR HB . . 4.770 3.203 2.611 3.544 . 0 0 "[ . 1 . 2]" 1
1608 1 92 PRO HA 1 93 GLY QA . . 4.380 3.994 3.897 4.421 0.041 7 0 "[ . 1 . 2]" 1
1609 1 92 PRO HA 1 94 THR H . . 4.380 3.950 3.690 4.213 . 0 0 "[ . 1 . 2]" 1
1610 1 93 GLY H 1 94 THR H . . 3.770 2.519 1.801 3.210 . 0 0 "[ . 1 . 2]" 1
1611 1 94 THR H 1 94 THR HB . . 3.300 2.751 2.387 3.141 . 0 0 "[ . 1 . 2]" 1
1612 1 94 THR H 1 94 THR MG . . 3.930 2.810 2.086 3.950 0.020 6 0 "[ . 1 . 2]" 1
1613 1 94 THR H 1 95 GLU H . . 4.680 4.482 4.311 4.593 . 0 0 "[ . 1 . 2]" 1
1614 1 94 THR HA 1 94 THR MG . . 3.290 2.956 2.385 3.205 . 0 0 "[ . 1 . 2]" 1
1615 1 94 THR HA 1 95 GLU H . . 3.010 2.400 2.187 2.593 . 0 0 "[ . 1 . 2]" 1
1616 1 94 THR HB 1 95 GLU H . . 4.100 3.879 3.699 4.101 0.001 10 0 "[ . 1 . 2]" 1
1617 1 94 THR MG 1 95 GLU H . . 3.750 2.611 1.879 3.314 . 0 0 "[ . 1 . 2]" 1
1618 1 94 THR MG 1 95 GLU HA . . 3.900 3.618 3.346 3.851 . 0 0 "[ . 1 . 2]" 1
1619 1 94 THR MG 1 96 GLY H . . 4.340 3.837 3.310 4.270 . 0 0 "[ . 1 . 2]" 1
1620 1 95 GLU H 1 95 GLU HB2 . . 3.720 2.987 2.355 3.717 . 0 0 "[ . 1 . 2]" 1
1621 1 95 GLU H 1 95 GLU QB . . 3.140 2.642 2.325 3.133 . 0 0 "[ . 1 . 2]" 1
1622 1 95 GLU H 1 95 GLU HB3 . . 3.720 3.390 2.414 3.728 0.008 4 0 "[ . 1 . 2]" 1
1623 1 95 GLU H 1 95 GLU HG2 . . 4.570 3.093 1.899 4.306 . 0 0 "[ . 1 . 2]" 1
1624 1 95 GLU H 1 95 GLU QG . . 3.880 2.592 1.871 3.854 . 0 0 "[ . 1 . 2]" 1
1625 1 95 GLU H 1 95 GLU HG3 . . 4.570 3.200 2.042 4.506 . 0 0 "[ . 1 . 2]" 1
1626 1 95 GLU H 1 96 GLY H . . 4.480 4.325 4.147 4.499 0.019 8 0 "[ . 1 . 2]" 1
1627 1 95 GLU HA 1 96 GLY H . . 2.810 2.153 2.142 2.236 . 0 0 "[ . 1 . 2]" 1
1628 1 95 GLU HA 1 96 GLY QA . . 5.280 3.911 3.893 3.983 . 0 0 "[ . 1 . 2]" 1
1629 1 95 GLU QB 1 96 GLY H . . 3.530 3.392 3.168 3.534 0.004 8 0 "[ . 1 . 2]" 1
1630 1 95 GLU HB2 1 96 GLY H . . 4.400 4.012 3.351 4.413 0.013 7 0 "[ . 1 . 2]" 1
1631 1 95 GLU HB3 1 96 GLY H . . 4.400 3.837 3.278 4.392 . 0 0 "[ . 1 . 2]" 1
1632 1 95 GLU HG2 1 96 GLY H . . 5.500 4.867 3.319 5.483 . 0 0 "[ . 1 . 2]" 1
1633 1 95 GLU HG3 1 96 GLY H . . 5.500 4.812 2.181 5.451 . 0 0 "[ . 1 . 2]" 1
1634 1 96 GLY H 1 97 VAL MG2 . . 4.590 4.401 4.005 4.592 0.002 6 0 "[ . 1 . 2]" 1
1635 1 96 GLY QA 1 97 VAL HA . . 5.050 3.945 3.942 3.953 . 0 0 "[ . 1 . 2]" 1
1636 1 96 GLY QA 1 97 VAL MG2 . . 3.920 3.221 3.045 3.396 . 0 0 "[ . 1 . 2]" 1
1637 1 96 GLY HA2 1 97 VAL H . . 2.940 2.639 2.353 2.910 . 0 0 "[ . 1 . 2]" 1
1638 1 96 GLY HA2 1 97 VAL MG2 . . 4.470 3.344 3.159 3.540 . 0 0 "[ . 1 . 2]" 1
1639 1 96 GLY HA3 1 97 VAL H . . 2.940 2.498 2.271 2.796 . 0 0 "[ . 1 . 2]" 1
1640 1 96 GLY HA3 1 97 VAL MG2 . . 4.470 4.208 3.985 4.452 . 0 0 "[ . 1 . 2]" 1
1641 1 97 VAL H 1 97 VAL HB . . 3.260 2.632 2.535 2.734 . 0 0 "[ . 1 . 2]" 1
1642 1 97 VAL H 1 97 VAL MG1 . . 3.980 3.846 3.804 3.891 . 0 0 "[ . 1 . 2]" 1
1643 1 97 VAL H 1 97 VAL MG2 . . 3.030 2.734 2.523 2.919 . 0 0 "[ . 1 . 2]" 1
1644 1 97 VAL H 1 98 THR H . . 4.530 4.462 4.397 4.520 . 0 0 "[ . 1 . 2]" 1
1645 1 97 VAL HA 1 97 VAL MG1 . . 3.380 2.366 2.290 2.461 . 0 0 "[ . 1 . 2]" 1
1646 1 97 VAL HA 1 97 VAL MG2 . . 3.680 2.386 2.272 2.493 . 0 0 "[ . 1 . 2]" 1
1647 1 97 VAL HA 1 98 THR H . . 2.890 2.217 2.171 2.297 . 0 0 "[ . 1 . 2]" 1
1648 1 97 VAL HA 1 98 THR HB . . 4.650 4.616 4.486 4.652 0.002 6 0 "[ . 1 . 2]" 1
1649 1 97 VAL HB 1 98 THR H . . 4.090 3.961 3.715 4.090 0.000 15 0 "[ . 1 . 2]" 1
1650 1 97 VAL MG1 1 98 THR H . . 3.520 2.085 1.879 2.412 . 0 0 "[ . 1 . 2]" 1
1651 1 97 VAL MG2 1 98 THR H . . 4.250 3.925 3.837 4.035 . 0 0 "[ . 1 . 2]" 1
1652 1 98 THR H 1 98 THR HB . . 3.470 2.585 2.469 2.707 . 0 0 "[ . 1 . 2]" 1
1653 1 98 THR H 1 98 THR MG . . 4.020 3.832 3.764 3.884 . 0 0 "[ . 1 . 2]" 1
1654 1 98 THR H 1 99 GLN H . . 4.660 4.473 4.400 4.558 . 0 0 "[ . 1 . 2]" 1
1655 1 98 THR HA 1 98 THR MG . . 3.360 2.359 2.268 2.456 . 0 0 "[ . 1 . 2]" 1
1656 1 98 THR HA 1 99 GLN H . . 2.900 2.200 2.157 2.306 . 0 0 "[ . 1 . 2]" 1
1657 1 98 THR HA 1 99 GLN HA . . 4.500 4.392 4.379 4.420 . 0 0 "[ . 1 . 2]" 1
1658 1 98 THR HA 1 99 GLN QB . . 4.680 4.305 4.137 4.521 . 0 0 "[ . 1 . 2]" 1
1659 1 98 THR HB 1 99 GLN H . . 4.250 4.032 3.768 4.172 . 0 0 "[ . 1 . 2]" 1
1660 1 98 THR MG 1 99 GLN H . . 3.220 2.239 1.941 2.542 . 0 0 "[ . 1 . 2]" 1
1661 1 98 THR MG 1 99 GLN HA . . 4.820 3.718 3.541 3.878 . 0 0 "[ . 1 . 2]" 1
1662 1 99 GLN H 1 99 GLN HB2 . . 4.140 3.528 2.563 3.826 . 0 0 "[ . 1 . 2]" 1
1663 1 99 GLN H 1 99 GLN HB3 . . 4.140 3.093 2.744 3.796 . 0 0 "[ . 1 . 2]" 1
1664 1 99 GLN H 1 99 GLN HG2 . . 4.140 3.092 1.914 4.128 . 0 0 "[ . 1 . 2]" 1
1665 1 99 GLN H 1 99 GLN QG . . 3.600 2.646 1.903 3.333 . 0 0 "[ . 1 . 2]" 1
1666 1 99 GLN H 1 99 GLN HG3 . . 4.140 3.390 2.078 3.939 . 0 0 "[ . 1 . 2]" 1
1667 1 99 GLN H 1 100 LEU H . . 4.770 4.500 4.436 4.543 . 0 0 "[ . 1 . 2]" 1
1668 1 99 GLN HA 1 100 LEU H . . 3.080 2.315 2.193 2.493 . 0 0 "[ . 1 . 2]" 1
1669 1 99 GLN QB 1 100 LEU H . . 3.560 2.656 2.230 2.969 . 0 0 "[ . 1 . 2]" 1
1670 1 99 GLN HB2 1 100 LEU H . . 4.120 2.905 2.309 3.869 . 0 0 "[ . 1 . 2]" 1
1671 1 99 GLN HB3 1 100 LEU H . . 4.120 3.690 2.262 4.123 0.003 11 0 "[ . 1 . 2]" 1
1672 1 99 GLN QG 1 100 LEU H . . 4.190 3.769 2.997 4.181 . 0 0 "[ . 1 . 2]" 1
1673 1 99 GLN HG2 1 100 LEU H . . 4.980 4.200 3.064 4.886 . 0 0 "[ . 1 . 2]" 1
1674 1 99 GLN HG3 1 100 LEU H . . 4.980 4.478 3.770 4.934 . 0 0 "[ . 1 . 2]" 1
1675 1 100 LEU H 1 100 LEU QB . . 3.640 2.548 2.391 2.694 . 0 0 "[ . 1 . 2]" 1
1676 1 100 LEU H 1 100 LEU MD1 . . 5.020 4.240 4.034 4.444 . 0 0 "[ . 1 . 2]" 1
1677 1 100 LEU H 1 100 LEU HG . . 4.800 4.623 4.532 4.705 . 0 0 "[ . 1 . 2]" 1
1678 1 100 LEU HA 1 100 LEU MD1 . . 4.400 2.458 2.242 2.656 . 0 0 "[ . 1 . 2]" 1
1679 1 100 LEU HA 1 100 LEU MD2 . . 3.930 3.842 3.787 3.919 . 0 0 "[ . 1 . 2]" 1
1680 1 100 LEU HA 1 101 LYS H . . 3.210 2.189 2.138 2.360 . 0 0 "[ . 1 . 2]" 1
1681 1 100 LEU QB 1 100 LEU MD1 . . 2.900 2.077 1.978 2.219 . 0 0 "[ . 1 . 2]" 1
1682 1 100 LEU QB 1 100 LEU MD2 . . 3.000 2.043 1.957 2.098 . 0 0 "[ . 1 . 2]" 1
1683 1 100 LEU QB 1 101 LYS H . . 3.880 3.615 3.194 3.855 . 0 0 "[ . 1 . 2]" 1
1684 1 100 LEU HB2 1 100 LEU MD1 . . 3.310 2.108 2.001 2.266 . 0 0 "[ . 1 . 2]" 1
1685 1 100 LEU HB2 1 101 LYS H . . 4.630 4.298 4.016 4.488 . 0 0 "[ . 1 . 2]" 1
1686 1 100 LEU HB3 1 100 LEU MD1 . . 3.310 3.138 3.106 3.176 . 0 0 "[ . 1 . 2]" 1
1687 1 100 LEU HB3 1 101 LYS H . . 4.630 3.896 3.344 4.233 . 0 0 "[ . 1 . 2]" 1
1688 1 100 LEU MD1 1 101 LYS H . . 4.630 3.406 2.898 3.963 . 0 0 "[ . 1 . 2]" 1
1689 1 100 LEU HG 1 102 LEU MD2 . . 3.700 2.976 2.548 3.501 . 0 0 "[ . 1 . 2]" 1
1690 1 101 LYS H 1 101 LYS HB2 . . 3.790 2.740 2.501 3.201 . 0 0 "[ . 1 . 2]" 1
1691 1 101 LYS H 1 101 LYS HB3 . . 3.790 2.843 2.637 3.047 . 0 0 "[ . 1 . 2]" 1
1692 1 101 LYS H 1 102 LEU H . . 4.610 4.406 4.225 4.533 . 0 0 "[ . 1 . 2]" 1
1693 1 101 LYS H 1 102 LEU MD2 . . 4.410 4.190 3.526 4.406 . 0 0 "[ . 1 . 2]" 1
1694 1 101 LYS H 1 102 LEU HG . . 5.190 4.533 4.194 4.854 . 0 0 "[ . 1 . 2]" 1
1695 1 101 LYS HA 1 101 LYS QG . . 3.900 2.295 2.182 2.439 . 0 0 "[ . 1 . 2]" 1
1696 1 101 LYS HA 1 102 LEU H . . 3.190 2.179 2.141 2.242 . 0 0 "[ . 1 . 2]" 1
1697 1 101 LYS QB 1 101 LYS QD . . 3.290 2.178 2.089 2.457 . 0 0 "[ . 1 . 2]" 1
1698 1 101 LYS QB 1 101 LYS QE . . 4.460 2.952 2.077 3.637 . 0 0 "[ . 1 . 2]" 1
1699 1 101 LYS QB 1 102 LEU H . . 4.220 3.625 3.419 3.836 . 0 0 "[ . 1 . 2]" 1
1700 1 101 LYS HB2 1 102 LEU H . . 4.840 4.320 4.053 4.489 . 0 0 "[ . 1 . 2]" 1
1701 1 101 LYS HB3 1 102 LEU H . . 4.840 3.899 3.615 4.164 . 0 0 "[ . 1 . 2]" 1
1702 1 101 LYS HE2 1 101 LYS QG . . 3.900 2.607 2.105 3.398 . 0 0 "[ . 1 . 2]" 1
1703 1 101 LYS HE3 1 101 LYS QG . . 3.900 2.606 2.085 3.431 . 0 0 "[ . 1 . 2]" 1
1704 1 101 LYS QG 1 102 LEU H . . 3.470 2.711 2.309 3.161 . 0 0 "[ . 1 . 2]" 1
1705 1 102 LEU H 1 102 LEU QB . . 3.430 2.625 2.503 2.796 . 0 0 "[ . 1 . 2]" 1
1706 1 102 LEU H 1 102 LEU MD1 . . 4.090 3.943 3.816 4.091 0.001 6 0 "[ . 1 . 2]" 1
1707 1 102 LEU H 1 102 LEU MD2 . . 4.160 3.789 3.592 3.943 . 0 0 "[ . 1 . 2]" 1
1708 1 102 LEU H 1 102 LEU HG . . 3.920 2.843 2.584 3.012 . 0 0 "[ . 1 . 2]" 1
1709 1 102 LEU H 1 103 THR H . . 4.970 4.413 4.206 4.517 . 0 0 "[ . 1 . 2]" 1
1710 1 102 LEU HA 1 102 LEU MD1 . . 4.390 3.918 3.885 3.998 . 0 0 "[ . 1 . 2]" 1
1711 1 102 LEU HA 1 102 LEU MD2 . . 3.590 2.213 1.980 2.549 . 0 0 "[ . 1 . 2]" 1
1712 1 102 LEU HA 1 103 THR H . . 3.240 2.206 2.139 2.305 . 0 0 "[ . 1 . 2]" 1
1713 1 102 LEU QB 1 102 LEU MD1 . . 3.150 2.062 1.976 2.099 . 0 0 "[ . 1 . 2]" 1
1714 1 102 LEU QB 1 102 LEU MD2 . . 3.180 2.214 2.057 2.314 . 0 0 "[ . 1 . 2]" 1
1715 1 102 LEU HB2 1 103 THR H . . 4.260 3.962 3.762 4.131 . 0 0 "[ . 1 . 2]" 1
1716 1 102 LEU HB3 1 103 THR H . . 4.260 3.009 2.657 3.469 . 0 0 "[ . 1 . 2]" 1
1717 1 102 LEU MD1 1 118 TRP HH2 . . 4.160 3.715 3.360 4.111 . 0 0 "[ . 1 . 2]" 1
1718 1 102 LEU MD1 1 118 TRP HZ3 . . 3.690 3.045 2.759 3.235 . 0 0 "[ . 1 . 2]" 1
1719 1 102 LEU MD1 1 119 LEU MD2 . . 4.000 2.919 2.411 3.508 . 0 0 "[ . 1 . 2]" 1
1720 1 102 LEU MD2 1 103 THR H . . 4.080 3.601 3.382 4.041 . 0 0 "[ . 1 . 2]" 1
1721 1 102 LEU MD2 1 118 TRP HZ3 . . 5.500 5.323 4.760 5.500 . 0 0 "[ . 1 . 2]" 1
1722 1 103 THR H 1 103 THR HB . . 3.720 2.872 2.747 3.022 . 0 0 "[ . 1 . 2]" 1
1723 1 103 THR H 1 103 THR MG . . 4.060 3.948 3.903 4.000 . 0 0 "[ . 1 . 2]" 1
1724 1 103 THR H 1 104 VAL H . . 4.670 4.368 4.191 4.495 . 0 0 "[ . 1 . 2]" 1
1725 1 103 THR HA 1 103 THR MG . . 3.540 2.287 2.149 2.389 . 0 0 "[ . 1 . 2]" 1
1726 1 103 THR HA 1 104 VAL H . . 3.220 2.255 2.151 2.412 . 0 0 "[ . 1 . 2]" 1
1727 1 103 THR HA 1 104 VAL MG2 . . 4.290 3.617 3.194 3.850 . 0 0 "[ . 1 . 2]" 1
1728 1 103 THR HB 1 104 VAL H . . 4.280 3.822 3.298 4.141 . 0 0 "[ . 1 . 2]" 1
1729 1 103 THR MG 1 104 VAL H . . 3.690 2.113 1.869 2.692 . 0 0 "[ . 1 . 2]" 1
1730 1 104 VAL H 1 104 VAL HB . . 3.520 2.510 2.382 2.661 . 0 0 "[ . 1 . 2]" 1
1731 1 104 VAL H 1 104 VAL MG2 . . 3.210 2.294 2.005 2.508 . 0 0 "[ . 1 . 2]" 1
1732 1 104 VAL H 1 105 VAL H . . 5.350 4.549 4.432 4.623 . 0 0 "[ . 1 . 2]" 1
1733 1 104 VAL HA 1 104 VAL MG2 . . 3.250 2.346 2.236 2.530 . 0 0 "[ . 1 . 2]" 1
1734 1 104 VAL HA 1 105 VAL H . . 3.520 2.172 2.140 2.261 . 0 0 "[ . 1 . 2]" 1
1735 1 104 VAL HA 1 115 ALA MB . . 4.500 3.435 2.996 4.185 . 0 0 "[ . 1 . 2]" 1
1736 1 104 VAL HB 1 105 VAL H . . 4.250 4.118 3.791 4.265 0.015 11 0 "[ . 1 . 2]" 1
1737 1 104 VAL HB 1 112 ARG QD . . 4.160 3.553 2.769 4.163 0.003 17 0 "[ . 1 . 2]" 1
1738 1 104 VAL MG1 1 105 VAL H . . 3.950 2.383 1.981 2.748 . 0 0 "[ . 1 . 2]" 1
1739 1 104 VAL MG1 1 112 ARG HA . . 4.150 2.628 2.113 3.440 . 0 0 "[ . 1 . 2]" 1
1740 1 104 VAL MG1 1 112 ARG HD2 . . 4.470 3.295 2.049 4.299 . 0 0 "[ . 1 . 2]" 1
1741 1 104 VAL MG1 1 112 ARG QD . . 3.850 2.357 1.946 3.469 . 0 0 "[ . 1 . 2]" 1
1742 1 104 VAL MG1 1 112 ARG HD3 . . 4.470 2.589 1.958 3.994 . 0 0 "[ . 1 . 2]" 1
1743 1 104 VAL MG1 1 115 ALA MB . . 3.540 2.429 1.917 3.260 . 0 0 "[ . 1 . 2]" 1
1744 1 104 VAL MG2 1 105 VAL H . . 4.120 3.980 3.825 4.121 0.001 19 0 "[ . 1 . 2]" 1
1745 1 104 VAL MG2 1 112 ARG HA . . 4.100 3.728 2.946 4.103 0.003 10 0 "[ . 1 . 2]" 1
1746 1 104 VAL MG2 1 112 ARG HD2 . . 4.360 3.811 2.862 4.361 0.001 9 0 "[ . 1 . 2]" 1
1747 1 104 VAL MG2 1 112 ARG QD . . 3.760 3.109 2.566 3.761 0.001 10 0 "[ . 1 . 2]" 1
1748 1 104 VAL MG2 1 112 ARG HD3 . . 4.360 3.485 2.595 4.357 . 0 0 "[ . 1 . 2]" 1
1749 1 104 VAL MG2 1 115 ALA MB . . 3.030 2.064 1.865 2.350 . 0 0 "[ . 1 . 2]" 1
1750 1 104 VAL MG2 1 116 VAL H . . 3.640 3.411 3.079 3.597 . 0 0 "[ . 1 . 2]" 1
1751 1 104 VAL MG2 1 116 VAL HA . . 4.220 3.756 3.165 4.234 0.014 17 0 "[ . 1 . 2]" 1
1752 1 104 VAL MG2 1 116 VAL MG2 . . 3.150 2.725 2.076 3.043 . 0 0 "[ . 1 . 2]" 1
1753 1 104 VAL MG2 1 119 LEU MD1 . . 3.240 2.456 1.992 2.963 . 0 0 "[ . 1 . 2]" 1
1754 1 105 VAL H 1 105 VAL HB . . 3.910 3.016 2.541 3.857 . 0 0 "[ . 1 . 2]" 1
1755 1 105 VAL H 1 105 VAL QG . . 3.500 2.175 1.901 2.808 . 0 0 "[ . 1 . 2]" 1
1756 1 105 VAL H 1 106 GLU H . . 4.870 4.314 2.181 4.639 . 0 0 "[ . 1 . 2]" 1
1757 1 105 VAL HA 1 105 VAL MG1 . . 3.490 2.469 2.102 3.194 . 0 0 "[ . 1 . 2]" 1
1758 1 105 VAL HA 1 105 VAL QG . . 3.030 2.159 2.032 2.316 . 0 0 "[ . 1 . 2]" 1
1759 1 105 VAL HA 1 105 VAL MG2 . . 3.490 2.632 2.272 3.201 . 0 0 "[ . 1 . 2]" 1
1760 1 105 VAL HA 1 106 GLU H . . 3.040 2.349 2.176 3.169 0.129 16 0 "[ . 1 . 2]" 1
1761 1 105 VAL HB 1 106 GLU H . . 4.070 3.558 2.150 4.079 0.009 3 0 "[ . 1 . 2]" 1
1762 1 105 VAL QG 1 106 GLU H . . 3.430 2.588 1.843 3.676 0.246 19 0 "[ . 1 . 2]" 1
1763 1 105 VAL MG1 1 106 GLU H . . 4.220 3.094 1.949 4.325 0.105 16 0 "[ . 1 . 2]" 1
1764 1 105 VAL MG2 1 106 GLU H . . 4.220 3.494 1.852 4.074 . 0 0 "[ . 1 . 2]" 1
1765 1 106 GLU H 1 106 GLU HB2 . . 3.770 3.191 2.219 3.776 0.006 13 0 "[ . 1 . 2]" 1
1766 1 106 GLU H 1 106 GLU QB . . 3.210 2.667 2.196 3.171 . 0 0 "[ . 1 . 2]" 1
1767 1 106 GLU H 1 106 GLU HB3 . . 3.770 3.240 2.607 3.760 . 0 0 "[ . 1 . 2]" 1
1768 1 106 GLU H 1 106 GLU HG2 . . 3.960 2.902 1.897 3.937 . 0 0 "[ . 1 . 2]" 1
1769 1 106 GLU H 1 106 GLU QG . . 3.450 2.402 1.865 3.181 . 0 0 "[ . 1 . 2]" 1
1770 1 106 GLU H 1 106 GLU HG3 . . 3.960 3.037 1.893 3.972 0.012 10 0 "[ . 1 . 2]" 1
1771 1 106 GLU H 1 107 ASP H . . 4.420 3.157 1.792 4.502 0.082 10 0 "[ . 1 . 2]" 1
1772 1 106 GLU HA 1 106 GLU HG2 . . 4.020 3.220 2.236 4.125 0.105 9 0 "[ . 1 . 2]" 1
1773 1 106 GLU HA 1 106 GLU QG . . 3.530 2.934 2.185 3.390 . 0 0 "[ . 1 . 2]" 1
1774 1 106 GLU HA 1 106 GLU HG3 . . 4.020 3.569 3.067 4.199 0.179 10 0 "[ . 1 . 2]" 1
1775 1 106 GLU HA 1 107 ASP H . . 3.510 2.833 2.138 3.567 0.057 7 0 "[ . 1 . 2]" 1
1776 1 106 GLU QB 1 107 ASP H . . 4.390 3.343 2.203 4.046 . 0 0 "[ . 1 . 2]" 1
1777 1 106 GLU QG 1 107 ASP H . . 4.720 3.856 2.298 4.551 . 0 0 "[ . 1 . 2]" 1
1778 1 107 ASP H 1 107 ASP QB . . 3.520 2.636 2.224 3.024 . 0 0 "[ . 1 . 2]" 1
1779 1 107 ASP QB 1 108 VAL H . . 3.920 2.766 1.921 3.921 0.001 16 0 "[ . 1 . 2]" 1
1780 1 107 ASP QB 1 108 VAL HA . . 4.640 4.301 3.747 4.638 . 0 0 "[ . 1 . 2]" 1
1781 1 108 VAL H 1 108 VAL HB . . 3.830 2.984 2.392 3.833 0.003 16 0 "[ . 1 . 2]" 1
1782 1 108 VAL H 1 108 VAL MG1 . . 4.090 2.404 1.891 3.767 . 0 0 "[ . 1 . 2]" 1
1783 1 108 VAL H 1 108 VAL QG . . 3.500 2.082 1.832 2.611 . 0 0 "[ . 1 . 2]" 1
1784 1 108 VAL H 1 108 VAL MG2 . . 4.090 3.175 1.979 4.040 . 0 0 "[ . 1 . 2]" 1
1785 1 108 VAL HA 1 108 VAL MG1 . . 3.430 2.881 2.325 3.204 . 0 0 "[ . 1 . 2]" 1
1786 1 108 VAL HA 1 108 VAL QG . . 2.980 2.245 2.070 2.401 . 0 0 "[ . 1 . 2]" 1
1787 1 108 VAL HA 1 108 VAL MG2 . . 3.430 2.525 2.194 3.203 . 0 0 "[ . 1 . 2]" 1
1788 1 108 VAL QG 1 109 THR HB . . 4.470 3.691 2.850 4.470 0.000 14 0 "[ . 1 . 2]" 1
1789 1 108 VAL QG 1 109 THR MG . . 4.140 3.465 1.919 4.146 0.006 4 0 "[ . 1 . 2]" 1
1790 1 109 THR HA 1 109 THR MG . . 3.420 2.298 2.168 2.524 . 0 0 "[ . 1 . 2]" 1
1791 1 109 THR HB 1 110 VAL H . . 4.090 3.019 1.972 4.095 0.005 15 0 "[ . 1 . 2]" 1
1792 1 109 THR HB 1 110 VAL HA . . 4.900 4.581 4.044 4.892 . 0 0 "[ . 1 . 2]" 1
1793 1 110 VAL H 1 110 VAL HB . . 3.900 3.182 2.461 3.930 0.030 17 0 "[ . 1 . 2]" 1
1794 1 110 VAL H 1 110 VAL MG1 . . 4.480 2.935 1.952 3.876 . 0 0 "[ . 1 . 2]" 1
1795 1 110 VAL H 1 110 VAL QG . . 3.910 2.208 1.885 3.066 . 0 0 "[ . 1 . 2]" 1
1796 1 110 VAL H 1 110 VAL MG2 . . 4.480 2.695 1.901 3.962 . 0 0 "[ . 1 . 2]" 1
1797 1 110 VAL QG 1 111 GLY H . . 4.210 2.886 1.852 3.727 . 0 0 "[ . 1 . 2]" 1
1798 1 110 VAL MG1 1 111 GLY H . . 4.970 3.412 1.860 4.361 . 0 0 "[ . 1 . 2]" 1
1799 1 110 VAL MG2 1 111 GLY H . . 4.970 3.594 2.091 4.359 . 0 0 "[ . 1 . 2]" 1
1800 1 111 GLY QA 1 115 ALA H . . 5.340 4.249 3.335 5.226 . 0 0 "[ . 1 . 2]" 1
1801 1 112 ARG H 1 112 ARG QG . . 4.890 3.540 2.265 4.089 . 0 0 "[ . 1 . 2]" 1
1802 1 112 ARG HA 1 112 ARG HD2 . . 4.510 3.516 2.236 4.392 . 0 0 "[ . 1 . 2]" 1
1803 1 112 ARG HA 1 112 ARG QD . . 3.850 2.703 1.977 3.922 0.072 6 0 "[ . 1 . 2]" 1
1804 1 112 ARG HA 1 112 ARG HD3 . . 4.510 3.000 1.989 4.536 0.026 6 0 "[ . 1 . 2]" 1
1805 1 112 ARG HA 1 112 ARG QG . . 3.770 2.481 2.134 3.055 . 0 0 "[ . 1 . 2]" 1
1806 1 112 ARG HA 1 115 ALA H . . 4.100 3.724 3.095 4.088 . 0 0 "[ . 1 . 2]" 1
1807 1 112 ARG HA 1 115 ALA MB . . 3.550 2.864 2.085 3.330 . 0 0 "[ . 1 . 2]" 1
1808 1 112 ARG HA 1 116 VAL MG2 . . 4.590 3.253 2.853 3.680 . 0 0 "[ . 1 . 2]" 1
1809 1 112 ARG QB 1 112 ARG QD . . 3.110 2.281 2.017 2.664 . 0 0 "[ . 1 . 2]" 1
1810 1 112 ARG QB 1 113 ARG H . . 3.150 2.420 2.007 2.711 . 0 0 "[ . 1 . 2]" 1
1811 1 112 ARG HB2 1 113 ARG H . . 3.640 3.277 2.590 3.642 0.002 14 0 "[ . 1 . 2]" 1
1812 1 112 ARG HB2 1 116 VAL MG2 . . 4.690 4.177 3.106 4.653 . 0 0 "[ . 1 . 2]" 1
1813 1 112 ARG HB3 1 113 ARG H . . 3.640 2.694 2.021 3.581 . 0 0 "[ . 1 . 2]" 1
1814 1 112 ARG HB3 1 116 VAL MG2 . . 4.690 3.290 2.001 4.126 . 0 0 "[ . 1 . 2]" 1
1815 1 112 ARG QG 1 113 ARG H . . 4.490 3.940 3.199 4.486 . 0 0 "[ . 1 . 2]" 1
1816 1 112 ARG QG 1 116 VAL MG2 . . 3.910 2.641 1.834 3.904 . 0 0 "[ . 1 . 2]" 1
1817 1 113 ARG H 1 113 ARG HB2 . . 4.040 2.521 2.162 3.610 . 0 0 "[ . 1 . 2]" 1
1818 1 113 ARG H 1 113 ARG QB . . 3.280 2.373 2.122 2.540 . 0 0 "[ . 1 . 2]" 1
1819 1 113 ARG H 1 113 ARG HB3 . . 4.040 3.444 2.489 3.616 . 0 0 "[ . 1 . 2]" 1
1820 1 113 ARG H 1 113 ARG QD . . 4.630 3.416 1.824 4.564 . 0 0 "[ . 1 . 2]" 1
1821 1 113 ARG H 1 113 ARG QG . . 3.650 2.623 2.036 3.700 0.050 4 0 "[ . 1 . 2]" 1
1822 1 113 ARG HA 1 113 ARG QD . . 4.280 3.266 2.006 4.265 . 0 0 "[ . 1 . 2]" 1
1823 1 113 ARG HA 1 113 ARG HG2 . . 3.910 2.918 2.171 3.729 . 0 0 "[ . 1 . 2]" 1
1824 1 113 ARG HA 1 113 ARG QG . . 3.390 2.496 2.150 3.344 . 0 0 "[ . 1 . 2]" 1
1825 1 113 ARG HA 1 113 ARG HG3 . . 3.910 3.135 2.178 3.900 . 0 0 "[ . 1 . 2]" 1
1826 1 113 ARG HA 1 115 ALA H . . 5.500 5.096 4.843 5.372 . 0 0 "[ . 1 . 2]" 1
1827 1 113 ARG HA 1 116 VAL H . . 4.460 4.254 3.908 4.489 0.029 17 0 "[ . 1 . 2]" 1
1828 1 113 ARG HA 1 116 VAL HB . . 3.920 3.045 2.529 3.551 . 0 0 "[ . 1 . 2]" 1
1829 1 113 ARG HA 1 116 VAL MG2 . . 4.180 3.534 2.951 4.138 . 0 0 "[ . 1 . 2]" 1
1830 1 113 ARG HA 1 117 ALA H . . 4.190 3.985 3.658 4.177 . 0 0 "[ . 1 . 2]" 1
1831 1 113 ARG QB 1 113 ARG QD . . 3.220 2.213 2.038 2.567 . 0 0 "[ . 1 . 2]" 1
1832 1 113 ARG HB2 1 114 GLN H . . 3.880 2.726 2.273 3.618 . 0 0 "[ . 1 . 2]" 1
1833 1 113 ARG HB3 1 114 GLN H . . 3.880 3.347 2.214 3.887 0.007 17 0 "[ . 1 . 2]" 1
1834 1 114 GLN H 1 114 GLN HB2 . . 3.430 2.429 2.170 2.684 . 0 0 "[ . 1 . 2]" 1
1835 1 114 GLN H 1 114 GLN HB3 . . 3.430 2.676 2.383 3.479 0.049 9 0 "[ . 1 . 2]" 1
1836 1 114 GLN H 1 114 GLN QG . . 4.110 3.970 2.956 4.078 . 0 0 "[ . 1 . 2]" 1
1837 1 114 GLN H 1 115 ALA H . . 3.510 2.921 2.509 3.187 . 0 0 "[ . 1 . 2]" 1
1838 1 114 GLN HA 1 114 GLN HE21 . . 5.390 3.715 2.387 4.852 . 0 0 "[ . 1 . 2]" 1
1839 1 114 GLN HA 1 114 GLN HE22 . . 5.390 4.003 2.970 5.288 . 0 0 "[ . 1 . 2]" 1
1840 1 114 GLN HA 1 114 GLN QG . . 3.850 2.815 2.372 3.155 . 0 0 "[ . 1 . 2]" 1
1841 1 114 GLN HA 1 117 ALA H . . 4.040 3.813 3.634 4.016 . 0 0 "[ . 1 . 2]" 1
1842 1 114 GLN HA 1 117 ALA MB . . 3.420 2.745 2.314 3.193 . 0 0 "[ . 1 . 2]" 1
1843 1 114 GLN QB 1 115 ALA H . . 3.370 2.125 1.897 2.451 . 0 0 "[ . 1 . 2]" 1
1844 1 114 GLN HB2 1 115 ALA H . . 3.880 3.502 2.580 3.795 . 0 0 "[ . 1 . 2]" 1
1845 1 114 GLN HB3 1 115 ALA H . . 3.880 2.167 1.910 2.945 . 0 0 "[ . 1 . 2]" 1
1846 1 114 GLN QG 1 115 ALA H . . 4.380 3.378 2.725 4.248 . 0 0 "[ . 1 . 2]" 1
1847 1 115 ALA H 1 115 ALA MB . . 3.060 2.137 2.038 2.230 . 0 0 "[ . 1 . 2]" 1
1848 1 115 ALA H 1 116 VAL H . . 3.560 3.055 2.919 3.208 . 0 0 "[ . 1 . 2]" 1
1849 1 115 ALA HA 1 117 ALA H . . 4.650 4.400 4.038 4.647 . 0 0 "[ . 1 . 2]" 1
1850 1 115 ALA HA 1 118 TRP H . . 4.440 3.499 3.232 3.704 . 0 0 "[ . 1 . 2]" 1
1851 1 115 ALA HA 1 118 TRP QB . . 4.460 2.901 2.638 3.339 . 0 0 "[ . 1 . 2]" 1
1852 1 115 ALA HA 1 119 LEU H . . 4.340 4.218 3.937 4.342 0.002 4 0 "[ . 1 . 2]" 1
1853 1 115 ALA MB 1 116 VAL H . . 3.470 2.226 1.970 2.408 . 0 0 "[ . 1 . 2]" 1
1854 1 115 ALA MB 1 116 VAL HA . . 4.780 3.650 3.556 3.721 . 0 0 "[ . 1 . 2]" 1
1855 1 115 ALA MB 1 116 VAL MG2 . . 3.640 3.051 2.869 3.184 . 0 0 "[ . 1 . 2]" 1
1856 1 115 ALA MB 1 119 LEU HG . . 4.700 3.603 3.224 4.054 . 0 0 "[ . 1 . 2]" 1
1857 1 116 VAL H 1 116 VAL HB . . 3.140 2.633 2.548 2.735 . 0 0 "[ . 1 . 2]" 1
1858 1 116 VAL H 1 116 VAL MG1 . . 4.160 3.770 3.757 3.777 . 0 0 "[ . 1 . 2]" 1
1859 1 116 VAL H 1 116 VAL MG2 . . 3.140 2.037 1.908 2.223 . 0 0 "[ . 1 . 2]" 1
1860 1 116 VAL H 1 117 ALA H . . 3.410 2.920 2.761 3.010 . 0 0 "[ . 1 . 2]" 1
1861 1 116 VAL H 1 117 ALA MB . . 4.630 4.501 4.409 4.604 . 0 0 "[ . 1 . 2]" 1
1862 1 116 VAL H 1 118 TRP H . . 5.080 4.421 4.156 4.824 . 0 0 "[ . 1 . 2]" 1
1863 1 116 VAL H 1 119 LEU MD1 . . 4.550 3.772 3.237 4.513 . 0 0 "[ . 1 . 2]" 1
1864 1 116 VAL H 1 119 LEU HG . . 5.290 4.579 4.217 4.944 . 0 0 "[ . 1 . 2]" 1
1865 1 116 VAL HA 1 116 VAL MG1 . . 3.430 2.390 2.301 2.475 . 0 0 "[ . 1 . 2]" 1
1866 1 116 VAL HA 1 116 VAL MG2 . . 3.410 2.362 2.266 2.438 . 0 0 "[ . 1 . 2]" 1
1867 1 116 VAL HA 1 119 LEU H . . 4.330 3.550 3.199 3.992 . 0 0 "[ . 1 . 2]" 1
1868 1 116 VAL HA 1 119 LEU QB . . 4.270 2.811 2.177 3.191 . 0 0 "[ . 1 . 2]" 1
1869 1 116 VAL HA 1 119 LEU MD1 . . 3.770 2.148 1.878 2.848 . 0 0 "[ . 1 . 2]" 1
1870 1 116 VAL HA 1 119 LEU HG . . 4.670 3.196 2.856 3.702 . 0 0 "[ . 1 . 2]" 1
1871 1 116 VAL HB 1 117 ALA H . . 3.390 2.558 2.377 2.844 . 0 0 "[ . 1 . 2]" 1
1872 1 116 VAL HB 1 117 ALA HA . . 5.100 4.235 4.092 4.384 . 0 0 "[ . 1 . 2]" 1
1873 1 116 VAL HB 1 117 ALA MB . . 4.110 3.965 3.819 4.073 . 0 0 "[ . 1 . 2]" 1
1874 1 116 VAL MG1 1 117 ALA H . . 3.780 3.407 3.244 3.587 . 0 0 "[ . 1 . 2]" 1
1875 1 116 VAL MG1 1 117 ALA HA . . 3.560 3.463 3.342 3.558 . 0 0 "[ . 1 . 2]" 1
1876 1 116 VAL MG1 1 120 VAL H . . 4.540 3.864 3.418 4.431 . 0 0 "[ . 1 . 2]" 1
1877 1 116 VAL MG2 1 117 ALA H . . 3.980 3.823 3.664 3.961 . 0 0 "[ . 1 . 2]" 1
1878 1 116 VAL MG2 1 119 LEU MD1 . . 4.200 3.086 2.661 3.528 . 0 0 "[ . 1 . 2]" 1
1879 1 117 ALA H 1 117 ALA MB . . 2.950 2.121 2.024 2.236 . 0 0 "[ . 1 . 2]" 1
1880 1 117 ALA H 1 118 TRP H . . 3.530 2.758 2.517 2.957 . 0 0 "[ . 1 . 2]" 1
1881 1 117 ALA HA 1 119 LEU H . . 5.000 4.482 3.876 4.855 . 0 0 "[ . 1 . 2]" 1
1882 1 117 ALA HA 1 120 VAL H . . 4.190 3.873 3.566 4.117 . 0 0 "[ . 1 . 2]" 1
1883 1 117 ALA HA 1 120 VAL QG . . 3.740 2.305 1.901 3.659 . 0 0 "[ . 1 . 2]" 1
1884 1 117 ALA MB 1 118 TRP H . . 3.590 2.545 2.316 2.772 . 0 0 "[ . 1 . 2]" 1
1885 1 117 ALA MB 1 118 TRP HA . . 4.180 3.744 3.572 3.859 . 0 0 "[ . 1 . 2]" 1
1886 1 117 ALA MB 1 120 VAL H . . 5.500 4.965 4.767 5.189 . 0 0 "[ . 1 . 2]" 1
1887 1 118 TRP H 1 118 TRP HB2 . . 3.530 2.447 2.346 2.557 . 0 0 "[ . 1 . 2]" 1
1888 1 118 TRP H 1 118 TRP QB . . 3.080 2.249 2.218 2.287 . 0 0 "[ . 1 . 2]" 1
1889 1 118 TRP H 1 118 TRP HB3 . . 3.530 2.634 2.550 2.734 . 0 0 "[ . 1 . 2]" 1
1890 1 118 TRP H 1 118 TRP HD1 . . 5.030 4.885 4.738 5.021 . 0 0 "[ . 1 . 2]" 1
1891 1 118 TRP H 1 118 TRP HE3 . . 5.040 4.782 4.638 4.940 . 0 0 "[ . 1 . 2]" 1
1892 1 118 TRP H 1 119 LEU HG . . 4.880 4.340 4.112 4.764 . 0 0 "[ . 1 . 2]" 1
1893 1 118 TRP H 1 120 VAL H . . 5.500 4.549 4.171 5.020 . 0 0 "[ . 1 . 2]" 1
1894 1 118 TRP HA 1 118 TRP HE3 . . 4.560 4.117 3.974 4.279 . 0 0 "[ . 1 . 2]" 1
1895 1 118 TRP HA 1 121 ALA H . . 4.230 3.545 3.251 3.795 . 0 0 "[ . 1 . 2]" 1
1896 1 118 TRP HA 1 121 ALA MB . . 3.650 2.276 2.014 2.780 . 0 0 "[ . 1 . 2]" 1
1897 1 118 TRP QB 1 119 LEU H . . 3.570 2.547 2.290 2.836 . 0 0 "[ . 1 . 2]" 1
1898 1 118 TRP HB2 1 119 LEU H . . 4.280 3.810 3.639 4.011 . 0 0 "[ . 1 . 2]" 1
1899 1 118 TRP HB3 1 119 LEU H . . 4.280 2.589 2.313 2.901 . 0 0 "[ . 1 . 2]" 1
1900 1 118 TRP HE3 1 119 LEU H . . 4.230 3.029 2.656 3.252 . 0 0 "[ . 1 . 2]" 1
1901 1 118 TRP HE3 1 119 LEU HA . . 4.030 2.156 2.001 2.489 . 0 0 "[ . 1 . 2]" 1
1902 1 118 TRP HE3 1 119 LEU MD2 . . 3.770 2.594 2.051 2.988 . 0 0 "[ . 1 . 2]" 1
1903 1 118 TRP HE3 1 119 LEU HG . . 4.840 3.323 2.927 3.726 . 0 0 "[ . 1 . 2]" 1
1904 1 118 TRP HH2 1 122 MET QB . . 4.570 3.555 3.272 3.864 . 0 0 "[ . 1 . 2]" 1
1905 1 118 TRP HH2 1 122 MET ME . . 4.130 4.005 3.640 4.126 . 0 0 "[ . 1 . 2]" 1
1906 1 118 TRP HZ2 1 122 MET ME . . 4.770 4.556 3.998 4.769 . 0 0 "[ . 1 . 2]" 1
1907 1 118 TRP HZ3 1 119 LEU HA . . 4.790 3.208 2.930 3.704 . 0 0 "[ . 1 . 2]" 1
1908 1 118 TRP HZ3 1 119 LEU MD2 . . 4.310 3.047 2.571 3.600 . 0 0 "[ . 1 . 2]" 1
1909 1 118 TRP HZ3 1 122 MET QB . . 4.710 3.035 2.566 3.339 . 0 0 "[ . 1 . 2]" 1
1910 1 118 TRP HZ3 1 122 MET QG . . 4.740 3.122 2.612 3.766 . 0 0 "[ . 1 . 2]" 1
1911 1 119 LEU H 1 119 LEU HB2 . . 3.910 2.515 2.337 2.635 . 0 0 "[ . 1 . 2]" 1
1912 1 119 LEU H 1 119 LEU QB . . 3.420 2.467 2.308 2.571 . 0 0 "[ . 1 . 2]" 1
1913 1 119 LEU H 1 119 LEU HB3 . . 3.910 3.583 3.560 3.594 . 0 0 "[ . 1 . 2]" 1
1914 1 119 LEU H 1 119 LEU MD1 . . 3.880 3.503 3.313 3.876 . 0 0 "[ . 1 . 2]" 1
1915 1 119 LEU H 1 119 LEU MD2 . . 3.740 3.393 2.985 3.645 . 0 0 "[ . 1 . 2]" 1
1916 1 119 LEU H 1 119 LEU HG . . 3.520 2.201 1.969 2.520 . 0 0 "[ . 1 . 2]" 1
1917 1 119 LEU H 1 120 VAL H . . 3.700 2.909 2.689 3.186 . 0 0 "[ . 1 . 2]" 1
1918 1 119 LEU H 1 120 VAL QG . . 4.230 3.901 3.687 4.215 . 0 0 "[ . 1 . 2]" 1
1919 1 119 LEU HA 1 119 LEU MD1 . . 4.540 3.895 3.722 3.962 . 0 0 "[ . 1 . 2]" 1
1920 1 119 LEU HA 1 119 LEU MD2 . . 3.400 2.134 1.929 2.408 . 0 0 "[ . 1 . 2]" 1
1921 1 119 LEU HA 1 121 ALA H . . 4.820 4.534 4.206 4.760 . 0 0 "[ . 1 . 2]" 1
1922 1 119 LEU HA 1 122 MET QB . . 4.050 3.185 2.606 3.634 . 0 0 "[ . 1 . 2]" 1
1923 1 119 LEU QB 1 119 LEU MD1 . . 3.240 2.039 1.981 2.099 . 0 0 "[ . 1 . 2]" 1
1924 1 119 LEU QB 1 120 VAL H . . 3.270 2.217 1.939 2.445 . 0 0 "[ . 1 . 2]" 1
1925 1 119 LEU QB 1 120 VAL HA . . 4.970 3.812 3.747 3.891 . 0 0 "[ . 1 . 2]" 1
1926 1 119 LEU HB2 1 120 VAL H . . 3.870 2.254 1.965 2.502 . 0 0 "[ . 1 . 2]" 1
1927 1 119 LEU HB3 1 120 VAL H . . 3.870 3.298 2.980 3.537 . 0 0 "[ . 1 . 2]" 1
1928 1 119 LEU MD1 1 120 VAL H . . 5.030 4.092 3.754 4.430 . 0 0 "[ . 1 . 2]" 1
1929 1 119 LEU HG 1 120 VAL H . . 4.470 4.247 4.067 4.431 . 0 0 "[ . 1 . 2]" 1
1930 1 120 VAL H 1 120 VAL HB . . 3.160 2.569 2.385 2.785 . 0 0 "[ . 1 . 2]" 1
1931 1 120 VAL H 1 120 VAL MG1 . . 3.850 2.160 1.888 3.765 . 0 0 "[ . 1 . 2]" 1
1932 1 120 VAL H 1 120 VAL QG . . 2.990 2.062 1.883 2.305 . 0 0 "[ . 1 . 2]" 1
1933 1 120 VAL H 1 120 VAL MG2 . . 3.850 3.675 2.005 3.783 . 0 0 "[ . 1 . 2]" 1
1934 1 120 VAL H 1 121 ALA H . . 3.460 2.648 2.441 2.900 . 0 0 "[ . 1 . 2]" 1
1935 1 120 VAL HA 1 120 VAL MG1 . . 3.440 3.160 2.442 3.204 . 0 0 "[ . 1 . 2]" 1
1936 1 120 VAL HA 1 120 VAL QG . . 2.980 2.291 2.171 2.377 . 0 0 "[ . 1 . 2]" 1
1937 1 120 VAL HA 1 120 VAL MG2 . . 3.440 2.360 2.253 2.452 . 0 0 "[ . 1 . 2]" 1
1938 1 120 VAL HA 1 121 ALA HA . . 5.060 4.819 4.770 4.872 . 0 0 "[ . 1 . 2]" 1
1939 1 120 VAL HA 1 121 ALA MB . . 5.500 5.008 4.966 5.038 . 0 0 "[ . 1 . 2]" 1
1940 1 120 VAL HA 1 123 HIS H . . 4.200 3.767 3.482 4.108 . 0 0 "[ . 1 . 2]" 1
1941 1 120 VAL HA 1 123 HIS HB2 . . 4.380 4.079 3.560 4.383 0.003 7 0 "[ . 1 . 2]" 1
1942 1 120 VAL HA 1 123 HIS HB3 . . 4.070 3.190 2.785 3.613 . 0 0 "[ . 1 . 2]" 1
1943 1 120 VAL HA 1 124 LYS H . . 4.980 4.023 3.733 4.603 . 0 0 "[ . 1 . 2]" 1
1944 1 120 VAL HB 1 121 ALA H . . 4.150 3.849 2.494 4.104 . 0 0 "[ . 1 . 2]" 1
1945 1 120 VAL QG 1 121 ALA HA . . 3.970 2.993 2.814 3.417 . 0 0 "[ . 1 . 2]" 1
1946 1 120 VAL QG 1 123 HIS H . . 5.440 4.507 4.343 4.792 . 0 0 "[ . 1 . 2]" 1
1947 1 120 VAL MG1 1 121 ALA H . . 3.800 2.041 1.849 3.395 . 0 0 "[ . 1 . 2]" 1
1948 1 120 VAL MG2 1 121 ALA H . . 3.800 3.608 3.382 3.795 . 0 0 "[ . 1 . 2]" 1
1949 1 121 ALA H 1 121 ALA MB . . 3.080 2.159 2.035 2.242 . 0 0 "[ . 1 . 2]" 1
1950 1 121 ALA H 1 122 MET H . . 3.640 2.756 2.546 2.965 . 0 0 "[ . 1 . 2]" 1
1951 1 121 ALA H 1 122 MET QB . . 5.010 4.461 4.321 4.571 . 0 0 "[ . 1 . 2]" 1
1952 1 121 ALA HA 1 124 LYS H . . 4.350 3.837 3.400 4.207 . 0 0 "[ . 1 . 2]" 1
1953 1 121 ALA HA 1 124 LYS HB2 . . 4.380 2.676 2.393 3.061 . 0 0 "[ . 1 . 2]" 1
1954 1 121 ALA HA 1 124 LYS QB . . 3.720 2.644 2.374 3.006 . 0 0 "[ . 1 . 2]" 1
1955 1 121 ALA HA 1 124 LYS HB3 . . 4.380 4.122 3.813 4.382 0.002 13 0 "[ . 1 . 2]" 1
1956 1 121 ALA HA 1 124 LYS QD . . 5.500 4.399 2.694 5.432 . 0 0 "[ . 1 . 2]" 1
1957 1 121 ALA HA 1 124 LYS QG . . 5.340 3.729 2.919 4.631 . 0 0 "[ . 1 . 2]" 1
1958 1 121 ALA HA 1 125 ALA H . . 4.380 3.985 3.513 4.394 0.014 11 0 "[ . 1 . 2]" 1
1959 1 121 ALA MB 1 122 MET H . . 3.600 2.542 2.200 2.874 . 0 0 "[ . 1 . 2]" 1
1960 1 121 ALA MB 1 122 MET HA . . 4.000 3.759 3.610 3.897 . 0 0 "[ . 1 . 2]" 1
1961 1 121 ALA MB 1 124 LYS QB . . 4.860 4.033 3.767 4.292 . 0 0 "[ . 1 . 2]" 1
1962 1 122 MET H 1 122 MET HB2 . . 3.600 2.451 2.321 2.724 . 0 0 "[ . 1 . 2]" 1
1963 1 122 MET H 1 122 MET HB3 . . 3.600 2.617 2.394 2.769 . 0 0 "[ . 1 . 2]" 1
1964 1 122 MET H 1 122 MET HG2 . . 4.820 4.545 4.300 4.633 . 0 0 "[ . 1 . 2]" 1
1965 1 122 MET H 1 122 MET HG3 . . 4.820 4.470 4.344 4.576 . 0 0 "[ . 1 . 2]" 1
1966 1 122 MET H 1 123 HIS H . . 3.800 2.917 2.533 3.212 . 0 0 "[ . 1 . 2]" 1
1967 1 122 MET HA 1 122 MET ME . . 3.980 3.554 2.966 3.975 . 0 0 "[ . 1 . 2]" 1
1968 1 122 MET HA 1 125 ALA H . . 4.260 3.838 3.399 4.217 . 0 0 "[ . 1 . 2]" 1
1969 1 122 MET HA 1 125 ALA MB . . 3.460 3.001 2.460 3.392 . 0 0 "[ . 1 . 2]" 1
1970 1 122 MET HA 1 126 ALA H . . 4.870 3.980 3.585 4.191 . 0 0 "[ . 1 . 2]" 1
1971 1 122 MET QB 1 123 HIS HA . . 4.980 4.040 3.893 4.214 . 0 0 "[ . 1 . 2]" 1
1972 1 122 MET HB2 1 123 HIS H . . 3.940 3.647 3.463 3.882 . 0 0 "[ . 1 . 2]" 1
1973 1 122 MET HB3 1 123 HIS H . . 3.940 2.233 1.959 2.534 . 0 0 "[ . 1 . 2]" 1
1974 1 122 MET ME 1 122 MET HG2 . . 3.620 2.739 2.184 3.081 . 0 0 "[ . 1 . 2]" 1
1975 1 122 MET ME 1 122 MET QG . . 3.080 2.120 1.985 2.221 . 0 0 "[ . 1 . 2]" 1
1976 1 122 MET ME 1 122 MET HG3 . . 3.620 2.294 2.010 2.701 . 0 0 "[ . 1 . 2]" 1
1977 1 122 MET ME 1 126 ALA H . . 4.430 3.995 3.481 4.401 . 0 0 "[ . 1 . 2]" 1
1978 1 122 MET ME 1 126 ALA HA . . 4.380 3.795 3.134 4.379 . 0 0 "[ . 1 . 2]" 1
1979 1 122 MET ME 1 126 ALA MB . . 3.460 2.686 1.956 3.431 . 0 0 "[ . 1 . 2]" 1
1980 1 122 MET ME 1 129 LEU MD1 . . 4.160 3.574 3.003 4.160 . 11 0 "[ . 1 . 2]" 1
1981 1 122 MET QG 1 123 HIS H . . 3.760 3.480 3.173 3.804 0.044 13 0 "[ . 1 . 2]" 1
1982 1 123 HIS H 1 123 HIS HB2 . . 3.470 2.526 2.314 2.917 . 0 0 "[ . 1 . 2]" 1
1983 1 123 HIS H 1 123 HIS HB3 . . 3.440 2.559 2.209 2.815 . 0 0 "[ . 1 . 2]" 1
1984 1 123 HIS H 1 124 LYS H . . 3.820 2.902 2.663 3.295 . 0 0 "[ . 1 . 2]" 1
1985 1 123 HIS HA 1 126 ALA H . . 3.990 3.499 3.126 3.985 . 0 0 "[ . 1 . 2]" 1
1986 1 123 HIS HA 1 126 ALA MB . . 3.850 2.327 1.990 2.878 . 0 0 "[ . 1 . 2]" 1
1987 1 123 HIS HA 1 127 LYS H . . 4.650 4.417 4.148 4.655 0.005 19 0 "[ . 1 . 2]" 1
1988 1 123 HIS HB2 1 124 LYS H . . 4.260 3.742 3.460 3.969 . 0 0 "[ . 1 . 2]" 1
1989 1 123 HIS HB3 1 124 LYS H . . 3.960 2.357 1.944 2.774 . 0 0 "[ . 1 . 2]" 1
1990 1 123 HIS HB3 1 124 LYS QB . . 5.320 4.375 3.977 4.683 . 0 0 "[ . 1 . 2]" 1
1991 1 123 HIS HE1 1 127 LYS QD . . 4.910 3.610 2.014 4.826 . 0 0 "[ . 1 . 2]" 1
1992 1 124 LYS H 1 124 LYS HB2 . . 3.790 2.309 2.176 2.522 . 0 0 "[ . 1 . 2]" 1
1993 1 124 LYS H 1 124 LYS QB . . 3.260 2.281 2.155 2.476 . 0 0 "[ . 1 . 2]" 1
1994 1 124 LYS H 1 124 LYS HB3 . . 3.790 3.552 3.483 3.610 . 0 0 "[ . 1 . 2]" 1
1995 1 124 LYS H 1 124 LYS QD . . 4.460 3.688 2.006 4.459 . 0 0 "[ . 1 . 2]" 1
1996 1 124 LYS H 1 124 LYS QE . . 5.500 4.510 1.921 5.321 . 0 0 "[ . 1 . 2]" 1
1997 1 124 LYS H 1 124 LYS HG2 . . 4.310 3.187 2.203 4.149 . 0 0 "[ . 1 . 2]" 1
1998 1 124 LYS H 1 124 LYS QG . . 3.640 2.758 2.183 3.544 . 0 0 "[ . 1 . 2]" 1
1999 1 124 LYS H 1 124 LYS HG3 . . 4.310 3.371 2.601 3.878 . 0 0 "[ . 1 . 2]" 1
2000 1 124 LYS H 1 125 ALA H . . 3.620 2.933 2.609 3.195 . 0 0 "[ . 1 . 2]" 1
2001 1 124 LYS HA 1 124 LYS QD . . 3.750 2.848 2.018 3.888 0.138 9 0 "[ . 1 . 2]" 1
2002 1 124 LYS HA 1 124 LYS QE . . 4.940 3.986 2.431 4.664 . 0 0 "[ . 1 . 2]" 1
2003 1 124 LYS HA 1 124 LYS HG2 . . 3.860 2.711 2.160 3.615 . 0 0 "[ . 1 . 2]" 1
2004 1 124 LYS HA 1 124 LYS QG . . 3.390 2.382 2.124 2.762 . 0 0 "[ . 1 . 2]" 1
2005 1 124 LYS HA 1 124 LYS HG3 . . 3.860 3.185 2.229 3.724 . 0 0 "[ . 1 . 2]" 1
2006 1 124 LYS HA 1 127 LYS QG . . 4.020 3.316 2.760 3.994 . 0 0 "[ . 1 . 2]" 1
2007 1 124 LYS QB 1 124 LYS QD . . 3.140 2.220 2.017 2.531 . 0 0 "[ . 1 . 2]" 1
2008 1 124 LYS QB 1 124 LYS QE . . 4.330 3.269 2.034 3.761 . 0 0 "[ . 1 . 2]" 1
2009 1 124 LYS QB 1 125 ALA H . . 3.470 2.470 2.244 2.774 . 0 0 "[ . 1 . 2]" 1
2010 1 124 LYS QB 1 125 ALA HA . . 4.990 3.811 3.747 3.953 . 0 0 "[ . 1 . 2]" 1
2011 1 124 LYS QB 1 125 ALA MB . . 3.810 3.698 3.578 3.833 0.023 7 0 "[ . 1 . 2]" 1
2012 1 124 LYS HB2 1 124 LYS QD . . 3.680 2.894 2.048 3.450 . 0 0 "[ . 1 . 2]" 1
2013 1 124 LYS HB2 1 125 ALA H . . 4.080 2.587 2.298 2.946 . 0 0 "[ . 1 . 2]" 1
2014 1 124 LYS HB2 1 125 ALA MB . . 4.510 4.049 3.827 4.231 . 0 0 "[ . 1 . 2]" 1
2015 1 124 LYS HB3 1 124 LYS QD . . 3.680 2.521 2.133 3.311 . 0 0 "[ . 1 . 2]" 1
2016 1 124 LYS HB3 1 125 ALA H . . 4.080 3.145 2.880 3.550 . 0 0 "[ . 1 . 2]" 1
2017 1 124 LYS HB3 1 125 ALA MB . . 4.510 4.283 4.114 4.463 . 0 0 "[ . 1 . 2]" 1
2018 1 124 LYS QD 1 125 ALA H . . 5.500 4.685 4.178 5.338 . 0 0 "[ . 1 . 2]" 1
2019 1 124 LYS QG 1 125 ALA H . . 5.240 4.246 4.004 4.582 . 0 0 "[ . 1 . 2]" 1
2020 1 125 ALA H 1 125 ALA MB . . 3.180 2.151 2.032 2.238 . 0 0 "[ . 1 . 2]" 1
2021 1 125 ALA H 1 126 ALA H . . 3.870 2.660 2.294 2.911 . 0 0 "[ . 1 . 2]" 1
2022 1 125 ALA HA 1 126 ALA MB . . 5.490 4.986 4.934 5.021 . 0 0 "[ . 1 . 2]" 1
2023 1 125 ALA HA 1 127 LYS H . . 5.130 4.029 3.666 4.636 . 0 0 "[ . 1 . 2]" 1
2024 1 125 ALA HA 1 128 LEU HB2 . . 4.220 3.204 2.268 3.936 . 0 0 "[ . 1 . 2]" 1
2025 1 125 ALA HA 1 128 LEU HB3 . . 5.500 4.826 3.841 5.504 0.004 19 0 "[ . 1 . 2]" 1
2026 1 125 ALA HA 1 128 LEU MD1 . . 4.270 2.945 2.038 4.313 0.043 11 0 "[ . 1 . 2]" 1
2027 1 125 ALA MB 1 126 ALA H . . 3.170 2.591 2.291 2.944 . 0 0 "[ . 1 . 2]" 1
2028 1 125 ALA MB 1 126 ALA HA . . 4.540 3.762 3.596 3.931 . 0 0 "[ . 1 . 2]" 1
2029 1 125 ALA MB 1 128 LEU H . . 5.480 4.515 4.057 5.077 . 0 0 "[ . 1 . 2]" 1
2030 1 126 ALA H 1 126 ALA MB . . 3.220 2.148 2.026 2.248 . 0 0 "[ . 1 . 2]" 1
2031 1 126 ALA H 1 127 LYS H . . 3.810 2.838 2.499 3.085 . 0 0 "[ . 1 . 2]" 1
2032 1 126 ALA H 1 128 LEU H . . 5.180 4.523 4.068 4.838 . 0 0 "[ . 1 . 2]" 1
2033 1 126 ALA H 1 129 LEU MD1 . . 5.500 4.471 3.751 5.182 . 0 0 "[ . 1 . 2]" 1
2034 1 126 ALA HA 1 128 LEU H . . 4.860 4.488 3.521 4.863 0.003 3 0 "[ . 1 . 2]" 1
2035 1 126 ALA HA 1 129 LEU H . . 4.500 3.552 3.160 3.894 . 0 0 "[ . 1 . 2]" 1
2036 1 126 ALA HA 1 129 LEU QB . . 4.040 2.947 2.412 4.054 0.014 7 0 "[ . 1 . 2]" 1
2037 1 126 ALA HA 1 129 LEU MD1 . . 3.880 2.466 1.777 3.206 . 0 0 "[ . 1 . 2]" 1
2038 1 126 ALA HA 1 129 LEU HG . . 4.750 3.569 2.011 4.567 . 0 0 "[ . 1 . 2]" 1
2039 1 126 ALA HA 1 130 TYR QE . . 4.610 4.069 3.316 4.406 . 0 0 "[ . 1 . 2]" 1
2040 1 126 ALA MB 1 127 LYS H . . 3.460 2.706 2.390 3.043 . 0 0 "[ . 1 . 2]" 1
2041 1 126 ALA MB 1 127 LYS HA . . 3.850 3.796 3.694 3.914 0.064 16 0 "[ . 1 . 2]" 1
2042 1 126 ALA MB 1 130 TYR QD . . 4.410 4.102 3.106 4.425 0.015 16 0 "[ . 1 . 2]" 1
2043 1 126 ALA MB 1 130 TYR QE . . 3.810 2.667 2.106 3.400 . 0 0 "[ . 1 . 2]" 1
2044 1 127 LYS H 1 127 LYS QB . . 3.170 2.346 2.222 2.612 . 0 0 "[ . 1 . 2]" 1
2045 1 127 LYS H 1 127 LYS QD . . 4.500 3.973 3.128 4.501 0.001 6 0 "[ . 1 . 2]" 1
2046 1 127 LYS H 1 127 LYS HG2 . . 4.070 3.185 1.892 3.951 . 0 0 "[ . 1 . 2]" 1
2047 1 127 LYS H 1 127 LYS QG . . 3.350 2.448 1.884 2.698 . 0 0 "[ . 1 . 2]" 1
2048 1 127 LYS H 1 127 LYS HG3 . . 4.070 2.878 2.134 3.686 . 0 0 "[ . 1 . 2]" 1
2049 1 127 LYS H 1 128 LEU H . . 3.300 2.782 2.377 3.181 . 0 0 "[ . 1 . 2]" 1
2050 1 127 LYS H 1 128 LEU HB2 . . 4.990 4.674 4.283 4.972 . 0 0 "[ . 1 . 2]" 1
2051 1 127 LYS HA 1 127 LYS QD . . 4.120 3.513 1.982 4.185 0.065 2 0 "[ . 1 . 2]" 1
2052 1 127 LYS HA 1 127 LYS QE . . 5.040 4.271 2.045 4.803 . 0 0 "[ . 1 . 2]" 1
2053 1 127 LYS HA 1 127 LYS QG . . 3.560 2.453 2.182 3.339 . 0 0 "[ . 1 . 2]" 1
2054 1 127 LYS HA 1 129 LEU H . . 4.830 4.379 3.870 4.837 0.007 7 0 "[ . 1 . 2]" 1
2055 1 127 LYS HA 1 130 TYR H . . 5.010 3.730 3.354 4.041 . 0 0 "[ . 1 . 2]" 1
2056 1 127 LYS HA 1 130 TYR QD . . 4.420 3.414 2.621 3.870 . 0 0 "[ . 1 . 2]" 1
2057 1 127 LYS HA 1 130 TYR QE . . 5.000 4.075 2.537 5.003 0.003 7 0 "[ . 1 . 2]" 1
2058 1 127 LYS HA 1 131 GLU H . . 4.240 3.366 2.957 3.858 . 0 0 "[ . 1 . 2]" 1
2059 1 127 LYS QB 1 127 LYS QD . . 3.460 2.153 2.019 2.465 . 0 0 "[ . 1 . 2]" 1
2060 1 127 LYS QB 1 128 LEU H . . 3.460 2.532 2.256 3.463 0.003 2 0 "[ . 1 . 2]" 1
2061 1 127 LYS QB 1 128 LEU HA . . 4.560 3.845 3.713 4.292 . 0 0 "[ . 1 . 2]" 1
2062 1 127 LYS QB 1 131 GLU H . . 5.500 4.216 3.770 4.845 . 0 0 "[ . 1 . 2]" 1
2063 1 127 LYS QG 1 128 LEU H . . 5.340 4.057 2.173 4.407 . 0 0 "[ . 1 . 2]" 1
2064 1 128 LEU H 1 128 LEU HB2 . . 3.060 2.300 2.167 2.435 . 0 0 "[ . 1 . 2]" 1
2065 1 128 LEU H 1 128 LEU HB3 . . 3.760 3.546 3.474 3.596 . 0 0 "[ . 1 . 2]" 1
2066 1 128 LEU H 1 128 LEU MD1 . . 4.330 3.577 3.239 4.165 . 0 0 "[ . 1 . 2]" 1
2067 1 128 LEU H 1 128 LEU MD2 . . 4.230 3.644 1.868 4.069 . 0 0 "[ . 1 . 2]" 1
2068 1 128 LEU H 1 128 LEU HG . . 3.830 2.769 2.423 3.801 . 0 0 "[ . 1 . 2]" 1
2069 1 128 LEU H 1 129 LEU H . . 3.480 2.778 2.405 3.086 . 0 0 "[ . 1 . 2]" 1
2070 1 128 LEU H 1 131 GLU H . . 5.500 4.917 4.668 5.138 . 0 0 "[ . 1 . 2]" 1
2071 1 128 LEU HA 1 128 LEU MD1 . . 3.880 3.710 2.301 3.887 0.007 7 0 "[ . 1 . 2]" 1
2072 1 128 LEU HA 1 128 LEU MD2 . . 3.070 2.180 2.000 2.426 . 0 0 "[ . 1 . 2]" 1
2073 1 128 LEU HA 1 128 LEU HG . . 3.650 2.837 2.658 3.705 0.055 11 0 "[ . 1 . 2]" 1
2074 1 128 LEU HA 1 131 GLU H . . 4.650 4.223 3.706 4.656 0.006 3 0 "[ . 1 . 2]" 1
2075 1 128 LEU HB2 1 128 LEU MD1 . . 3.350 2.287 2.074 3.162 . 0 0 "[ . 1 . 2]" 1
2076 1 128 LEU HB2 1 129 LEU H . . 3.180 2.699 2.406 3.022 . 0 0 "[ . 1 . 2]" 1
2077 1 128 LEU HB3 1 128 LEU MD1 . . 3.300 2.440 1.995 2.651 . 0 0 "[ . 1 . 2]" 1
2078 1 128 LEU HB3 1 128 LEU MD2 . . 3.170 2.347 2.117 3.184 0.014 11 0 "[ . 1 . 2]" 1
2079 1 128 LEU HB3 1 129 LEU H . . 3.920 3.362 3.117 3.704 . 0 0 "[ . 1 . 2]" 1
2080 1 128 LEU HG 1 129 LEU H . . 5.140 4.710 4.466 5.115 . 0 0 "[ . 1 . 2]" 1
2081 1 129 LEU H 1 129 LEU HB2 . . 3.700 2.323 2.164 3.485 . 0 0 "[ . 1 . 2]" 1
2082 1 129 LEU H 1 129 LEU QB . . 3.060 2.266 2.144 2.845 . 0 0 "[ . 1 . 2]" 1
2083 1 129 LEU H 1 129 LEU HB3 . . 3.700 3.501 3.016 3.607 . 0 0 "[ . 1 . 2]" 1
2084 1 129 LEU H 1 129 LEU MD1 . . 4.290 3.645 3.218 3.883 . 0 0 "[ . 1 . 2]" 1
2085 1 129 LEU H 1 129 LEU MD2 . . 4.470 3.737 1.967 4.071 . 0 0 "[ . 1 . 2]" 1
2086 1 129 LEU H 1 129 LEU HG . . 3.630 2.726 2.023 2.988 . 0 0 "[ . 1 . 2]" 1
2087 1 129 LEU HA 1 129 LEU MD2 . . 3.260 2.304 2.030 3.266 0.006 7 0 "[ . 1 . 2]" 1
2088 1 129 LEU HA 1 129 LEU HG . . 3.790 2.791 2.480 3.672 . 0 0 "[ . 1 . 2]" 1
2089 1 129 LEU QB 1 129 LEU MD2 . . 3.190 2.158 1.997 2.288 . 0 0 "[ . 1 . 2]" 1
2090 1 129 LEU QB 1 130 TYR H . . 3.760 2.441 2.176 3.488 . 0 0 "[ . 1 . 2]" 1
2091 1 129 LEU QB 1 130 TYR QD . . 4.020 2.664 2.230 3.262 . 0 0 "[ . 1 . 2]" 1
2092 1 129 LEU HB2 1 129 LEU MD1 . . 3.200 2.259 1.981 2.427 . 0 0 "[ . 1 . 2]" 1
2093 1 129 LEU HB2 1 130 TYR H . . 4.310 2.575 2.224 3.682 . 0 0 "[ . 1 . 2]" 1
2094 1 129 LEU HB2 1 130 TYR QD . . 4.740 3.366 2.323 3.828 . 0 0 "[ . 1 . 2]" 1
2095 1 129 LEU HB3 1 129 LEU MD1 . . 3.200 2.405 2.225 2.685 . 0 0 "[ . 1 . 2]" 1
2096 1 129 LEU HB3 1 130 TYR H . . 4.310 3.054 2.772 4.320 0.010 7 0 "[ . 1 . 2]" 1
2097 1 129 LEU HB3 1 130 TYR QD . . 4.740 2.922 2.608 4.562 . 0 0 "[ . 1 . 2]" 1
2098 1 129 LEU MD1 1 130 TYR H . . 4.820 4.271 3.886 4.796 . 0 0 "[ . 1 . 2]" 1
2099 1 129 LEU MD1 1 130 TYR QD . . 4.130 3.892 2.844 4.136 0.006 2 0 "[ . 1 . 2]" 1
2100 1 129 LEU MD2 1 130 TYR H . . 5.090 4.468 3.780 4.637 . 0 0 "[ . 1 . 2]" 1
2101 1 129 LEU MD2 1 130 TYR QD . . 4.430 4.354 3.984 4.451 0.021 19 0 "[ . 1 . 2]" 1
2102 1 130 TYR H 1 130 TYR QB . . 3.540 2.752 2.271 2.972 . 0 0 "[ . 1 . 2]" 1
2103 1 130 TYR H 1 130 TYR QD . . 4.110 2.660 2.191 3.027 . 0 0 "[ . 1 . 2]" 1
2104 1 130 TYR H 1 131 GLU H . . 3.530 2.608 2.374 2.829 . 0 0 "[ . 1 . 2]" 1
2105 1 130 TYR HA 1 130 TYR QD . . 3.630 2.674 2.272 3.688 0.058 16 0 "[ . 1 . 2]" 1
2106 1 130 TYR HA 1 131 GLU HA . . 5.160 4.760 4.557 4.910 . 0 0 "[ . 1 . 2]" 1
2107 1 130 TYR QB 1 131 GLU H . . 3.360 2.289 2.063 3.070 . 0 0 "[ . 1 . 2]" 1
2108 1 130 TYR QD 1 131 GLU H . . 4.170 3.460 2.281 4.247 0.077 7 0 "[ . 1 . 2]" 1
2109 1 130 TYR QD 1 131 GLU HG2 . . 5.050 4.147 2.557 5.050 0.000 7 0 "[ . 1 . 2]" 1
2110 1 130 TYR QD 1 131 GLU QG . . 4.210 3.588 1.973 4.210 . 0 0 "[ . 1 . 2]" 1
2111 1 130 TYR QD 1 131 GLU HG3 . . 5.050 4.247 2.001 5.053 0.003 2 0 "[ . 1 . 2]" 1
2112 1 131 GLU H 1 131 GLU HB2 . . 3.680 2.534 2.267 2.657 . 0 0 "[ . 1 . 2]" 1
2113 1 131 GLU H 1 131 GLU QB . . 3.030 2.486 2.242 2.593 . 0 0 "[ . 1 . 2]" 1
2114 1 131 GLU H 1 131 GLU HB3 . . 3.680 3.611 3.541 3.720 0.040 7 0 "[ . 1 . 2]" 1
2115 1 131 GLU H 1 131 GLU HG2 . . 4.080 2.735 1.964 3.479 . 0 0 "[ . 1 . 2]" 1
2116 1 131 GLU H 1 131 GLU QG . . 3.500 2.293 1.947 2.716 . 0 0 "[ . 1 . 2]" 1
2117 1 131 GLU H 1 131 GLU HG3 . . 4.080 2.859 2.135 3.803 . 0 0 "[ . 1 . 2]" 1
2118 1 131 GLU HA 1 131 GLU HG2 . . 4.010 2.557 2.199 2.821 . 0 0 "[ . 1 . 2]" 1
2119 1 131 GLU HA 1 131 GLU QG . . 3.400 2.500 2.163 2.748 . 0 0 "[ . 1 . 2]" 1
2120 1 131 GLU HA 1 131 GLU HG3 . . 4.010 3.535 3.209 3.819 . 0 0 "[ . 1 . 2]" 1
2121 1 131 GLU HA 1 132 SER H . . 3.440 2.801 2.244 3.528 0.088 11 0 "[ . 1 . 2]" 1
2122 1 131 GLU HA 1 132 SER HA . . 5.460 4.541 4.298 5.330 . 0 0 "[ . 1 . 2]" 1
2123 1 131 GLU QB 1 132 SER H . . 3.390 2.530 2.039 2.970 . 0 0 "[ . 1 . 2]" 1
2124 1 131 GLU HB2 1 132 SER H . . 3.950 3.327 2.644 3.928 . 0 0 "[ . 1 . 2]" 1
2125 1 131 GLU HB3 1 132 SER H . . 3.950 2.891 2.064 3.956 0.006 10 0 "[ . 1 . 2]" 1
2126 1 131 GLU QG 1 132 SER H . . 4.520 4.109 3.623 4.406 . 0 0 "[ . 1 . 2]" 1
2127 1 131 GLU HG2 1 132 SER H . . 5.200 4.464 3.739 5.023 . 0 0 "[ . 1 . 2]" 1
2128 1 131 GLU HG3 1 132 SER H . . 5.200 4.883 4.590 5.226 0.026 19 0 "[ . 1 . 2]" 1
2129 1 132 SER H 1 132 SER QB . . 3.320 2.638 2.174 3.194 . 0 0 "[ . 1 . 2]" 1
2130 1 132 SER HA 1 133 ARG QD . . 4.500 3.982 2.723 4.510 0.010 11 0 "[ . 1 . 2]" 1
2131 1 132 SER HA 1 133 ARG QG . . 4.570 3.965 2.895 4.584 0.014 11 0 "[ . 1 . 2]" 1
2132 1 132 SER QB 1 133 ARG H . . 4.240 3.142 2.207 3.981 . 0 0 "[ . 1 . 2]" 1
2133 1 133 ARG H 1 133 ARG HB2 . . 3.860 2.995 2.335 3.864 0.004 6 0 "[ . 1 . 2]" 1
2134 1 133 ARG H 1 133 ARG QB . . 3.390 2.660 2.306 3.412 0.022 6 0 "[ . 1 . 2]" 1
2135 1 133 ARG H 1 133 ARG HB3 . . 3.860 3.468 2.364 3.900 0.040 19 0 "[ . 1 . 2]" 1
2136 1 133 ARG H 1 133 ARG QD . . 4.830 3.105 1.889 4.128 . 0 0 "[ . 1 . 2]" 1
2137 1 133 ARG H 1 133 ARG QG . . 3.660 2.813 1.916 3.565 . 0 0 "[ . 1 . 2]" 1
2138 1 133 ARG H 1 134 ASP H . . 4.630 4.387 3.159 4.649 0.019 5 0 "[ . 1 . 2]" 1
2139 1 133 ARG HA 1 133 ARG QD . . 4.150 3.277 2.077 4.172 0.022 17 0 "[ . 1 . 2]" 1
2140 1 133 ARG HA 1 133 ARG QG . . 3.590 2.889 2.245 3.450 . 0 0 "[ . 1 . 2]" 1
2141 1 133 ARG HA 1 134 ASP H . . 3.500 2.312 2.140 2.616 . 0 0 "[ . 1 . 2]" 1
2142 1 133 ARG QB 1 133 ARG QD . . 3.220 2.308 2.023 2.814 . 0 0 "[ . 1 . 2]" 1
2143 1 133 ARG HB2 1 133 ARG QD . . 3.870 2.836 2.077 3.498 . 0 0 "[ . 1 . 2]" 1
2144 1 133 ARG HB2 1 134 ASP H . . 4.360 3.531 2.276 4.357 . 0 0 "[ . 1 . 2]" 1
2145 1 133 ARG HB3 1 133 ARG QD . . 3.870 2.800 2.058 3.513 . 0 0 "[ . 1 . 2]" 1
2146 1 133 ARG HB3 1 134 ASP H . . 4.360 3.310 2.057 4.409 0.049 19 0 "[ . 1 . 2]" 1
2147 1 134 ASP H 1 134 ASP HB2 . . 3.750 2.886 2.177 3.704 . 0 0 "[ . 1 . 2]" 1
2148 1 134 ASP H 1 134 ASP HB3 . . 3.750 3.151 2.467 3.650 . 0 0 "[ . 1 . 2]" 1
2149 1 134 ASP QB 1 135 GLN H . . 4.290 3.109 2.215 3.968 . 0 0 "[ . 1 . 2]" 1
2150 1 134 ASP HB2 1 135 GLN H . . 4.980 3.529 2.265 4.571 . 0 0 "[ . 1 . 2]" 1
2151 1 134 ASP HB3 1 135 GLN H . . 4.980 3.746 2.245 4.608 . 0 0 "[ . 1 . 2]" 1
2152 1 135 GLN H 1 135 GLN QB . . 3.480 2.435 2.147 3.094 . 0 0 "[ . 1 . 2]" 1
2153 1 135 GLN H 1 135 GLN QG . . 4.170 3.210 1.914 4.120 . 0 0 "[ . 1 . 2]" 1
2154 1 135 GLN HA 1 135 GLN QG . . 3.770 2.893 2.189 3.339 . 0 0 "[ . 1 . 2]" 1
2155 1 135 GLN QG 1 136 SER H . . 5.490 3.354 1.866 4.745 . 0 0 "[ . 1 . 2]" 1
2156 1 136 SER H 1 137 GLY H . . 4.940 3.744 2.168 4.578 . 0 0 "[ . 1 . 2]" 1
2157 1 136 SER QB 1 137 GLY H . . 4.590 3.064 2.203 3.907 . 0 0 "[ . 1 . 2]" 1
2158 1 137 GLY HA2 1 138 PRO QD . . 3.490 2.320 1.949 3.471 . 0 0 "[ . 1 . 2]" 1
2159 1 137 GLY HA3 1 138 PRO QD . . 3.490 2.805 1.887 3.458 . 0 0 "[ . 1 . 2]" 1
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