NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
438910 |
2k5o   |
15845 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k5o
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 1401
_Distance_constraint_stats_list.Viol_count 3178
_Distance_constraint_stats_list.Viol_total 5708.137
_Distance_constraint_stats_list.Viol_max 0.935
_Distance_constraint_stats_list.Viol_rms 0.0443
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0102
_Distance_constraint_stats_list.Viol_average_violations_only 0.0898
_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 2 SER 2.500 0.502 12 1 "[ . 1 + . 2]"
1 3 VAL 4.424 0.502 12 1 "[ . 1 + . 2]"
1 4 VAL 8.468 0.732 7 3 "[ . +* 1 - 2]"
1 5 GLY 0.647 0.092 10 0 "[ . 1 . 2]"
1 6 GLY 2.560 0.732 7 3 "[ . +* 1 - 2]"
1 7 LEU 3.367 0.532 18 1 "[ . 1 . + 2]"
1 8 GLY 3.345 0.532 18 1 "[ . 1 . + 2]"
1 9 GLY 1.056 0.125 2 0 "[ . 1 . 2]"
1 10 TYR 8.460 0.126 4 0 "[ . 1 . 2]"
1 11 MET 3.532 0.118 17 0 "[ . 1 . 2]"
1 12 LEU 0.564 0.097 4 0 "[ . 1 . 2]"
1 13 GLY 0.374 0.082 16 0 "[ . 1 . 2]"
1 14 SER 1.640 0.099 11 0 "[ . 1 . 2]"
1 15 ALA 4.083 0.138 20 0 "[ . 1 . 2]"
1 16 MET 5.332 0.746 20 1 "[ . 1 . +]"
1 17 SER 3.166 0.515 20 1 "[ . 1 . +]"
1 18 ARG 1.217 0.384 18 0 "[ . 1 . 2]"
1 19 PRO 0.990 0.406 4 0 "[ . 1 . 2]"
1 20 MET 2.733 0.520 12 1 "[ . 1 + . 2]"
1 21 ILE 2.198 0.107 9 0 "[ . 1 . 2]"
1 22 HIS 4.117 0.107 9 0 "[ . 1 . 2]"
1 23 PHE 4.976 0.128 11 0 "[ . 1 . 2]"
1 24 GLY 0.810 0.079 16 0 "[ . 1 . 2]"
1 25 ASN 2.735 0.217 20 0 "[ . 1 . 2]"
1 26 ASP 5.977 0.113 5 0 "[ . 1 . 2]"
1 27 TRP 5.849 0.217 20 0 "[ . 1 . 2]"
1 28 GLU 0.695 0.089 10 0 "[ . 1 . 2]"
1 29 ASP 0.579 0.083 17 0 "[ . 1 . 2]"
1 30 ARG 13.953 0.764 16 2 "[ . 1 -.+ 2]"
1 31 TYR 9.455 0.710 12 1 "[ . 1 + . 2]"
1 32 TYR 6.556 0.134 8 0 "[ . 1 . 2]"
1 33 ARG 19.302 0.935 1 10 "[+* * * 1* *-*** 2]"
1 34 GLU 14.197 0.935 1 7 "[+ * * 1* * * * 2]"
1 35 ASN 2.889 0.710 12 1 "[ . 1 + . 2]"
1 36 MET 8.407 0.520 12 1 "[ . 1 + . 2]"
1 37 TYR 4.994 0.711 20 2 "[ . 1 . - +]"
1 38 ARG 6.014 0.711 20 2 "[ . 1 . - +]"
1 39 TYR 4.739 0.124 2 0 "[ . 1 . 2]"
1 40 PRO 3.593 0.775 17 2 "[ . - 1 . + 2]"
1 41 ASN 1.359 0.284 12 0 "[ . 1 . 2]"
1 42 GLN 3.721 0.284 12 0 "[ . 1 . 2]"
1 43 VAL 0.719 0.092 9 0 "[ . 1 . 2]"
1 44 TYR 2.725 0.114 16 0 "[ . 1 . 2]"
1 45 TYR 10.187 0.505 11 1 "[ . 1+ . 2]"
1 46 ARG 2.800 0.086 1 0 "[ . 1 . 2]"
1 47 PRO 1.164 0.097 11 0 "[ . 1 . 2]"
1 48 VAL 2.533 0.100 6 0 "[ . 1 . 2]"
1 49 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 GLN 1.068 0.178 5 0 "[ . 1 . 2]"
1 51 TYR 2.308 0.086 1 0 "[ . 1 . 2]"
1 52 ASN 0.164 0.085 17 0 "[ . 1 . 2]"
1 53 ASN 13.852 0.838 7 4 "[ - . + *1 . * 2]"
1 54 GLN 12.643 0.838 7 7 "[*** . + *1* . * 2]"
1 55 ASN 7.818 0.812 2 5 "[*+ . - *1* . 2]"
1 56 ASN 6.735 0.390 16 0 "[ . 1 . 2]"
1 57 PHE 5.488 0.110 12 0 "[ . 1 . 2]"
1 58 VAL 2.074 0.108 19 0 "[ . 1 . 2]"
1 59 HIS 6.718 0.108 19 0 "[ . 1 . 2]"
1 60 ASP 3.778 0.091 19 0 "[ . 1 . 2]"
1 61 CYS 2.083 0.088 17 0 "[ . 1 . 2]"
1 62 VAL 1.017 0.093 19 0 "[ . 1 . 2]"
1 63 ASN 6.150 0.111 16 0 "[ . 1 . 2]"
1 64 ILE 7.783 0.476 8 0 "[ . 1 . 2]"
1 65 THR 4.275 0.775 17 2 "[ . - 1 . + 2]"
1 66 ILE 4.458 0.131 11 0 "[ . 1 . 2]"
1 67 LYS 3.580 0.110 4 0 "[ . 1 . 2]"
1 68 GLN 2.581 0.336 12 0 "[ . 1 . 2]"
1 69 HIS 4.336 0.131 11 0 "[ . 1 . 2]"
1 70 THR 7.977 0.119 13 0 "[ . 1 . 2]"
1 71 VAL 9.505 0.119 13 0 "[ . 1 . 2]"
1 72 THR 5.914 0.094 15 0 "[ . 1 . 2]"
1 73 THR 7.326 0.137 18 0 "[ . 1 . 2]"
1 74 THR 6.356 0.138 18 0 "[ . 1 . 2]"
1 75 THR 6.226 0.124 1 0 "[ . 1 . 2]"
1 76 LYS 3.119 0.124 1 0 "[ . 1 . 2]"
1 77 GLY 0.660 0.084 17 0 "[ . 1 . 2]"
1 78 GLU 11.067 0.866 11 9 "[ * .* **1+** *- 2]"
1 79 ASN 6.140 0.449 2 0 "[ . 1 . 2]"
1 80 PHE 5.004 0.138 18 0 "[ . 1 . 2]"
1 81 THR 1.194 0.081 10 0 "[ . 1 . 2]"
1 82 GLU 5.397 0.587 4 1 "[ +. 1 . 2]"
1 83 THR 3.864 0.587 4 1 "[ +. 1 . 2]"
1 84 ASP 0.130 0.059 8 0 "[ . 1 . 2]"
1 85 VAL 4.421 0.787 2 1 "[ + . 1 . 2]"
1 86 LYS 3.152 0.787 2 2 "[ + . 1 . -2]"
1 87 MET 6.176 0.120 3 0 "[ . 1 . 2]"
1 88 MET 6.557 0.119 15 0 "[ . 1 . 2]"
1 89 GLU 3.935 0.541 19 1 "[ . 1 . +2]"
1 90 ARG 7.217 0.596 11 1 "[ . 1+ . 2]"
1 91 VAL 3.465 0.117 19 0 "[ . 1 . 2]"
1 92 VAL 1.643 0.114 20 0 "[ . 1 . 2]"
1 93 GLU 0.077 0.077 11 0 "[ . 1 . 2]"
1 94 GLN 0.239 0.079 11 0 "[ . 1 . 2]"
1 95 MET 6.742 0.406 4 0 "[ . 1 . 2]"
1 96 CYS 4.375 0.115 18 0 "[ . 1 . 2]"
1 97 VAL 2.936 0.094 13 0 "[ . 1 . 2]"
1 98 THR 6.382 0.138 18 0 "[ . 1 . 2]"
1 99 GLN 8.493 0.574 8 1 "[ . + 1 . 2]"
1 100 TYR 7.769 0.574 8 1 "[ . + 1 . 2]"
1 101 GLN 10.457 0.799 2 1 "[ + . 1 . 2]"
1 102 LYS 1.680 0.138 18 0 "[ . 1 . 2]"
1 103 GLU 7.281 0.505 11 1 "[ . 1+ . 2]"
1 104 SER 4.699 0.799 2 1 "[ + . 1 . 2]"
1 105 GLN 2.729 0.243 12 0 "[ . 1 . 2]"
1 106 ALA 1.283 0.092 10 0 "[ . 1 . 2]"
1 107 TYR 5.401 0.113 19 0 "[ . 1 . 2]"
1 108 TYR 4.693 0.107 20 0 "[ . 1 . 2]"
1 109 ASP 3.504 0.116 18 0 "[ . 1 . 2]"
1 110 GLY 1.957 0.116 18 0 "[ . 1 . 2]"
1 111 ARG 3.309 0.341 15 0 "[ . 1 . 2]"
1 112 ARG 3.193 0.372 18 0 "[ . 1 . 2]"
1 113 SER 1.965 0.255 14 0 "[ . 1 . 2]"
1 114 SER 0.138 0.063 18 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 SER H 1 3 VAL H . . 4.080 3.684 2.231 4.582 0.502 12 1 "[ . 1 + . 2]" 1
2 1 2 SER HA 1 3 VAL H . . 3.010 2.386 2.203 2.841 . 0 0 "[ . 1 . 2]" 1
3 1 2 SER QB 1 3 VAL H . . 4.070 3.353 2.414 4.046 . 0 0 "[ . 1 . 2]" 1
4 1 2 SER QB 1 3 VAL HA . . 4.340 4.291 4.072 4.433 0.093 7 0 "[ . 1 . 2]" 1
5 1 3 VAL H 1 3 VAL HB . . 3.550 3.486 2.603 3.646 0.096 18 0 "[ . 1 . 2]" 1
6 1 3 VAL H 1 3 VAL MG1 . . 3.850 3.078 2.114 4.042 0.192 20 0 "[ . 1 . 2]" 1
7 1 3 VAL HA 1 4 VAL H . . 2.860 2.490 2.172 2.832 . 0 0 "[ . 1 . 2]" 1
8 1 3 VAL HB 1 5 GLY QA . . 4.880 4.555 4.095 4.972 0.092 10 0 "[ . 1 . 2]" 1
9 1 3 VAL MG2 1 4 VAL H . . 5.170 3.786 3.021 4.461 . 0 0 "[ . 1 . 2]" 1
10 1 4 VAL H 1 4 VAL HB . . 3.260 2.560 2.171 3.351 0.091 18 0 "[ . 1 . 2]" 1
11 1 4 VAL H 1 4 VAL MG1 . . 3.570 3.691 2.687 3.958 0.388 7 0 "[ . 1 . 2]" 1
12 1 4 VAL H 1 5 GLY H . . 3.570 2.798 2.055 3.648 0.078 8 0 "[ . 1 . 2]" 1
13 1 4 VAL HA 1 6 GLY H . . 4.090 4.064 3.816 4.166 0.076 20 0 "[ . 1 . 2]" 1
14 1 4 VAL HB 1 5 GLY H . . 4.520 2.701 2.039 4.550 0.030 15 0 "[ . 1 . 2]" 1
15 1 4 VAL HB 1 5 GLY QA . . 4.740 4.297 3.817 4.827 0.087 15 0 "[ . 1 . 2]" 1
16 1 4 VAL MG1 1 5 GLY H . . 4.140 3.150 2.015 4.044 . 0 0 "[ . 1 . 2]" 1
17 1 4 VAL MG1 1 5 GLY QA . . 5.070 3.912 3.455 5.123 0.053 18 0 "[ . 1 . 2]" 1
18 1 4 VAL MG1 1 7 LEU QB . . 4.490 2.255 1.873 4.005 . 0 0 "[ . 1 . 2]" 1
19 1 4 VAL MG1 1 7 LEU QD . . 3.970 2.391 1.956 3.140 . 0 0 "[ . 1 . 2]" 1
20 1 4 VAL MG1 1 64 ILE MG . . 5.110 4.733 3.745 5.586 0.476 8 0 "[ . 1 . 2]" 1
21 1 4 VAL MG1 1 68 GLN QE . . 5.000 3.018 1.740 5.336 0.336 12 0 "[ . 1 . 2]" 1
22 1 4 VAL MG2 1 6 GLY H . . 5.170 4.967 4.004 5.902 0.732 7 3 "[ . +* 1 - 2]" 1
23 1 4 VAL MG2 1 7 LEU QB . . 4.650 3.531 2.711 4.560 . 0 0 "[ . 1 . 2]" 1
24 1 4 VAL MG2 1 7 LEU QD . . 4.020 2.609 1.999 3.537 . 0 0 "[ . 1 . 2]" 1
25 1 4 VAL MG2 1 64 ILE MG . . 5.500 5.235 3.474 5.635 0.135 10 0 "[ . 1 . 2]" 1
26 1 5 GLY H 1 6 GLY H . . 3.750 3.170 2.224 3.712 . 0 0 "[ . 1 . 2]" 1
27 1 5 GLY H 1 7 LEU QB . . 4.240 3.922 3.651 4.225 . 0 0 "[ . 1 . 2]" 1
28 1 6 GLY H 1 6 GLY QA . . 2.630 2.291 2.208 2.484 . 0 0 "[ . 1 . 2]" 1
29 1 6 GLY QA 1 7 LEU H . . 3.020 2.386 2.090 2.892 . 0 0 "[ . 1 . 2]" 1
30 1 6 GLY QA 1 7 LEU HA . . 4.330 4.094 3.838 4.367 0.037 20 0 "[ . 1 . 2]" 1
31 1 6 GLY QA 1 7 LEU QB . . 4.680 3.961 3.709 4.210 . 0 0 "[ . 1 . 2]" 1
32 1 7 LEU H 1 7 LEU QB . . 3.450 2.773 2.145 3.213 . 0 0 "[ . 1 . 2]" 1
33 1 7 LEU H 1 7 LEU QD . . 5.100 3.834 2.945 4.127 . 0 0 "[ . 1 . 2]" 1
34 1 7 LEU H 1 7 LEU HG . . 4.750 4.458 3.657 4.828 0.078 3 0 "[ . 1 . 2]" 1
35 1 7 LEU H 1 8 GLY H . . 3.560 2.909 2.044 3.657 0.097 16 0 "[ . 1 . 2]" 1
36 1 7 LEU HA 1 7 LEU QD . . 3.830 2.393 1.944 3.377 . 0 0 "[ . 1 . 2]" 1
37 1 7 LEU HA 1 8 GLY H . . 3.080 2.625 2.026 3.156 0.076 8 0 "[ . 1 . 2]" 1
38 1 7 LEU HA 1 10 TYR H . . 4.580 4.010 3.451 4.656 0.076 4 0 "[ . 1 . 2]" 1
39 1 7 LEU HA 1 10 TYR QD . . 4.440 4.094 3.104 4.555 0.115 20 0 "[ . 1 . 2]" 1
40 1 7 LEU QB 1 8 GLY H . . 4.860 3.812 3.516 4.021 . 0 0 "[ . 1 . 2]" 1
41 1 7 LEU QB 1 8 GLY HA2 . . 4.800 4.616 4.142 5.332 0.532 18 1 "[ . 1 . + 2]" 1
42 1 7 LEU QB 1 10 TYR HB2 . . 4.490 3.807 2.150 4.390 . 0 0 "[ . 1 . 2]" 1
43 1 7 LEU QD 1 8 GLY H . . 5.500 4.062 2.642 4.606 . 0 0 "[ . 1 . 2]" 1
44 1 7 LEU QD 1 9 GLY H . . 5.250 4.189 3.224 4.943 . 0 0 "[ . 1 . 2]" 1
45 1 7 LEU QD 1 10 TYR H . . 5.200 3.393 2.397 3.988 . 0 0 "[ . 1 . 2]" 1
46 1 7 LEU QD 1 10 TYR QD . . 5.200 3.403 2.219 4.012 . 0 0 "[ . 1 . 2]" 1
47 1 7 LEU QD 1 11 MET H . . 5.080 4.083 3.451 4.722 . 0 0 "[ . 1 . 2]" 1
48 1 7 LEU QD 1 12 LEU QD . . 5.490 4.054 3.488 4.450 . 0 0 "[ . 1 . 2]" 1
49 1 7 LEU QD 1 44 TYR QE . . 4.030 2.729 2.220 3.873 . 0 0 "[ . 1 . 2]" 1
50 1 7 LEU QD 1 68 GLN QE . . 5.350 2.795 1.990 4.215 . 0 0 "[ . 1 . 2]" 1
51 1 7 LEU QD 1 68 GLN QG . . 5.090 2.899 2.066 3.874 . 0 0 "[ . 1 . 2]" 1
52 1 8 GLY H 1 8 GLY HA3 . . 2.910 2.504 2.258 2.952 0.042 20 0 "[ . 1 . 2]" 1
53 1 8 GLY H 1 9 GLY H . . 3.650 3.218 1.937 3.746 0.096 2 0 "[ . 1 . 2]" 1
54 1 9 GLY H 1 9 GLY HA3 . . 2.910 2.774 2.290 3.035 0.125 2 0 "[ . 1 . 2]" 1
55 1 9 GLY H 1 10 TYR H . . 3.400 2.172 1.645 2.748 . 0 0 "[ . 1 . 2]" 1
56 1 10 TYR H 1 10 TYR HB2 . . 3.250 2.315 2.215 2.416 . 0 0 "[ . 1 . 2]" 1
57 1 10 TYR H 1 10 TYR QD . . 3.350 2.377 2.239 2.581 . 0 0 "[ . 1 . 2]" 1
58 1 10 TYR H 1 10 TYR QE . . 4.530 4.575 4.300 4.622 0.092 17 0 "[ . 1 . 2]" 1
59 1 10 TYR H 1 46 ARG HG2 . . 4.730 4.507 4.191 4.796 0.066 9 0 "[ . 1 . 2]" 1
60 1 10 TYR HA 1 10 TYR QD . . 3.640 3.105 2.938 3.179 . 0 0 "[ . 1 . 2]" 1
61 1 10 TYR HA 1 11 MET H . . 3.240 2.381 2.145 2.530 . 0 0 "[ . 1 . 2]" 1
62 1 10 TYR HA 1 45 TYR H . . 4.380 3.911 3.321 4.213 . 0 0 "[ . 1 . 2]" 1
63 1 10 TYR HA 1 64 ILE MG . . 5.050 5.028 4.736 5.143 0.093 15 0 "[ . 1 . 2]" 1
64 1 10 TYR HB2 1 11 MET H . . 4.640 3.835 3.536 4.463 . 0 0 "[ . 1 . 2]" 1
65 1 10 TYR HB2 1 45 TYR H . . 4.720 4.758 4.496 4.805 0.085 13 0 "[ . 1 . 2]" 1
66 1 10 TYR HB2 1 64 ILE MG . . 5.230 3.247 2.817 3.666 . 0 0 "[ . 1 . 2]" 1
67 1 10 TYR HB3 1 11 MET H . . 4.070 2.563 2.133 3.608 . 0 0 "[ . 1 . 2]" 1
68 1 10 TYR HB3 1 44 TYR QD . . 4.010 3.613 3.080 4.101 0.091 14 0 "[ . 1 . 2]" 1
69 1 10 TYR HB3 1 45 TYR H . . 4.450 3.023 2.766 3.139 . 0 0 "[ . 1 . 2]" 1
70 1 10 TYR QD 1 11 MET H . . 4.910 3.672 3.374 4.313 . 0 0 "[ . 1 . 2]" 1
71 1 10 TYR QD 1 44 TYR QB . . 4.020 2.593 2.084 3.124 . 0 0 "[ . 1 . 2]" 1
72 1 10 TYR QD 1 45 TYR H . . 3.900 2.701 2.493 2.884 . 0 0 "[ . 1 . 2]" 1
73 1 10 TYR QD 1 45 TYR HA . . 4.020 2.853 2.628 3.208 . 0 0 "[ . 1 . 2]" 1
74 1 10 TYR QD 1 46 ARG H . . 4.570 4.416 3.972 4.643 0.073 3 0 "[ . 1 . 2]" 1
75 1 10 TYR QD 1 46 ARG QD . . 3.260 3.169 2.877 3.297 0.037 20 0 "[ . 1 . 2]" 1
76 1 10 TYR QD 1 46 ARG HG2 . . 4.380 3.600 2.794 4.420 0.040 14 0 "[ . 1 . 2]" 1
77 1 10 TYR QD 1 46 ARG HG3 . . 4.250 3.433 3.004 4.295 0.045 19 0 "[ . 1 . 2]" 1
78 1 10 TYR QD 1 64 ILE HB . . 4.130 3.500 3.101 3.851 . 0 0 "[ . 1 . 2]" 1
79 1 10 TYR QD 1 64 ILE MD . . 3.760 3.859 3.619 3.886 0.126 4 0 "[ . 1 . 2]" 1
80 1 10 TYR QD 1 64 ILE QG . . 4.230 3.309 3.000 3.993 . 0 0 "[ . 1 . 2]" 1
81 1 10 TYR QD 1 64 ILE MG . . 3.620 2.856 2.519 3.105 . 0 0 "[ . 1 . 2]" 1
82 1 10 TYR QE 1 45 TYR H . . 4.590 4.601 4.013 4.691 0.101 18 0 "[ . 1 . 2]" 1
83 1 10 TYR QE 1 46 ARG QD . . 3.930 2.686 2.455 3.276 . 0 0 "[ . 1 . 2]" 1
84 1 10 TYR QE 1 46 ARG HG3 . . 3.990 2.964 2.633 3.383 . 0 0 "[ . 1 . 2]" 1
85 1 10 TYR QE 1 64 ILE HB . . 3.930 3.243 2.707 3.990 0.060 18 0 "[ . 1 . 2]" 1
86 1 10 TYR QE 1 64 ILE MD . . 3.820 2.986 2.278 3.453 . 0 0 "[ . 1 . 2]" 1
87 1 10 TYR QE 1 64 ILE QG . . 3.940 2.773 2.370 3.267 . 0 0 "[ . 1 . 2]" 1
88 1 10 TYR QE 1 64 ILE MG . . 3.750 3.595 3.013 3.859 0.109 9 0 "[ . 1 . 2]" 1
89 1 11 MET H 1 11 MET HB2 . . 3.950 3.164 2.610 3.932 . 0 0 "[ . 1 . 2]" 1
90 1 11 MET H 1 11 MET ME . . 5.330 2.384 2.057 2.857 . 0 0 "[ . 1 . 2]" 1
91 1 11 MET H 1 11 MET QG . . 4.090 2.929 2.253 3.734 . 0 0 "[ . 1 . 2]" 1
92 1 11 MET H 1 44 TYR HA . . 4.740 4.187 3.643 4.622 . 0 0 "[ . 1 . 2]" 1
93 1 11 MET H 1 44 TYR QB . . 4.850 3.507 3.217 4.337 . 0 0 "[ . 1 . 2]" 1
94 1 11 MET H 1 45 TYR H . . 3.790 2.493 2.285 2.927 . 0 0 "[ . 1 . 2]" 1
95 1 11 MET HA 1 11 MET QG . . 4.000 2.874 2.511 3.453 . 0 0 "[ . 1 . 2]" 1
96 1 11 MET HA 1 12 LEU H . . 2.880 2.420 2.151 2.713 . 0 0 "[ . 1 . 2]" 1
97 1 11 MET HA 1 12 LEU QB . . 4.240 3.934 3.634 4.178 . 0 0 "[ . 1 . 2]" 1
98 1 11 MET HB2 1 11 MET ME . . 4.050 2.719 2.073 4.131 0.081 15 0 "[ . 1 . 2]" 1
99 1 11 MET HB2 1 12 LEU H . . 4.480 3.030 2.361 3.581 . 0 0 "[ . 1 . 2]" 1
100 1 11 MET HB2 1 45 TYR QE . . 3.740 3.284 2.799 3.844 0.104 2 0 "[ . 1 . 2]" 1
101 1 11 MET HB3 1 11 MET ME . . 3.560 3.479 3.240 3.599 0.039 19 0 "[ . 1 . 2]" 1
102 1 11 MET HB3 1 12 LEU H . . 4.280 2.762 2.148 3.782 . 0 0 "[ . 1 . 2]" 1
103 1 11 MET ME 1 11 MET QG . . 3.220 2.380 2.065 2.637 . 0 0 "[ . 1 . 2]" 1
104 1 11 MET ME 1 12 LEU H . . 5.340 5.021 4.426 5.433 0.093 2 0 "[ . 1 . 2]" 1
105 1 11 MET ME 1 45 TYR HA . . 4.280 4.388 4.381 4.398 0.118 17 0 "[ . 1 . 2]" 1
106 1 11 MET ME 1 45 TYR QE . . 4.380 2.828 2.360 3.257 . 0 0 "[ . 1 . 2]" 1
107 1 11 MET ME 1 46 ARG QD . . 4.880 4.469 4.320 4.597 . 0 0 "[ . 1 . 2]" 1
108 1 11 MET ME 1 46 ARG HG2 . . 5.040 3.223 2.708 3.909 . 0 0 "[ . 1 . 2]" 1
109 1 11 MET ME 1 47 PRO HA . . 4.790 3.667 3.130 4.335 . 0 0 "[ . 1 . 2]" 1
110 1 11 MET ME 1 47 PRO QD . . 5.500 2.155 1.952 2.708 . 0 0 "[ . 1 . 2]" 1
111 1 11 MET QG 1 12 LEU H . . 4.590 3.923 3.634 4.196 . 0 0 "[ . 1 . 2]" 1
112 1 11 MET QG 1 46 ARG HA . . 4.940 4.590 4.287 4.957 0.017 3 0 "[ . 1 . 2]" 1
113 1 12 LEU H 1 12 LEU QB . . 3.140 2.179 1.926 2.472 . 0 0 "[ . 1 . 2]" 1
114 1 12 LEU H 1 12 LEU QD . . 5.100 3.664 2.985 3.877 . 0 0 "[ . 1 . 2]" 1
115 1 12 LEU HA 1 12 LEU QD . . 3.880 2.263 2.008 3.208 . 0 0 "[ . 1 . 2]" 1
116 1 12 LEU HA 1 13 GLY H . . 3.330 2.258 2.148 3.242 . 0 0 "[ . 1 . 2]" 1
117 1 12 LEU HA 1 13 GLY HA3 . . 4.820 4.346 4.175 4.482 . 0 0 "[ . 1 . 2]" 1
118 1 12 LEU HA 1 44 TYR HA . . 4.440 2.694 2.166 3.666 . 0 0 "[ . 1 . 2]" 1
119 1 12 LEU QB 1 44 TYR QE . . 4.260 3.031 2.316 4.200 . 0 0 "[ . 1 . 2]" 1
120 1 12 LEU QD 1 13 GLY H . . 4.460 2.649 1.831 4.355 . 0 0 "[ . 1 . 2]" 1
121 1 12 LEU QD 1 41 ASN HD22 . . 5.430 4.733 3.778 5.259 . 0 0 "[ . 1 . 2]" 1
122 1 12 LEU QD 1 42 GLN HB2 . . 4.650 2.617 2.046 3.105 . 0 0 "[ . 1 . 2]" 1
123 1 12 LEU QD 1 42 GLN HB3 . . 5.330 2.168 1.957 2.894 . 0 0 "[ . 1 . 2]" 1
124 1 12 LEU QD 1 42 GLN QE . . 4.460 2.257 1.855 2.842 . 0 0 "[ . 1 . 2]" 1
125 1 12 LEU QD 1 42 GLN HG3 . . 4.980 3.452 2.146 3.927 . 0 0 "[ . 1 . 2]" 1
126 1 12 LEU QD 1 44 TYR QE . . 3.640 2.506 1.905 3.345 . 0 0 "[ . 1 . 2]" 1
127 1 12 LEU HG 1 42 GLN HB3 . . 5.030 4.072 2.234 5.127 0.097 4 0 "[ . 1 . 2]" 1
128 1 12 LEU HG 1 42 GLN QE . . 4.930 3.437 2.126 4.740 . 0 0 "[ . 1 . 2]" 1
129 1 13 GLY H 1 43 VAL H . . 4.910 3.463 2.895 4.967 0.057 2 0 "[ . 1 . 2]" 1
130 1 13 GLY H 1 43 VAL QG . . 5.250 4.113 3.088 4.833 . 0 0 "[ . 1 . 2]" 1
131 1 13 GLY H 1 44 TYR HA . . 4.500 3.103 2.536 3.891 . 0 0 "[ . 1 . 2]" 1
132 1 13 GLY H 1 45 TYR QE . . 3.780 3.498 2.422 3.862 0.082 16 0 "[ . 1 . 2]" 1
133 1 13 GLY HA2 1 14 SER H . . 3.070 2.704 2.413 3.145 0.075 2 0 "[ . 1 . 2]" 1
134 1 13 GLY HA2 1 45 TYR QE . . 3.600 2.239 1.981 3.039 . 0 0 "[ . 1 . 2]" 1
135 1 13 GLY HA3 1 14 SER H . . 3.510 2.536 2.066 3.524 0.014 4 0 "[ . 1 . 2]" 1
136 1 13 GLY HA3 1 42 GLN QE . . 4.820 3.681 3.246 4.633 . 0 0 "[ . 1 . 2]" 1
137 1 13 GLY HA3 1 45 TYR QE . . 3.920 3.396 2.496 3.967 0.047 3 0 "[ . 1 . 2]" 1
138 1 14 SER H 1 14 SER QB . . 3.480 2.451 2.054 3.279 . 0 0 "[ . 1 . 2]" 1
139 1 14 SER H 1 15 ALA H . . 4.510 4.460 3.659 4.588 0.078 12 0 "[ . 1 . 2]" 1
140 1 14 SER H 1 45 TYR QE . . 4.680 4.646 3.760 4.779 0.099 11 0 "[ . 1 . 2]" 1
141 1 14 SER HA 1 15 ALA H . . 2.660 2.227 1.926 2.552 . 0 0 "[ . 1 . 2]" 1
142 1 14 SER HA 1 15 ALA MB . . 5.010 4.004 3.698 4.188 . 0 0 "[ . 1 . 2]" 1
143 1 14 SER HA 1 42 GLN QE . . 4.420 3.084 2.496 3.552 . 0 0 "[ . 1 . 2]" 1
144 1 14 SER QB 1 15 ALA H . . 3.590 3.131 2.312 3.447 . 0 0 "[ . 1 . 2]" 1
145 1 14 SER QB 1 15 ALA MB . . 4.970 4.453 3.908 4.738 . 0 0 "[ . 1 . 2]" 1
146 1 14 SER QB 1 99 GLN HA . . 4.170 4.082 3.662 4.166 . 0 0 "[ . 1 . 2]" 1
147 1 15 ALA H 1 15 ALA MB . . 3.120 2.259 2.120 2.433 . 0 0 "[ . 1 . 2]" 1
148 1 15 ALA H 1 42 GLN QE . . 4.550 3.065 2.487 3.590 . 0 0 "[ . 1 . 2]" 1
149 1 15 ALA H 1 42 GLN HG2 . . 4.790 3.962 3.412 4.723 . 0 0 "[ . 1 . 2]" 1
150 1 15 ALA H 1 42 GLN HG3 . . 4.740 4.790 4.127 4.878 0.138 20 0 "[ . 1 . 2]" 1
151 1 15 ALA HA 1 16 MET H . . 2.940 2.338 2.127 2.838 . 0 0 "[ . 1 . 2]" 1
152 1 15 ALA HA 1 42 GLN QE . . 4.320 3.268 2.837 3.731 . 0 0 "[ . 1 . 2]" 1
153 1 15 ALA HA 1 42 GLN HG2 . . 3.870 2.148 2.002 2.595 . 0 0 "[ . 1 . 2]" 1
154 1 15 ALA HA 1 42 GLN HG3 . . 4.110 3.154 2.275 3.850 . 0 0 "[ . 1 . 2]" 1
155 1 15 ALA MB 1 16 MET H . . 4.060 2.919 2.152 3.730 . 0 0 "[ . 1 . 2]" 1
156 1 15 ALA MB 1 16 MET HG2 . . 5.160 5.028 4.526 5.264 0.104 12 0 "[ . 1 . 2]" 1
157 1 15 ALA MB 1 41 ASN HD21 . . 4.640 3.090 2.094 4.730 0.090 20 0 "[ . 1 . 2]" 1
158 1 15 ALA MB 1 41 ASN HD22 . . 4.170 3.325 2.863 4.235 0.065 13 0 "[ . 1 . 2]" 1
159 1 15 ALA MB 1 42 GLN HB2 . . 4.710 4.568 3.617 4.803 0.093 16 0 "[ . 1 . 2]" 1
160 1 15 ALA MB 1 42 GLN HB3 . . 5.060 4.649 4.313 5.088 0.028 13 0 "[ . 1 . 2]" 1
161 1 16 MET H 1 16 MET HB2 . . 4.110 3.758 2.762 4.023 . 0 0 "[ . 1 . 2]" 1
162 1 16 MET H 1 16 MET HG2 . . 4.310 2.655 1.976 4.274 . 0 0 "[ . 1 . 2]" 1
163 1 16 MET H 1 16 MET HG3 . . 4.370 3.773 3.155 4.343 . 0 0 "[ . 1 . 2]" 1
164 1 16 MET HA 1 16 MET HB2 . . 2.640 2.481 2.401 3.025 0.385 20 0 "[ . 1 . 2]" 1
165 1 16 MET HA 1 16 MET HB3 . . 2.950 2.455 2.380 2.510 . 0 0 "[ . 1 . 2]" 1
166 1 16 MET HA 1 17 SER H . . 2.760 2.495 2.255 2.697 . 0 0 "[ . 1 . 2]" 1
167 1 16 MET HB2 1 17 SER H . . 3.510 2.635 2.154 4.025 0.515 20 1 "[ . 1 . +]" 1
168 1 16 MET HB3 1 16 MET ME . . 3.170 2.745 2.257 3.916 0.746 20 1 "[ . 1 . +]" 1
169 1 16 MET HB3 1 17 SER H . . 4.320 3.858 2.947 4.128 . 0 0 "[ . 1 . 2]" 1
170 1 16 MET ME 1 16 MET HG2 . . 3.200 2.722 2.138 3.314 0.114 10 0 "[ . 1 . 2]" 1
171 1 16 MET ME 1 16 MET HG3 . . 3.510 2.816 2.146 3.375 . 0 0 "[ . 1 . 2]" 1
172 1 16 MET ME 1 42 GLN HA . . 5.190 3.858 3.189 4.502 . 0 0 "[ . 1 . 2]" 1
173 1 16 MET ME 1 43 VAL H . . 4.870 4.082 3.689 4.565 . 0 0 "[ . 1 . 2]" 1
174 1 16 MET ME 1 43 VAL QG . . 4.270 2.603 2.232 3.505 . 0 0 "[ . 1 . 2]" 1
175 1 16 MET ME 1 95 MET HA . . 4.200 3.072 2.248 3.524 . 0 0 "[ . 1 . 2]" 1
176 1 16 MET ME 1 98 THR HB . . 3.860 3.176 2.352 3.949 0.089 19 0 "[ . 1 . 2]" 1
177 1 16 MET ME 1 98 THR MG . . 3.760 3.394 2.477 3.873 0.113 13 0 "[ . 1 . 2]" 1
178 1 16 MET ME 1 99 GLN H . . 4.040 3.210 2.657 3.817 . 0 0 "[ . 1 . 2]" 1
179 1 16 MET ME 1 99 GLN HA . . 4.120 3.917 3.551 4.197 0.077 10 0 "[ . 1 . 2]" 1
180 1 16 MET HG2 1 95 MET QB . . 4.840 3.663 2.718 4.248 . 0 0 "[ . 1 . 2]" 1
181 1 16 MET HG2 1 95 MET ME . . 4.100 3.270 2.062 4.331 0.231 20 0 "[ . 1 . 2]" 1
182 1 16 MET HG3 1 17 SER H . . 4.620 4.110 3.170 4.912 0.292 20 0 "[ . 1 . 2]" 1
183 1 16 MET HG3 1 95 MET ME . . 4.220 3.612 2.206 4.312 0.092 18 0 "[ . 1 . 2]" 1
184 1 16 MET HG3 1 98 THR MG . . 5.210 4.356 2.922 5.265 0.055 13 0 "[ . 1 . 2]" 1
185 1 17 SER H 1 17 SER HB2 . . 3.130 2.653 2.204 3.489 0.359 6 0 "[ . 1 . 2]" 1
186 1 17 SER H 1 17 SER HB3 . . 3.430 3.206 2.578 3.509 0.079 9 0 "[ . 1 . 2]" 1
187 1 17 SER H 1 18 ARG H . . 4.810 4.466 4.069 4.724 . 0 0 "[ . 1 . 2]" 1
188 1 17 SER HA 1 18 ARG H . . 2.830 2.261 2.058 2.757 . 0 0 "[ . 1 . 2]" 1
189 1 17 SER HB2 1 18 ARG H . . 4.790 4.028 2.956 4.539 . 0 0 "[ . 1 . 2]" 1
190 1 17 SER HB3 1 18 ARG H . . 3.980 3.616 2.486 4.364 0.384 18 0 "[ . 1 . 2]" 1
191 1 18 ARG H 1 18 ARG QB . . 3.520 2.500 2.051 3.122 . 0 0 "[ . 1 . 2]" 1
192 1 18 ARG H 1 18 ARG QD . . 4.770 3.569 2.009 4.604 . 0 0 "[ . 1 . 2]" 1
193 1 18 ARG H 1 18 ARG QG . . 3.790 2.570 1.784 3.877 0.087 16 0 "[ . 1 . 2]" 1
194 1 18 ARG HA 1 18 ARG QD . . 4.780 3.909 2.102 4.373 . 0 0 "[ . 1 . 2]" 1
195 1 18 ARG HA 1 18 ARG QG . . 3.890 2.955 2.242 3.572 . 0 0 "[ . 1 . 2]" 1
196 1 18 ARG HA 1 19 PRO HD2 . . 3.860 2.300 2.059 2.638 . 0 0 "[ . 1 . 2]" 1
197 1 18 ARG HA 1 19 PRO HD3 . . 3.600 2.453 2.131 2.779 . 0 0 "[ . 1 . 2]" 1
198 1 18 ARG QB 1 19 PRO HD3 . . 4.830 4.137 3.431 4.529 . 0 0 "[ . 1 . 2]" 1
199 1 18 ARG QD 1 36 MET ME . . 4.990 3.388 2.009 4.115 . 0 0 "[ . 1 . 2]" 1
200 1 18 ARG QD 1 36 MET QG . . 5.090 3.152 2.023 4.557 . 0 0 "[ . 1 . 2]" 1
201 1 18 ARG HE 1 36 MET ME . . 4.690 4.025 2.820 4.785 0.095 16 0 "[ . 1 . 2]" 1
202 1 18 ARG HE 1 36 MET QG . . 5.230 3.612 2.247 4.702 . 0 0 "[ . 1 . 2]" 1
203 1 19 PRO HA 1 20 MET H . . 2.990 2.388 2.200 2.802 . 0 0 "[ . 1 . 2]" 1
204 1 19 PRO HB2 1 20 MET H . . 4.240 2.928 2.024 4.005 . 0 0 "[ . 1 . 2]" 1
205 1 19 PRO HB2 1 21 ILE MD . . 4.640 3.483 2.513 4.382 . 0 0 "[ . 1 . 2]" 1
206 1 19 PRO HB3 1 20 MET H . . 4.360 3.601 3.178 4.189 . 0 0 "[ . 1 . 2]" 1
207 1 19 PRO HD2 1 91 VAL QG . . 4.880 2.217 1.834 3.117 . 0 0 "[ . 1 . 2]" 1
208 1 19 PRO HD3 1 91 VAL QG . . 5.090 3.566 2.975 4.223 . 0 0 "[ . 1 . 2]" 1
209 1 19 PRO HD3 1 95 MET QB . . 4.630 4.316 3.111 5.036 0.406 4 0 "[ . 1 . 2]" 1
210 1 19 PRO HG2 1 21 ILE MD . . 4.880 3.348 2.306 4.293 . 0 0 "[ . 1 . 2]" 1
211 1 19 PRO HG2 1 21 ILE QG . . 5.130 4.100 3.226 4.931 . 0 0 "[ . 1 . 2]" 1
212 1 19 PRO HG2 1 91 VAL HA . . 5.050 3.105 2.397 3.730 . 0 0 "[ . 1 . 2]" 1
213 1 19 PRO HG2 1 91 VAL QG . . 4.800 2.221 2.067 2.689 . 0 0 "[ . 1 . 2]" 1
214 1 19 PRO HG3 1 94 GLN QG . . 4.590 3.118 2.191 4.306 . 0 0 "[ . 1 . 2]" 1
215 1 19 PRO HG3 1 95 MET QG . . 5.090 3.195 2.381 4.932 . 0 0 "[ . 1 . 2]" 1
216 1 20 MET H 1 20 MET QB . . 3.330 2.424 2.218 2.580 . 0 0 "[ . 1 . 2]" 1
217 1 20 MET H 1 20 MET ME . . 4.820 4.295 2.477 4.805 . 0 0 "[ . 1 . 2]" 1
218 1 20 MET H 1 20 MET HG3 . . 4.390 3.858 2.901 4.453 0.063 14 0 "[ . 1 . 2]" 1
219 1 20 MET H 1 21 ILE H . . 4.690 4.362 3.785 4.652 . 0 0 "[ . 1 . 2]" 1
220 1 20 MET H 1 91 VAL QG . . 5.270 4.683 3.996 5.247 . 0 0 "[ . 1 . 2]" 1
221 1 20 MET HA 1 20 MET ME . . 4.160 2.345 1.929 3.332 . 0 0 "[ . 1 . 2]" 1
222 1 20 MET HA 1 20 MET HG2 . . 4.120 2.932 2.373 3.821 . 0 0 "[ . 1 . 2]" 1
223 1 20 MET HA 1 21 ILE H . . 3.190 2.353 2.114 2.650 . 0 0 "[ . 1 . 2]" 1
224 1 20 MET HA 1 32 TYR QE . . 3.420 2.470 2.147 2.894 . 0 0 "[ . 1 . 2]" 1
225 1 20 MET HA 1 36 MET ME . . 4.480 3.517 2.365 4.580 0.100 18 0 "[ . 1 . 2]" 1
226 1 20 MET QB 1 20 MET ME . . 2.470 2.418 2.181 2.582 0.112 20 0 "[ . 1 . 2]" 1
227 1 20 MET QB 1 21 ILE H . . 4.380 2.988 2.097 4.025 . 0 0 "[ . 1 . 2]" 1
228 1 20 MET QB 1 32 TYR QE . . 4.340 4.221 3.867 4.441 0.101 18 0 "[ . 1 . 2]" 1
229 1 20 MET ME 1 21 ILE H . . 5.340 3.322 2.180 5.110 . 0 0 "[ . 1 . 2]" 1
230 1 20 MET ME 1 32 TYR QD . . 4.410 3.251 2.337 4.515 0.105 4 0 "[ . 1 . 2]" 1
231 1 20 MET ME 1 32 TYR QE . . 5.290 3.007 2.555 4.085 . 0 0 "[ . 1 . 2]" 1
232 1 20 MET ME 1 36 MET QG . . 4.850 3.912 3.531 4.280 . 0 0 "[ . 1 . 2]" 1
233 1 20 MET ME 1 91 VAL QG . . 5.220 4.287 3.709 4.892 . 0 0 "[ . 1 . 2]" 1
234 1 20 MET HG2 1 36 MET ME . . 4.400 3.329 2.047 4.920 0.520 12 1 "[ . 1 + . 2]" 1
235 1 21 ILE H 1 21 ILE MD . . 5.020 3.512 2.103 4.401 . 0 0 "[ . 1 . 2]" 1
236 1 21 ILE H 1 21 ILE QG . . 4.580 3.100 2.123 3.971 . 0 0 "[ . 1 . 2]" 1
237 1 21 ILE H 1 32 TYR QE . . 3.500 2.501 1.728 3.550 0.050 8 0 "[ . 1 . 2]" 1
238 1 21 ILE HA 1 21 ILE MD . . 4.480 2.608 2.062 3.521 . 0 0 "[ . 1 . 2]" 1
239 1 21 ILE HA 1 22 HIS H . . 2.890 2.243 2.100 2.424 . 0 0 "[ . 1 . 2]" 1
240 1 21 ILE HA 1 22 HIS HA . . 4.480 4.490 4.408 4.540 0.060 8 0 "[ . 1 . 2]" 1
241 1 21 ILE HB 1 22 HIS H . . 4.450 4.121 3.852 4.515 0.065 20 0 "[ . 1 . 2]" 1
242 1 21 ILE HB 1 23 PHE QE . . 3.890 3.234 2.497 3.940 0.050 11 0 "[ . 1 . 2]" 1
243 1 21 ILE HB 1 23 PHE HZ . . 4.790 3.048 2.550 3.774 . 0 0 "[ . 1 . 2]" 1
244 1 21 ILE HB 1 91 VAL QG . . 5.080 4.043 2.755 4.635 . 0 0 "[ . 1 . 2]" 1
245 1 21 ILE MD 1 22 HIS H . . 4.870 4.198 3.432 4.977 0.107 9 0 "[ . 1 . 2]" 1
246 1 21 ILE MD 1 23 PHE QE . . 5.470 4.534 3.619 5.312 . 0 0 "[ . 1 . 2]" 1
247 1 21 ILE MD 1 32 TYR QE . . 4.700 3.638 2.033 4.769 0.069 5 0 "[ . 1 . 2]" 1
248 1 21 ILE MD 1 90 ARG H . . 5.300 5.235 4.861 5.403 0.103 4 0 "[ . 1 . 2]" 1
249 1 21 ILE MD 1 90 ARG QD . . 5.140 3.590 2.321 4.961 . 0 0 "[ . 1 . 2]" 1
250 1 21 ILE MD 1 91 VAL H . . 5.330 3.735 2.962 4.385 . 0 0 "[ . 1 . 2]" 1
251 1 21 ILE MD 1 91 VAL HA . . 3.990 2.354 1.948 3.224 . 0 0 "[ . 1 . 2]" 1
252 1 21 ILE MD 1 91 VAL HB . . 4.870 3.566 1.917 4.952 0.082 14 0 "[ . 1 . 2]" 1
253 1 21 ILE MD 1 91 VAL QG . . 4.410 2.889 1.924 4.225 . 0 0 "[ . 1 . 2]" 1
254 1 21 ILE MD 1 94 GLN QE . . 4.730 2.099 1.746 2.710 . 0 0 "[ . 1 . 2]" 1
255 1 21 ILE MD 1 94 GLN QG . . 4.900 3.292 2.220 4.327 . 0 0 "[ . 1 . 2]" 1
256 1 21 ILE QG 1 23 PHE QE . . 4.630 3.933 3.338 4.500 . 0 0 "[ . 1 . 2]" 1
257 1 21 ILE QG 1 32 TYR QE . . 4.390 3.216 2.158 4.209 . 0 0 "[ . 1 . 2]" 1
258 1 21 ILE QG 1 90 ARG QG . . 4.870 3.395 2.088 4.307 . 0 0 "[ . 1 . 2]" 1
259 1 21 ILE QG 1 91 VAL HA . . 5.080 3.002 2.197 3.852 . 0 0 "[ . 1 . 2]" 1
260 1 21 ILE QG 1 91 VAL QG . . 5.500 2.947 1.875 4.130 . 0 0 "[ . 1 . 2]" 1
261 1 21 ILE QG 1 94 GLN QE . . 5.050 2.914 1.634 3.849 . 0 0 "[ . 1 . 2]" 1
262 1 21 ILE MG 1 22 HIS H . . 3.800 2.569 2.037 3.493 . 0 0 "[ . 1 . 2]" 1
263 1 21 ILE MG 1 22 HIS HB2 . . 5.250 4.350 4.000 5.083 . 0 0 "[ . 1 . 2]" 1
264 1 21 ILE MG 1 23 PHE QD . . 4.750 2.971 2.498 3.344 . 0 0 "[ . 1 . 2]" 1
265 1 21 ILE MG 1 23 PHE QE . . 4.010 2.526 2.188 2.870 . 0 0 "[ . 1 . 2]" 1
266 1 21 ILE MG 1 23 PHE HZ . . 3.920 3.496 3.078 3.982 0.062 9 0 "[ . 1 . 2]" 1
267 1 21 ILE MG 1 90 ARG HB2 . . 5.090 3.486 2.384 4.485 . 0 0 "[ . 1 . 2]" 1
268 1 21 ILE MG 1 90 ARG QG . . 5.210 2.584 2.008 3.234 . 0 0 "[ . 1 . 2]" 1
269 1 21 ILE MG 1 91 VAL QG . . 5.420 4.386 3.460 4.969 . 0 0 "[ . 1 . 2]" 1
270 1 21 ILE MG 1 94 GLN QE . . 5.490 4.039 2.946 4.601 . 0 0 "[ . 1 . 2]" 1
271 1 22 HIS H 1 22 HIS HB2 . . 3.580 2.491 2.326 2.748 . 0 0 "[ . 1 . 2]" 1
272 1 22 HIS H 1 22 HIS HB3 . . 3.900 3.671 3.559 3.810 . 0 0 "[ . 1 . 2]" 1
273 1 22 HIS H 1 22 HIS HD2 . . 4.500 3.789 2.771 4.566 0.066 15 0 "[ . 1 . 2]" 1
274 1 22 HIS H 1 23 PHE H . . 4.500 4.254 3.901 4.556 0.056 19 0 "[ . 1 . 2]" 1
275 1 22 HIS HA 1 22 HIS HE1 . . 4.530 4.598 4.506 4.617 0.087 19 0 "[ . 1 . 2]" 1
276 1 22 HIS HA 1 23 PHE H . . 3.250 2.256 2.082 2.497 . 0 0 "[ . 1 . 2]" 1
277 1 22 HIS HA 1 23 PHE HA . . 4.470 4.495 4.416 4.541 0.071 1 0 "[ . 1 . 2]" 1
278 1 22 HIS HA 1 23 PHE QD . . 4.290 3.954 2.969 4.377 0.087 9 0 "[ . 1 . 2]" 1
279 1 22 HIS HA 1 24 GLY H . . 4.860 3.541 3.050 4.276 . 0 0 "[ . 1 . 2]" 1
280 1 22 HIS HB2 1 22 HIS HD2 . . 3.870 2.671 2.578 2.788 . 0 0 "[ . 1 . 2]" 1
281 1 22 HIS HB2 1 24 GLY H . . 4.440 4.303 3.797 4.514 0.074 9 0 "[ . 1 . 2]" 1
282 1 22 HIS HB3 1 23 PHE H . . 4.590 3.426 2.329 4.113 . 0 0 "[ . 1 . 2]" 1
283 1 22 HIS HB3 1 24 GLY H . . 3.990 2.995 2.531 3.405 . 0 0 "[ . 1 . 2]" 1
284 1 23 PHE H 1 23 PHE HB2 . . 3.930 2.676 2.467 2.990 . 0 0 "[ . 1 . 2]" 1
285 1 23 PHE H 1 23 PHE QD . . 3.530 2.686 2.291 3.141 . 0 0 "[ . 1 . 2]" 1
286 1 23 PHE H 1 23 PHE QE . . 4.830 4.287 3.817 4.750 . 0 0 "[ . 1 . 2]" 1
287 1 23 PHE H 1 24 GLY H . . 3.530 2.390 1.759 2.927 . 0 0 "[ . 1 . 2]" 1
288 1 23 PHE H 1 25 ASN H . . 4.630 3.810 3.084 4.678 0.048 12 0 "[ . 1 . 2]" 1
289 1 23 PHE HA 1 23 PHE QD . . 3.800 2.783 2.451 3.123 . 0 0 "[ . 1 . 2]" 1
290 1 23 PHE HB2 1 24 GLY H . . 4.350 3.413 2.761 3.862 . 0 0 "[ . 1 . 2]" 1
291 1 23 PHE HB2 1 28 GLU HB3 . . 4.910 3.077 2.382 4.268 . 0 0 "[ . 1 . 2]" 1
292 1 23 PHE HB3 1 25 ASN H . . 4.490 4.116 3.283 4.618 0.128 11 0 "[ . 1 . 2]" 1
293 1 23 PHE QD 1 28 GLU HB2 . . 4.290 3.035 2.447 3.434 . 0 0 "[ . 1 . 2]" 1
294 1 23 PHE QD 1 29 ASP H . . 4.220 3.303 2.917 3.839 . 0 0 "[ . 1 . 2]" 1
295 1 23 PHE QD 1 29 ASP HA . . 3.550 2.492 2.148 3.262 . 0 0 "[ . 1 . 2]" 1
296 1 23 PHE QD 1 87 MET ME . . 4.760 3.465 3.008 4.040 . 0 0 "[ . 1 . 2]" 1
297 1 23 PHE QE 1 32 TYR H . . 4.380 3.470 3.089 3.805 . 0 0 "[ . 1 . 2]" 1
298 1 23 PHE QE 1 32 TYR HB2 . . 4.060 2.528 2.245 2.916 . 0 0 "[ . 1 . 2]" 1
299 1 23 PHE QE 1 32 TYR HB3 . . 4.230 2.298 2.139 2.539 . 0 0 "[ . 1 . 2]" 1
300 1 23 PHE QE 1 32 TYR QD . . 3.620 2.558 2.167 3.036 . 0 0 "[ . 1 . 2]" 1
301 1 23 PHE QE 1 33 ARG H . . 4.480 4.476 4.239 4.568 0.088 5 0 "[ . 1 . 2]" 1
302 1 23 PHE QE 1 87 MET ME . . 3.740 3.348 2.877 3.758 0.018 10 0 "[ . 1 . 2]" 1
303 1 23 PHE QE 1 87 MET QG . . 4.100 3.130 2.082 3.997 . 0 0 "[ . 1 . 2]" 1
304 1 23 PHE QE 1 90 ARG QG . . 4.700 3.048 2.384 4.571 . 0 0 "[ . 1 . 2]" 1
305 1 23 PHE HZ 1 32 TYR QE . . 3.950 3.982 3.703 4.041 0.091 16 0 "[ . 1 . 2]" 1
306 1 23 PHE HZ 1 87 MET HA . . 4.070 3.309 2.525 4.105 0.035 5 0 "[ . 1 . 2]" 1
307 1 23 PHE HZ 1 87 MET HB2 . . 4.670 4.642 4.233 4.754 0.084 16 0 "[ . 1 . 2]" 1
308 1 23 PHE HZ 1 87 MET HB3 . . 4.250 3.121 2.525 3.459 . 0 0 "[ . 1 . 2]" 1
309 1 23 PHE HZ 1 87 MET ME . . 4.050 3.958 3.329 4.132 0.082 13 0 "[ . 1 . 2]" 1
310 1 23 PHE HZ 1 87 MET QG . . 5.090 2.839 2.096 3.994 . 0 0 "[ . 1 . 2]" 1
311 1 24 GLY H 1 25 ASN H . . 3.270 2.716 2.240 3.349 0.079 16 0 "[ . 1 . 2]" 1
312 1 24 GLY HA3 1 25 ASN HA . . 4.680 4.592 4.129 4.736 0.056 20 0 "[ . 1 . 2]" 1
313 1 25 ASN H 1 25 ASN QB . . 3.680 2.684 2.182 3.291 . 0 0 "[ . 1 . 2]" 1
314 1 25 ASN H 1 26 ASP H . . 4.630 4.390 4.110 4.695 0.065 16 0 "[ . 1 . 2]" 1
315 1 25 ASN H 1 28 GLU HB2 . . 4.880 3.669 2.996 4.954 0.074 19 0 "[ . 1 . 2]" 1
316 1 25 ASN H 1 29 ASP H . . 4.370 4.128 3.493 4.447 0.077 20 0 "[ . 1 . 2]" 1
317 1 25 ASN HA 1 25 ASN HD21 . . 4.820 2.208 1.614 3.657 . 0 0 "[ . 1 . 2]" 1
318 1 25 ASN HA 1 26 ASP H . . 2.900 2.337 2.172 2.610 . 0 0 "[ . 1 . 2]" 1
319 1 25 ASN HA 1 26 ASP HA . . 4.600 4.264 3.839 4.500 . 0 0 "[ . 1 . 2]" 1
320 1 25 ASN HA 1 27 TRP H . . 4.900 4.467 3.912 4.959 0.059 20 0 "[ . 1 . 2]" 1
321 1 25 ASN QB 1 25 ASN HD22 . . 3.580 3.515 3.408 3.575 . 0 0 "[ . 1 . 2]" 1
322 1 25 ASN QB 1 26 ASP H . . 4.120 3.283 2.253 3.851 . 0 0 "[ . 1 . 2]" 1
323 1 25 ASN QB 1 28 GLU H . . 4.310 2.916 2.236 3.981 . 0 0 "[ . 1 . 2]" 1
324 1 25 ASN QB 1 28 GLU HB2 . . 4.620 2.960 2.210 4.598 . 0 0 "[ . 1 . 2]" 1
325 1 25 ASN HD21 1 26 ASP HA . . 4.840 4.723 3.353 4.932 0.092 14 0 "[ . 1 . 2]" 1
326 1 25 ASN HD22 1 27 TRP HD1 . . 4.480 3.484 2.740 4.697 0.217 20 0 "[ . 1 . 2]" 1
327 1 26 ASP H 1 26 ASP QB . . 3.030 2.369 2.121 2.790 . 0 0 "[ . 1 . 2]" 1
328 1 26 ASP H 1 27 TRP H . . 3.640 2.700 2.574 2.885 . 0 0 "[ . 1 . 2]" 1
329 1 26 ASP H 1 27 TRP QB . . 4.860 4.930 4.800 4.958 0.098 13 0 "[ . 1 . 2]" 1
330 1 26 ASP H 1 28 GLU H . . 4.510 4.222 3.997 4.583 0.073 20 0 "[ . 1 . 2]" 1
331 1 26 ASP HA 1 27 TRP HA . . 4.850 4.722 4.561 4.879 0.029 7 0 "[ . 1 . 2]" 1
332 1 26 ASP HA 1 29 ASP H . . 4.370 3.487 2.951 4.016 . 0 0 "[ . 1 . 2]" 1
333 1 26 ASP HA 1 29 ASP QB . . 3.790 2.524 2.097 3.123 . 0 0 "[ . 1 . 2]" 1
334 1 26 ASP HA 1 30 ARG H . . 4.880 3.898 3.488 4.292 . 0 0 "[ . 1 . 2]" 1
335 1 26 ASP HA 1 30 ARG HG2 . . 4.750 4.797 4.620 4.839 0.089 6 0 "[ . 1 . 2]" 1
336 1 26 ASP QB 1 27 TRP H . . 3.390 2.741 2.104 3.443 0.053 3 0 "[ . 1 . 2]" 1
337 1 26 ASP QB 1 27 TRP HA . . 4.710 3.817 3.354 4.121 . 0 0 "[ . 1 . 2]" 1
338 1 26 ASP QB 1 27 TRP QB . . 4.880 4.033 3.471 4.612 . 0 0 "[ . 1 . 2]" 1
339 1 26 ASP QB 1 30 ARG H . . 4.660 4.642 4.295 4.768 0.108 9 0 "[ . 1 . 2]" 1
340 1 26 ASP QB 1 30 ARG QD . . 4.580 4.348 3.038 4.693 0.113 5 0 "[ . 1 . 2]" 1
341 1 26 ASP QB 1 30 ARG HE . . 4.980 3.557 2.864 5.078 0.098 4 0 "[ . 1 . 2]" 1
342 1 27 TRP H 1 27 TRP QB . . 3.010 2.582 2.407 2.803 . 0 0 "[ . 1 . 2]" 1
343 1 27 TRP H 1 27 TRP HD1 . . 4.020 2.197 1.811 2.725 . 0 0 "[ . 1 . 2]" 1
344 1 27 TRP H 1 28 GLU H . . 3.970 2.695 2.237 3.254 . 0 0 "[ . 1 . 2]" 1
345 1 27 TRP HA 1 27 TRP HD1 . . 4.780 4.323 4.098 4.562 . 0 0 "[ . 1 . 2]" 1
346 1 27 TRP HA 1 30 ARG QB . . 4.140 4.197 4.096 4.233 0.093 10 0 "[ . 1 . 2]" 1
347 1 27 TRP HA 1 31 TYR H . . 4.720 4.037 3.763 4.467 . 0 0 "[ . 1 . 2]" 1
348 1 27 TRP QB 1 27 TRP HD1 . . 3.260 2.699 2.592 2.988 . 0 0 "[ . 1 . 2]" 1
349 1 27 TRP QB 1 27 TRP HE3 . . 3.550 2.532 2.406 2.716 . 0 0 "[ . 1 . 2]" 1
350 1 27 TRP QB 1 28 GLU H . . 4.570 3.576 3.337 3.926 . 0 0 "[ . 1 . 2]" 1
351 1 27 TRP QB 1 30 ARG QD . . 4.220 3.524 3.231 3.906 . 0 0 "[ . 1 . 2]" 1
352 1 27 TRP QB 1 31 TYR QD . . 4.340 4.445 4.417 4.462 0.122 9 0 "[ . 1 . 2]" 1
353 1 27 TRP HD1 1 28 GLU QG . . 4.630 4.155 3.509 4.573 . 0 0 "[ . 1 . 2]" 1
354 1 27 TRP HE3 1 28 GLU H . . 4.550 4.323 3.807 4.608 0.058 12 0 "[ . 1 . 2]" 1
355 1 27 TRP HE3 1 28 GLU HA . . 4.990 3.771 3.311 4.449 . 0 0 "[ . 1 . 2]" 1
356 1 27 TRP HE3 1 28 GLU QG . . 3.930 3.205 2.838 3.539 . 0 0 "[ . 1 . 2]" 1
357 1 27 TRP HZ3 1 83 THR MG . . 4.230 3.228 2.047 4.321 0.091 15 0 "[ . 1 . 2]" 1
358 1 28 GLU H 1 28 GLU HB2 . . 3.720 2.505 2.371 2.709 . 0 0 "[ . 1 . 2]" 1
359 1 28 GLU H 1 28 GLU HB3 . . 3.910 3.611 3.553 3.692 . 0 0 "[ . 1 . 2]" 1
360 1 28 GLU H 1 28 GLU QG . . 4.360 2.351 2.016 2.856 . 0 0 "[ . 1 . 2]" 1
361 1 28 GLU H 1 29 ASP H . . 3.460 2.457 1.969 2.774 . 0 0 "[ . 1 . 2]" 1
362 1 28 GLU H 1 29 ASP QB . . 4.790 4.155 3.367 4.639 . 0 0 "[ . 1 . 2]" 1
363 1 28 GLU HA 1 31 TYR H . . 4.540 3.333 2.999 3.690 . 0 0 "[ . 1 . 2]" 1
364 1 28 GLU HA 1 31 TYR HB2 . . 4.320 2.883 2.345 3.459 . 0 0 "[ . 1 . 2]" 1
365 1 28 GLU HA 1 31 TYR HB3 . . 4.850 2.391 2.058 2.940 . 0 0 "[ . 1 . 2]" 1
366 1 28 GLU HA 1 31 TYR QD . . 4.360 4.004 3.685 4.306 . 0 0 "[ . 1 . 2]" 1
367 1 28 GLU HA 1 87 MET ME . . 3.880 2.745 2.234 3.483 . 0 0 "[ . 1 . 2]" 1
368 1 28 GLU HB2 1 29 ASP H . . 4.590 2.721 2.366 3.194 . 0 0 "[ . 1 . 2]" 1
369 1 28 GLU HB2 1 87 MET ME . . 3.890 3.651 3.225 3.979 0.089 10 0 "[ . 1 . 2]" 1
370 1 28 GLU HB3 1 29 ASP H . . 4.480 3.758 3.507 4.161 . 0 0 "[ . 1 . 2]" 1
371 1 28 GLU HB3 1 87 MET ME . . 3.560 2.219 1.898 2.485 . 0 0 "[ . 1 . 2]" 1
372 1 28 GLU QG 1 87 MET ME . . 5.040 2.838 2.170 3.730 . 0 0 "[ . 1 . 2]" 1
373 1 29 ASP H 1 29 ASP QB . . 3.330 2.223 2.064 2.335 . 0 0 "[ . 1 . 2]" 1
374 1 29 ASP HA 1 32 TYR H . . 4.230 3.971 3.514 4.313 0.083 17 0 "[ . 1 . 2]" 1
375 1 29 ASP HA 1 33 ARG H . . 4.750 4.242 3.840 4.652 . 0 0 "[ . 1 . 2]" 1
376 1 29 ASP QB 1 30 ARG H . . 4.490 2.444 2.228 2.752 . 0 0 "[ . 1 . 2]" 1
377 1 29 ASP QB 1 30 ARG HA . . 4.600 4.217 3.543 4.468 . 0 0 "[ . 1 . 2]" 1
378 1 30 ARG H 1 30 ARG QB . . 3.020 2.562 2.333 2.745 . 0 0 "[ . 1 . 2]" 1
379 1 30 ARG H 1 30 ARG QD . . 5.060 4.052 3.610 4.282 . 0 0 "[ . 1 . 2]" 1
380 1 30 ARG H 1 30 ARG HE . . 4.960 3.848 2.875 5.042 0.082 11 0 "[ . 1 . 2]" 1
381 1 30 ARG H 1 30 ARG HG2 . . 4.310 2.187 1.951 2.460 . 0 0 "[ . 1 . 2]" 1
382 1 30 ARG H 1 30 ARG HG3 . . 4.810 3.431 3.191 3.717 . 0 0 "[ . 1 . 2]" 1
383 1 30 ARG H 1 31 TYR H . . 3.590 2.660 2.537 2.764 . 0 0 "[ . 1 . 2]" 1
384 1 30 ARG HA 1 30 ARG HG2 . . 4.090 3.749 3.667 3.840 . 0 0 "[ . 1 . 2]" 1
385 1 30 ARG HA 1 31 TYR HA . . 4.970 4.840 4.767 4.931 . 0 0 "[ . 1 . 2]" 1
386 1 30 ARG HA 1 33 ARG H . . 3.920 3.427 3.162 3.814 . 0 0 "[ . 1 . 2]" 1
387 1 30 ARG HA 1 33 ARG HB2 . . 4.780 3.695 2.657 4.860 0.080 5 0 "[ . 1 . 2]" 1
388 1 30 ARG HA 1 33 ARG HB3 . . 4.700 2.725 2.055 4.488 . 0 0 "[ . 1 . 2]" 1
389 1 30 ARG HA 1 33 ARG HD3 . . 4.930 3.895 2.591 4.989 0.059 11 0 "[ . 1 . 2]" 1
390 1 30 ARG HA 1 33 ARG HG3 . . 4.710 4.093 1.989 5.474 0.764 16 2 "[ . 1 -.+ 2]" 1
391 1 30 ARG HA 1 34 GLU HG3 . . 4.990 4.888 3.423 5.456 0.466 14 0 "[ . 1 . 2]" 1
392 1 30 ARG QB 1 30 ARG HE . . 4.520 2.461 2.064 3.348 . 0 0 "[ . 1 . 2]" 1
393 1 30 ARG QB 1 31 TYR H . . 3.470 3.545 3.501 3.566 0.096 2 0 "[ . 1 . 2]" 1
394 1 30 ARG QB 1 34 GLU HG2 . . 4.820 3.344 2.944 4.012 . 0 0 "[ . 1 . 2]" 1
395 1 30 ARG QB 1 34 GLU HG3 . . 4.130 3.663 2.725 4.297 0.167 12 0 "[ . 1 . 2]" 1
396 1 30 ARG QD 1 31 TYR H . . 4.930 4.194 3.981 4.379 . 0 0 "[ . 1 . 2]" 1
397 1 30 ARG QD 1 31 TYR HA . . 4.840 4.859 4.690 4.945 0.105 8 0 "[ . 1 . 2]" 1
398 1 30 ARG QD 1 31 TYR HB2 . . 4.730 4.778 4.422 4.824 0.094 15 0 "[ . 1 . 2]" 1
399 1 30 ARG HG2 1 31 TYR HB2 . . 4.970 4.072 3.372 4.501 . 0 0 "[ . 1 . 2]" 1
400 1 30 ARG HG3 1 34 GLU HG2 . . 5.110 4.798 3.866 5.524 0.414 17 0 "[ . 1 . 2]" 1
401 1 31 TYR H 1 31 TYR HB2 . . 3.580 2.370 2.208 2.566 . 0 0 "[ . 1 . 2]" 1
402 1 31 TYR H 1 31 TYR HB3 . . 3.430 2.620 2.451 2.787 . 0 0 "[ . 1 . 2]" 1
403 1 31 TYR H 1 31 TYR QD . . 4.160 4.183 4.085 4.249 0.089 8 0 "[ . 1 . 2]" 1
404 1 31 TYR H 1 32 TYR H . . 3.670 2.910 2.634 3.104 . 0 0 "[ . 1 . 2]" 1
405 1 31 TYR HA 1 31 TYR QD . . 4.120 3.212 2.862 3.364 . 0 0 "[ . 1 . 2]" 1
406 1 31 TYR HA 1 34 GLU H . . 4.390 3.905 3.618 4.321 . 0 0 "[ . 1 . 2]" 1
407 1 31 TYR HA 1 34 GLU QB . . 3.800 3.369 2.897 3.867 0.067 12 0 "[ . 1 . 2]" 1
408 1 31 TYR HA 1 35 ASN H . . 4.740 4.300 3.803 4.825 0.085 5 0 "[ . 1 . 2]" 1
409 1 31 TYR HA 1 35 ASN HD21 . . 4.860 3.565 2.952 4.713 . 0 0 "[ . 1 . 2]" 1
410 1 31 TYR HA 1 35 ASN HD22 . . 4.900 4.077 3.400 4.931 0.031 8 0 "[ . 1 . 2]" 1
411 1 31 TYR HB2 1 32 TYR H . . 4.420 3.755 3.483 3.949 . 0 0 "[ . 1 . 2]" 1
412 1 31 TYR HB2 1 87 MET ME . . 4.580 4.047 3.365 4.686 0.106 3 0 "[ . 1 . 2]" 1
413 1 31 TYR QD 1 32 TYR H . . 4.200 3.375 3.037 3.719 . 0 0 "[ . 1 . 2]" 1
414 1 31 TYR QD 1 32 TYR HA . . 4.470 3.156 2.665 3.748 . 0 0 "[ . 1 . 2]" 1
415 1 31 TYR QD 1 35 ASN QB . . 4.880 3.725 3.161 4.655 . 0 0 "[ . 1 . 2]" 1
416 1 31 TYR QD 1 83 THR MG . . 4.370 3.384 3.007 4.077 . 0 0 "[ . 1 . 2]" 1
417 1 31 TYR QD 1 87 MET HB2 . . 4.750 4.643 4.386 4.857 0.107 8 0 "[ . 1 . 2]" 1
418 1 31 TYR QD 1 87 MET ME . . 3.620 3.255 2.650 3.740 0.120 3 0 "[ . 1 . 2]" 1
419 1 31 TYR QD 1 87 MET QG . . 4.210 3.072 2.470 3.596 . 0 0 "[ . 1 . 2]" 1
420 1 31 TYR QE 1 35 ASN QB . . 4.550 3.886 3.542 4.210 . 0 0 "[ . 1 . 2]" 1
421 1 31 TYR QE 1 35 ASN HD22 . . 3.710 3.411 2.239 4.420 0.710 12 1 "[ . 1 + . 2]" 1
422 1 31 TYR QE 1 83 THR MG . . 3.620 2.914 2.524 3.737 0.117 15 0 "[ . 1 . 2]" 1
423 1 31 TYR QE 1 84 ASP HA . . 3.940 2.846 2.204 3.999 0.059 8 0 "[ . 1 . 2]" 1
424 1 31 TYR QE 1 87 MET QG . . 4.420 4.145 3.261 4.416 . 0 0 "[ . 1 . 2]" 1
425 1 32 TYR H 1 32 TYR HB2 . . 3.580 2.598 2.340 2.815 . 0 0 "[ . 1 . 2]" 1
426 1 32 TYR H 1 32 TYR HB3 . . 3.580 2.432 2.259 2.555 . 0 0 "[ . 1 . 2]" 1
427 1 32 TYR H 1 33 ARG H . . 3.690 2.850 2.690 3.004 . 0 0 "[ . 1 . 2]" 1
428 1 32 TYR H 1 87 MET ME . . 4.340 3.615 2.662 4.423 0.083 10 0 "[ . 1 . 2]" 1
429 1 32 TYR H 1 87 MET QG . . 4.690 3.717 3.267 4.116 . 0 0 "[ . 1 . 2]" 1
430 1 32 TYR HA 1 32 TYR QD . . 3.480 2.250 2.093 2.453 . 0 0 "[ . 1 . 2]" 1
431 1 32 TYR HA 1 35 ASN H . . 3.980 3.586 3.404 3.823 . 0 0 "[ . 1 . 2]" 1
432 1 32 TYR HA 1 35 ASN QB . . 4.720 3.224 2.304 4.534 . 0 0 "[ . 1 . 2]" 1
433 1 32 TYR HA 1 36 MET HA . . 4.550 4.581 4.379 4.638 0.088 16 0 "[ . 1 . 2]" 1
434 1 32 TYR HA 1 39 TYR QE . . 4.090 3.691 2.650 4.084 . 0 0 "[ . 1 . 2]" 1
435 1 32 TYR HB2 1 33 ARG H . . 4.760 3.945 3.804 4.141 . 0 0 "[ . 1 . 2]" 1
436 1 32 TYR HB3 1 33 ARG H . . 3.860 2.547 2.330 2.802 . 0 0 "[ . 1 . 2]" 1
437 1 32 TYR QD 1 33 ARG H . . 4.250 4.093 3.874 4.318 0.068 10 0 "[ . 1 . 2]" 1
438 1 32 TYR QD 1 39 TYR QE . . 3.570 2.610 2.208 3.349 . 0 0 "[ . 1 . 2]" 1
439 1 32 TYR QD 1 87 MET HB3 . . 4.140 3.590 3.104 4.066 . 0 0 "[ . 1 . 2]" 1
440 1 32 TYR QD 1 87 MET ME . . 5.240 5.026 4.595 5.331 0.091 10 0 "[ . 1 . 2]" 1
441 1 32 TYR QD 1 87 MET QG . . 4.220 3.872 3.650 4.161 . 0 0 "[ . 1 . 2]" 1
442 1 32 TYR QE 1 36 MET H . . 4.980 4.735 4.283 5.070 0.090 6 0 "[ . 1 . 2]" 1
443 1 32 TYR QE 1 36 MET ME . . 4.080 3.087 2.443 4.214 0.134 8 0 "[ . 1 . 2]" 1
444 1 32 TYR QE 1 36 MET QG . . 4.150 2.978 2.028 3.838 . 0 0 "[ . 1 . 2]" 1
445 1 32 TYR QE 1 39 TYR QB . . 4.050 3.542 2.629 4.156 0.106 9 0 "[ . 1 . 2]" 1
446 1 32 TYR QE 1 39 TYR QD . . 3.010 2.490 2.205 2.989 . 0 0 "[ . 1 . 2]" 1
447 1 32 TYR QE 1 39 TYR QE . . 3.880 3.103 2.537 3.703 . 0 0 "[ . 1 . 2]" 1
448 1 32 TYR QE 1 91 VAL H . . 5.040 5.096 4.981 5.148 0.108 6 0 "[ . 1 . 2]" 1
449 1 32 TYR QE 1 91 VAL HB . . 4.140 3.549 2.792 4.257 0.117 19 0 "[ . 1 . 2]" 1
450 1 32 TYR QE 1 91 VAL QG . . 3.390 2.590 1.914 3.096 . 0 0 "[ . 1 . 2]" 1
451 1 33 ARG H 1 33 ARG HB3 . . 4.160 2.433 2.277 2.929 . 0 0 "[ . 1 . 2]" 1
452 1 33 ARG H 1 33 ARG HD2 . . 5.010 4.811 4.490 5.518 0.508 2 1 "[ + . 1 . 2]" 1
453 1 33 ARG H 1 33 ARG HG2 . . 4.320 4.101 2.182 4.470 0.150 19 0 "[ . 1 . 2]" 1
454 1 33 ARG H 1 33 ARG HG3 . . 4.390 3.968 2.732 4.412 0.022 10 0 "[ . 1 . 2]" 1
455 1 33 ARG H 1 35 ASN H . . 4.760 4.451 4.173 4.699 . 0 0 "[ . 1 . 2]" 1
456 1 33 ARG HA 1 33 ARG HD2 . . 4.680 3.965 2.254 4.843 0.163 2 0 "[ . 1 . 2]" 1
457 1 33 ARG HA 1 33 ARG HD3 . . 4.840 4.418 3.079 4.891 0.051 6 0 "[ . 1 . 2]" 1
458 1 33 ARG HA 1 33 ARG HG2 . . 3.650 3.633 2.728 4.249 0.599 7 5 "[* . + 1* * . - 2]" 1
459 1 33 ARG HA 1 34 GLU HA . . 4.600 4.667 4.628 4.687 0.087 9 0 "[ . 1 . 2]" 1
460 1 33 ARG HA 1 36 MET H . . 4.600 3.769 3.099 4.240 . 0 0 "[ . 1 . 2]" 1
461 1 33 ARG HA 1 36 MET ME . . 4.200 3.761 2.223 4.299 0.099 9 0 "[ . 1 . 2]" 1
462 1 33 ARG HG2 1 34 GLU H . . 3.860 3.788 2.992 4.670 0.810 15 2 "[- . 1 + 2]" 1
463 1 33 ARG HG2 1 34 GLU HA . . 4.800 4.383 3.221 5.735 0.935 1 6 "[+ * * 1- * . * 2]" 1
464 1 34 GLU H 1 34 GLU QB . . 3.150 2.354 2.173 2.534 . 0 0 "[ . 1 . 2]" 1
465 1 34 GLU H 1 34 GLU HG2 . . 3.680 2.490 2.083 3.767 0.087 17 0 "[ . 1 . 2]" 1
466 1 34 GLU H 1 34 GLU HG3 . . 4.090 3.585 2.650 3.916 . 0 0 "[ . 1 . 2]" 1
467 1 34 GLU H 1 35 ASN H . . 3.060 2.625 2.359 2.916 . 0 0 "[ . 1 . 2]" 1
468 1 34 GLU H 1 35 ASN QB . . 4.780 4.654 4.370 4.708 . 0 0 "[ . 1 . 2]" 1
469 1 34 GLU H 1 35 ASN HD21 . . 5.500 4.791 3.680 5.572 0.072 1 0 "[ . 1 . 2]" 1
470 1 34 GLU HA 1 34 GLU HG2 . . 4.110 2.952 2.511 3.213 . 0 0 "[ . 1 . 2]" 1
471 1 34 GLU HA 1 34 GLU HG3 . . 4.020 3.734 3.002 3.909 . 0 0 "[ . 1 . 2]" 1
472 1 34 GLU HA 1 36 MET H . . 4.330 3.922 3.507 4.373 0.043 5 0 "[ . 1 . 2]" 1
473 1 34 GLU QB 1 35 ASN H . . 3.810 2.635 2.148 3.173 . 0 0 "[ . 1 . 2]" 1
474 1 34 GLU QB 1 35 ASN HD21 . . 4.710 3.845 3.001 4.742 0.032 1 0 "[ . 1 . 2]" 1
475 1 34 GLU QB 1 35 ASN HD22 . . 4.460 4.214 3.278 4.826 0.366 15 0 "[ . 1 . 2]" 1
476 1 34 GLU HG2 1 35 ASN H . . 4.940 4.508 4.278 4.952 0.012 17 0 "[ . 1 . 2]" 1
477 1 35 ASN H 1 35 ASN QB . . 3.700 2.451 2.273 2.900 . 0 0 "[ . 1 . 2]" 1
478 1 35 ASN H 1 35 ASN HD21 . . 4.160 3.048 1.994 3.808 . 0 0 "[ . 1 . 2]" 1
479 1 35 ASN H 1 35 ASN HD22 . . 4.660 4.032 3.520 4.416 . 0 0 "[ . 1 . 2]" 1
480 1 35 ASN H 1 36 MET H . . 3.200 2.656 2.106 3.006 . 0 0 "[ . 1 . 2]" 1
481 1 35 ASN HA 1 37 TYR H . . 4.790 3.917 3.437 4.529 . 0 0 "[ . 1 . 2]" 1
482 1 35 ASN HA 1 37 TYR QD . . 5.070 3.219 2.272 4.143 . 0 0 "[ . 1 . 2]" 1
483 1 35 ASN HA 1 37 TYR QE . . 4.140 2.969 2.157 3.722 . 0 0 "[ . 1 . 2]" 1
484 1 35 ASN HA 1 38 ARG QB . . 4.630 3.882 3.299 4.504 . 0 0 "[ . 1 . 2]" 1
485 1 35 ASN QB 1 36 MET H . . 4.860 3.607 3.399 4.058 . 0 0 "[ . 1 . 2]" 1
486 1 35 ASN QB 1 38 ARG QB . . 4.560 3.163 2.516 4.208 . 0 0 "[ . 1 . 2]" 1
487 1 35 ASN QB 1 38 ARG HD3 . . 4.940 3.334 2.451 4.318 . 0 0 "[ . 1 . 2]" 1
488 1 35 ASN QB 1 39 TYR QE . . 4.050 2.950 2.092 3.961 . 0 0 "[ . 1 . 2]" 1
489 1 36 MET H 1 36 MET HB3 . . 3.610 2.339 2.065 2.655 . 0 0 "[ . 1 . 2]" 1
490 1 36 MET H 1 36 MET ME . . 5.190 4.844 4.044 5.279 0.089 1 0 "[ . 1 . 2]" 1
491 1 36 MET H 1 36 MET QG . . 4.390 3.864 3.743 3.966 . 0 0 "[ . 1 . 2]" 1
492 1 36 MET H 1 37 TYR H . . 4.500 2.839 2.720 2.945 . 0 0 "[ . 1 . 2]" 1
493 1 36 MET H 1 37 TYR HB3 . . 4.800 4.872 4.846 4.881 0.081 1 0 "[ . 1 . 2]" 1
494 1 36 MET H 1 37 TYR QD . . 4.200 3.907 3.423 4.261 0.061 20 0 "[ . 1 . 2]" 1
495 1 36 MET HA 1 36 MET ME . . 5.260 4.011 3.185 4.695 . 0 0 "[ . 1 . 2]" 1
496 1 36 MET HA 1 39 TYR QB . . 4.480 3.368 2.668 3.673 . 0 0 "[ . 1 . 2]" 1
497 1 36 MET HA 1 39 TYR QD . . 3.540 3.329 2.537 3.606 0.066 19 0 "[ . 1 . 2]" 1
498 1 36 MET HA 1 39 TYR QE . . 3.860 3.889 3.654 3.967 0.107 11 0 "[ . 1 . 2]" 1
499 1 36 MET HB2 1 36 MET ME . . 3.250 2.744 2.186 3.347 0.097 8 0 "[ . 1 . 2]" 1
500 1 36 MET HB3 1 37 TYR HB3 . . 4.550 4.372 3.982 4.622 0.072 5 0 "[ . 1 . 2]" 1
501 1 36 MET ME 1 36 MET QG . . 2.750 2.201 1.946 2.612 . 0 0 "[ . 1 . 2]" 1
502 1 36 MET ME 1 39 TYR QB . . 5.050 4.909 4.292 5.174 0.124 2 0 "[ . 1 . 2]" 1
503 1 36 MET QG 1 37 TYR H . . 4.200 3.355 2.750 4.022 . 0 0 "[ . 1 . 2]" 1
504 1 36 MET QG 1 37 TYR HA . . 4.920 3.577 3.175 4.491 . 0 0 "[ . 1 . 2]" 1
505 1 37 TYR H 1 37 TYR HB3 . . 3.530 2.232 2.145 2.355 . 0 0 "[ . 1 . 2]" 1
506 1 37 TYR H 1 37 TYR QD . . 3.150 2.416 2.118 2.667 . 0 0 "[ . 1 . 2]" 1
507 1 37 TYR H 1 37 TYR QE . . 4.690 4.518 4.205 4.751 0.061 20 0 "[ . 1 . 2]" 1
508 1 37 TYR H 1 38 ARG HG3 . . 4.740 4.440 3.758 4.810 0.070 16 0 "[ . 1 . 2]" 1
509 1 37 TYR HA 1 37 TYR QD . . 3.870 3.728 3.668 3.766 . 0 0 "[ . 1 . 2]" 1
510 1 37 TYR HA 1 39 TYR H . . 4.650 3.714 3.360 4.175 . 0 0 "[ . 1 . 2]" 1
511 1 37 TYR QE 1 38 ARG HD3 . . 4.720 4.654 3.151 5.431 0.711 20 2 "[ . 1 . - +]" 1
512 1 37 TYR QE 1 38 ARG HG2 . . 4.240 2.894 2.616 3.236 . 0 0 "[ . 1 . 2]" 1
513 1 38 ARG H 1 38 ARG QB . . 3.690 2.539 2.397 2.919 . 0 0 "[ . 1 . 2]" 1
514 1 38 ARG H 1 38 ARG HD3 . . 4.430 4.515 4.118 4.918 0.488 8 0 "[ . 1 . 2]" 1
515 1 38 ARG H 1 38 ARG HG3 . . 3.760 2.395 2.000 2.802 . 0 0 "[ . 1 . 2]" 1
516 1 38 ARG H 1 39 TYR H . . 3.370 2.653 2.468 2.946 . 0 0 "[ . 1 . 2]" 1
517 1 38 ARG HA 1 38 ARG HG2 . . 4.030 2.744 2.385 3.952 . 0 0 "[ . 1 . 2]" 1
518 1 38 ARG HA 1 39 TYR QD . . 5.050 4.436 4.199 4.805 . 0 0 "[ . 1 . 2]" 1
519 1 38 ARG QB 1 38 ARG HE . . 4.740 3.091 1.997 4.070 . 0 0 "[ . 1 . 2]" 1
520 1 38 ARG QB 1 39 TYR H . . 4.230 3.339 2.623 3.972 . 0 0 "[ . 1 . 2]" 1
521 1 38 ARG QB 1 39 TYR QD . . 3.610 2.636 2.070 3.262 . 0 0 "[ . 1 . 2]" 1
522 1 38 ARG QB 1 39 TYR QE . . 3.890 3.128 2.600 3.860 . 0 0 "[ . 1 . 2]" 1
523 1 38 ARG HG3 1 39 TYR QE . . 5.040 4.595 2.585 5.114 0.074 10 0 "[ . 1 . 2]" 1
524 1 39 TYR H 1 39 TYR QB . . 3.460 2.424 2.219 2.519 . 0 0 "[ . 1 . 2]" 1
525 1 39 TYR H 1 39 TYR QD . . 4.370 2.958 2.305 3.258 . 0 0 "[ . 1 . 2]" 1
526 1 39 TYR HA 1 39 TYR QD . . 3.080 2.440 2.086 3.095 0.015 8 0 "[ . 1 . 2]" 1
527 1 39 TYR HA 1 40 PRO HD2 . . 4.000 2.542 2.041 3.004 . 0 0 "[ . 1 . 2]" 1
528 1 39 TYR QB 1 40 PRO HD3 . . 4.620 3.485 2.956 4.395 . 0 0 "[ . 1 . 2]" 1
529 1 39 TYR QB 1 88 MET HG3 . . 4.940 3.945 2.340 5.016 0.076 8 0 "[ . 1 . 2]" 1
530 1 39 TYR QB 1 91 VAL QG . . 5.060 3.631 2.624 4.410 . 0 0 "[ . 1 . 2]" 1
531 1 39 TYR QD 1 88 MET HA . . 4.200 3.434 3.020 4.090 . 0 0 "[ . 1 . 2]" 1
532 1 39 TYR QD 1 88 MET HG2 . . 4.290 3.056 2.420 3.766 . 0 0 "[ . 1 . 2]" 1
533 1 39 TYR QD 1 91 VAL QG . . 3.690 2.726 2.076 3.500 . 0 0 "[ . 1 . 2]" 1
534 1 39 TYR QE 1 84 ASP QB . . 3.960 3.164 2.374 3.975 0.015 15 0 "[ . 1 . 2]" 1
535 1 39 TYR QE 1 87 MET H . . 5.270 5.003 4.577 5.342 0.072 17 0 "[ . 1 . 2]" 1
536 1 39 TYR QE 1 87 MET HB2 . . 3.860 3.074 2.347 3.596 . 0 0 "[ . 1 . 2]" 1
537 1 39 TYR QE 1 87 MET HB3 . . 3.860 2.604 2.090 2.956 . 0 0 "[ . 1 . 2]" 1
538 1 39 TYR QE 1 87 MET QG . . 4.420 3.888 3.172 4.257 . 0 0 "[ . 1 . 2]" 1
539 1 39 TYR QE 1 88 MET HB2 . . 4.830 4.759 3.860 4.931 0.101 19 0 "[ . 1 . 2]" 1
540 1 39 TYR QE 1 91 VAL QG . . 5.160 3.313 2.502 4.055 . 0 0 "[ . 1 . 2]" 1
541 1 40 PRO HA 1 41 ASN H . . 3.030 2.309 2.130 2.603 . 0 0 "[ . 1 . 2]" 1
542 1 40 PRO HA 1 42 GLN H . . 4.530 3.974 3.575 4.396 . 0 0 "[ . 1 . 2]" 1
543 1 40 PRO HB2 1 42 GLN H . . 3.610 2.396 2.005 2.818 . 0 0 "[ . 1 . 2]" 1
544 1 40 PRO HB2 1 65 THR MG . . 4.160 3.740 3.098 4.235 0.075 16 0 "[ . 1 . 2]" 1
545 1 40 PRO HB2 1 92 VAL QG . . 5.220 4.654 4.034 4.988 . 0 0 "[ . 1 . 2]" 1
546 1 40 PRO HB3 1 41 ASN H . . 4.020 3.605 3.131 3.973 . 0 0 "[ . 1 . 2]" 1
547 1 40 PRO HB3 1 42 GLN H . . 4.240 3.964 3.671 4.224 . 0 0 "[ . 1 . 2]" 1
548 1 40 PRO HD2 1 88 MET ME . . 4.830 4.027 2.928 4.892 0.062 8 0 "[ . 1 . 2]" 1
549 1 40 PRO HG2 1 92 VAL QG . . 5.100 3.230 2.542 3.805 . 0 0 "[ . 1 . 2]" 1
550 1 40 PRO HG3 1 65 THR MG . . 3.400 3.131 2.425 4.175 0.775 17 2 "[ . - 1 . + 2]" 1
551 1 40 PRO HG3 1 69 HIS HD2 . . 4.230 4.015 2.801 4.315 0.085 11 0 "[ . 1 . 2]" 1
552 1 40 PRO HG3 1 88 MET ME . . 4.920 4.359 3.527 5.028 0.108 14 0 "[ . 1 . 2]" 1
553 1 40 PRO HG3 1 92 VAL QG . . 5.490 4.090 3.359 4.976 . 0 0 "[ . 1 . 2]" 1
554 1 41 ASN H 1 42 GLN H . . 3.010 2.553 1.943 3.031 0.021 2 0 "[ . 1 . 2]" 1
555 1 41 ASN HA 1 41 ASN HD21 . . 4.230 4.009 3.710 4.308 0.078 12 0 "[ . 1 . 2]" 1
556 1 41 ASN HA 1 41 ASN HD22 . . 5.300 5.073 4.474 5.296 . 0 0 "[ . 1 . 2]" 1
557 1 41 ASN HA 1 95 MET ME . . 4.130 3.507 2.715 4.229 0.099 6 0 "[ . 1 . 2]" 1
558 1 41 ASN HD21 1 42 GLN H . . 4.530 4.085 2.818 4.611 0.081 3 0 "[ . 1 . 2]" 1
559 1 41 ASN HD21 1 42 GLN HG2 . . 4.790 3.658 2.377 5.074 0.284 12 0 "[ . 1 . 2]" 1
560 1 41 ASN HD21 1 42 GLN HG3 . . 5.010 2.666 1.929 3.945 . 0 0 "[ . 1 . 2]" 1
561 1 42 GLN H 1 42 GLN HG2 . . 4.880 4.182 3.540 4.704 . 0 0 "[ . 1 . 2]" 1
562 1 42 GLN H 1 42 GLN HG3 . . 4.670 3.871 3.025 4.951 0.281 4 0 "[ . 1 . 2]" 1
563 1 42 GLN H 1 43 VAL QG . . 5.200 4.565 3.758 5.081 . 0 0 "[ . 1 . 2]" 1
564 1 42 GLN H 1 65 THR MG . . 5.130 4.501 3.975 4.825 . 0 0 "[ . 1 . 2]" 1
565 1 42 GLN H 1 95 MET ME . . 4.310 3.639 2.818 4.416 0.106 9 0 "[ . 1 . 2]" 1
566 1 42 GLN HA 1 43 VAL H . . 3.200 2.490 2.246 2.728 . 0 0 "[ . 1 . 2]" 1
567 1 42 GLN HB2 1 43 VAL H . . 4.690 3.715 3.447 4.354 . 0 0 "[ . 1 . 2]" 1
568 1 42 GLN HB3 1 42 GLN QE . . 4.470 2.836 2.137 4.034 . 0 0 "[ . 1 . 2]" 1
569 1 42 GLN HB3 1 43 VAL H . . 4.270 2.347 1.989 3.418 . 0 0 "[ . 1 . 2]" 1
570 1 42 GLN QE 1 43 VAL H . . 4.980 3.673 2.433 4.651 . 0 0 "[ . 1 . 2]" 1
571 1 42 GLN HG2 1 43 VAL H . . 5.090 3.674 2.682 4.414 . 0 0 "[ . 1 . 2]" 1
572 1 43 VAL H 1 43 VAL QG . . 4.180 2.431 2.149 2.827 . 0 0 "[ . 1 . 2]" 1
573 1 43 VAL H 1 95 MET ME . . 4.730 3.982 3.429 4.822 0.092 9 0 "[ . 1 . 2]" 1
574 1 43 VAL HA 1 44 TYR H . . 3.320 2.271 2.036 2.485 . 0 0 "[ . 1 . 2]" 1
575 1 43 VAL HA 1 65 THR MG . . 3.790 1.986 1.887 2.158 . 0 0 "[ . 1 . 2]" 1
576 1 43 VAL HB 1 65 THR MG . . 4.320 3.179 2.376 4.298 . 0 0 "[ . 1 . 2]" 1
577 1 43 VAL QG 1 44 TYR H . . 3.800 2.408 2.203 2.689 . 0 0 "[ . 1 . 2]" 1
578 1 43 VAL QG 1 44 TYR QD . . 4.710 3.911 3.675 4.242 . 0 0 "[ . 1 . 2]" 1
579 1 43 VAL QG 1 45 TYR QD . . 4.480 4.124 3.571 4.505 0.025 6 0 "[ . 1 . 2]" 1
580 1 43 VAL QG 1 62 VAL HB . . 4.930 4.946 4.892 4.986 0.056 5 0 "[ . 1 . 2]" 1
581 1 43 VAL QG 1 62 VAL QG . . 4.060 3.032 2.745 3.142 . 0 0 "[ . 1 . 2]" 1
582 1 43 VAL QG 1 65 THR MG . . 3.760 2.231 1.930 2.489 . 0 0 "[ . 1 . 2]" 1
583 1 43 VAL QG 1 95 MET H . . 5.020 4.430 4.012 4.745 . 0 0 "[ . 1 . 2]" 1
584 1 43 VAL QG 1 95 MET QB . . 4.100 2.625 2.049 3.381 . 0 0 "[ . 1 . 2]" 1
585 1 43 VAL QG 1 95 MET ME . . 3.460 2.325 1.825 3.121 . 0 0 "[ . 1 . 2]" 1
586 1 43 VAL QG 1 96 CYS H . . 4.500 3.110 2.859 3.518 . 0 0 "[ . 1 . 2]" 1
587 1 43 VAL QG 1 96 CYS HA . . 4.290 2.520 2.143 3.312 . 0 0 "[ . 1 . 2]" 1
588 1 43 VAL QG 1 96 CYS QB . . 5.340 2.548 1.954 3.587 . 0 0 "[ . 1 . 2]" 1
589 1 44 TYR H 1 44 TYR QD . . 4.070 2.444 2.070 3.179 . 0 0 "[ . 1 . 2]" 1
590 1 44 TYR H 1 44 TYR QE . . 4.230 4.328 4.302 4.344 0.114 16 0 "[ . 1 . 2]" 1
591 1 44 TYR H 1 65 THR HG1 . . 3.670 2.339 2.194 2.512 . 0 0 "[ . 1 . 2]" 1
592 1 44 TYR H 1 65 THR MG . . 4.380 3.019 2.512 3.397 . 0 0 "[ . 1 . 2]" 1
593 1 44 TYR HA 1 45 TYR H . . 3.170 2.453 2.217 2.725 . 0 0 "[ . 1 . 2]" 1
594 1 44 TYR QB 1 45 TYR H . . 4.470 2.474 2.240 2.910 . 0 0 "[ . 1 . 2]" 1
595 1 44 TYR QB 1 45 TYR QD . . 5.090 4.268 3.999 4.804 . 0 0 "[ . 1 . 2]" 1
596 1 44 TYR QB 1 64 ILE QG . . 5.110 4.303 3.814 4.774 . 0 0 "[ . 1 . 2]" 1
597 1 44 TYR QB 1 64 ILE MG . . 4.000 2.331 2.053 2.709 . 0 0 "[ . 1 . 2]" 1
598 1 44 TYR QB 1 65 THR HA . . 4.790 3.781 3.207 4.309 . 0 0 "[ . 1 . 2]" 1
599 1 44 TYR QD 1 64 ILE MG . . 4.360 2.998 1.972 3.864 . 0 0 "[ . 1 . 2]" 1
600 1 44 TYR QD 1 65 THR HA . . 3.500 2.602 2.042 3.572 0.072 13 0 "[ . 1 . 2]" 1
601 1 44 TYR QD 1 65 THR MG . . 3.900 2.952 2.200 3.995 0.095 13 0 "[ . 1 . 2]" 1
602 1 44 TYR QD 1 68 GLN QB . . 4.430 3.507 2.766 3.892 . 0 0 "[ . 1 . 2]" 1
603 1 44 TYR QD 1 68 GLN QE . . 4.940 4.313 3.311 4.870 . 0 0 "[ . 1 . 2]" 1
604 1 44 TYR QD 1 68 GLN QG . . 5.060 3.186 2.049 4.220 . 0 0 "[ . 1 . 2]" 1
605 1 44 TYR QE 1 65 THR MG . . 3.830 3.233 2.500 3.935 0.105 2 0 "[ . 1 . 2]" 1
606 1 44 TYR QE 1 68 GLN QB . . 4.260 2.890 2.024 3.939 . 0 0 "[ . 1 . 2]" 1
607 1 44 TYR QE 1 68 GLN QG . . 4.650 3.071 2.138 4.527 . 0 0 "[ . 1 . 2]" 1
608 1 45 TYR H 1 45 TYR QD . . 3.790 2.700 2.379 2.990 . 0 0 "[ . 1 . 2]" 1
609 1 45 TYR H 1 46 ARG H . . 4.740 4.345 4.240 4.443 . 0 0 "[ . 1 . 2]" 1
610 1 45 TYR HA 1 45 TYR QD . . 4.440 3.769 3.714 3.788 . 0 0 "[ . 1 . 2]" 1
611 1 45 TYR HA 1 46 ARG H . . 3.480 2.518 2.383 2.656 . 0 0 "[ . 1 . 2]" 1
612 1 45 TYR HA 1 46 ARG HB2 . . 4.560 4.368 4.107 4.637 0.077 19 0 "[ . 1 . 2]" 1
613 1 45 TYR HA 1 46 ARG HG3 . . 4.260 4.208 3.743 4.343 0.083 17 0 "[ . 1 . 2]" 1
614 1 45 TYR HB2 1 46 ARG H . . 4.570 2.214 2.051 2.427 . 0 0 "[ . 1 . 2]" 1
615 1 45 TYR HB2 1 57 PHE QD . . 4.500 4.318 3.794 4.595 0.095 11 0 "[ . 1 . 2]" 1
616 1 45 TYR HB2 1 57 PHE QE . . 4.330 2.774 2.235 3.192 . 0 0 "[ . 1 . 2]" 1
617 1 45 TYR HB3 1 46 ARG H . . 3.800 3.686 3.558 3.859 0.059 1 0 "[ . 1 . 2]" 1
618 1 45 TYR QD 1 46 ARG H . . 4.090 2.915 2.491 3.288 . 0 0 "[ . 1 . 2]" 1
619 1 45 TYR QD 1 46 ARG HA . . 4.180 3.871 3.505 4.202 0.022 8 0 "[ . 1 . 2]" 1
620 1 45 TYR QD 1 47 PRO HA . . 3.960 3.749 3.032 4.054 0.094 14 0 "[ . 1 . 2]" 1
621 1 45 TYR QE 1 47 PRO HA . . 4.280 3.811 3.059 4.356 0.076 11 0 "[ . 1 . 2]" 1
622 1 45 TYR QE 1 103 GLU HG2 . . 3.800 3.716 2.652 4.305 0.505 11 1 "[ . 1+ . 2]" 1
623 1 46 ARG H 1 46 ARG HB2 . . 3.980 2.603 2.389 2.780 . 0 0 "[ . 1 . 2]" 1
624 1 46 ARG H 1 46 ARG HG3 . . 4.710 3.592 3.122 3.807 . 0 0 "[ . 1 . 2]" 1
625 1 46 ARG H 1 51 TYR QE . . 4.440 4.398 3.564 4.526 0.086 1 0 "[ . 1 . 2]" 1
626 1 46 ARG HA 1 46 ARG QD . . 5.070 3.763 3.044 4.061 . 0 0 "[ . 1 . 2]" 1
627 1 46 ARG HA 1 47 PRO QD . . 3.600 2.213 2.085 2.357 . 0 0 "[ . 1 . 2]" 1
628 1 46 ARG HB2 1 47 PRO QD . . 4.470 3.592 3.336 3.710 . 0 0 "[ . 1 . 2]" 1
629 1 46 ARG HB2 1 51 TYR QE . . 3.610 2.245 2.062 2.462 . 0 0 "[ . 1 . 2]" 1
630 1 46 ARG HB3 1 47 PRO QD . . 4.760 2.132 1.978 2.333 . 0 0 "[ . 1 . 2]" 1
631 1 46 ARG HB3 1 51 TYR QE . . 4.280 2.722 2.078 3.515 . 0 0 "[ . 1 . 2]" 1
632 1 46 ARG QD 1 47 PRO QD . . 5.000 3.473 2.375 4.142 . 0 0 "[ . 1 . 2]" 1
633 1 46 ARG QD 1 50 GLN QG . . 4.760 4.147 2.948 4.698 . 0 0 "[ . 1 . 2]" 1
634 1 46 ARG QD 1 51 TYR QD . . 5.150 4.934 4.260 5.085 . 0 0 "[ . 1 . 2]" 1
635 1 46 ARG QD 1 51 TYR QE . . 3.700 3.193 2.651 3.690 . 0 0 "[ . 1 . 2]" 1
636 1 46 ARG HG2 1 47 PRO QD . . 4.630 3.305 2.527 3.924 . 0 0 "[ . 1 . 2]" 1
637 1 47 PRO HA 1 48 VAL H . . 3.020 2.161 1.954 2.497 . 0 0 "[ . 1 . 2]" 1
638 1 47 PRO HA 1 48 VAL HB . . 4.510 4.469 4.234 4.607 0.097 11 0 "[ . 1 . 2]" 1
639 1 47 PRO HA 1 48 VAL QG . . 5.170 3.736 3.084 4.346 . 0 0 "[ . 1 . 2]" 1
640 1 47 PRO HA 1 49 ASP H . . 4.500 3.608 3.301 3.941 . 0 0 "[ . 1 . 2]" 1
641 1 47 PRO HA 1 49 ASP QB . . 4.670 4.369 3.883 4.636 . 0 0 "[ . 1 . 2]" 1
642 1 47 PRO HB2 1 49 ASP H . . 4.470 2.829 2.171 3.421 . 0 0 "[ . 1 . 2]" 1
643 1 47 PRO HB2 1 50 GLN H . . 4.590 3.449 2.523 4.567 . 0 0 "[ . 1 . 2]" 1
644 1 47 PRO HB2 1 50 GLN QE . . 4.630 3.996 2.783 4.593 . 0 0 "[ . 1 . 2]" 1
645 1 47 PRO HB3 1 48 VAL H . . 4.390 3.785 2.918 4.197 . 0 0 "[ . 1 . 2]" 1
646 1 47 PRO QD 1 50 GLN QE . . 4.990 3.198 2.053 4.571 . 0 0 "[ . 1 . 2]" 1
647 1 47 PRO QD 1 50 GLN QG . . 4.830 3.163 2.360 3.804 . 0 0 "[ . 1 . 2]" 1
648 1 48 VAL H 1 48 VAL HB . . 3.420 2.493 2.228 2.695 . 0 0 "[ . 1 . 2]" 1
649 1 48 VAL H 1 48 VAL QG . . 3.440 2.118 1.762 2.486 . 0 0 "[ . 1 . 2]" 1
650 1 48 VAL H 1 49 ASP H . . 3.770 2.498 2.012 2.688 . 0 0 "[ . 1 . 2]" 1
651 1 48 VAL H 1 103 GLU HB3 . . 4.290 3.262 2.672 3.825 . 0 0 "[ . 1 . 2]" 1
652 1 48 VAL HA 1 50 GLN H . . 4.440 3.724 3.322 4.481 0.041 12 0 "[ . 1 . 2]" 1
653 1 48 VAL HA 1 51 TYR QD . . 3.460 2.938 2.365 3.329 . 0 0 "[ . 1 . 2]" 1
654 1 48 VAL HA 1 57 PHE QE . . 4.610 3.780 3.119 4.493 . 0 0 "[ . 1 . 2]" 1
655 1 48 VAL HB 1 57 PHE QE . . 4.630 3.144 2.211 4.730 0.100 6 0 "[ . 1 . 2]" 1
656 1 48 VAL HB 1 100 TYR QE . . 4.340 4.232 3.531 4.438 0.098 16 0 "[ . 1 . 2]" 1
657 1 48 VAL HB 1 103 GLU HB2 . . 4.700 4.218 3.324 4.780 0.080 5 0 "[ . 1 . 2]" 1
658 1 48 VAL QG 1 49 ASP H . . 3.950 2.886 2.528 3.384 . 0 0 "[ . 1 . 2]" 1
659 1 48 VAL QG 1 49 ASP HA . . 4.980 3.740 3.357 4.256 . 0 0 "[ . 1 . 2]" 1
660 1 48 VAL QG 1 51 TYR H . . 5.330 3.792 3.434 4.414 . 0 0 "[ . 1 . 2]" 1
661 1 48 VAL QG 1 51 TYR QD . . 4.090 3.970 3.645 4.098 0.008 10 0 "[ . 1 . 2]" 1
662 1 48 VAL QG 1 57 PHE H . . 4.850 4.669 4.218 4.865 0.015 9 0 "[ . 1 . 2]" 1
663 1 48 VAL QG 1 57 PHE QD . . 4.000 2.188 2.061 2.425 . 0 0 "[ . 1 . 2]" 1
664 1 48 VAL QG 1 57 PHE QE . . 3.990 2.844 1.941 3.360 . 0 0 "[ . 1 . 2]" 1
665 1 48 VAL QG 1 100 TYR QD . . 3.900 3.356 2.349 3.861 . 0 0 "[ . 1 . 2]" 1
666 1 48 VAL QG 1 100 TYR QE . . 3.310 2.473 1.986 3.124 . 0 0 "[ . 1 . 2]" 1
667 1 48 VAL QG 1 103 GLU HA . . 4.960 4.040 3.608 4.636 . 0 0 "[ . 1 . 2]" 1
668 1 48 VAL QG 1 103 GLU HB2 . . 4.590 3.210 2.254 4.177 . 0 0 "[ . 1 . 2]" 1
669 1 48 VAL QG 1 103 GLU HB3 . . 4.030 2.650 1.971 3.377 . 0 0 "[ . 1 . 2]" 1
670 1 48 VAL QG 1 104 SER H . . 4.490 3.761 3.068 4.405 . 0 0 "[ . 1 . 2]" 1
671 1 48 VAL QG 1 104 SER HA . . 4.100 2.673 2.088 3.102 . 0 0 "[ . 1 . 2]" 1
672 1 48 VAL QG 1 104 SER HB2 . . 5.390 3.791 3.065 4.706 . 0 0 "[ . 1 . 2]" 1
673 1 48 VAL QG 1 104 SER HB3 . . 4.990 4.391 3.782 4.850 . 0 0 "[ . 1 . 2]" 1
674 1 48 VAL QG 1 107 TYR H . . 5.060 3.894 3.302 4.540 . 0 0 "[ . 1 . 2]" 1
675 1 48 VAL QG 1 107 TYR HB2 . . 4.270 2.454 1.975 3.408 . 0 0 "[ . 1 . 2]" 1
676 1 48 VAL QG 1 107 TYR HB3 . . 5.140 2.961 2.318 3.747 . 0 0 "[ . 1 . 2]" 1
677 1 48 VAL QG 1 107 TYR QD . . 3.950 2.948 2.285 3.817 . 0 0 "[ . 1 . 2]" 1
678 1 48 VAL QG 1 107 TYR QE . . 4.480 3.859 3.276 4.350 . 0 0 "[ . 1 . 2]" 1
679 1 49 ASP H 1 49 ASP QB . . 3.650 2.223 2.033 2.503 . 0 0 "[ . 1 . 2]" 1
680 1 49 ASP QB 1 50 GLN H . . 4.490 2.757 2.294 3.945 . 0 0 "[ . 1 . 2]" 1
681 1 50 GLN H 1 50 GLN HB2 . . 4.060 3.338 2.151 4.104 0.044 17 0 "[ . 1 . 2]" 1
682 1 50 GLN H 1 50 GLN HB3 . . 3.560 3.179 2.706 3.738 0.178 5 0 "[ . 1 . 2]" 1
683 1 50 GLN H 1 50 GLN QE . . 5.050 4.036 2.766 4.796 . 0 0 "[ . 1 . 2]" 1
684 1 50 GLN H 1 50 GLN QG . . 3.690 2.345 1.999 3.691 0.001 15 0 "[ . 1 . 2]" 1
685 1 50 GLN H 1 51 TYR H . . 3.650 2.419 1.872 2.694 . 0 0 "[ . 1 . 2]" 1
686 1 50 GLN H 1 51 TYR QD . . 4.450 3.590 2.839 4.400 . 0 0 "[ . 1 . 2]" 1
687 1 50 GLN HB3 1 51 TYR H . . 4.460 4.339 3.876 4.533 0.073 10 0 "[ . 1 . 2]" 1
688 1 51 TYR H 1 51 TYR HB2 . . 3.580 2.415 2.285 2.557 . 0 0 "[ . 1 . 2]" 1
689 1 51 TYR H 1 51 TYR HB3 . . 4.090 3.607 3.522 3.698 . 0 0 "[ . 1 . 2]" 1
690 1 51 TYR H 1 51 TYR QD . . 3.580 3.014 2.308 3.659 0.079 19 0 "[ . 1 . 2]" 1
691 1 51 TYR H 1 51 TYR QE . . 5.500 5.130 4.611 5.566 0.066 19 0 "[ . 1 . 2]" 1
692 1 51 TYR H 1 52 ASN H . . 4.490 4.257 2.663 4.540 0.050 9 0 "[ . 1 . 2]" 1
693 1 51 TYR HA 1 51 TYR QD . . 3.780 2.920 2.414 3.189 . 0 0 "[ . 1 . 2]" 1
694 1 51 TYR HA 1 51 TYR QE . . 4.820 4.527 4.222 4.810 . 0 0 "[ . 1 . 2]" 1
695 1 51 TYR HA 1 52 ASN H . . 3.320 2.551 2.252 3.405 0.085 17 0 "[ . 1 . 2]" 1
696 1 51 TYR HA 1 52 ASN QB . . 4.630 4.240 3.666 4.549 . 0 0 "[ . 1 . 2]" 1
697 1 51 TYR HB2 1 52 ASN H . . 4.510 3.507 2.836 4.448 . 0 0 "[ . 1 . 2]" 1
698 1 51 TYR HB3 1 52 ASN H . . 4.210 2.304 1.824 4.216 0.006 8 0 "[ . 1 . 2]" 1
699 1 51 TYR HB3 1 53 ASN H . . 3.750 3.094 2.038 3.835 0.085 10 0 "[ . 1 . 2]" 1
700 1 51 TYR QD 1 56 ASN HB2 . . 3.630 3.001 2.422 3.695 0.065 5 0 "[ . 1 . 2]" 1
701 1 51 TYR QD 1 56 ASN HB3 . . 3.570 2.682 2.167 3.427 . 0 0 "[ . 1 . 2]" 1
702 1 51 TYR QE 1 56 ASN HB3 . . 3.510 2.911 2.344 3.560 0.050 2 0 "[ . 1 . 2]" 1
703 1 52 ASN H 1 52 ASN QD . . 5.010 3.360 1.824 4.523 . 0 0 "[ . 1 . 2]" 1
704 1 52 ASN H 1 53 ASN H . . 3.460 2.212 1.804 3.127 . 0 0 "[ . 1 . 2]" 1
705 1 52 ASN QD 1 53 ASN H . . 3.880 3.418 2.460 3.876 . 0 0 "[ . 1 . 2]" 1
706 1 53 ASN H 1 53 ASN HB2 . . 3.560 3.060 2.290 4.017 0.457 9 0 "[ . 1 . 2]" 1
707 1 53 ASN H 1 54 GLN H . . 4.640 4.392 4.046 4.664 0.024 2 0 "[ . 1 . 2]" 1
708 1 53 ASN H 1 56 ASN H . . 4.650 4.452 3.957 4.734 0.084 7 0 "[ . 1 . 2]" 1
709 1 53 ASN H 1 56 ASN HB2 . . 4.500 3.375 2.720 4.280 . 0 0 "[ . 1 . 2]" 1
710 1 53 ASN HA 1 54 GLN H . . 3.160 2.154 1.975 2.650 . 0 0 "[ . 1 . 2]" 1
711 1 53 ASN HA 1 55 ASN H . . 4.580 4.090 3.594 4.471 . 0 0 "[ . 1 . 2]" 1
712 1 53 ASN HB2 1 54 GLN H . . 3.850 3.559 2.180 3.939 0.089 11 0 "[ . 1 . 2]" 1
713 1 53 ASN HB2 1 56 ASN HD21 . . 4.750 3.571 2.200 5.085 0.335 18 0 "[ . 1 . 2]" 1
714 1 53 ASN HB3 1 54 GLN H . . 3.490 3.216 2.670 3.935 0.445 18 0 "[ . 1 . 2]" 1
715 1 53 ASN HB3 1 54 GLN QB . . 4.680 4.535 3.832 5.518 0.838 7 4 "[ - . + *1 . * 2]" 1
716 1 53 ASN HB3 1 55 ASN H . . 4.190 3.238 1.951 4.858 0.668 9 1 "[ . +1 . 2]" 1
717 1 53 ASN HD21 1 55 ASN H . . 4.810 4.299 3.029 4.891 0.081 10 0 "[ . 1 . 2]" 1
718 1 53 ASN HD21 1 56 ASN HD22 . . 4.610 3.890 2.363 5.000 0.390 16 0 "[ . 1 . 2]" 1
719 1 53 ASN HD22 1 56 ASN HD21 . . 5.020 3.857 1.881 5.111 0.091 16 0 "[ . 1 . 2]" 1
720 1 53 ASN HD22 1 56 ASN HD22 . . 5.050 3.895 2.463 5.111 0.061 10 0 "[ . 1 . 2]" 1
721 1 54 GLN H 1 54 GLN QB . . 3.390 2.126 2.008 2.279 . 0 0 "[ . 1 . 2]" 1
722 1 54 GLN H 1 55 ASN H . . 3.740 2.780 2.153 3.090 . 0 0 "[ . 1 . 2]" 1
723 1 54 GLN HA 1 54 GLN HG3 . . 4.270 3.621 3.173 3.824 . 0 0 "[ . 1 . 2]" 1
724 1 54 GLN HA 1 57 PHE HB3 . . 4.430 2.664 2.343 3.318 . 0 0 "[ . 1 . 2]" 1
725 1 54 GLN HA 1 57 PHE QD . . 4.150 4.122 3.383 4.260 0.110 12 0 "[ . 1 . 2]" 1
726 1 54 GLN HA 1 58 VAL QG . . 4.690 3.902 3.214 4.507 . 0 0 "[ . 1 . 2]" 1
727 1 54 GLN HA 1 100 TYR QE . . 3.830 3.224 2.598 3.936 0.106 7 0 "[ . 1 . 2]" 1
728 1 54 GLN QB 1 55 ASN H . . 3.550 2.633 2.396 2.928 . 0 0 "[ . 1 . 2]" 1
729 1 54 GLN QB 1 55 ASN HB2 . . 4.830 4.482 3.954 5.607 0.777 1 2 "[+ . 1- . 2]" 1
730 1 54 GLN QB 1 58 VAL QG . . 5.220 4.274 3.862 4.569 . 0 0 "[ . 1 . 2]" 1
731 1 54 GLN QB 1 100 TYR QE . . 3.760 3.432 2.620 3.756 . 0 0 "[ . 1 . 2]" 1
732 1 54 GLN QE 1 55 ASN HA . . 4.910 3.588 2.310 4.784 . 0 0 "[ . 1 . 2]" 1
733 1 54 GLN QE 1 58 VAL H . . 4.760 3.554 3.161 3.964 . 0 0 "[ . 1 . 2]" 1
734 1 54 GLN QE 1 58 VAL HA . . 4.800 4.529 4.044 4.710 . 0 0 "[ . 1 . 2]" 1
735 1 54 GLN QE 1 58 VAL QG . . 4.170 1.766 1.593 2.247 . 0 0 "[ . 1 . 2]" 1
736 1 54 GLN QE 1 97 VAL QG . . 4.720 2.834 2.222 3.291 . 0 0 "[ . 1 . 2]" 1
737 1 54 GLN QE 1 100 TYR QE . . 4.410 3.745 2.578 4.358 . 0 0 "[ . 1 . 2]" 1
738 1 54 GLN HG2 1 55 ASN H . . 4.180 4.275 3.931 4.992 0.812 2 2 "[ + . - 1 . 2]" 1
739 1 54 GLN HG2 1 58 VAL QG . . 4.430 3.440 2.271 4.442 0.012 15 0 "[ . 1 . 2]" 1
740 1 54 GLN HG2 1 97 VAL QG . . 5.190 4.496 3.558 4.828 . 0 0 "[ . 1 . 2]" 1
741 1 55 ASN H 1 55 ASN HB2 . . 3.520 2.520 2.234 3.210 . 0 0 "[ . 1 . 2]" 1
742 1 55 ASN H 1 55 ASN HB3 . . 3.110 2.677 1.985 3.121 0.011 20 0 "[ . 1 . 2]" 1
743 1 55 ASN HA 1 58 VAL H . . 4.730 3.748 3.296 4.118 . 0 0 "[ . 1 . 2]" 1
744 1 55 ASN HA 1 58 VAL HB . . 4.170 3.154 2.438 4.255 0.085 19 0 "[ . 1 . 2]" 1
745 1 55 ASN HA 1 58 VAL QG . . 4.690 3.543 1.989 3.931 . 0 0 "[ . 1 . 2]" 1
746 1 55 ASN HA 1 59 HIS H . . 4.640 3.962 3.437 4.248 . 0 0 "[ . 1 . 2]" 1
747 1 55 ASN HB2 1 56 ASN H . . 3.920 3.931 3.743 4.004 0.084 10 0 "[ . 1 . 2]" 1
748 1 55 ASN HB3 1 55 ASN HD21 . . 3.660 2.847 2.247 3.652 . 0 0 "[ . 1 . 2]" 1
749 1 55 ASN HB3 1 56 ASN H . . 3.690 2.989 2.566 3.646 . 0 0 "[ . 1 . 2]" 1
750 1 56 ASN H 1 56 ASN HB3 . . 3.360 3.468 3.433 3.657 0.297 16 0 "[ . 1 . 2]" 1
751 1 56 ASN H 1 56 ASN HD21 . . 4.820 3.160 2.200 4.250 . 0 0 "[ . 1 . 2]" 1
752 1 56 ASN H 1 57 PHE H . . 3.660 2.600 2.366 2.926 . 0 0 "[ . 1 . 2]" 1
753 1 56 ASN H 1 59 HIS H . . 4.590 4.643 4.550 4.676 0.086 17 0 "[ . 1 . 2]" 1
754 1 56 ASN HA 1 56 ASN HD22 . . 4.800 4.076 3.469 4.660 . 0 0 "[ . 1 . 2]" 1
755 1 56 ASN HA 1 58 VAL H . . 5.370 4.945 4.378 5.277 . 0 0 "[ . 1 . 2]" 1
756 1 56 ASN HA 1 59 HIS H . . 4.460 3.485 3.024 4.114 . 0 0 "[ . 1 . 2]" 1
757 1 56 ASN HA 1 59 HIS QB . . 4.610 2.525 1.997 3.038 . 0 0 "[ . 1 . 2]" 1
758 1 56 ASN HB2 1 57 PHE H . . 4.610 2.853 2.402 3.682 . 0 0 "[ . 1 . 2]" 1
759 1 57 PHE H 1 57 PHE HB3 . . 3.990 2.530 2.297 2.798 . 0 0 "[ . 1 . 2]" 1
760 1 57 PHE H 1 58 VAL H . . 3.610 2.958 2.630 3.118 . 0 0 "[ . 1 . 2]" 1
761 1 57 PHE HB2 1 58 VAL QG . . 5.080 4.481 3.973 5.037 . 0 0 "[ . 1 . 2]" 1
762 1 57 PHE HB3 1 58 VAL H . . 3.820 2.233 1.830 2.600 . 0 0 "[ . 1 . 2]" 1
763 1 57 PHE HB3 1 58 VAL QG . . 5.130 3.017 2.463 3.701 . 0 0 "[ . 1 . 2]" 1
764 1 57 PHE QD 1 103 GLU HB2 . . 4.740 4.820 4.750 4.838 0.098 1 0 "[ . 1 . 2]" 1
765 1 57 PHE QE 1 58 VAL H . . 5.040 5.105 4.679 5.143 0.103 1 0 "[ . 1 . 2]" 1
766 1 57 PHE QE 1 58 VAL QG . . 4.960 3.880 3.297 4.444 . 0 0 "[ . 1 . 2]" 1
767 1 57 PHE HZ 1 103 GLU HB3 . . 4.690 4.170 3.675 4.749 0.059 17 0 "[ . 1 . 2]" 1
768 1 58 VAL H 1 58 VAL HB . . 3.240 2.434 2.261 2.845 . 0 0 "[ . 1 . 2]" 1
769 1 58 VAL H 1 58 VAL QG . . 3.510 2.108 1.827 2.427 . 0 0 "[ . 1 . 2]" 1
770 1 58 VAL H 1 59 HIS H . . 3.670 2.892 2.675 3.103 . 0 0 "[ . 1 . 2]" 1
771 1 58 VAL HA 1 62 VAL H . . 4.940 3.853 3.570 4.203 . 0 0 "[ . 1 . 2]" 1
772 1 58 VAL HB 1 59 HIS H . . 3.520 3.022 2.502 3.628 0.108 19 0 "[ . 1 . 2]" 1
773 1 58 VAL QG 1 59 HIS H . . 4.270 3.319 2.116 3.565 . 0 0 "[ . 1 . 2]" 1
774 1 58 VAL QG 1 93 GLU HA . . 4.160 2.974 2.265 3.697 . 0 0 "[ . 1 . 2]" 1
775 1 58 VAL QG 1 93 GLU QG . . 4.270 2.545 1.929 3.681 . 0 0 "[ . 1 . 2]" 1
776 1 58 VAL QG 1 96 CYS H . . 4.920 4.431 4.031 4.730 . 0 0 "[ . 1 . 2]" 1
777 1 58 VAL QG 1 96 CYS QB . . 4.660 2.381 1.987 2.778 . 0 0 "[ . 1 . 2]" 1
778 1 58 VAL QG 1 97 VAL QG . . 2.620 2.097 1.818 2.361 . 0 0 "[ . 1 . 2]" 1
779 1 58 VAL QG 1 100 TYR HB3 . . 5.180 3.395 2.700 4.203 . 0 0 "[ . 1 . 2]" 1
780 1 58 VAL QG 1 100 TYR QD . . 3.880 3.415 2.653 3.962 0.082 2 0 "[ . 1 . 2]" 1
781 1 59 HIS H 1 59 HIS QB . . 3.090 2.195 2.080 2.390 . 0 0 "[ . 1 . 2]" 1
782 1 59 HIS H 1 60 ASP H . . 3.710 2.844 2.616 3.048 . 0 0 "[ . 1 . 2]" 1
783 1 59 HIS HA 1 59 HIS HD2 . . 4.310 2.409 2.021 3.575 . 0 0 "[ . 1 . 2]" 1
784 1 59 HIS HA 1 60 ASP HA . . 4.770 4.777 4.495 4.849 0.079 6 0 "[ . 1 . 2]" 1
785 1 59 HIS HA 1 61 CYS H . . 4.450 4.461 4.240 4.521 0.071 17 0 "[ . 1 . 2]" 1
786 1 59 HIS HA 1 61 CYS HB3 . . 4.690 4.760 4.735 4.778 0.088 17 0 "[ . 1 . 2]" 1
787 1 59 HIS HA 1 62 VAL H . . 4.350 3.827 3.518 3.995 . 0 0 "[ . 1 . 2]" 1
788 1 59 HIS HA 1 62 VAL HB . . 4.150 3.322 2.886 3.703 . 0 0 "[ . 1 . 2]" 1
789 1 59 HIS HA 1 62 VAL QG . . 4.900 3.592 2.907 3.978 . 0 0 "[ . 1 . 2]" 1
790 1 59 HIS HA 1 63 ASN HD22 . . 4.870 4.485 3.583 4.913 0.043 16 0 "[ . 1 . 2]" 1
791 1 59 HIS QB 1 60 ASP H . . 3.730 2.301 1.908 2.568 . 0 0 "[ . 1 . 2]" 1
792 1 59 HIS HD2 1 60 ASP H . . 4.550 4.534 3.265 4.640 0.090 16 0 "[ . 1 . 2]" 1
793 1 59 HIS HD2 1 62 VAL HB . . 4.510 4.005 3.029 4.603 0.093 19 0 "[ . 1 . 2]" 1
794 1 59 HIS HD2 1 63 ASN HB2 . . 4.500 4.508 3.952 4.589 0.089 4 0 "[ . 1 . 2]" 1
795 1 59 HIS HD2 1 63 ASN HD21 . . 4.360 2.658 2.052 3.759 . 0 0 "[ . 1 . 2]" 1
796 1 60 ASP H 1 60 ASP QB . . 3.270 2.244 2.076 2.482 . 0 0 "[ . 1 . 2]" 1
797 1 60 ASP H 1 61 CYS H . . 3.530 2.749 2.588 2.983 . 0 0 "[ . 1 . 2]" 1
798 1 60 ASP H 1 63 ASN H . . 4.690 4.647 4.531 4.743 0.053 17 0 "[ . 1 . 2]" 1
799 1 60 ASP H 1 63 ASN HD21 . . 4.060 4.137 4.117 4.151 0.091 19 0 "[ . 1 . 2]" 1
800 1 60 ASP HA 1 63 ASN H . . 4.040 3.281 2.898 3.505 . 0 0 "[ . 1 . 2]" 1
801 1 60 ASP HA 1 63 ASN HB2 . . 4.300 2.154 1.950 2.765 . 0 0 "[ . 1 . 2]" 1
802 1 60 ASP HA 1 63 ASN HB3 . . 4.220 3.652 3.069 4.273 0.053 1 0 "[ . 1 . 2]" 1
803 1 60 ASP HA 1 63 ASN HD21 . . 4.310 2.838 2.067 3.805 . 0 0 "[ . 1 . 2]" 1
804 1 60 ASP QB 1 61 CYS H . . 3.850 2.838 2.525 3.823 . 0 0 "[ . 1 . 2]" 1
805 1 61 CYS H 1 61 CYS HB2 . . 3.600 2.499 2.364 2.765 . 0 0 "[ . 1 . 2]" 1
806 1 61 CYS H 1 61 CYS HB3 . . 3.660 2.248 2.076 2.386 . 0 0 "[ . 1 . 2]" 1
807 1 61 CYS H 1 62 VAL H . . 3.570 2.943 2.821 3.058 . 0 0 "[ . 1 . 2]" 1
808 1 61 CYS H 1 63 ASN H . . 4.790 4.023 3.735 4.177 . 0 0 "[ . 1 . 2]" 1
809 1 61 CYS HB2 1 62 VAL H . . 4.530 3.718 3.591 3.914 . 0 0 "[ . 1 . 2]" 1
810 1 61 CYS HB2 1 62 VAL QG . . 5.120 4.492 4.226 4.734 . 0 0 "[ . 1 . 2]" 1
811 1 61 CYS HB3 1 62 VAL H . . 3.810 2.241 2.087 2.615 . 0 0 "[ . 1 . 2]" 1
812 1 61 CYS HB3 1 62 VAL QG . . 5.050 3.087 2.809 3.553 . 0 0 "[ . 1 . 2]" 1
813 1 62 VAL H 1 62 VAL HB . . 3.110 2.291 2.202 2.395 . 0 0 "[ . 1 . 2]" 1
814 1 62 VAL H 1 62 VAL QG . . 3.400 2.165 2.094 2.243 . 0 0 "[ . 1 . 2]" 1
815 1 62 VAL H 1 63 ASN H . . 3.540 2.731 2.584 2.836 . 0 0 "[ . 1 . 2]" 1
816 1 62 VAL H 1 64 ILE H . . 4.790 4.569 4.315 4.741 . 0 0 "[ . 1 . 2]" 1
817 1 62 VAL H 1 92 VAL QG . . 5.040 4.207 3.941 4.704 . 0 0 "[ . 1 . 2]" 1
818 1 62 VAL HA 1 65 THR HB . . 4.510 2.485 2.233 2.895 . 0 0 "[ . 1 . 2]" 1
819 1 62 VAL HA 1 66 ILE H . . 4.810 4.136 3.874 4.429 . 0 0 "[ . 1 . 2]" 1
820 1 62 VAL HA 1 92 VAL QG . . 3.280 2.240 1.987 2.812 . 0 0 "[ . 1 . 2]" 1
821 1 62 VAL HB 1 63 ASN H . . 3.340 2.679 2.471 2.935 . 0 0 "[ . 1 . 2]" 1
822 1 62 VAL HB 1 63 ASN HA . . 4.470 4.389 4.244 4.534 0.064 8 0 "[ . 1 . 2]" 1
823 1 62 VAL QG 1 63 ASN H . . 4.250 3.253 3.064 3.448 . 0 0 "[ . 1 . 2]" 1
824 1 62 VAL QG 1 63 ASN HA . . 4.370 3.413 3.132 3.770 . 0 0 "[ . 1 . 2]" 1
825 1 62 VAL QG 1 66 ILE H . . 4.860 3.903 3.637 4.177 . 0 0 "[ . 1 . 2]" 1
826 1 62 VAL QG 1 66 ILE QG . . 5.340 2.511 2.065 2.963 . 0 0 "[ . 1 . 2]" 1
827 1 62 VAL QG 1 89 GLU HA . . 4.330 2.313 2.112 2.764 . 0 0 "[ . 1 . 2]" 1
828 1 62 VAL QG 1 89 GLU QG . . 5.220 2.620 2.131 4.343 . 0 0 "[ . 1 . 2]" 1
829 1 62 VAL QG 1 92 VAL H . . 5.310 3.864 3.660 4.108 . 0 0 "[ . 1 . 2]" 1
830 1 62 VAL QG 1 92 VAL QG . . 3.310 1.923 1.727 2.007 . 0 0 "[ . 1 . 2]" 1
831 1 62 VAL QG 1 93 GLU H . . 4.280 2.926 2.760 3.284 . 0 0 "[ . 1 . 2]" 1
832 1 62 VAL QG 1 93 GLU HA . . 3.270 2.128 1.889 2.377 . 0 0 "[ . 1 . 2]" 1
833 1 62 VAL QG 1 93 GLU QB . . 4.830 2.796 2.373 3.452 . 0 0 "[ . 1 . 2]" 1
834 1 62 VAL QG 1 96 CYS H . . 4.570 3.779 3.509 4.260 . 0 0 "[ . 1 . 2]" 1
835 1 62 VAL QG 1 96 CYS QB . . 4.760 2.377 2.058 2.667 . 0 0 "[ . 1 . 2]" 1
836 1 63 ASN H 1 63 ASN HB2 . . 3.550 2.322 2.041 2.515 . 0 0 "[ . 1 . 2]" 1
837 1 63 ASN H 1 63 ASN HB3 . . 3.560 3.563 3.277 3.633 0.073 20 0 "[ . 1 . 2]" 1
838 1 63 ASN H 1 64 ILE H . . 3.580 2.879 2.499 3.054 . 0 0 "[ . 1 . 2]" 1
839 1 63 ASN H 1 64 ILE MD . . 5.500 5.184 4.198 5.611 0.111 16 0 "[ . 1 . 2]" 1
840 1 63 ASN H 1 66 ILE H . . 4.720 4.727 4.578 4.797 0.077 13 0 "[ . 1 . 2]" 1
841 1 63 ASN HA 1 66 ILE HB . . 4.540 2.881 2.631 3.121 . 0 0 "[ . 1 . 2]" 1
842 1 63 ASN HA 1 66 ILE MD . . 5.080 3.872 2.829 4.932 . 0 0 "[ . 1 . 2]" 1
843 1 63 ASN HB2 1 64 ILE H . . 3.850 2.663 2.363 3.092 . 0 0 "[ . 1 . 2]" 1
844 1 63 ASN HB2 1 64 ILE QG . . 4.740 4.098 3.320 4.828 0.088 17 0 "[ . 1 . 2]" 1
845 1 63 ASN HB3 1 64 ILE H . . 3.770 3.099 2.711 3.758 . 0 0 "[ . 1 . 2]" 1
846 1 63 ASN HB3 1 67 LYS H . . 4.760 4.747 4.595 4.834 0.074 15 0 "[ . 1 . 2]" 1
847 1 64 ILE H 1 64 ILE HB . . 3.340 2.382 2.297 2.428 . 0 0 "[ . 1 . 2]" 1
848 1 64 ILE H 1 64 ILE MD . . 4.680 3.068 2.203 3.716 . 0 0 "[ . 1 . 2]" 1
849 1 64 ILE H 1 64 ILE QG . . 3.540 2.727 2.135 3.582 0.042 20 0 "[ . 1 . 2]" 1
850 1 64 ILE H 1 64 ILE MG . . 4.120 3.774 3.707 3.830 . 0 0 "[ . 1 . 2]" 1
851 1 64 ILE H 1 65 THR H . . 3.540 2.723 2.619 2.808 . 0 0 "[ . 1 . 2]" 1
852 1 64 ILE H 1 65 THR HB . . 4.940 4.924 4.716 5.013 0.073 6 0 "[ . 1 . 2]" 1
853 1 64 ILE H 1 67 LYS H . . 4.860 4.847 4.620 4.928 0.068 9 0 "[ . 1 . 2]" 1
854 1 64 ILE HA 1 64 ILE MD . . 3.990 2.354 2.053 3.146 . 0 0 "[ . 1 . 2]" 1
855 1 64 ILE HA 1 65 THR HA . . 4.820 4.750 4.625 4.863 0.043 16 0 "[ . 1 . 2]" 1
856 1 64 ILE HA 1 67 LYS QB . . 4.520 3.773 2.478 4.263 . 0 0 "[ . 1 . 2]" 1
857 1 64 ILE HA 1 67 LYS QD . . 4.820 3.207 2.183 4.296 . 0 0 "[ . 1 . 2]" 1
858 1 64 ILE HB 1 65 THR H . . 3.630 2.839 2.564 3.333 . 0 0 "[ . 1 . 2]" 1
859 1 64 ILE MD 1 67 LYS QD . . 5.330 3.049 2.008 4.771 . 0 0 "[ . 1 . 2]" 1
860 1 64 ILE MD 1 67 LYS QE . . 5.420 4.182 3.160 5.289 . 0 0 "[ . 1 . 2]" 1
861 1 64 ILE MG 1 65 THR H . . 4.480 3.309 2.923 3.649 . 0 0 "[ . 1 . 2]" 1
862 1 64 ILE MG 1 65 THR HA . . 4.690 3.300 2.946 3.615 . 0 0 "[ . 1 . 2]" 1
863 1 64 ILE MG 1 68 GLN QB . . 4.810 3.381 2.794 3.769 . 0 0 "[ . 1 . 2]" 1
864 1 64 ILE MG 1 68 GLN QG . . 4.940 2.595 1.957 4.143 . 0 0 "[ . 1 . 2]" 1
865 1 65 THR H 1 65 THR HB . . 3.350 2.488 2.401 2.591 . 0 0 "[ . 1 . 2]" 1
866 1 65 THR H 1 65 THR HG1 . . 3.290 2.045 1.935 2.237 . 0 0 "[ . 1 . 2]" 1
867 1 65 THR H 1 66 ILE H . . 3.430 2.749 2.546 2.849 . 0 0 "[ . 1 . 2]" 1
868 1 65 THR H 1 66 ILE QG . . 4.640 4.499 4.386 4.563 . 0 0 "[ . 1 . 2]" 1
869 1 65 THR H 1 92 VAL QG . . 4.710 4.240 3.978 4.483 . 0 0 "[ . 1 . 2]" 1
870 1 65 THR HA 1 68 GLN QB . . 4.460 2.437 2.075 3.089 . 0 0 "[ . 1 . 2]" 1
871 1 65 THR HA 1 68 GLN QG . . 4.590 3.184 2.262 3.706 . 0 0 "[ . 1 . 2]" 1
872 1 65 THR HB 1 66 ILE H . . 3.620 2.879 2.557 3.185 . 0 0 "[ . 1 . 2]" 1
873 1 65 THR HB 1 92 VAL HB . . 4.710 4.649 4.500 4.792 0.082 11 0 "[ . 1 . 2]" 1
874 1 65 THR HB 1 92 VAL QG . . 3.950 2.322 2.111 2.628 . 0 0 "[ . 1 . 2]" 1
875 1 65 THR HG1 1 66 ILE H . . 4.250 4.212 4.042 4.314 0.064 1 0 "[ . 1 . 2]" 1
876 1 65 THR HG1 1 92 VAL QG . . 5.500 3.509 3.317 3.762 . 0 0 "[ . 1 . 2]" 1
877 1 65 THR MG 1 66 ILE H . . 5.040 3.721 3.506 4.004 . 0 0 "[ . 1 . 2]" 1
878 1 65 THR MG 1 66 ILE QG . . 5.020 3.992 3.412 4.852 . 0 0 "[ . 1 . 2]" 1
879 1 65 THR MG 1 92 VAL QG . . 4.250 2.105 1.923 2.587 . 0 0 "[ . 1 . 2]" 1
880 1 66 ILE H 1 66 ILE HB . . 3.090 2.417 2.286 2.596 . 0 0 "[ . 1 . 2]" 1
881 1 66 ILE H 1 66 ILE MD . . 4.640 3.660 3.056 3.978 . 0 0 "[ . 1 . 2]" 1
882 1 66 ILE H 1 66 ILE QG . . 3.620 2.421 2.291 2.613 . 0 0 "[ . 1 . 2]" 1
883 1 66 ILE H 1 66 ILE MG . . 4.330 3.775 3.702 3.860 . 0 0 "[ . 1 . 2]" 1
884 1 66 ILE H 1 67 LYS H . . 3.440 2.712 2.527 2.869 . 0 0 "[ . 1 . 2]" 1
885 1 66 ILE H 1 67 LYS QB . . 4.870 4.865 4.630 4.960 0.090 14 0 "[ . 1 . 2]" 1
886 1 66 ILE H 1 67 LYS QG . . 5.060 4.349 4.076 4.936 . 0 0 "[ . 1 . 2]" 1
887 1 66 ILE H 1 68 GLN QB . . 4.670 4.606 4.349 4.645 . 0 0 "[ . 1 . 2]" 1
888 1 66 ILE HA 1 67 LYS HA . . 4.880 4.683 4.571 4.782 . 0 0 "[ . 1 . 2]" 1
889 1 66 ILE HA 1 69 HIS H . . 4.390 3.598 3.371 3.844 . 0 0 "[ . 1 . 2]" 1
890 1 66 ILE HA 1 69 HIS QB . . 4.700 3.593 2.709 4.795 0.095 17 0 "[ . 1 . 2]" 1
891 1 66 ILE HA 1 70 THR H . . 4.700 3.728 3.300 4.263 . 0 0 "[ . 1 . 2]" 1
892 1 66 ILE HA 1 88 MET HB3 . . 4.670 4.628 4.287 4.753 0.083 17 0 "[ . 1 . 2]" 1
893 1 66 ILE HA 1 88 MET ME . . 5.090 2.729 2.289 3.007 . 0 0 "[ . 1 . 2]" 1
894 1 66 ILE HB 1 67 LYS H . . 3.680 2.426 2.194 2.645 . 0 0 "[ . 1 . 2]" 1
895 1 66 ILE HB 1 67 LYS HA . . 4.510 4.459 4.192 4.578 0.068 18 0 "[ . 1 . 2]" 1
896 1 66 ILE HB 1 88 MET ME . . 4.620 4.484 4.076 4.739 0.119 15 0 "[ . 1 . 2]" 1
897 1 66 ILE MD 1 66 ILE MG . . 3.260 2.116 2.051 2.193 . 0 0 "[ . 1 . 2]" 1
898 1 66 ILE MD 1 85 VAL QG . . 2.730 2.298 2.013 2.752 0.022 17 0 "[ . 1 . 2]" 1
899 1 66 ILE MD 1 88 MET HB2 . . 4.700 3.058 2.405 3.737 . 0 0 "[ . 1 . 2]" 1
900 1 66 ILE MD 1 88 MET HB3 . . 4.840 2.838 2.138 3.807 . 0 0 "[ . 1 . 2]" 1
901 1 66 ILE MD 1 88 MET ME . . 4.390 2.584 1.925 3.594 . 0 0 "[ . 1 . 2]" 1
902 1 66 ILE MD 1 88 MET HG2 . . 5.490 4.715 3.625 5.558 0.068 9 0 "[ . 1 . 2]" 1
903 1 66 ILE MD 1 89 GLU H . . 4.760 3.123 2.624 3.527 . 0 0 "[ . 1 . 2]" 1
904 1 66 ILE MD 1 89 GLU HA . . 3.580 2.462 2.053 3.021 . 0 0 "[ . 1 . 2]" 1
905 1 66 ILE MD 1 89 GLU HB3 . . 5.240 3.951 2.119 4.517 . 0 0 "[ . 1 . 2]" 1
906 1 66 ILE MD 1 89 GLU QG . . 4.150 2.320 1.930 3.799 . 0 0 "[ . 1 . 2]" 1
907 1 66 ILE MD 1 92 VAL HB . . 5.070 3.747 2.970 4.974 . 0 0 "[ . 1 . 2]" 1
908 1 66 ILE MD 1 92 VAL QG . . 4.800 3.222 2.384 4.071 . 0 0 "[ . 1 . 2]" 1
909 1 66 ILE QG 1 89 GLU HA . . 4.950 3.838 3.284 4.306 . 0 0 "[ . 1 . 2]" 1
910 1 66 ILE QG 1 92 VAL QG . . 5.330 3.193 2.431 3.860 . 0 0 "[ . 1 . 2]" 1
911 1 66 ILE MG 1 67 LYS H . . 4.450 3.054 2.795 3.254 . 0 0 "[ . 1 . 2]" 1
912 1 66 ILE MG 1 67 LYS HA . . 5.140 3.220 2.946 3.480 . 0 0 "[ . 1 . 2]" 1
913 1 66 ILE MG 1 69 HIS QB . . 5.350 4.692 3.810 5.481 0.131 11 0 "[ . 1 . 2]" 1
914 1 66 ILE MG 1 85 VAL QG . . 3.530 2.043 1.896 2.277 . 0 0 "[ . 1 . 2]" 1
915 1 66 ILE MG 1 88 MET ME . . 3.810 2.402 1.971 2.770 . 0 0 "[ . 1 . 2]" 1
916 1 67 LYS H 1 67 LYS QB . . 3.210 2.425 2.193 2.544 . 0 0 "[ . 1 . 2]" 1
917 1 67 LYS H 1 67 LYS QG . . 4.750 2.500 2.181 2.999 . 0 0 "[ . 1 . 2]" 1
918 1 67 LYS H 1 68 GLN H . . 3.900 2.889 2.725 3.125 . 0 0 "[ . 1 . 2]" 1
919 1 67 LYS HA 1 67 LYS QD . . 4.920 4.213 3.659 4.546 . 0 0 "[ . 1 . 2]" 1
920 1 67 LYS HA 1 67 LYS QE . . 4.930 4.009 3.254 4.962 0.032 15 0 "[ . 1 . 2]" 1
921 1 67 LYS HA 1 70 THR H . . 4.570 3.590 2.935 4.448 . 0 0 "[ . 1 . 2]" 1
922 1 67 LYS HA 1 70 THR HB . . 4.340 3.187 2.116 4.391 0.051 1 0 "[ . 1 . 2]" 1
923 1 67 LYS HA 1 71 VAL MG1 . . 5.240 4.857 3.968 5.350 0.110 4 0 "[ . 1 . 2]" 1
924 1 67 LYS QB 1 68 GLN H . . 4.600 3.693 2.464 4.069 . 0 0 "[ . 1 . 2]" 1
925 1 67 LYS QE 1 71 VAL HB . . 4.550 4.279 2.636 4.643 0.093 1 0 "[ . 1 . 2]" 1
926 1 68 GLN H 1 68 GLN QB . . 3.400 2.195 1.885 2.364 . 0 0 "[ . 1 . 2]" 1
927 1 68 GLN H 1 68 GLN QG . . 3.660 2.907 2.296 3.568 . 0 0 "[ . 1 . 2]" 1
928 1 68 GLN H 1 69 HIS H . . 3.880 2.613 2.042 2.930 . 0 0 "[ . 1 . 2]" 1
929 1 68 GLN H 1 70 THR H . . 4.240 3.993 3.069 4.300 0.060 12 0 "[ . 1 . 2]" 1
930 1 68 GLN H 1 71 VAL H . . 4.900 4.582 3.667 4.923 0.023 16 0 "[ . 1 . 2]" 1
931 1 68 GLN HA 1 68 GLN QE . . 4.700 3.423 1.799 3.974 . 0 0 "[ . 1 . 2]" 1
932 1 68 GLN HA 1 70 THR H . . 4.870 4.797 4.424 4.946 0.076 9 0 "[ . 1 . 2]" 1
933 1 68 GLN HA 1 71 VAL H . . 3.930 3.883 3.573 4.030 0.100 10 0 "[ . 1 . 2]" 1
934 1 68 GLN HA 1 71 VAL HB . . 4.860 3.714 2.886 4.512 . 0 0 "[ . 1 . 2]" 1
935 1 68 GLN HA 1 71 VAL MG1 . . 4.640 3.527 2.204 4.751 0.111 11 0 "[ . 1 . 2]" 1
936 1 68 GLN HA 1 72 THR H . . 4.720 4.006 3.691 4.619 . 0 0 "[ . 1 . 2]" 1
937 1 68 GLN HA 1 72 THR HB . . 4.160 4.115 3.678 4.248 0.088 6 0 "[ . 1 . 2]" 1
938 1 68 GLN QB 1 69 HIS H . . 4.170 2.828 2.364 3.551 . 0 0 "[ . 1 . 2]" 1
939 1 68 GLN QE 1 72 THR HB . . 4.930 4.343 2.997 4.860 . 0 0 "[ . 1 . 2]" 1
940 1 68 GLN QG 1 69 HIS H . . 4.920 3.979 2.289 4.653 . 0 0 "[ . 1 . 2]" 1
941 1 69 HIS H 1 69 HIS QB . . 3.230 2.393 2.178 3.043 . 0 0 "[ . 1 . 2]" 1
942 1 69 HIS H 1 70 THR H . . 3.420 2.324 1.871 2.607 . 0 0 "[ . 1 . 2]" 1
943 1 69 HIS H 1 71 VAL H . . 3.720 3.703 2.967 3.809 0.089 8 0 "[ . 1 . 2]" 1
944 1 69 HIS H 1 88 MET ME . . 4.900 4.663 4.193 5.013 0.113 11 0 "[ . 1 . 2]" 1
945 1 69 HIS HA 1 71 VAL H . . 4.950 3.992 3.436 4.670 . 0 0 "[ . 1 . 2]" 1
946 1 69 HIS HA 1 72 THR H . . 3.820 3.367 2.797 3.897 0.077 12 0 "[ . 1 . 2]" 1
947 1 69 HIS QB 1 69 HIS HD2 . . 3.640 2.567 2.350 2.645 . 0 0 "[ . 1 . 2]" 1
948 1 69 HIS QB 1 70 THR H . . 4.090 2.825 2.407 3.758 . 0 0 "[ . 1 . 2]" 1
949 1 69 HIS QB 1 88 MET ME . . 5.340 3.241 2.234 4.873 . 0 0 "[ . 1 . 2]" 1
950 1 69 HIS HD2 1 80 PHE QE . . 3.330 3.232 2.807 3.431 0.101 3 0 "[ . 1 . 2]" 1
951 1 69 HIS HD2 1 88 MET ME . . 3.820 3.269 2.054 3.912 0.092 20 0 "[ . 1 . 2]" 1
952 1 70 THR H 1 70 THR HB . . 3.680 2.801 2.358 3.658 . 0 0 "[ . 1 . 2]" 1
953 1 70 THR H 1 70 THR MG . . 4.390 3.365 2.224 3.794 . 0 0 "[ . 1 . 2]" 1
954 1 70 THR H 1 71 VAL H . . 3.750 2.676 2.326 2.949 . 0 0 "[ . 1 . 2]" 1
955 1 70 THR H 1 72 THR H . . 4.120 4.182 3.962 4.209 0.089 2 0 "[ . 1 . 2]" 1
956 1 70 THR HA 1 71 VAL HB . . 5.500 5.516 5.226 5.602 0.102 1 0 "[ . 1 . 2]" 1
957 1 70 THR HA 1 73 THR H . . 3.870 3.885 3.550 3.953 0.083 17 0 "[ . 1 . 2]" 1
958 1 70 THR HA 1 80 PHE H . . 5.390 5.360 4.572 5.477 0.087 10 0 "[ . 1 . 2]" 1
959 1 70 THR HA 1 80 PHE QE . . 4.290 2.883 2.269 4.358 0.068 14 0 "[ . 1 . 2]" 1
960 1 70 THR HB 1 71 VAL H . . 3.830 3.416 2.616 3.811 . 0 0 "[ . 1 . 2]" 1
961 1 70 THR HB 1 85 VAL QG . . 5.020 4.344 3.908 4.786 . 0 0 "[ . 1 . 2]" 1
962 1 70 THR MG 1 71 VAL H . . 4.430 4.128 3.840 4.476 0.046 3 0 "[ . 1 . 2]" 1
963 1 70 THR MG 1 71 VAL HA . . 5.040 4.497 3.806 5.159 0.119 13 0 "[ . 1 . 2]" 1
964 1 70 THR MG 1 80 PHE QE . . 3.970 3.782 3.316 4.065 0.095 3 0 "[ . 1 . 2]" 1
965 1 70 THR MG 1 85 VAL H . . 5.230 5.311 5.240 5.336 0.106 13 0 "[ . 1 . 2]" 1
966 1 70 THR MG 1 85 VAL QG . . 3.810 2.557 2.343 2.783 . 0 0 "[ . 1 . 2]" 1
967 1 70 THR MG 1 88 MET ME . . 3.660 3.347 2.585 3.764 0.104 9 0 "[ . 1 . 2]" 1
968 1 71 VAL H 1 71 VAL HB . . 3.230 2.291 2.094 2.729 . 0 0 "[ . 1 . 2]" 1
969 1 71 VAL H 1 71 VAL MG1 . . 3.540 3.262 2.425 3.651 0.111 3 0 "[ . 1 . 2]" 1
970 1 71 VAL H 1 71 VAL MG2 . . 4.340 3.172 2.275 3.956 . 0 0 "[ . 1 . 2]" 1
971 1 71 VAL HA 1 71 VAL MG1 . . 3.410 2.909 2.606 3.290 . 0 0 "[ . 1 . 2]" 1
972 1 71 VAL HA 1 71 VAL MG2 . . 3.590 2.282 2.122 2.544 . 0 0 "[ . 1 . 2]" 1
973 1 71 VAL HA 1 72 THR H . . 3.400 3.460 3.353 3.491 0.091 17 0 "[ . 1 . 2]" 1
974 1 71 VAL HA 1 73 THR HB . . 4.490 4.571 4.553 4.584 0.094 2 0 "[ . 1 . 2]" 1
975 1 71 VAL HA 1 74 THR H . . 4.730 3.148 2.735 3.773 . 0 0 "[ . 1 . 2]" 1
976 1 71 VAL HB 1 72 THR H . . 3.570 3.261 2.736 3.664 0.094 15 0 "[ . 1 . 2]" 1
977 1 71 VAL MG1 1 72 THR H . . 4.180 2.976 2.034 3.848 . 0 0 "[ . 1 . 2]" 1
978 1 71 VAL MG1 1 72 THR HA . . 5.010 3.426 2.893 3.979 . 0 0 "[ . 1 . 2]" 1
979 1 71 VAL MG2 1 72 THR H . . 4.300 4.131 3.793 4.374 0.074 10 0 "[ . 1 . 2]" 1
980 1 72 THR H 1 72 THR HB . . 3.110 2.347 2.117 2.512 . 0 0 "[ . 1 . 2]" 1
981 1 72 THR H 1 72 THR MG . . 3.940 2.809 2.102 3.753 . 0 0 "[ . 1 . 2]" 1
982 1 72 THR H 1 74 THR H . . 4.610 4.147 3.704 4.594 . 0 0 "[ . 1 . 2]" 1
983 1 72 THR HA 1 73 THR H . . 3.250 3.327 3.281 3.342 0.092 16 0 "[ . 1 . 2]" 1
984 1 72 THR HA 1 74 THR H . . 4.930 4.060 3.334 4.830 . 0 0 "[ . 1 . 2]" 1
985 1 72 THR HB 1 73 THR H . . 5.020 3.996 3.395 4.267 . 0 0 "[ . 1 . 2]" 1
986 1 72 THR MG 1 73 THR H . . 4.420 3.069 2.509 4.064 . 0 0 "[ . 1 . 2]" 1
987 1 73 THR H 1 73 THR MG . . 3.820 3.685 3.545 3.859 0.039 18 0 "[ . 1 . 2]" 1
988 1 73 THR H 1 74 THR H . . 3.280 2.426 2.157 2.650 . 0 0 "[ . 1 . 2]" 1
989 1 73 THR H 1 74 THR HA . . 4.930 4.977 4.805 5.014 0.084 9 0 "[ . 1 . 2]" 1
990 1 73 THR HB 1 74 THR H . . 4.360 2.806 2.082 3.224 . 0 0 "[ . 1 . 2]" 1
991 1 73 THR HB 1 78 GLU QB . . 4.320 4.054 3.799 4.377 0.057 14 0 "[ . 1 . 2]" 1
992 1 73 THR MG 1 74 THR H . . 4.610 3.462 2.706 3.968 . 0 0 "[ . 1 . 2]" 1
993 1 73 THR MG 1 74 THR HA . . 5.040 3.497 3.065 4.191 . 0 0 "[ . 1 . 2]" 1
994 1 73 THR MG 1 74 THR HB . . 4.980 4.854 3.837 5.094 0.114 8 0 "[ . 1 . 2]" 1
995 1 73 THR MG 1 78 GLU HA . . 4.390 4.380 4.003 4.527 0.137 18 0 "[ . 1 . 2]" 1
996 1 73 THR MG 1 78 GLU QB . . 4.200 2.103 1.955 2.287 . 0 0 "[ . 1 . 2]" 1
997 1 73 THR MG 1 78 GLU HG3 . . 4.860 3.092 2.257 4.645 . 0 0 "[ . 1 . 2]" 1
998 1 73 THR MG 1 79 ASN H . . 4.730 3.848 3.077 4.783 0.053 2 0 "[ . 1 . 2]" 1
999 1 73 THR MG 1 79 ASN HA . . 4.870 4.353 3.687 4.940 0.070 13 0 "[ . 1 . 2]" 1
1000 1 73 THR MG 1 80 PHE QD . . 4.350 3.210 2.348 3.683 . 0 0 "[ . 1 . 2]" 1
1001 1 73 THR MG 1 80 PHE QE . . 4.180 2.361 2.092 2.922 . 0 0 "[ . 1 . 2]" 1
1002 1 74 THR H 1 74 THR HB . . 3.910 3.556 3.453 3.720 . 0 0 "[ . 1 . 2]" 1
1003 1 74 THR H 1 74 THR MG . . 4.210 2.345 2.061 3.098 . 0 0 "[ . 1 . 2]" 1
1004 1 74 THR H 1 75 THR H . . 4.140 4.210 4.037 4.240 0.100 7 0 "[ . 1 . 2]" 1
1005 1 74 THR HA 1 75 THR H . . 3.010 2.597 1.873 3.088 0.078 2 0 "[ . 1 . 2]" 1
1006 1 74 THR HA 1 77 GLY H . . 4.390 4.205 3.517 4.474 0.084 17 0 "[ . 1 . 2]" 1
1007 1 74 THR HA 1 78 GLU H . . 4.050 3.194 2.030 4.140 0.090 18 0 "[ . 1 . 2]" 1
1008 1 74 THR HB 1 75 THR H . . 3.180 2.241 1.796 3.242 0.062 7 0 "[ . 1 . 2]" 1
1009 1 74 THR HB 1 78 GLU H . . 4.050 3.789 1.965 4.136 0.086 17 0 "[ . 1 . 2]" 1
1010 1 74 THR MG 1 75 THR H . . 3.760 3.693 3.316 3.834 0.074 13 0 "[ . 1 . 2]" 1
1011 1 74 THR MG 1 79 ASN HA . . 4.530 2.509 2.007 4.638 0.108 18 0 "[ . 1 . 2]" 1
1012 1 74 THR MG 1 80 PHE QD . . 5.470 3.670 2.822 5.454 . 0 0 "[ . 1 . 2]" 1
1013 1 74 THR MG 1 80 PHE QE . . 4.550 4.472 3.792 4.688 0.138 18 0 "[ . 1 . 2]" 1
1014 1 75 THR H 1 75 THR HB . . 3.990 3.426 2.696 3.919 . 0 0 "[ . 1 . 2]" 1
1015 1 75 THR H 1 75 THR MG . . 3.930 3.786 2.651 4.050 0.120 19 0 "[ . 1 . 2]" 1
1016 1 75 THR H 1 78 GLU H . . 4.550 3.975 3.207 4.621 0.071 2 0 "[ . 1 . 2]" 1
1017 1 75 THR H 1 78 GLU QB . . 4.700 4.188 2.512 4.812 0.112 18 0 "[ . 1 . 2]" 1
1018 1 75 THR HA 1 75 THR MG . . 3.630 2.754 2.248 3.334 . 0 0 "[ . 1 . 2]" 1
1019 1 75 THR HA 1 76 LYS H . . 3.280 3.020 2.070 3.374 0.094 13 0 "[ . 1 . 2]" 1
1020 1 75 THR HA 1 76 LYS QB . . 4.810 4.654 4.383 4.721 . 0 0 "[ . 1 . 2]" 1
1021 1 75 THR HA 1 76 LYS QG . . 5.030 4.560 3.365 4.935 . 0 0 "[ . 1 . 2]" 1
1022 1 75 THR HB 1 76 LYS QD . . 4.520 4.283 3.305 4.609 0.089 12 0 "[ . 1 . 2]" 1
1023 1 75 THR MG 1 76 LYS QB . . 4.640 3.544 2.289 4.516 . 0 0 "[ . 1 . 2]" 1
1024 1 75 THR MG 1 76 LYS QD . . 3.910 3.119 2.004 4.034 0.124 1 0 "[ . 1 . 2]" 1
1025 1 76 LYS H 1 76 LYS QG . . 4.870 3.041 2.321 4.001 . 0 0 "[ . 1 . 2]" 1
1026 1 76 LYS H 1 77 GLY H . . 3.570 2.325 1.704 3.334 . 0 0 "[ . 1 . 2]" 1
1027 1 76 LYS H 1 78 GLU H . . 3.690 3.541 2.921 3.788 0.098 17 0 "[ . 1 . 2]" 1
1028 1 76 LYS HA 1 76 LYS QD . . 4.390 4.082 3.764 4.481 0.091 20 0 "[ . 1 . 2]" 1
1029 1 76 LYS QB 1 76 LYS QD . . 2.840 2.185 2.049 2.361 . 0 0 "[ . 1 . 2]" 1
1030 1 76 LYS QB 1 77 GLY H . . 4.750 3.305 2.084 4.153 . 0 0 "[ . 1 . 2]" 1
1031 1 76 LYS QG 1 77 GLY H . . 4.810 3.450 1.822 4.403 . 0 0 "[ . 1 . 2]" 1
1032 1 78 GLU H 1 78 GLU QB . . 3.150 2.467 1.933 2.805 . 0 0 "[ . 1 . 2]" 1
1033 1 78 GLU H 1 78 GLU HG2 . . 4.760 3.958 3.322 4.766 0.006 2 0 "[ . 1 . 2]" 1
1034 1 78 GLU H 1 78 GLU HG3 . . 3.960 4.129 2.895 4.826 0.866 11 9 "[ * .* **1+** *- 2]" 1
1035 1 78 GLU H 1 79 ASN HD21 . . 4.740 4.621 3.653 4.828 0.088 15 0 "[ . 1 . 2]" 1
1036 1 78 GLU HA 1 78 GLU HG2 . . 4.240 2.608 2.233 3.791 . 0 0 "[ . 1 . 2]" 1
1037 1 78 GLU HA 1 78 GLU HG3 . . 4.030 3.385 2.326 3.805 . 0 0 "[ . 1 . 2]" 1
1038 1 78 GLU HA 1 79 ASN H . . 2.840 2.415 2.251 2.664 . 0 0 "[ . 1 . 2]" 1
1039 1 78 GLU HA 1 79 ASN HD21 . . 4.680 3.928 2.631 4.764 0.084 3 0 "[ . 1 . 2]" 1
1040 1 78 GLU QB 1 79 ASN H . . 3.360 2.692 1.997 3.440 0.080 2 0 "[ . 1 . 2]" 1
1041 1 79 ASN H 1 79 ASN HB3 . . 3.460 3.639 3.413 3.909 0.449 2 0 "[ . 1 . 2]" 1
1042 1 79 ASN H 1 80 PHE H . . 4.220 4.193 3.527 4.297 0.077 2 0 "[ . 1 . 2]" 1
1043 1 79 ASN HA 1 79 ASN HD21 . . 4.140 3.646 2.482 4.207 0.067 2 0 "[ . 1 . 2]" 1
1044 1 79 ASN HA 1 80 PHE H . . 2.910 2.473 2.165 2.908 . 0 0 "[ . 1 . 2]" 1
1045 1 79 ASN HB2 1 80 PHE H . . 4.520 3.319 2.151 4.610 0.090 10 0 "[ . 1 . 2]" 1
1046 1 79 ASN HB3 1 80 PHE H . . 4.320 3.201 2.040 4.400 0.080 14 0 "[ . 1 . 2]" 1
1047 1 80 PHE H 1 80 PHE HB2 . . 3.330 2.436 2.071 2.794 . 0 0 "[ . 1 . 2]" 1
1048 1 80 PHE H 1 80 PHE HB3 . . 4.000 3.562 3.323 3.804 . 0 0 "[ . 1 . 2]" 1
1049 1 80 PHE H 1 81 THR H . . 4.440 4.427 4.316 4.521 0.081 10 0 "[ . 1 . 2]" 1
1050 1 80 PHE HA 1 81 THR H . . 3.170 2.456 2.136 2.760 . 0 0 "[ . 1 . 2]" 1
1051 1 80 PHE HA 1 81 THR MG . . 4.960 3.389 3.056 3.675 . 0 0 "[ . 1 . 2]" 1
1052 1 80 PHE HA 1 84 ASP QB . . 4.530 3.758 2.696 4.211 . 0 0 "[ . 1 . 2]" 1
1053 1 80 PHE HB2 1 85 VAL QG . . 4.660 2.935 2.399 3.508 . 0 0 "[ . 1 . 2]" 1
1054 1 80 PHE HB2 1 88 MET ME . . 5.150 4.786 4.020 5.245 0.095 12 0 "[ . 1 . 2]" 1
1055 1 80 PHE HB3 1 84 ASP QB . . 3.780 2.947 2.148 3.785 0.005 11 0 "[ . 1 . 2]" 1
1056 1 80 PHE HB3 1 85 VAL QG . . 5.360 2.203 2.062 2.517 . 0 0 "[ . 1 . 2]" 1
1057 1 80 PHE HB3 1 88 MET ME . . 4.890 4.503 3.763 4.929 0.039 3 0 "[ . 1 . 2]" 1
1058 1 80 PHE QD 1 85 VAL QG . . 4.150 2.685 2.132 3.358 . 0 0 "[ . 1 . 2]" 1
1059 1 80 PHE QE 1 84 ASP QB . . 3.930 3.102 2.325 3.763 . 0 0 "[ . 1 . 2]" 1
1060 1 80 PHE QE 1 85 VAL QG . . 4.290 4.155 3.216 4.336 0.046 17 0 "[ . 1 . 2]" 1
1061 1 80 PHE QE 1 88 MET ME . . 4.120 2.857 2.213 3.536 . 0 0 "[ . 1 . 2]" 1
1062 1 81 THR H 1 81 THR HB . . 4.190 3.705 3.501 3.912 . 0 0 "[ . 1 . 2]" 1
1063 1 81 THR H 1 81 THR MG . . 3.660 2.512 1.782 3.214 . 0 0 "[ . 1 . 2]" 1
1064 1 81 THR H 1 82 GLU H . . 4.810 4.512 4.298 4.704 . 0 0 "[ . 1 . 2]" 1
1065 1 81 THR H 1 84 ASP H . . 4.520 3.483 3.036 3.902 . 0 0 "[ . 1 . 2]" 1
1066 1 81 THR H 1 84 ASP QB . . 3.710 2.499 1.933 2.908 . 0 0 "[ . 1 . 2]" 1
1067 1 81 THR H 1 85 VAL QG . . 4.980 3.425 2.780 4.203 . 0 0 "[ . 1 . 2]" 1
1068 1 81 THR HA 1 81 THR HB . . 2.470 2.400 2.241 2.529 0.059 8 0 "[ . 1 . 2]" 1
1069 1 81 THR HA 1 81 THR MG . . 3.650 2.457 2.194 2.769 . 0 0 "[ . 1 . 2]" 1
1070 1 81 THR HA 1 82 GLU H . . 3.330 2.455 2.301 2.791 . 0 0 "[ . 1 . 2]" 1
1071 1 81 THR HB 1 82 GLU H . . 3.120 2.750 2.327 3.033 . 0 0 "[ . 1 . 2]" 1
1072 1 81 THR MG 1 82 GLU H . . 4.840 4.004 3.663 4.303 . 0 0 "[ . 1 . 2]" 1
1073 1 81 THR MG 1 83 THR H . . 5.110 4.332 3.995 4.992 . 0 0 "[ . 1 . 2]" 1
1074 1 81 THR MG 1 85 VAL QG . . 4.870 4.886 4.598 4.919 0.049 9 0 "[ . 1 . 2]" 1
1075 1 82 GLU H 1 82 GLU HB2 . . 3.290 2.499 1.927 3.659 0.369 14 0 "[ . 1 . 2]" 1
1076 1 82 GLU H 1 82 GLU HB3 . . 4.120 3.039 2.455 3.666 . 0 0 "[ . 1 . 2]" 1
1077 1 82 GLU H 1 82 GLU HG2 . . 4.280 3.772 2.104 4.629 0.349 9 0 "[ . 1 . 2]" 1
1078 1 82 GLU H 1 83 THR H . . 3.640 2.782 2.194 3.182 . 0 0 "[ . 1 . 2]" 1
1079 1 82 GLU HA 1 85 VAL H . . 3.990 3.598 3.176 3.945 . 0 0 "[ . 1 . 2]" 1
1080 1 82 GLU HA 1 85 VAL HB . . 3.920 2.567 2.152 4.035 0.115 15 0 "[ . 1 . 2]" 1
1081 1 82 GLU HA 1 85 VAL QG . . 4.170 2.950 1.739 3.577 . 0 0 "[ . 1 . 2]" 1
1082 1 82 GLU HB3 1 83 THR H . . 3.870 3.417 2.363 4.189 0.319 18 0 "[ . 1 . 2]" 1
1083 1 82 GLU HG2 1 83 THR H . . 4.970 4.679 2.915 5.557 0.587 4 1 "[ +. 1 . 2]" 1
1084 1 83 THR H 1 83 THR HB . . 3.180 2.577 2.298 2.943 . 0 0 "[ . 1 . 2]" 1
1085 1 83 THR H 1 84 ASP H . . 3.490 2.715 2.399 2.961 . 0 0 "[ . 1 . 2]" 1
1086 1 83 THR H 1 85 VAL H . . 4.360 4.217 3.888 4.424 0.064 3 0 "[ . 1 . 2]" 1
1087 1 83 THR H 1 85 VAL QG . . 4.980 4.736 3.650 4.917 . 0 0 "[ . 1 . 2]" 1
1088 1 83 THR HA 1 86 LYS H . . 4.170 3.383 2.995 3.813 . 0 0 "[ . 1 . 2]" 1
1089 1 83 THR HA 1 86 LYS QB . . 4.700 2.557 2.123 3.394 . 0 0 "[ . 1 . 2]" 1
1090 1 83 THR HA 1 87 MET H . . 4.810 4.220 3.935 4.523 . 0 0 "[ . 1 . 2]" 1
1091 1 83 THR HB 1 84 ASP H . . 3.600 2.637 2.322 3.235 . 0 0 "[ . 1 . 2]" 1
1092 1 83 THR HB 1 87 MET ME . . 5.360 4.891 4.413 5.444 0.084 8 0 "[ . 1 . 2]" 1
1093 1 83 THR MG 1 84 ASP H . . 5.050 3.617 3.210 4.003 . 0 0 "[ . 1 . 2]" 1
1094 1 83 THR MG 1 87 MET H . . 4.700 4.343 3.930 4.772 0.072 14 0 "[ . 1 . 2]" 1
1095 1 83 THR MG 1 87 MET ME . . 3.740 2.451 2.000 2.809 . 0 0 "[ . 1 . 2]" 1
1096 1 83 THR MG 1 87 MET QG . . 4.880 3.608 2.726 4.403 . 0 0 "[ . 1 . 2]" 1
1097 1 84 ASP H 1 84 ASP QB . . 3.700 2.415 2.078 2.620 . 0 0 "[ . 1 . 2]" 1
1098 1 84 ASP H 1 85 VAL H . . 3.510 2.663 2.507 2.806 . 0 0 "[ . 1 . 2]" 1
1099 1 84 ASP H 1 86 LYS H . . 4.760 4.103 3.760 4.396 . 0 0 "[ . 1 . 2]" 1
1100 1 84 ASP HA 1 87 MET H . . 4.290 3.738 3.230 4.341 0.051 13 0 "[ . 1 . 2]" 1
1101 1 84 ASP HA 1 87 MET HB2 . . 4.740 3.184 2.514 3.929 . 0 0 "[ . 1 . 2]" 1
1102 1 84 ASP QB 1 85 VAL H . . 4.510 2.481 2.052 2.770 . 0 0 "[ . 1 . 2]" 1
1103 1 85 VAL H 1 85 VAL HB . . 3.350 2.466 2.304 3.403 0.053 15 0 "[ . 1 . 2]" 1
1104 1 85 VAL H 1 85 VAL QG . . 3.470 2.003 1.818 2.280 . 0 0 "[ . 1 . 2]" 1
1105 1 85 VAL H 1 86 LYS H . . 3.230 2.886 2.677 3.147 . 0 0 "[ . 1 . 2]" 1
1106 1 85 VAL H 1 88 MET ME . . 4.580 4.418 3.974 4.678 0.098 3 0 "[ . 1 . 2]" 1
1107 1 85 VAL HA 1 88 MET H . . 4.940 3.457 3.024 3.801 . 0 0 "[ . 1 . 2]" 1
1108 1 85 VAL HA 1 88 MET HB2 . . 4.580 2.471 2.086 2.854 . 0 0 "[ . 1 . 2]" 1
1109 1 85 VAL HA 1 88 MET ME . . 3.450 2.439 2.108 2.937 . 0 0 "[ . 1 . 2]" 1
1110 1 85 VAL HA 1 88 MET HG3 . . 4.640 3.937 3.063 4.710 0.070 3 0 "[ . 1 . 2]" 1
1111 1 85 VAL HA 1 89 GLU H . . 4.820 3.984 3.792 4.223 . 0 0 "[ . 1 . 2]" 1
1112 1 85 VAL HB 1 86 LYS H . . 3.440 2.833 2.461 3.539 0.099 15 0 "[ . 1 . 2]" 1
1113 1 85 VAL QG 1 86 LYS H . . 4.700 3.257 2.092 3.475 . 0 0 "[ . 1 . 2]" 1
1114 1 85 VAL QG 1 86 LYS HG2 . . 4.340 4.074 3.402 5.127 0.787 2 1 "[ + . 1 . 2]" 1
1115 1 85 VAL QG 1 88 MET H . . 5.210 4.464 4.166 4.728 . 0 0 "[ . 1 . 2]" 1
1116 1 85 VAL QG 1 88 MET HB2 . . 4.890 3.571 3.081 4.096 . 0 0 "[ . 1 . 2]" 1
1117 1 85 VAL QG 1 89 GLU H . . 4.860 3.929 3.707 4.334 . 0 0 "[ . 1 . 2]" 1
1118 1 85 VAL QG 1 89 GLU QG . . 4.750 2.979 2.432 4.461 . 0 0 "[ . 1 . 2]" 1
1119 1 86 LYS H 1 86 LYS QB . . 3.270 2.241 2.042 2.442 . 0 0 "[ . 1 . 2]" 1
1120 1 86 LYS H 1 86 LYS HG2 . . 4.960 3.182 2.500 4.245 . 0 0 "[ . 1 . 2]" 1
1121 1 86 LYS H 1 86 LYS HG3 . . 4.190 3.485 2.551 4.254 0.064 9 0 "[ . 1 . 2]" 1
1122 1 86 LYS H 1 87 MET H . . 3.640 2.820 2.541 3.061 . 0 0 "[ . 1 . 2]" 1
1123 1 86 LYS H 1 87 MET HB2 . . 4.790 4.814 4.613 4.868 0.078 11 0 "[ . 1 . 2]" 1
1124 1 86 LYS H 1 89 GLU H . . 4.840 4.622 4.433 4.906 0.066 19 0 "[ . 1 . 2]" 1
1125 1 86 LYS HA 1 86 LYS QD . . 4.400 2.957 2.138 4.002 . 0 0 "[ . 1 . 2]" 1
1126 1 86 LYS HA 1 89 GLU H . . 4.170 3.284 2.795 3.856 . 0 0 "[ . 1 . 2]" 1
1127 1 86 LYS HA 1 89 GLU HB2 . . 4.510 2.808 2.039 5.051 0.541 19 1 "[ . 1 . +2]" 1
1128 1 86 LYS QB 1 87 MET H . . 4.340 2.719 2.427 3.079 . 0 0 "[ . 1 . 2]" 1
1129 1 86 LYS QB 1 87 MET QG . . 4.870 4.217 3.437 4.622 . 0 0 "[ . 1 . 2]" 1
1130 1 87 MET H 1 87 MET QG . . 3.570 2.991 2.333 3.342 . 0 0 "[ . 1 . 2]" 1
1131 1 87 MET H 1 88 MET H . . 3.600 2.694 2.328 2.883 . 0 0 "[ . 1 . 2]" 1
1132 1 87 MET H 1 89 GLU H . . 4.060 4.120 4.025 4.144 0.084 18 0 "[ . 1 . 2]" 1
1133 1 87 MET HA 1 87 MET QG . . 3.980 2.616 2.186 3.223 . 0 0 "[ . 1 . 2]" 1
1134 1 87 MET HA 1 90 ARG H . . 4.580 3.721 3.229 4.057 . 0 0 "[ . 1 . 2]" 1
1135 1 87 MET HB2 1 88 MET H . . 3.970 2.562 2.317 2.857 . 0 0 "[ . 1 . 2]" 1
1136 1 87 MET HB3 1 87 MET ME . . 4.590 4.153 3.974 4.271 . 0 0 "[ . 1 . 2]" 1
1137 1 88 MET H 1 88 MET HB2 . . 3.700 2.337 2.156 2.548 . 0 0 "[ . 1 . 2]" 1
1138 1 88 MET H 1 88 MET ME . . 4.780 4.128 3.753 4.533 . 0 0 "[ . 1 . 2]" 1
1139 1 88 MET H 1 88 MET HG2 . . 4.860 3.764 3.241 4.347 . 0 0 "[ . 1 . 2]" 1
1140 1 88 MET H 1 89 GLU H . . 3.850 2.847 2.721 3.029 . 0 0 "[ . 1 . 2]" 1
1141 1 88 MET HA 1 91 VAL H . . 4.200 3.577 3.164 3.795 . 0 0 "[ . 1 . 2]" 1
1142 1 88 MET HA 1 91 VAL HB . . 4.310 3.958 2.851 4.415 0.105 18 0 "[ . 1 . 2]" 1
1143 1 88 MET HA 1 91 VAL QG . . 3.860 2.346 1.902 3.294 . 0 0 "[ . 1 . 2]" 1
1144 1 88 MET HA 1 92 VAL QG . . 5.120 3.058 2.543 3.342 . 0 0 "[ . 1 . 2]" 1
1145 1 88 MET HB2 1 88 MET ME . . 3.620 2.363 2.201 2.790 . 0 0 "[ . 1 . 2]" 1
1146 1 88 MET HB2 1 89 GLU H . . 4.410 2.844 2.462 3.526 . 0 0 "[ . 1 . 2]" 1
1147 1 88 MET HB2 1 92 VAL QG . . 4.820 4.182 3.802 4.542 . 0 0 "[ . 1 . 2]" 1
1148 1 88 MET HB3 1 89 GLU H . . 4.610 3.407 2.565 3.679 . 0 0 "[ . 1 . 2]" 1
1149 1 88 MET HB3 1 92 VAL HB . . 4.580 4.296 3.903 4.658 0.078 5 0 "[ . 1 . 2]" 1
1150 1 88 MET ME 1 88 MET HG2 . . 3.750 3.111 2.550 3.449 . 0 0 "[ . 1 . 2]" 1
1151 1 88 MET ME 1 88 MET HG3 . . 3.850 3.036 2.502 3.495 . 0 0 "[ . 1 . 2]" 1
1152 1 88 MET ME 1 92 VAL QG . . 3.960 3.857 3.507 3.969 0.009 8 0 "[ . 1 . 2]" 1
1153 1 89 GLU H 1 89 GLU HB2 . . 3.210 2.468 2.014 3.650 0.440 19 0 "[ . 1 . 2]" 1
1154 1 89 GLU H 1 89 GLU HB3 . . 3.820 3.394 2.181 3.684 . 0 0 "[ . 1 . 2]" 1
1155 1 89 GLU H 1 89 GLU QG . . 3.760 2.833 2.160 3.599 . 0 0 "[ . 1 . 2]" 1
1156 1 89 GLU H 1 90 ARG H . . 3.480 2.920 2.627 3.130 . 0 0 "[ . 1 . 2]" 1
1157 1 89 GLU H 1 91 VAL QG . . 5.000 4.542 4.247 4.967 . 0 0 "[ . 1 . 2]" 1
1158 1 89 GLU HA 1 89 GLU QG . . 3.540 2.372 2.142 3.374 . 0 0 "[ . 1 . 2]" 1
1159 1 89 GLU HA 1 93 GLU H . . 4.740 3.897 3.529 4.091 . 0 0 "[ . 1 . 2]" 1
1160 1 89 GLU HB2 1 90 ARG H . . 3.790 3.159 2.370 4.272 0.482 4 0 "[ . 1 . 2]" 1
1161 1 90 ARG H 1 90 ARG HB2 . . 3.720 2.458 2.005 3.356 . 0 0 "[ . 1 . 2]" 1
1162 1 90 ARG H 1 90 ARG HB3 . . 3.170 3.089 2.061 3.766 0.596 11 1 "[ . 1+ . 2]" 1
1163 1 90 ARG H 1 90 ARG QD . . 4.630 4.046 2.613 4.514 . 0 0 "[ . 1 . 2]" 1
1164 1 90 ARG H 1 90 ARG QG . . 3.890 3.120 2.049 3.749 . 0 0 "[ . 1 . 2]" 1
1165 1 90 ARG H 1 91 VAL H . . 3.320 2.682 2.023 3.076 . 0 0 "[ . 1 . 2]" 1
1166 1 90 ARG H 1 92 VAL H . . 4.550 4.108 3.376 4.590 0.040 9 0 "[ . 1 . 2]" 1
1167 1 90 ARG HA 1 90 ARG QD . . 4.260 2.221 2.024 2.745 . 0 0 "[ . 1 . 2]" 1
1168 1 90 ARG HA 1 90 ARG HE . . 4.510 4.152 2.607 4.598 0.088 17 0 "[ . 1 . 2]" 1
1169 1 90 ARG HA 1 92 VAL H . . 4.880 4.688 4.265 4.931 0.051 1 0 "[ . 1 . 2]" 1
1170 1 90 ARG HA 1 93 GLU H . . 4.350 3.534 2.809 3.948 . 0 0 "[ . 1 . 2]" 1
1171 1 90 ARG HA 1 93 GLU QB . . 4.540 2.601 2.074 3.139 . 0 0 "[ . 1 . 2]" 1
1172 1 90 ARG HA 1 94 GLN H . . 4.910 4.555 4.087 4.989 0.079 11 0 "[ . 1 . 2]" 1
1173 1 90 ARG HB2 1 91 VAL H . . 4.140 3.246 2.515 4.198 0.058 16 0 "[ . 1 . 2]" 1
1174 1 90 ARG HB3 1 90 ARG HE . . 5.040 4.212 2.397 4.740 . 0 0 "[ . 1 . 2]" 1
1175 1 90 ARG HB3 1 91 VAL H . . 3.740 3.111 2.602 3.854 0.114 7 0 "[ . 1 . 2]" 1
1176 1 90 ARG HB3 1 91 VAL QG . . 4.990 4.053 3.065 5.042 0.052 7 0 "[ . 1 . 2]" 1
1177 1 90 ARG QD 1 93 GLU QB . . 4.810 3.514 2.606 4.236 . 0 0 "[ . 1 . 2]" 1
1178 1 91 VAL H 1 91 VAL HB . . 3.950 2.611 2.417 3.557 . 0 0 "[ . 1 . 2]" 1
1179 1 91 VAL H 1 91 VAL QG . . 3.870 1.987 1.832 2.142 . 0 0 "[ . 1 . 2]" 1
1180 1 91 VAL H 1 92 VAL H . . 3.210 2.722 2.421 2.869 . 0 0 "[ . 1 . 2]" 1
1181 1 91 VAL H 1 92 VAL QG . . 5.310 4.113 3.831 4.246 . 0 0 "[ . 1 . 2]" 1
1182 1 91 VAL HA 1 93 GLU H . . 4.860 4.306 4.096 4.463 . 0 0 "[ . 1 . 2]" 1
1183 1 91 VAL HA 1 94 GLN H . . 4.160 3.655 3.420 3.830 . 0 0 "[ . 1 . 2]" 1
1184 1 91 VAL HA 1 94 GLN QB . . 4.560 3.792 2.741 4.478 . 0 0 "[ . 1 . 2]" 1
1185 1 91 VAL HA 1 94 GLN QG . . 4.530 3.473 2.324 4.431 . 0 0 "[ . 1 . 2]" 1
1186 1 91 VAL HA 1 95 MET QG . . 5.090 4.293 3.942 4.615 . 0 0 "[ . 1 . 2]" 1
1187 1 91 VAL HB 1 92 VAL H . . 4.090 3.571 2.430 4.142 0.052 9 0 "[ . 1 . 2]" 1
1188 1 91 VAL QG 1 92 VAL H . . 3.990 2.539 2.156 3.261 . 0 0 "[ . 1 . 2]" 1
1189 1 91 VAL QG 1 92 VAL QG . . 5.260 2.522 2.063 3.278 . 0 0 "[ . 1 . 2]" 1
1190 1 91 VAL QG 1 94 GLN QE . . 4.800 3.874 3.271 4.408 . 0 0 "[ . 1 . 2]" 1
1191 1 91 VAL QG 1 95 MET ME . . 4.510 3.424 2.236 3.942 . 0 0 "[ . 1 . 2]" 1
1192 1 91 VAL QG 1 95 MET QG . . 5.090 2.932 2.525 4.214 . 0 0 "[ . 1 . 2]" 1
1193 1 92 VAL H 1 92 VAL HB . . 3.170 2.463 2.325 2.867 . 0 0 "[ . 1 . 2]" 1
1194 1 92 VAL H 1 92 VAL QG . . 3.640 2.199 2.048 2.278 . 0 0 "[ . 1 . 2]" 1
1195 1 92 VAL H 1 93 GLU H . . 3.420 2.693 2.469 2.813 . 0 0 "[ . 1 . 2]" 1
1196 1 92 VAL HA 1 95 MET H . . 3.960 3.342 2.767 3.873 . 0 0 "[ . 1 . 2]" 1
1197 1 92 VAL HA 1 95 MET QB . . 4.690 2.722 2.112 4.117 . 0 0 "[ . 1 . 2]" 1
1198 1 92 VAL HA 1 95 MET ME . . 3.410 2.986 2.154 3.524 0.114 20 0 "[ . 1 . 2]" 1
1199 1 92 VAL HA 1 95 MET QG . . 4.800 3.051 1.944 3.890 . 0 0 "[ . 1 . 2]" 1
1200 1 92 VAL HB 1 93 GLU H . . 4.300 3.145 2.801 4.377 0.077 11 0 "[ . 1 . 2]" 1
1201 1 92 VAL QG 1 93 GLU H . . 4.490 3.494 2.740 3.629 . 0 0 "[ . 1 . 2]" 1
1202 1 93 GLU H 1 93 GLU QB . . 3.080 2.176 1.998 2.267 . 0 0 "[ . 1 . 2]" 1
1203 1 93 GLU H 1 93 GLU QG . . 4.830 3.935 3.182 4.039 . 0 0 "[ . 1 . 2]" 1
1204 1 93 GLU H 1 94 GLN H . . 3.530 2.905 2.791 3.066 . 0 0 "[ . 1 . 2]" 1
1205 1 93 GLU HA 1 93 GLU QG . . 3.610 2.506 2.288 2.765 . 0 0 "[ . 1 . 2]" 1
1206 1 93 GLU HA 1 96 CYS QB . . 4.690 2.566 2.306 3.444 . 0 0 "[ . 1 . 2]" 1
1207 1 93 GLU QB 1 94 GLN H . . 4.830 2.560 2.299 3.449 . 0 0 "[ . 1 . 2]" 1
1208 1 94 GLN H 1 94 GLN QB . . 2.970 2.426 2.111 2.905 . 0 0 "[ . 1 . 2]" 1
1209 1 94 GLN H 1 94 GLN QE . . 3.680 3.279 2.204 3.709 0.029 8 0 "[ . 1 . 2]" 1
1210 1 94 GLN H 1 94 GLN QG . . 4.110 2.714 2.140 3.693 . 0 0 "[ . 1 . 2]" 1
1211 1 94 GLN H 1 95 MET H . . 3.500 2.581 2.111 2.860 . 0 0 "[ . 1 . 2]" 1
1212 1 94 GLN H 1 96 CYS H . . 4.610 4.010 3.569 4.184 . 0 0 "[ . 1 . 2]" 1
1213 1 94 GLN H 1 96 CYS QB . . 4.820 4.654 4.412 4.762 . 0 0 "[ . 1 . 2]" 1
1214 1 94 GLN HA 1 94 GLN QE . . 4.880 4.391 3.342 4.748 . 0 0 "[ . 1 . 2]" 1
1215 1 94 GLN HA 1 97 VAL H . . 4.030 3.296 2.973 3.665 . 0 0 "[ . 1 . 2]" 1
1216 1 94 GLN HA 1 97 VAL HB . . 4.180 2.855 2.478 4.018 . 0 0 "[ . 1 . 2]" 1
1217 1 94 GLN HA 1 97 VAL QG . . 4.190 2.984 2.043 3.357 . 0 0 "[ . 1 . 2]" 1
1218 1 94 GLN QB 1 95 MET H . . 4.590 3.143 2.385 3.722 . 0 0 "[ . 1 . 2]" 1
1219 1 95 MET H 1 95 MET QB . . 3.380 2.393 2.196 2.699 . 0 0 "[ . 1 . 2]" 1
1220 1 95 MET H 1 95 MET ME . . 5.270 4.331 3.742 4.720 . 0 0 "[ . 1 . 2]" 1
1221 1 95 MET H 1 95 MET QG . . 3.700 2.307 1.794 2.611 . 0 0 "[ . 1 . 2]" 1
1222 1 95 MET H 1 96 CYS H . . 3.400 2.538 2.323 2.663 . 0 0 "[ . 1 . 2]" 1
1223 1 95 MET H 1 96 CYS HA . . 5.130 5.162 4.979 5.204 0.074 2 0 "[ . 1 . 2]" 1
1224 1 95 MET H 1 97 VAL H . . 4.340 4.085 3.886 4.261 . 0 0 "[ . 1 . 2]" 1
1225 1 95 MET H 1 98 THR H . . 4.580 4.648 4.619 4.663 0.083 16 0 "[ . 1 . 2]" 1
1226 1 95 MET HA 1 95 MET ME . . 5.210 4.290 3.961 4.844 . 0 0 "[ . 1 . 2]" 1
1227 1 95 MET HA 1 98 THR H . . 4.230 3.259 2.997 3.663 . 0 0 "[ . 1 . 2]" 1
1228 1 95 MET HA 1 98 THR HB . . 3.940 2.499 2.192 2.730 . 0 0 "[ . 1 . 2]" 1
1229 1 95 MET HA 1 98 THR MG . . 4.830 3.842 3.408 4.122 . 0 0 "[ . 1 . 2]" 1
1230 1 95 MET QB 1 95 MET ME . . 2.670 2.096 1.937 2.642 . 0 0 "[ . 1 . 2]" 1
1231 1 95 MET QB 1 96 CYS H . . 3.840 2.803 2.443 3.430 . 0 0 "[ . 1 . 2]" 1
1232 1 95 MET ME 1 96 CYS HA . . 5.240 5.303 5.087 5.355 0.115 18 0 "[ . 1 . 2]" 1
1233 1 96 CYS H 1 96 CYS QB . . 3.380 2.224 2.107 2.409 . 0 0 "[ . 1 . 2]" 1
1234 1 96 CYS H 1 97 VAL H . . 3.620 2.843 2.704 3.002 . 0 0 "[ . 1 . 2]" 1
1235 1 96 CYS H 1 98 THR H . . 4.870 4.258 4.075 4.438 . 0 0 "[ . 1 . 2]" 1
1236 1 96 CYS HA 1 99 GLN H . . 4.140 3.542 3.297 3.756 . 0 0 "[ . 1 . 2]" 1
1237 1 96 CYS HA 1 99 GLN HB2 . . 4.860 4.894 4.585 4.948 0.088 4 0 "[ . 1 . 2]" 1
1238 1 96 CYS HA 1 99 GLN HB3 . . 4.240 4.079 3.220 4.326 0.086 5 0 "[ . 1 . 2]" 1
1239 1 96 CYS HA 1 100 TYR H . . 4.510 3.950 3.813 4.244 . 0 0 "[ . 1 . 2]" 1
1240 1 96 CYS QB 1 97 VAL H . . 4.460 2.594 2.408 2.895 . 0 0 "[ . 1 . 2]" 1
1241 1 97 VAL H 1 97 VAL HB . . 3.220 2.551 2.390 3.291 0.071 13 0 "[ . 1 . 2]" 1
1242 1 97 VAL H 1 97 VAL QG . . 3.740 2.275 1.971 2.449 . 0 0 "[ . 1 . 2]" 1
1243 1 97 VAL H 1 98 THR H . . 3.490 2.805 2.652 2.899 . 0 0 "[ . 1 . 2]" 1
1244 1 97 VAL H 1 98 THR HB . . 4.930 4.929 4.652 5.001 0.071 1 0 "[ . 1 . 2]" 1
1245 1 97 VAL H 1 99 GLN H . . 4.470 4.359 4.028 4.516 0.046 10 0 "[ . 1 . 2]" 1
1246 1 97 VAL H 1 99 GLN HG3 . . 4.980 4.775 4.335 5.074 0.094 13 0 "[ . 1 . 2]" 1
1247 1 97 VAL HA 1 100 TYR H . . 4.220 3.329 3.141 3.497 . 0 0 "[ . 1 . 2]" 1
1248 1 97 VAL HA 1 100 TYR HB2 . . 4.430 3.538 3.230 3.844 . 0 0 "[ . 1 . 2]" 1
1249 1 97 VAL HA 1 101 GLN H . . 4.750 3.926 3.687 4.212 . 0 0 "[ . 1 . 2]" 1
1250 1 97 VAL HA 1 101 GLN HE21 . . 5.030 4.952 4.538 5.111 0.081 1 0 "[ . 1 . 2]" 1
1251 1 97 VAL HA 1 101 GLN HG2 . . 5.090 4.206 3.528 5.171 0.081 16 0 "[ . 1 . 2]" 1
1252 1 97 VAL HA 1 101 GLN HG3 . . 4.870 4.383 3.679 4.865 . 0 0 "[ . 1 . 2]" 1
1253 1 97 VAL HB 1 98 THR H . . 3.440 2.737 2.616 3.008 . 0 0 "[ . 1 . 2]" 1
1254 1 97 VAL HB 1 98 THR HA . . 4.450 4.455 4.076 4.518 0.068 14 0 "[ . 1 . 2]" 1
1255 1 97 VAL QG 1 98 THR H . . 4.350 3.215 3.078 3.471 . 0 0 "[ . 1 . 2]" 1
1256 1 97 VAL QG 1 98 THR HA . . 5.500 3.469 3.191 4.437 . 0 0 "[ . 1 . 2]" 1
1257 1 97 VAL QG 1 100 TYR HB3 . . 5.100 3.408 3.229 3.536 . 0 0 "[ . 1 . 2]" 1
1258 1 97 VAL QG 1 100 TYR QE . . 4.640 3.557 2.230 4.408 . 0 0 "[ . 1 . 2]" 1
1259 1 97 VAL QG 1 101 GLN HE21 . . 4.530 2.381 1.914 3.228 . 0 0 "[ . 1 . 2]" 1
1260 1 97 VAL QG 1 101 GLN HG2 . . 4.960 2.845 2.448 3.713 . 0 0 "[ . 1 . 2]" 1
1261 1 97 VAL QG 1 101 GLN HG3 . . 5.300 2.683 2.330 3.205 . 0 0 "[ . 1 . 2]" 1
1262 1 98 THR H 1 98 THR HB . . 3.390 2.471 2.155 2.706 . 0 0 "[ . 1 . 2]" 1
1263 1 98 THR H 1 98 THR MG . . 4.640 3.738 3.653 3.794 . 0 0 "[ . 1 . 2]" 1
1264 1 98 THR H 1 99 GLN H . . 3.550 2.909 2.767 3.051 . 0 0 "[ . 1 . 2]" 1
1265 1 98 THR H 1 101 GLN H . . 4.790 4.860 4.819 4.879 0.089 3 0 "[ . 1 . 2]" 1
1266 1 98 THR HA 1 101 GLN H . . 4.450 3.697 3.427 3.910 . 0 0 "[ . 1 . 2]" 1
1267 1 98 THR HA 1 101 GLN HB2 . . 4.560 3.380 2.985 3.681 . 0 0 "[ . 1 . 2]" 1
1268 1 98 THR HA 1 101 GLN HB3 . . 4.830 4.821 4.419 4.907 0.077 16 0 "[ . 1 . 2]" 1
1269 1 98 THR HB 1 99 GLN H . . 3.610 2.788 2.466 3.675 0.065 18 0 "[ . 1 . 2]" 1
1270 1 98 THR MG 1 99 GLN H . . 4.750 3.515 2.718 4.277 . 0 0 "[ . 1 . 2]" 1
1271 1 98 THR MG 1 99 GLN HB3 . . 4.700 4.198 3.171 4.735 0.035 13 0 "[ . 1 . 2]" 1
1272 1 98 THR MG 1 102 LYS QD . . 4.460 4.216 3.750 4.598 0.138 18 0 "[ . 1 . 2]" 1
1273 1 99 GLN H 1 99 GLN HB2 . . 3.580 3.603 3.556 3.666 0.086 18 0 "[ . 1 . 2]" 1
1274 1 99 GLN H 1 99 GLN HB3 . . 3.810 2.487 2.315 2.630 . 0 0 "[ . 1 . 2]" 1
1275 1 99 GLN H 1 99 GLN HE21 . . 4.680 4.226 3.714 4.741 0.061 9 0 "[ . 1 . 2]" 1
1276 1 99 GLN H 1 100 TYR H . . 3.670 2.521 1.933 2.653 . 0 0 "[ . 1 . 2]" 1
1277 1 99 GLN HA 1 99 GLN HE22 . . 5.370 5.393 5.212 5.447 0.077 1 0 "[ . 1 . 2]" 1
1278 1 99 GLN HA 1 102 LYS H . . 4.400 3.988 3.637 4.435 0.035 2 0 "[ . 1 . 2]" 1
1279 1 99 GLN HA 1 102 LYS QB . . 4.860 4.144 3.696 4.672 . 0 0 "[ . 1 . 2]" 1
1280 1 99 GLN HA 1 102 LYS QD . . 4.730 3.023 2.235 4.315 . 0 0 "[ . 1 . 2]" 1
1281 1 99 GLN HB2 1 100 TYR H . . 4.560 4.118 3.750 4.280 . 0 0 "[ . 1 . 2]" 1
1282 1 99 GLN HE21 1 100 TYR QD . . 4.140 4.234 4.197 4.253 0.113 19 0 "[ . 1 . 2]" 1
1283 1 99 GLN HE21 1 103 GLU HG2 . . 5.200 4.448 3.656 5.254 0.054 20 0 "[ . 1 . 2]" 1
1284 1 99 GLN HE22 1 100 TYR H . . 4.680 4.024 3.630 4.441 . 0 0 "[ . 1 . 2]" 1
1285 1 99 GLN HE22 1 100 TYR HB3 . . 4.870 4.754 3.544 5.444 0.574 8 1 "[ . + 1 . 2]" 1
1286 1 99 GLN HE22 1 103 GLU HB2 . . 4.950 4.582 3.514 5.022 0.072 5 0 "[ . 1 . 2]" 1
1287 1 99 GLN HE22 1 103 GLU HG2 . . 5.090 3.708 2.729 4.695 . 0 0 "[ . 1 . 2]" 1
1288 1 99 GLN HE22 1 103 GLU HG3 . . 5.210 3.465 2.195 4.875 . 0 0 "[ . 1 . 2]" 1
1289 1 100 TYR H 1 100 TYR HB2 . . 3.550 2.867 2.720 3.209 . 0 0 "[ . 1 . 2]" 1
1290 1 100 TYR H 1 100 TYR HB3 . . 3.240 2.146 2.016 2.271 . 0 0 "[ . 1 . 2]" 1
1291 1 100 TYR H 1 100 TYR QD . . 4.800 3.833 3.397 4.086 . 0 0 "[ . 1 . 2]" 1
1292 1 100 TYR H 1 101 GLN H . . 3.720 2.664 2.454 2.840 . 0 0 "[ . 1 . 2]" 1
1293 1 100 TYR H 1 101 GLN HG3 . . 4.910 4.785 4.294 4.993 0.083 15 0 "[ . 1 . 2]" 1
1294 1 100 TYR HA 1 100 TYR QD . . 4.020 3.122 2.796 3.421 . 0 0 "[ . 1 . 2]" 1
1295 1 100 TYR HB2 1 101 GLN H . . 4.180 4.160 4.027 4.248 0.068 13 0 "[ . 1 . 2]" 1
1296 1 100 TYR QD 1 101 GLN H . . 4.310 2.833 2.581 3.030 . 0 0 "[ . 1 . 2]" 1
1297 1 100 TYR QD 1 101 GLN HB2 . . 4.340 4.421 4.275 4.443 0.103 18 0 "[ . 1 . 2]" 1
1298 1 100 TYR QD 1 101 GLN HG2 . . 3.550 2.409 2.118 3.404 . 0 0 "[ . 1 . 2]" 1
1299 1 100 TYR QD 1 101 GLN HG3 . . 4.440 3.469 2.216 4.055 . 0 0 "[ . 1 . 2]" 1
1300 1 100 TYR QE 1 101 GLN HG2 . . 4.560 3.462 2.757 4.274 . 0 0 "[ . 1 . 2]" 1
1301 1 101 GLN H 1 101 GLN HB3 . . 3.530 3.571 3.503 3.600 0.070 19 0 "[ . 1 . 2]" 1
1302 1 101 GLN H 1 101 GLN HG2 . . 3.540 2.677 2.170 3.507 . 0 0 "[ . 1 . 2]" 1
1303 1 101 GLN H 1 101 GLN HG3 . . 4.470 2.742 2.055 3.157 . 0 0 "[ . 1 . 2]" 1
1304 1 101 GLN H 1 102 LYS H . . 4.020 2.897 2.805 3.000 . 0 0 "[ . 1 . 2]" 1
1305 1 101 GLN HA 1 103 GLU H . . 4.780 4.663 4.413 4.832 0.052 15 0 "[ . 1 . 2]" 1
1306 1 101 GLN HA 1 104 SER H . . 4.680 3.497 3.207 3.718 . 0 0 "[ . 1 . 2]" 1
1307 1 101 GLN HA 1 104 SER HB2 . . 3.900 3.538 2.303 4.699 0.799 2 1 "[ + . 1 . 2]" 1
1308 1 101 GLN HA 1 104 SER HB3 . . 4.750 2.921 2.248 3.954 . 0 0 "[ . 1 . 2]" 1
1309 1 101 GLN HB2 1 102 LYS H . . 4.470 3.160 2.868 3.573 . 0 0 "[ . 1 . 2]" 1
1310 1 101 GLN HB3 1 102 LYS H . . 4.120 3.971 3.648 4.196 0.076 2 0 "[ . 1 . 2]" 1
1311 1 101 GLN HG3 1 102 LYS QD . . 5.050 5.020 4.281 5.150 0.100 1 0 "[ . 1 . 2]" 1
1312 1 102 LYS H 1 102 LYS QB . . 3.270 2.449 2.262 2.751 . 0 0 "[ . 1 . 2]" 1
1313 1 102 LYS H 1 102 LYS HG3 . . 4.200 3.730 3.210 4.086 . 0 0 "[ . 1 . 2]" 1
1314 1 102 LYS H 1 103 GLU H . . 3.680 2.563 2.152 2.864 . 0 0 "[ . 1 . 2]" 1
1315 1 102 LYS H 1 104 SER H . . 4.440 3.934 3.618 4.281 . 0 0 "[ . 1 . 2]" 1
1316 1 102 LYS QB 1 103 GLU H . . 3.760 2.420 2.176 2.778 . 0 0 "[ . 1 . 2]" 1
1317 1 102 LYS QB 1 103 GLU HA . . 4.210 3.859 3.614 4.200 . 0 0 "[ . 1 . 2]" 1
1318 1 103 GLU H 1 103 GLU HB2 . . 3.680 2.658 2.346 2.860 . 0 0 "[ . 1 . 2]" 1
1319 1 103 GLU H 1 103 GLU HB3 . . 3.910 3.601 3.540 3.686 . 0 0 "[ . 1 . 2]" 1
1320 1 103 GLU H 1 103 GLU HG2 . . 4.370 2.252 1.926 4.025 . 0 0 "[ . 1 . 2]" 1
1321 1 103 GLU H 1 103 GLU HG3 . . 3.900 3.590 3.458 3.864 . 0 0 "[ . 1 . 2]" 1
1322 1 103 GLU H 1 105 GLN H . . 4.320 4.271 3.893 4.389 0.069 1 0 "[ . 1 . 2]" 1
1323 1 103 GLU H 1 106 ALA MB . . 5.310 4.706 4.412 5.186 . 0 0 "[ . 1 . 2]" 1
1324 1 103 GLU HA 1 106 ALA MB . . 4.050 2.563 2.193 3.017 . 0 0 "[ . 1 . 2]" 1
1325 1 103 GLU HB2 1 104 SER H . . 3.920 2.603 2.371 2.939 . 0 0 "[ . 1 . 2]" 1
1326 1 103 GLU HB3 1 104 SER H . . 4.540 3.659 3.356 3.861 . 0 0 "[ . 1 . 2]" 1
1327 1 103 GLU HG3 1 104 SER H . . 4.790 4.884 4.672 5.177 0.387 12 0 "[ . 1 . 2]" 1
1328 1 104 SER H 1 104 SER HB2 . . 3.590 2.712 2.136 3.622 0.032 18 0 "[ . 1 . 2]" 1
1329 1 104 SER H 1 104 SER HB3 . . 3.770 2.549 2.083 3.561 . 0 0 "[ . 1 . 2]" 1
1330 1 104 SER H 1 105 GLN H . . 3.420 2.846 2.645 2.956 . 0 0 "[ . 1 . 2]" 1
1331 1 104 SER HA 1 107 TYR H . . 4.220 3.483 3.009 4.196 . 0 0 "[ . 1 . 2]" 1
1332 1 104 SER HA 1 107 TYR HB2 . . 4.910 3.647 3.186 4.111 . 0 0 "[ . 1 . 2]" 1
1333 1 104 SER HA 1 107 TYR HB3 . . 4.190 2.477 2.121 3.333 . 0 0 "[ . 1 . 2]" 1
1334 1 104 SER HB2 1 105 GLN H . . 4.250 3.944 3.370 4.220 . 0 0 "[ . 1 . 2]" 1
1335 1 104 SER HB3 1 105 GLN H . . 4.150 3.229 2.491 4.137 . 0 0 "[ . 1 . 2]" 1
1336 1 105 GLN H 1 105 GLN QB . . 2.880 2.298 2.017 2.819 . 0 0 "[ . 1 . 2]" 1
1337 1 105 GLN H 1 105 GLN HG2 . . 4.280 3.913 2.080 4.523 0.243 12 0 "[ . 1 . 2]" 1
1338 1 105 GLN HA 1 107 TYR H . . 4.750 4.035 3.450 4.435 . 0 0 "[ . 1 . 2]" 1
1339 1 105 GLN HA 1 107 TYR QD . . 4.630 4.681 4.009 4.743 0.113 19 0 "[ . 1 . 2]" 1
1340 1 105 GLN HA 1 108 TYR H . . 4.500 3.261 2.875 3.604 . 0 0 "[ . 1 . 2]" 1
1341 1 105 GLN HA 1 108 TYR QB . . 4.340 3.062 2.303 4.264 . 0 0 "[ . 1 . 2]" 1
1342 1 105 GLN HA 1 108 TYR QD . . 4.550 2.636 2.058 3.280 . 0 0 "[ . 1 . 2]" 1
1343 1 105 GLN QB 1 106 ALA MB . . 5.210 3.988 3.731 4.680 . 0 0 "[ . 1 . 2]" 1
1344 1 106 ALA H 1 106 ALA MB . . 3.090 2.222 2.166 2.281 . 0 0 "[ . 1 . 2]" 1
1345 1 106 ALA H 1 107 TYR H . . 3.360 2.673 2.511 2.857 . 0 0 "[ . 1 . 2]" 1
1346 1 106 ALA H 1 108 TYR H . . 4.470 4.437 4.117 4.549 0.079 9 0 "[ . 1 . 2]" 1
1347 1 106 ALA H 1 109 ASP H . . 4.790 4.744 4.597 4.861 0.071 12 0 "[ . 1 . 2]" 1
1348 1 106 ALA HA 1 109 ASP H . . 4.420 3.642 3.212 4.467 0.047 12 0 "[ . 1 . 2]" 1
1349 1 106 ALA HA 1 109 ASP QB . . 4.090 3.355 2.147 4.182 0.092 10 0 "[ . 1 . 2]" 1
1350 1 106 ALA MB 1 107 TYR H . . 3.680 2.788 2.479 3.420 . 0 0 "[ . 1 . 2]" 1
1351 1 106 ALA MB 1 107 TYR HA . . 5.300 4.053 3.728 4.388 . 0 0 "[ . 1 . 2]" 1
1352 1 106 ALA MB 1 109 ASP H . . 5.400 4.821 4.445 5.367 . 0 0 "[ . 1 . 2]" 1
1353 1 106 ALA MB 1 109 ASP QB . . 5.250 4.491 3.694 5.325 0.075 2 0 "[ . 1 . 2]" 1
1354 1 107 TYR H 1 107 TYR HB2 . . 3.180 2.866 2.443 3.257 0.077 10 0 "[ . 1 . 2]" 1
1355 1 107 TYR H 1 107 TYR HB3 . . 3.200 2.114 1.996 2.267 . 0 0 "[ . 1 . 2]" 1
1356 1 107 TYR H 1 107 TYR QD . . 4.360 3.833 3.518 4.069 . 0 0 "[ . 1 . 2]" 1
1357 1 107 TYR H 1 108 TYR H . . 3.250 2.730 1.981 3.029 . 0 0 "[ . 1 . 2]" 1
1358 1 107 TYR H 1 108 TYR QD . . 4.680 4.690 4.217 4.777 0.097 11 0 "[ . 1 . 2]" 1
1359 1 107 TYR HA 1 107 TYR QD . . 3.310 3.106 2.728 3.378 0.068 14 0 "[ . 1 . 2]" 1
1360 1 107 TYR HB2 1 108 TYR H . . 4.720 4.051 3.849 4.260 . 0 0 "[ . 1 . 2]" 1
1361 1 107 TYR HB3 1 108 TYR H . . 3.340 2.768 2.412 3.063 . 0 0 "[ . 1 . 2]" 1
1362 1 107 TYR HB3 1 108 TYR QD . . 4.210 4.218 3.686 4.305 0.095 16 0 "[ . 1 . 2]" 1
1363 1 107 TYR HB3 1 109 ASP H . . 5.030 4.975 4.676 5.108 0.078 14 0 "[ . 1 . 2]" 1
1364 1 107 TYR QD 1 108 TYR H . . 4.530 2.611 2.378 3.402 . 0 0 "[ . 1 . 2]" 1
1365 1 107 TYR QD 1 108 TYR HA . . 4.510 3.632 3.217 4.296 . 0 0 "[ . 1 . 2]" 1
1366 1 107 TYR QE 1 108 TYR H . . 4.660 4.607 4.382 4.751 0.091 9 0 "[ . 1 . 2]" 1
1367 1 107 TYR QE 1 108 TYR QD . . 3.860 3.456 2.824 3.872 0.012 9 0 "[ . 1 . 2]" 1
1368 1 108 TYR H 1 108 TYR QB . . 3.050 2.364 2.210 2.519 . 0 0 "[ . 1 . 2]" 1
1369 1 108 TYR H 1 108 TYR QD . . 3.920 2.842 2.582 3.047 . 0 0 "[ . 1 . 2]" 1
1370 1 108 TYR H 1 109 ASP H . . 3.940 2.520 2.161 2.850 . 0 0 "[ . 1 . 2]" 1
1371 1 108 TYR HA 1 108 TYR QD . . 3.470 2.702 2.348 3.577 0.107 20 0 "[ . 1 . 2]" 1
1372 1 108 TYR HA 1 110 GLY H . . 4.620 4.025 3.493 4.485 . 0 0 "[ . 1 . 2]" 1
1373 1 108 TYR QB 1 109 ASP H . . 3.870 2.707 2.293 3.474 . 0 0 "[ . 1 . 2]" 1
1374 1 108 TYR QD 1 109 ASP H . . 4.320 4.134 3.083 4.418 0.098 10 0 "[ . 1 . 2]" 1
1375 1 109 ASP H 1 109 ASP QB . . 3.000 2.625 2.146 2.986 . 0 0 "[ . 1 . 2]" 1
1376 1 109 ASP H 1 110 GLY H . . 3.460 2.891 2.476 3.552 0.092 12 0 "[ . 1 . 2]" 1
1377 1 109 ASP H 1 110 GLY QA . . 4.800 4.661 4.244 4.901 0.101 15 0 "[ . 1 . 2]" 1
1378 1 109 ASP QB 1 110 GLY H . . 3.700 3.357 2.356 3.816 0.116 18 0 "[ . 1 . 2]" 1
1379 1 110 GLY H 1 111 ARG QD . . 4.770 4.568 3.869 4.857 0.087 10 0 "[ . 1 . 2]" 1
1380 1 110 GLY QA 1 111 ARG H . . 3.560 2.467 2.084 2.991 . 0 0 "[ . 1 . 2]" 1
1381 1 111 ARG H 1 111 ARG HB2 . . 3.470 3.113 2.451 3.811 0.341 15 0 "[ . 1 . 2]" 1
1382 1 111 ARG H 1 111 ARG HB3 . . 3.740 3.502 2.423 3.806 0.066 6 0 "[ . 1 . 2]" 1
1383 1 111 ARG H 1 111 ARG QD . . 4.820 2.946 1.851 4.619 . 0 0 "[ . 1 . 2]" 1
1384 1 111 ARG H 1 111 ARG HE . . 5.080 4.477 3.305 5.164 0.084 11 0 "[ . 1 . 2]" 1
1385 1 111 ARG H 1 111 ARG QG . . 3.700 2.736 1.982 3.776 0.076 13 0 "[ . 1 . 2]" 1
1386 1 111 ARG H 1 112 ARG H . . 3.790 3.174 2.123 3.867 0.077 18 0 "[ . 1 . 2]" 1
1387 1 111 ARG HA 1 111 ARG QG . . 4.020 2.944 2.170 3.650 . 0 0 "[ . 1 . 2]" 1
1388 1 111 ARG HA 1 112 ARG H . . 3.160 2.686 2.086 3.214 0.054 9 0 "[ . 1 . 2]" 1
1389 1 111 ARG HB2 1 111 ARG HE . . 5.010 3.650 1.943 4.846 . 0 0 "[ . 1 . 2]" 1
1390 1 111 ARG HB2 1 112 ARG H . . 4.740 4.340 3.785 4.560 . 0 0 "[ . 1 . 2]" 1
1391 1 111 ARG HB3 1 111 ARG HE . . 4.770 3.488 2.066 4.693 . 0 0 "[ . 1 . 2]" 1
1392 1 112 ARG H 1 112 ARG HB2 . . 3.430 3.038 1.846 3.802 0.372 18 0 "[ . 1 . 2]" 1
1393 1 112 ARG H 1 112 ARG HB3 . . 3.740 3.340 2.634 3.816 0.076 7 0 "[ . 1 . 2]" 1
1394 1 112 ARG H 1 113 SER H . . 3.520 3.196 2.424 3.602 0.082 19 0 "[ . 1 . 2]" 1
1395 1 112 ARG HA 1 112 ARG QD . . 4.530 3.731 2.175 4.426 . 0 0 "[ . 1 . 2]" 1
1396 1 112 ARG HA 1 113 SER H . . 3.110 2.477 2.077 3.185 0.075 8 0 "[ . 1 . 2]" 1
1397 1 112 ARG HB3 1 113 SER H . . 4.410 4.371 3.761 4.665 0.255 14 0 "[ . 1 . 2]" 1
1398 1 113 SER H 1 113 SER HB2 . . 3.810 3.080 2.157 4.055 0.245 4 0 "[ . 1 . 2]" 1
1399 1 113 SER H 1 114 SER H . . 4.560 3.711 2.165 4.552 . 0 0 "[ . 1 . 2]" 1
1400 1 113 SER HA 1 114 SER H . . 3.540 2.588 2.087 3.603 0.063 18 0 "[ . 1 . 2]" 1
1401 1 113 SER HB2 1 114 SER H . . 4.730 3.943 2.425 4.646 . 0 0 "[ . 1 . 2]" 1
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