NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
386286 |
1lg4   |
5145 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1lg4
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 1515
_Distance_constraint_stats_list.Viol_count 3335
_Distance_constraint_stats_list.Viol_total 5681.319
_Distance_constraint_stats_list.Viol_max 0.967
_Distance_constraint_stats_list.Viol_rms 0.0389
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0094
_Distance_constraint_stats_list.Viol_average_violations_only 0.0852
_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 29 ALA 2.053 0.126 19 0 "[ . 1 . 2]"
1 30 GLU 2.683 0.146 6 0 "[ . 1 . 2]"
1 31 ASN 6.278 0.478 13 0 "[ . 1 . 2]"
1 32 ARG 14.062 0.707 19 4 "[* -. 1 * . +2]"
1 33 PRO 7.335 0.271 19 0 "[ . 1 . 2]"
1 34 GLY 3.116 0.101 12 0 "[ . 1 . 2]"
1 35 ALA 14.726 0.707 19 4 "[* -. 1 * . +2]"
1 36 PHE 12.128 0.598 2 1 "[ + . 1 . 2]"
1 37 ILE 3.709 0.192 3 0 "[ . 1 . 2]"
1 38 LYS 9.524 0.967 18 5 "[** . 1 -. + *]"
1 39 GLN 3.796 0.346 14 0 "[ . 1 . 2]"
1 40 GLY 1.259 0.654 18 1 "[ . 1 . + 2]"
1 41 ARG 5.101 0.645 4 4 "[ *+* 1 . - 2]"
1 42 LYS 9.790 0.773 9 2 "[ . +1 .* 2]"
1 43 LEU 10.288 0.560 12 5 "[* *.- 1 +* . 2]"
1 44 ASP 2.143 0.452 8 0 "[ . 1 . 2]"
1 45 ILE 9.576 0.416 9 0 "[ . 1 . 2]"
1 46 ASP 0.827 0.160 17 0 "[ . 1 . 2]"
1 47 PHE 8.405 0.685 12 2 "[ .- 1 + . 2]"
1 48 GLY 0.838 0.084 13 0 "[ . 1 . 2]"
1 49 ALA 1.256 0.508 4 1 "[ +. 1 . 2]"
1 50 GLU 1.813 0.508 4 1 "[ +. 1 . 2]"
1 51 GLY 0.993 0.090 17 0 "[ . 1 . 2]"
1 52 ASN 0.611 0.080 18 0 "[ . 1 . 2]"
1 53 ARG 9.935 0.268 1 0 "[ . 1 . 2]"
1 54 TYR 7.544 0.116 7 0 "[ . 1 . 2]"
1 55 TYR 8.321 0.124 8 0 "[ . 1 . 2]"
1 56 GLU 3.155 0.434 9 0 "[ . 1 . 2]"
1 57 ALA 7.650 0.115 12 0 "[ . 1 . 2]"
1 58 ASN 3.834 0.115 12 0 "[ . 1 . 2]"
1 59 TYR 12.080 0.773 9 2 "[ . +1 .* 2]"
1 60 TRP 4.044 0.099 1 0 "[ . 1 . 2]"
1 61 GLN 5.069 0.101 10 0 "[ . 1 . 2]"
1 62 PHE 5.462 0.101 10 0 "[ . 1 . 2]"
1 63 PRO 1.501 0.090 2 0 "[ . 1 . 2]"
1 64 ASP 0.054 0.054 16 0 "[ . 1 . 2]"
1 65 GLY 0.302 0.079 13 0 "[ . 1 . 2]"
1 66 ILE 22.316 0.455 19 0 "[ . 1 . 2]"
1 67 HIS 5.478 0.455 19 0 "[ . 1 . 2]"
1 68 TYR 8.059 0.144 14 0 "[ . 1 . 2]"
1 69 ASN 0.144 0.099 20 0 "[ . 1 . 2]"
1 70 GLY 0.266 0.099 20 0 "[ . 1 . 2]"
1 71 CYS 0.686 0.093 2 0 "[ . 1 . 2]"
1 72 SER 0.269 0.093 2 0 "[ . 1 . 2]"
1 73 GLU 4.367 0.139 4 0 "[ . 1 . 2]"
1 74 ALA 8.741 0.686 20 4 "[ . * 1 * - +]"
1 75 ASN 5.517 0.686 20 4 "[ . * 1 * - +]"
1 76 VAL 5.451 0.099 3 0 "[ . 1 . 2]"
1 77 THR 2.706 0.106 16 0 "[ . 1 . 2]"
1 78 LYS 4.170 0.106 16 0 "[ . 1 . 2]"
1 79 GLU 3.292 0.314 16 0 "[ . 1 . 2]"
1 80 ALA 1.498 0.104 12 0 "[ . 1 . 2]"
1 81 PHE 5.711 0.113 14 0 "[ . 1 . 2]"
1 82 VAL 3.466 0.105 1 0 "[ . 1 . 2]"
1 83 THR 4.439 0.114 4 0 "[ . 1 . 2]"
1 84 GLY 0.660 0.072 11 0 "[ . 1 . 2]"
1 85 CYS 2.063 0.114 4 0 "[ . 1 . 2]"
1 86 ILE 10.346 0.147 13 0 "[ . 1 . 2]"
1 87 ASN 8.048 0.119 5 0 "[ . 1 . 2]"
1 88 ALA 6.136 0.117 14 0 "[ . 1 . 2]"
1 89 THR 8.033 0.147 13 0 "[ . 1 . 2]"
1 90 GLN 8.122 0.118 10 0 "[ . 1 . 2]"
1 91 ALA 5.203 0.118 10 0 "[ . 1 . 2]"
1 92 ALA 7.678 0.117 18 0 "[ . 1 . 2]"
1 93 ASN 3.685 0.646 18 2 "[ . -1 . + 2]"
1 94 GLN 6.387 0.646 18 2 "[ . -1 . + 2]"
1 95 GLY 1.094 0.087 19 0 "[ . 1 . 2]"
1 96 GLU 7.721 0.572 15 2 "[ . 1 +- 2]"
1 97 PHE 5.987 0.315 7 0 "[ . 1 . 2]"
1 98 GLN 5.663 0.610 18 2 "[ . 1- . + 2]"
1 99 LYS 4.792 0.395 7 0 "[ . 1 . 2]"
1 100 PRO 3.031 0.395 7 0 "[ . 1 . 2]"
1 101 ASP 3.146 0.383 7 0 "[ . 1 . 2]"
1 102 ASN 1.973 0.104 10 0 "[ . 1 . 2]"
1 103 LYS 8.647 0.299 10 0 "[ . 1 . 2]"
1 104 LEU 4.663 0.120 6 0 "[ . 1 . 2]"
1 105 HIS 2.718 0.090 12 0 "[ . 1 . 2]"
1 106 GLN 7.057 0.425 11 0 "[ . 1 . 2]"
1 107 GLN 6.875 0.285 3 0 "[ . 1 . 2]"
1 108 VAL 1.287 0.165 12 0 "[ . 1 . 2]"
1 109 LEU 3.884 0.110 11 0 "[ . 1 . 2]"
1 110 TRP 2.840 0.095 15 0 "[ . 1 . 2]"
1 111 ARG 4.716 0.685 12 1 "[ . 1 + . 2]"
1 112 LEU 5.710 0.575 6 1 "[ .+ 1 . 2]"
1 113 VAL 4.002 0.182 10 0 "[ . 1 . 2]"
1 114 GLN 1.871 0.117 8 0 "[ . 1 . 2]"
1 115 GLU 4.803 0.108 10 0 "[ . 1 . 2]"
1 116 LEU 4.660 0.628 1 6 "[+** * *1 . - 2]"
1 117 CYS 0.232 0.055 6 0 "[ . 1 . 2]"
1 118 SER 1.571 0.092 13 0 "[ . 1 . 2]"
1 119 LEU 1.825 0.092 13 0 "[ . 1 . 2]"
1 121 HIS 2.870 0.502 9 1 "[ . +1 . 2]"
1 123 GLU 6.156 0.567 8 1 "[ . + 1 . 2]"
1 124 PHE 2.184 0.578 5 2 "[ + - 1 . 2]"
1 125 TRP 8.537 0.502 9 1 "[ . +1 . 2]"
1 126 LEU 3.389 0.578 5 2 "[ + - 1 . 2]"
1 127 GLU 1.514 0.103 13 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 29 ALA H 1 29 ALA MB . . 2.960 2.398 2.112 2.912 . 0 0 "[ . 1 . 2]" 1
2 1 29 ALA H 1 30 GLU H . . 3.560 2.699 1.948 3.632 0.072 6 0 "[ . 1 . 2]" 1
3 1 29 ALA HA 1 30 GLU H . . 3.600 3.449 3.243 3.608 0.008 8 0 "[ . 1 . 2]" 1
4 1 29 ALA HA 1 31 ASN H . . 5.130 3.756 2.798 5.090 . 0 0 "[ . 1 . 2]" 1
5 1 29 ALA HA 1 32 ARG QD . . 4.330 3.627 2.010 4.424 0.094 20 0 "[ . 1 . 2]" 1
6 1 29 ALA MB 1 30 GLU H . . 3.700 2.856 2.324 3.461 . 0 0 "[ . 1 . 2]" 1
7 1 29 ALA MB 1 30 GLU HA . . 4.410 4.011 3.582 4.396 . 0 0 "[ . 1 . 2]" 1
8 1 29 ALA MB 1 30 GLU QG . . 3.950 3.562 2.713 4.056 0.106 20 0 "[ . 1 . 2]" 1
9 1 29 ALA MB 1 31 ASN H . . 4.400 4.373 4.100 4.489 0.089 18 0 "[ . 1 . 2]" 1
10 1 29 ALA MB 1 32 ARG H . . 5.400 4.693 3.949 5.486 0.086 8 0 "[ . 1 . 2]" 1
11 1 29 ALA MB 1 32 ARG QD . . 4.000 3.315 2.463 4.126 0.126 19 0 "[ . 1 . 2]" 1
12 1 30 GLU H 1 30 GLU HB3 . . 4.070 3.290 2.487 3.696 . 0 0 "[ . 1 . 2]" 1
13 1 30 GLU H 1 30 GLU QG . . 3.540 2.005 1.670 2.466 . 0 0 "[ . 1 . 2]" 1
14 1 30 GLU H 1 31 ASN H . . 3.300 2.587 2.243 2.910 . 0 0 "[ . 1 . 2]" 1
15 1 30 GLU HA 1 30 GLU HB2 . . 3.000 2.850 2.387 3.061 0.061 19 0 "[ . 1 . 2]" 1
16 1 30 GLU HA 1 30 GLU QG . . 3.450 2.880 2.223 3.468 0.018 14 0 "[ . 1 . 2]" 1
17 1 30 GLU HA 1 31 ASN H . . 3.460 3.432 3.184 3.542 0.082 17 0 "[ . 1 . 2]" 1
18 1 30 GLU HA 1 32 ARG H . . 5.500 3.359 3.008 3.704 . 0 0 "[ . 1 . 2]" 1
19 1 30 GLU HA 1 32 ARG QD . . 5.500 5.084 3.528 5.605 0.105 19 0 "[ . 1 . 2]" 1
20 1 30 GLU HA 1 35 ALA MB . . 3.770 2.063 1.896 2.348 . 0 0 "[ . 1 . 2]" 1
21 1 30 GLU HB2 1 30 GLU QG . . 2.770 2.291 2.161 2.510 . 0 0 "[ . 1 . 2]" 1
22 1 30 GLU HB2 1 31 ASN H . . 3.990 3.447 2.745 4.083 0.093 4 0 "[ . 1 . 2]" 1
23 1 30 GLU HB2 1 31 ASN HA . . 5.500 4.586 4.230 4.955 . 0 0 "[ . 1 . 2]" 1
24 1 30 GLU HB3 1 30 GLU QG . . 2.650 2.417 2.129 2.557 . 0 0 "[ . 1 . 2]" 1
25 1 30 GLU HB3 1 31 ASN H . . 4.610 4.202 3.881 4.439 . 0 0 "[ . 1 . 2]" 1
26 1 30 GLU HB3 1 35 ALA MB . . 4.030 3.559 2.572 4.133 0.103 17 0 "[ . 1 . 2]" 1
27 1 30 GLU QG 1 31 ASN H . . 4.210 3.613 2.117 4.297 0.087 16 0 "[ . 1 . 2]" 1
28 1 30 GLU QG 1 35 ALA MB . . 4.380 3.965 2.905 4.526 0.146 6 0 "[ . 1 . 2]" 1
29 1 31 ASN H 1 31 ASN HB2 . . 3.490 2.607 2.045 3.711 0.221 4 0 "[ . 1 . 2]" 1
30 1 31 ASN H 1 31 ASN HB3 . . 3.810 2.918 2.273 3.567 . 0 0 "[ . 1 . 2]" 1
31 1 31 ASN H 1 32 ARG H . . 3.170 2.807 2.302 3.225 0.055 1 0 "[ . 1 . 2]" 1
32 1 31 ASN H 1 35 ALA MB . . 5.500 4.149 3.903 4.375 . 0 0 "[ . 1 . 2]" 1
33 1 31 ASN HA 1 32 ARG H . . 3.610 3.291 2.704 3.555 . 0 0 "[ . 1 . 2]" 1
34 1 31 ASN HA 1 35 ALA MB . . 5.220 4.481 3.811 5.234 0.014 6 0 "[ . 1 . 2]" 1
35 1 31 ASN HB2 1 32 ARG H . . 4.970 4.082 3.544 4.582 . 0 0 "[ . 1 . 2]" 1
36 1 31 ASN HB3 1 31 ASN HD21 . . 3.400 2.975 2.221 3.636 0.236 13 0 "[ . 1 . 2]" 1
37 1 31 ASN HB3 1 32 ARG H . . 5.500 3.901 2.985 4.502 . 0 0 "[ . 1 . 2]" 1
38 1 31 ASN HB3 1 35 ALA MB . . 5.500 5.667 5.537 5.978 0.478 13 0 "[ . 1 . 2]" 1
39 1 32 ARG H 1 32 ARG HB2 . . 3.720 2.231 1.976 3.347 . 0 0 "[ . 1 . 2]" 1
40 1 32 ARG H 1 32 ARG HB3 . . 3.490 3.472 3.359 3.605 0.115 4 0 "[ . 1 . 2]" 1
41 1 32 ARG H 1 32 ARG QD . . 5.070 3.946 3.439 4.457 . 0 0 "[ . 1 . 2]" 1
42 1 32 ARG H 1 32 ARG HG2 . . 4.030 3.866 2.184 4.154 0.124 1 0 "[ . 1 . 2]" 1
43 1 32 ARG H 1 32 ARG HG3 . . 4.080 2.844 2.255 3.246 . 0 0 "[ . 1 . 2]" 1
44 1 32 ARG H 1 35 ALA MB . . 3.930 2.595 2.138 3.151 . 0 0 "[ . 1 . 2]" 1
45 1 32 ARG H 1 92 ALA MB . . 5.500 5.349 4.806 5.599 0.099 15 0 "[ . 1 . 2]" 1
46 1 32 ARG HA 1 32 ARG QD . . 4.850 4.063 3.934 4.168 . 0 0 "[ . 1 . 2]" 1
47 1 32 ARG HA 1 32 ARG HG2 . . 4.010 2.506 2.226 3.343 . 0 0 "[ . 1 . 2]" 1
48 1 32 ARG HA 1 32 ARG HG3 . . 3.620 2.836 2.386 3.803 0.183 19 0 "[ . 1 . 2]" 1
49 1 32 ARG HA 1 33 PRO HB2 . . 5.500 5.584 5.439 5.699 0.199 19 0 "[ . 1 . 2]" 1
50 1 32 ARG HA 1 33 PRO HD2 . . 2.960 2.556 2.400 2.774 . 0 0 "[ . 1 . 2]" 1
51 1 32 ARG HA 1 33 PRO HD3 . . 3.020 2.102 1.968 2.252 . 0 0 "[ . 1 . 2]" 1
52 1 32 ARG HA 1 33 PRO HG2 . . 4.930 4.589 4.455 4.704 . 0 0 "[ . 1 . 2]" 1
53 1 32 ARG HA 1 33 PRO HG3 . . 4.420 4.404 4.277 4.495 0.075 19 0 "[ . 1 . 2]" 1
54 1 32 ARG HB2 1 32 ARG QD . . 3.400 2.442 2.227 3.000 . 0 0 "[ . 1 . 2]" 1
55 1 32 ARG HB2 1 32 ARG HE . . 5.390 4.101 2.110 4.764 . 0 0 "[ . 1 . 2]" 1
56 1 32 ARG HB2 1 32 ARG HG3 . . 3.000 2.430 2.230 2.623 . 0 0 "[ . 1 . 2]" 1
57 1 32 ARG HB2 1 33 PRO HD2 . . 4.360 3.839 2.186 4.258 . 0 0 "[ . 1 . 2]" 1
58 1 32 ARG HB2 1 33 PRO HD3 . . 4.580 4.582 3.571 4.674 0.094 6 0 "[ . 1 . 2]" 1
59 1 32 ARG HB2 1 35 ALA H . . 5.020 3.138 2.769 3.391 . 0 0 "[ . 1 . 2]" 1
60 1 32 ARG HB2 1 35 ALA MB . . 3.480 2.016 1.909 2.275 . 0 0 "[ . 1 . 2]" 1
61 1 32 ARG HB3 1 32 ARG QD . . 3.260 2.460 2.183 2.832 . 0 0 "[ . 1 . 2]" 1
62 1 32 ARG HB3 1 32 ARG HE . . 4.620 3.751 2.556 4.694 0.074 16 0 "[ . 1 . 2]" 1
63 1 32 ARG HB3 1 32 ARG HG2 . . 2.560 2.508 2.288 2.641 0.081 13 0 "[ . 1 . 2]" 1
64 1 32 ARG HB3 1 33 PRO HD2 . . 3.750 2.468 2.155 2.979 . 0 0 "[ . 1 . 2]" 1
65 1 32 ARG HB3 1 33 PRO HD3 . . 4.400 3.635 3.159 3.960 . 0 0 "[ . 1 . 2]" 1
66 1 32 ARG HB3 1 35 ALA H . . 4.620 3.150 2.762 4.735 0.115 19 0 "[ . 1 . 2]" 1
67 1 32 ARG HB3 1 35 ALA MB . . 2.890 3.116 2.983 3.597 0.707 19 4 "[* -. 1 * . +2]" 1
68 1 32 ARG QD 1 33 PRO HD2 . . 4.940 4.109 3.381 4.640 . 0 0 "[ . 1 . 2]" 1
69 1 32 ARG QD 1 35 ALA H . . 4.680 4.553 4.128 4.768 0.088 8 0 "[ . 1 . 2]" 1
70 1 32 ARG QD 1 35 ALA MB . . 3.700 3.368 2.442 3.789 0.089 3 0 "[ . 1 . 2]" 1
71 1 32 ARG QD 1 92 ALA HA . . 4.280 2.867 2.024 4.048 . 0 0 "[ . 1 . 2]" 1
72 1 32 ARG QD 1 92 ALA MB . . 4.010 2.733 2.090 3.634 . 0 0 "[ . 1 . 2]" 1
73 1 32 ARG HE 1 92 ALA HA . . 4.800 3.563 1.993 4.876 0.076 2 0 "[ . 1 . 2]" 1
74 1 32 ARG HE 1 92 ALA MB . . 4.530 3.904 2.441 4.639 0.109 18 0 "[ . 1 . 2]" 1
75 1 32 ARG HG2 1 33 PRO HD2 . . 4.270 2.954 2.218 4.541 0.271 19 0 "[ . 1 . 2]" 1
76 1 32 ARG HG3 1 33 PRO HD2 . . 4.960 4.209 3.650 4.473 . 0 0 "[ . 1 . 2]" 1
77 1 32 ARG HG3 1 35 ALA H . . 5.420 5.402 4.041 5.673 0.253 4 0 "[ . 1 . 2]" 1
78 1 33 PRO HA 1 34 GLY H . . 3.150 2.566 2.113 3.247 0.097 19 0 "[ . 1 . 2]" 1
79 1 33 PRO HA 1 35 ALA H . . 4.530 4.126 3.690 4.614 0.084 12 0 "[ . 1 . 2]" 1
80 1 33 PRO HA 1 68 TYR QD . . 4.090 2.811 2.287 3.315 . 0 0 "[ . 1 . 2]" 1
81 1 33 PRO HA 1 68 TYR QE . . 4.840 4.731 4.043 4.935 0.095 16 0 "[ . 1 . 2]" 1
82 1 33 PRO HB2 1 34 GLY H . . 4.300 3.986 2.079 4.364 0.064 1 0 "[ . 1 . 2]" 1
83 1 33 PRO HB2 1 68 TYR QD . . 4.810 2.400 2.226 2.652 . 0 0 "[ . 1 . 2]" 1
84 1 33 PRO HB2 1 68 TYR QE . . 4.600 2.826 2.222 3.116 . 0 0 "[ . 1 . 2]" 1
85 1 33 PRO HB2 1 88 ALA MB . . 4.230 2.450 2.086 2.848 . 0 0 "[ . 1 . 2]" 1
86 1 33 PRO HB3 1 34 GLY H . . 4.680 4.346 3.351 4.719 0.039 1 0 "[ . 1 . 2]" 1
87 1 33 PRO HB3 1 68 TYR QD . . 4.230 3.085 2.765 3.615 . 0 0 "[ . 1 . 2]" 1
88 1 33 PRO HB3 1 68 TYR QE . . 4.390 3.817 3.003 4.245 . 0 0 "[ . 1 . 2]" 1
89 1 33 PRO HB3 1 88 ALA MB . . 5.060 3.915 3.516 4.245 . 0 0 "[ . 1 . 2]" 1
90 1 33 PRO HG2 1 68 TYR QD . . 4.700 4.596 4.224 4.790 0.090 3 0 "[ . 1 . 2]" 1
91 1 33 PRO HG2 1 68 TYR QE . . 5.120 4.775 4.079 5.174 0.054 13 0 "[ . 1 . 2]" 1
92 1 33 PRO HG2 1 88 ALA MB . . 5.500 2.757 2.137 4.221 . 0 0 "[ . 1 . 2]" 1
93 1 33 PRO HG3 1 68 TYR QD . . 4.840 4.912 4.877 4.934 0.094 14 0 "[ . 1 . 2]" 1
94 1 33 PRO HG3 1 68 TYR QE . . 5.170 5.021 4.609 5.248 0.078 9 0 "[ . 1 . 2]" 1
95 1 34 GLY H 1 35 ALA H . . 4.330 2.482 1.652 3.670 . 0 0 "[ . 1 . 2]" 1
96 1 34 GLY H 1 35 ALA MB . . 5.020 3.876 3.224 4.583 . 0 0 "[ . 1 . 2]" 1
97 1 34 GLY H 1 66 ILE MG . . 4.420 3.492 2.518 4.510 0.090 19 0 "[ . 1 . 2]" 1
98 1 34 GLY H 1 68 TYR HA . . 4.150 3.650 2.117 4.231 0.081 8 0 "[ . 1 . 2]" 1
99 1 34 GLY H 1 68 TYR QD . . 5.500 3.681 2.656 5.057 . 0 0 "[ . 1 . 2]" 1
100 1 34 GLY HA2 1 66 ILE HA . . 4.660 4.688 4.233 4.740 0.080 10 0 "[ . 1 . 2]" 1
101 1 34 GLY HA2 1 66 ILE MG . . 3.800 2.077 1.937 2.361 . 0 0 "[ . 1 . 2]" 1
102 1 34 GLY HA2 1 68 TYR QD . . 5.230 4.188 3.429 4.868 . 0 0 "[ . 1 . 2]" 1
103 1 34 GLY HA2 1 88 ALA MB . . 3.880 3.624 3.122 3.945 0.065 14 0 "[ . 1 . 2]" 1
104 1 34 GLY HA2 1 89 THR H . . 5.260 4.151 3.695 4.467 . 0 0 "[ . 1 . 2]" 1
105 1 34 GLY HA2 1 89 THR HA . . 4.000 3.847 3.229 4.078 0.078 18 0 "[ . 1 . 2]" 1
106 1 34 GLY HA2 1 92 ALA MB . . 4.520 4.244 3.772 4.621 0.101 12 0 "[ . 1 . 2]" 1
107 1 34 GLY HA3 1 66 ILE MG . . 4.320 3.450 3.242 3.798 . 0 0 "[ . 1 . 2]" 1
108 1 34 GLY HA3 1 68 TYR QD . . 5.500 4.512 3.485 5.365 . 0 0 "[ . 1 . 2]" 1
109 1 34 GLY HA3 1 88 ALA MB . . 3.300 2.803 2.242 3.366 0.066 4 0 "[ . 1 . 2]" 1
110 1 34 GLY HA3 1 89 THR HA . . 3.650 2.476 2.167 2.846 . 0 0 "[ . 1 . 2]" 1
111 1 34 GLY HA3 1 89 THR MG . . 4.720 4.274 3.973 4.538 . 0 0 "[ . 1 . 2]" 1
112 1 35 ALA H 1 35 ALA MB . . 3.190 2.175 1.995 2.757 . 0 0 "[ . 1 . 2]" 1
113 1 35 ALA H 1 66 ILE MG . . 4.870 3.923 3.503 4.958 0.088 4 0 "[ . 1 . 2]" 1
114 1 35 ALA H 1 92 ALA MB . . 5.500 3.341 2.065 3.980 . 0 0 "[ . 1 . 2]" 1
115 1 35 ALA HA 1 36 PHE H . . 3.320 2.359 2.158 3.090 . 0 0 "[ . 1 . 2]" 1
116 1 35 ALA HA 1 36 PHE QD . . 5.050 4.353 3.945 4.992 . 0 0 "[ . 1 . 2]" 1
117 1 35 ALA HA 1 92 ALA MB . . 3.570 2.322 2.019 2.620 . 0 0 "[ . 1 . 2]" 1
118 1 35 ALA HA 1 93 ASN QD . . 4.400 3.712 2.871 4.215 . 0 0 "[ . 1 . 2]" 1
119 1 35 ALA MB 1 36 PHE H . . 3.930 2.753 1.974 3.043 . 0 0 "[ . 1 . 2]" 1
120 1 35 ALA MB 1 36 PHE HA . . 5.380 4.339 4.044 4.511 . 0 0 "[ . 1 . 2]" 1
121 1 35 ALA MB 1 36 PHE QD . . 4.840 4.924 4.840 4.970 0.130 8 0 "[ . 1 . 2]" 1
122 1 35 ALA MB 1 37 ILE H . . 5.260 4.872 4.579 5.263 0.003 10 0 "[ . 1 . 2]" 1
123 1 35 ALA MB 1 66 ILE MG . . 5.470 4.386 3.931 4.719 . 0 0 "[ . 1 . 2]" 1
124 1 35 ALA MB 1 67 HIS H . . 5.500 3.872 3.327 4.293 . 0 0 "[ . 1 . 2]" 1
125 1 35 ALA MB 1 67 HIS HB2 . . 3.810 3.152 2.380 3.907 0.097 10 0 "[ . 1 . 2]" 1
126 1 35 ALA MB 1 67 HIS HB3 . . 5.470 4.247 3.728 5.019 . 0 0 "[ . 1 . 2]" 1
127 1 35 ALA MB 1 67 HIS HD2 . . 4.350 4.308 1.993 4.445 0.095 8 0 "[ . 1 . 2]" 1
128 1 35 ALA MB 1 92 ALA MB . . 3.550 3.346 2.954 3.636 0.086 6 0 "[ . 1 . 2]" 1
129 1 35 ALA MB 1 93 ASN QD . . 5.500 4.924 4.334 5.371 . 0 0 "[ . 1 . 2]" 1
130 1 36 PHE H 1 36 PHE HB3 . . 4.150 3.508 3.405 3.749 . 0 0 "[ . 1 . 2]" 1
131 1 36 PHE H 1 36 PHE QD . . 5.500 3.473 3.228 4.222 . 0 0 "[ . 1 . 2]" 1
132 1 36 PHE H 1 92 ALA MB . . 5.500 3.818 3.512 4.541 . 0 0 "[ . 1 . 2]" 1
133 1 36 PHE H 1 93 ASN QD . . 5.150 3.614 3.057 4.733 . 0 0 "[ . 1 . 2]" 1
134 1 36 PHE HA 1 36 PHE QD . . 3.120 2.159 2.036 2.293 . 0 0 "[ . 1 . 2]" 1
135 1 36 PHE HA 1 36 PHE QE . . 4.640 4.336 4.246 4.408 . 0 0 "[ . 1 . 2]" 1
136 1 36 PHE HA 1 37 ILE H . . 3.330 2.284 2.183 2.351 . 0 0 "[ . 1 . 2]" 1
137 1 36 PHE HA 1 37 ILE HA . . 5.220 4.516 4.421 4.595 . 0 0 "[ . 1 . 2]" 1
138 1 36 PHE HA 1 37 ILE HG13 . . 4.730 4.262 3.955 4.793 0.063 17 0 "[ . 1 . 2]" 1
139 1 36 PHE HA 1 38 LYS QB . . 5.370 4.787 4.131 5.257 . 0 0 "[ . 1 . 2]" 1
140 1 36 PHE HA 1 63 PRO HA . . 4.570 4.523 4.199 4.655 0.085 13 0 "[ . 1 . 2]" 1
141 1 36 PHE HA 1 66 ILE HA . . 3.700 3.570 3.029 3.790 0.090 13 0 "[ . 1 . 2]" 1
142 1 36 PHE HA 1 66 ILE MG . . 5.270 4.370 3.816 5.185 . 0 0 "[ . 1 . 2]" 1
143 1 36 PHE HA 1 92 ALA MB . . 5.230 5.336 5.319 5.347 0.117 18 0 "[ . 1 . 2]" 1
144 1 36 PHE HA 1 113 VAL QG . . 5.230 4.786 4.518 5.075 . 0 0 "[ . 1 . 2]" 1
145 1 36 PHE HB2 1 37 ILE H . . 4.490 4.553 4.420 4.666 0.176 7 0 "[ . 1 . 2]" 1
146 1 36 PHE HB3 1 37 ILE H . . 5.280 3.645 3.412 3.876 . 0 0 "[ . 1 . 2]" 1
147 1 36 PHE QD 1 37 ILE H . . 4.370 4.233 3.822 4.420 0.050 10 0 "[ . 1 . 2]" 1
148 1 36 PHE QD 1 38 LYS QB . . 5.500 3.900 3.094 4.336 . 0 0 "[ . 1 . 2]" 1
149 1 36 PHE QD 1 38 LYS HE3 . . 5.320 4.908 2.384 5.918 0.598 2 1 "[ + . 1 . 2]" 1
150 1 36 PHE QD 1 38 LYS HG2 . . 4.590 3.619 2.583 4.682 0.092 18 0 "[ . 1 . 2]" 1
151 1 36 PHE QD 1 38 LYS HG3 . . 4.320 3.770 3.119 4.392 0.072 9 0 "[ . 1 . 2]" 1
152 1 36 PHE QD 1 63 PRO HA . . 5.090 4.348 3.831 4.759 . 0 0 "[ . 1 . 2]" 1
153 1 36 PHE QD 1 66 ILE HA . . 4.500 4.411 4.003 4.573 0.073 16 0 "[ . 1 . 2]" 1
154 1 36 PHE QD 1 66 ILE HG13 . . 4.940 4.648 4.097 5.243 0.303 13 0 "[ . 1 . 2]" 1
155 1 36 PHE QD 1 66 ILE MG . . 4.740 4.083 3.494 4.816 0.076 4 0 "[ . 1 . 2]" 1
156 1 36 PHE QD 1 89 THR MG . . 4.250 4.256 3.896 4.359 0.109 1 0 "[ . 1 . 2]" 1
157 1 36 PHE QD 1 96 GLU HG2 . . 5.350 3.944 2.435 4.993 . 0 0 "[ . 1 . 2]" 1
158 1 36 PHE QD 1 96 GLU HG3 . . 5.360 4.546 2.346 5.449 0.089 5 0 "[ . 1 . 2]" 1
159 1 36 PHE QD 1 113 VAL QG . . 3.910 3.554 3.306 3.742 . 0 0 "[ . 1 . 2]" 1
160 1 36 PHE QE 1 89 THR HB . . 4.000 3.941 3.651 4.083 0.083 13 0 "[ . 1 . 2]" 1
161 1 36 PHE QE 1 89 THR MG . . 3.200 2.775 2.474 3.106 . 0 0 "[ . 1 . 2]" 1
162 1 36 PHE QE 1 96 GLU QB . . 4.970 3.930 2.608 4.866 . 0 0 "[ . 1 . 2]" 1
163 1 36 PHE QE 1 96 GLU HG2 . . 5.320 3.096 2.276 3.992 . 0 0 "[ . 1 . 2]" 1
164 1 36 PHE QE 1 96 GLU HG3 . . 5.350 3.642 2.209 4.533 . 0 0 "[ . 1 . 2]" 1
165 1 36 PHE QE 1 109 LEU HB3 . . 5.220 5.241 4.647 5.330 0.110 11 0 "[ . 1 . 2]" 1
166 1 36 PHE QE 1 109 LEU QD . . 3.510 2.095 1.948 2.556 . 0 0 "[ . 1 . 2]" 1
167 1 36 PHE QE 1 113 VAL HB . . 5.500 3.761 2.954 4.578 . 0 0 "[ . 1 . 2]" 1
168 1 36 PHE QE 1 113 VAL QG . . 3.320 2.120 1.997 2.302 . 0 0 "[ . 1 . 2]" 1
169 1 36 PHE HZ 1 89 THR MG . . 4.210 3.707 3.397 4.287 0.077 13 0 "[ . 1 . 2]" 1
170 1 36 PHE HZ 1 109 LEU QD . . 3.300 2.060 1.950 2.174 . 0 0 "[ . 1 . 2]" 1
171 1 36 PHE HZ 1 109 LEU HG . . 4.820 3.625 2.640 4.900 0.080 16 0 "[ . 1 . 2]" 1
172 1 36 PHE HZ 1 113 VAL QG . . 3.050 2.716 2.273 2.978 . 0 0 "[ . 1 . 2]" 1
173 1 37 ILE H 1 37 ILE HB . . 3.630 2.361 2.131 2.494 . 0 0 "[ . 1 . 2]" 1
174 1 37 ILE H 1 37 ILE MD . . 4.640 3.772 3.561 4.274 . 0 0 "[ . 1 . 2]" 1
175 1 37 ILE H 1 37 ILE HG13 . . 3.420 2.436 2.184 3.155 . 0 0 "[ . 1 . 2]" 1
176 1 37 ILE H 1 37 ILE MG . . 4.000 3.748 3.537 3.820 . 0 0 "[ . 1 . 2]" 1
177 1 37 ILE H 1 38 LYS H . . 4.350 2.755 2.543 3.016 . 0 0 "[ . 1 . 2]" 1
178 1 37 ILE H 1 63 PRO HA . . 5.500 4.063 3.674 4.522 . 0 0 "[ . 1 . 2]" 1
179 1 37 ILE H 1 65 GLY H . . 4.190 3.351 2.978 4.058 . 0 0 "[ . 1 . 2]" 1
180 1 37 ILE H 1 66 ILE HA . . 4.680 3.360 2.984 4.013 . 0 0 "[ . 1 . 2]" 1
181 1 37 ILE HA 1 37 ILE MD . . 4.090 3.799 3.686 3.890 . 0 0 "[ . 1 . 2]" 1
182 1 37 ILE HA 1 37 ILE HG12 . . 3.930 2.386 2.160 2.569 . 0 0 "[ . 1 . 2]" 1
183 1 37 ILE HA 1 37 ILE HG13 . . 4.050 2.902 2.692 3.059 . 0 0 "[ . 1 . 2]" 1
184 1 37 ILE HA 1 37 ILE MG . . 3.300 2.587 2.448 2.930 . 0 0 "[ . 1 . 2]" 1
185 1 37 ILE HA 1 38 LYS H . . 3.600 3.522 3.396 3.600 . 3 0 "[ . 1 . 2]" 1
186 1 37 ILE HB 1 37 ILE MD . . 3.380 2.493 2.361 2.698 . 0 0 "[ . 1 . 2]" 1
187 1 37 ILE HB 1 65 GLY H . . 4.160 2.105 1.687 3.423 . 0 0 "[ . 1 . 2]" 1
188 1 37 ILE HB 1 65 GLY HA2 . . 4.600 4.406 3.943 4.665 0.065 9 0 "[ . 1 . 2]" 1
189 1 37 ILE HB 1 65 GLY HA3 . . 3.790 3.454 2.780 3.869 0.079 13 0 "[ . 1 . 2]" 1
190 1 37 ILE HB 1 66 ILE HA . . 4.610 4.563 4.240 4.688 0.078 17 0 "[ . 1 . 2]" 1
191 1 37 ILE MD 1 37 ILE MG . . 2.880 2.079 1.987 2.124 . 0 0 "[ . 1 . 2]" 1
192 1 37 ILE MD 1 65 GLY HA2 . . 4.480 3.620 3.438 3.748 . 0 0 "[ . 1 . 2]" 1
193 1 37 ILE MD 1 65 GLY HA3 . . 4.050 2.137 1.980 2.309 . 0 0 "[ . 1 . 2]" 1
194 1 37 ILE MD 1 66 ILE H . . 4.320 3.512 2.970 4.404 0.084 17 0 "[ . 1 . 2]" 1
195 1 37 ILE MD 1 67 HIS HE1 . . 5.500 4.030 3.652 4.520 . 0 0 "[ . 1 . 2]" 1
196 1 37 ILE HG12 1 67 HIS HE1 . . 5.500 2.686 2.232 3.152 . 0 0 "[ . 1 . 2]" 1
197 1 37 ILE HG13 1 37 ILE MG . . 3.550 3.228 3.180 3.251 . 0 0 "[ . 1 . 2]" 1
198 1 37 ILE HG13 1 65 GLY HA3 . . 5.500 3.924 3.316 4.287 . 0 0 "[ . 1 . 2]" 1
199 1 37 ILE HG13 1 67 HIS HE1 . . 4.960 2.767 2.244 3.294 . 0 0 "[ . 1 . 2]" 1
200 1 37 ILE MG 1 38 LYS H . . 3.600 3.187 2.375 3.691 0.091 7 0 "[ . 1 . 2]" 1
201 1 37 ILE MG 1 38 LYS HA . . 4.220 4.017 3.251 4.329 0.109 20 0 "[ . 1 . 2]" 1
202 1 37 ILE MG 1 39 GLN HE21 . . 4.920 2.747 2.142 3.523 . 0 0 "[ . 1 . 2]" 1
203 1 37 ILE MG 1 39 GLN HE22 . . 4.500 3.928 3.332 4.692 0.192 3 0 "[ . 1 . 2]" 1
204 1 37 ILE MG 1 39 GLN HG2 . . 3.400 2.508 2.074 3.064 . 0 0 "[ . 1 . 2]" 1
205 1 37 ILE MG 1 39 GLN HG3 . . 3.440 2.255 1.968 3.347 . 0 0 "[ . 1 . 2]" 1
206 1 37 ILE MG 1 65 GLY H . . 4.930 3.327 2.830 4.605 . 0 0 "[ . 1 . 2]" 1
207 1 37 ILE MG 1 65 GLY HA3 . . 5.500 3.913 3.066 4.349 . 0 0 "[ . 1 . 2]" 1
208 1 37 ILE MG 1 67 HIS HE1 . . 5.500 4.186 3.710 4.591 . 0 0 "[ . 1 . 2]" 1
209 1 38 LYS H 1 38 LYS HD2 . . 4.670 4.667 3.989 5.637 0.967 18 4 "[* . 1 -. + *]" 1
210 1 38 LYS H 1 38 LYS HG3 . . 4.470 3.597 2.577 4.544 0.074 3 0 "[ . 1 . 2]" 1
211 1 38 LYS HA 1 38 LYS HD2 . . 4.710 3.834 2.597 4.528 . 0 0 "[ . 1 . 2]" 1
212 1 38 LYS HA 1 38 LYS HD3 . . 4.430 3.933 2.572 4.498 0.068 12 0 "[ . 1 . 2]" 1
213 1 38 LYS HA 1 38 LYS HG3 . . 3.580 3.541 2.253 3.734 0.154 7 0 "[ . 1 . 2]" 1
214 1 38 LYS HA 1 41 ARG QG . . 5.300 5.011 4.601 5.177 . 0 0 "[ . 1 . 2]" 1
215 1 38 LYS HA 1 63 PRO HA . . 2.930 2.220 1.956 2.724 . 0 0 "[ . 1 . 2]" 1
216 1 38 LYS HA 1 64 ASP H . . 4.250 3.096 2.083 3.861 . 0 0 "[ . 1 . 2]" 1
217 1 38 LYS QB 1 63 PRO HA . . 4.140 2.489 1.961 3.361 . 0 0 "[ . 1 . 2]" 1
218 1 38 LYS QB 1 63 PRO HB3 . . 3.860 3.599 3.144 3.850 . 0 0 "[ . 1 . 2]" 1
219 1 38 LYS QB 1 64 ASP H . . 4.700 4.199 3.549 4.577 . 0 0 "[ . 1 . 2]" 1
220 1 38 LYS HD3 1 40 GLY H . . 5.500 4.942 2.731 6.154 0.654 18 1 "[ . 1 . + 2]" 1
221 1 38 LYS HE2 1 38 LYS HG3 . . 4.000 3.384 3.020 3.771 . 0 0 "[ . 1 . 2]" 1
222 1 38 LYS HE3 1 38 LYS HG3 . . 3.770 2.576 2.181 4.046 0.276 18 0 "[ . 1 . 2]" 1
223 1 38 LYS HG2 1 63 PRO HA . . 3.750 3.276 2.280 3.840 0.090 2 0 "[ . 1 . 2]" 1
224 1 38 LYS HG2 1 63 PRO HD3 . . 5.340 4.396 3.357 5.155 . 0 0 "[ . 1 . 2]" 1
225 1 38 LYS HG3 1 63 PRO HA . . 4.290 3.541 2.174 4.135 . 0 0 "[ . 1 . 2]" 1
226 1 39 GLN H 1 40 GLY H . . 4.800 2.895 2.195 4.557 . 0 0 "[ . 1 . 2]" 1
227 1 39 GLN HA 1 39 GLN HG2 . . 3.510 2.539 2.281 3.161 . 0 0 "[ . 1 . 2]" 1
228 1 39 GLN HA 1 39 GLN HG3 . . 3.490 3.434 3.199 3.606 0.116 9 0 "[ . 1 . 2]" 1
229 1 39 GLN HB2 1 40 GLY H . . 4.430 3.389 2.072 4.073 . 0 0 "[ . 1 . 2]" 1
230 1 39 GLN HB2 1 41 ARG HE . . 4.740 3.619 2.584 4.833 0.093 18 0 "[ . 1 . 2]" 1
231 1 39 GLN HB2 1 41 ARG QG . . 3.740 2.510 2.076 2.942 . 0 0 "[ . 1 . 2]" 1
232 1 39 GLN HB3 1 40 GLY H . . 4.360 4.045 2.057 4.425 0.065 18 0 "[ . 1 . 2]" 1
233 1 39 GLN HB3 1 41 ARG HE . . 5.340 4.430 2.821 5.401 0.061 8 0 "[ . 1 . 2]" 1
234 1 39 GLN HB3 1 41 ARG QG . . 4.420 3.658 2.543 4.402 . 0 0 "[ . 1 . 2]" 1
235 1 39 GLN HE22 1 39 GLN HG2 . . 3.680 3.761 3.490 4.026 0.346 14 0 "[ . 1 . 2]" 1
236 1 39 GLN HG3 1 41 ARG QG . . 4.610 4.284 3.728 4.672 0.062 9 0 "[ . 1 . 2]" 1
237 1 40 GLY H 1 41 ARG H . . 4.090 2.770 2.237 3.921 . 0 0 "[ . 1 . 2]" 1
238 1 40 GLY H 1 41 ARG QG . . 4.730 3.438 2.869 3.976 . 0 0 "[ . 1 . 2]" 1
239 1 41 ARG H 1 41 ARG HB3 . . 3.870 3.400 2.767 3.938 0.068 8 0 "[ . 1 . 2]" 1
240 1 41 ARG H 1 41 ARG HE . . 5.470 4.639 1.803 5.529 0.059 6 0 "[ . 1 . 2]" 1
241 1 41 ARG H 1 41 ARG QG . . 3.650 2.186 1.794 2.617 . 0 0 "[ . 1 . 2]" 1
242 1 41 ARG HA 1 41 ARG HB2 . . 2.840 2.604 2.417 2.929 0.089 12 0 "[ . 1 . 2]" 1
243 1 41 ARG HA 1 41 ARG HB3 . . 2.830 2.293 2.206 2.445 . 0 0 "[ . 1 . 2]" 1
244 1 41 ARG HA 1 41 ARG HD3 . . 4.870 4.936 4.339 5.515 0.645 4 4 "[ *+* 1 . - 2]" 1
245 1 41 ARG HA 1 41 ARG QG . . 3.550 3.244 2.779 3.431 . 0 0 "[ . 1 . 2]" 1
246 1 41 ARG HA 1 42 LYS H . . 3.110 2.466 2.236 2.734 . 0 0 "[ . 1 . 2]" 1
247 1 41 ARG HA 1 59 TYR QD . . 5.460 3.869 3.222 5.028 . 0 0 "[ . 1 . 2]" 1
248 1 41 ARG HA 1 59 TYR QE . . 4.170 3.969 2.862 4.267 0.097 16 0 "[ . 1 . 2]" 1
249 1 41 ARG HB2 1 41 ARG HD2 . . 4.010 3.389 2.433 3.761 . 0 0 "[ . 1 . 2]" 1
250 1 41 ARG HB2 1 41 ARG HE . . 4.290 3.252 2.122 4.350 0.060 9 0 "[ . 1 . 2]" 1
251 1 41 ARG HB2 1 42 LYS H . . 4.210 2.447 2.074 3.049 . 0 0 "[ . 1 . 2]" 1
252 1 41 ARG HB2 1 43 LEU QD . . 3.990 3.307 2.007 3.985 . 0 0 "[ . 1 . 2]" 1
253 1 41 ARG HB3 1 41 ARG HD2 . . 4.040 3.378 2.322 3.939 . 0 0 "[ . 1 . 2]" 1
254 1 41 ARG HB3 1 41 ARG HE . . 3.860 2.854 1.900 3.947 0.087 7 0 "[ . 1 . 2]" 1
255 1 41 ARG HB3 1 43 LEU QD . . 5.000 4.308 3.414 4.878 . 0 0 "[ . 1 . 2]" 1
256 1 41 ARG HD2 1 43 LEU QD . . 4.670 3.076 2.047 4.443 . 0 0 "[ . 1 . 2]" 1
257 1 41 ARG HD3 1 43 LEU QD . . 4.710 2.884 2.160 4.526 . 0 0 "[ . 1 . 2]" 1
258 1 41 ARG HE 1 41 ARG QG . . 3.920 2.518 2.054 3.227 . 0 0 "[ . 1 . 2]" 1
259 1 41 ARG HE 1 43 LEU QD . . 5.210 3.879 2.205 4.865 . 0 0 "[ . 1 . 2]" 1
260 1 41 ARG QG 1 42 LYS H . . 4.850 3.928 3.307 4.456 . 0 0 "[ . 1 . 2]" 1
261 1 41 ARG QG 1 43 LEU QD . . 4.770 2.597 1.986 3.923 . 0 0 "[ . 1 . 2]" 1
262 1 42 LYS H 1 42 LYS HB2 . . 3.380 2.790 2.404 3.144 . 0 0 "[ . 1 . 2]" 1
263 1 42 LYS H 1 42 LYS HB3 . . 3.860 2.913 2.572 3.625 . 0 0 "[ . 1 . 2]" 1
264 1 42 LYS H 1 42 LYS HG2 . . 5.490 4.564 4.096 4.786 . 0 0 "[ . 1 . 2]" 1
265 1 42 LYS H 1 42 LYS HG3 . . 5.500 4.440 2.877 4.702 . 0 0 "[ . 1 . 2]" 1
266 1 42 LYS H 1 43 LEU H . . 4.860 3.730 2.070 4.611 . 0 0 "[ . 1 . 2]" 1
267 1 42 LYS H 1 43 LEU QD . . 5.500 4.108 3.428 4.993 . 0 0 "[ . 1 . 2]" 1
268 1 42 LYS HA 1 42 LYS HD3 . . 5.500 4.471 4.004 4.772 . 0 0 "[ . 1 . 2]" 1
269 1 42 LYS HA 1 43 LEU H . . 3.240 2.514 2.081 3.318 0.078 11 0 "[ . 1 . 2]" 1
270 1 42 LYS HA 1 55 TYR QE . . 3.800 3.125 2.118 3.896 0.096 9 0 "[ . 1 . 2]" 1
271 1 42 LYS HA 1 59 TYR QD . . 3.740 3.098 2.396 3.811 0.071 9 0 "[ . 1 . 2]" 1
272 1 42 LYS HB2 1 42 LYS HD2 . . 3.980 3.542 2.416 3.828 . 0 0 "[ . 1 . 2]" 1
273 1 42 LYS HB2 1 42 LYS HE2 . . 5.420 3.742 2.851 4.252 . 0 0 "[ . 1 . 2]" 1
274 1 42 LYS HB2 1 42 LYS HG3 . . 2.670 2.472 2.320 2.676 0.006 16 0 "[ . 1 . 2]" 1
275 1 42 LYS HB2 1 43 LEU H . . 5.500 4.416 3.731 4.725 . 0 0 "[ . 1 . 2]" 1
276 1 42 LYS HB3 1 42 LYS HD2 . . 3.770 3.216 2.321 4.033 0.263 16 0 "[ . 1 . 2]" 1
277 1 42 LYS HB3 1 42 LYS HD3 . . 4.100 3.565 3.105 3.941 . 0 0 "[ . 1 . 2]" 1
278 1 42 LYS HB3 1 42 LYS HE2 . . 5.370 3.900 2.479 4.850 . 0 0 "[ . 1 . 2]" 1
279 1 42 LYS HB3 1 42 LYS HE3 . . 4.670 2.920 2.014 4.297 . 0 0 "[ . 1 . 2]" 1
280 1 42 LYS HB3 1 59 TYR QD . . 4.680 4.479 4.052 4.792 0.112 1 0 "[ . 1 . 2]" 1
281 1 42 LYS HD2 1 56 GLU HA . . 5.150 3.399 2.018 4.870 . 0 0 "[ . 1 . 2]" 1
282 1 42 LYS HD2 1 59 TYR QD . . 5.500 4.276 2.910 5.124 . 0 0 "[ . 1 . 2]" 1
283 1 42 LYS HD2 1 59 TYR QE . . 5.500 4.863 3.736 5.541 0.041 14 0 "[ . 1 . 2]" 1
284 1 42 LYS HD3 1 56 GLU HA . . 4.400 2.684 2.110 3.640 . 0 0 "[ . 1 . 2]" 1
285 1 42 LYS HD3 1 56 GLU QG . . 4.720 3.717 2.364 5.154 0.434 9 0 "[ . 1 . 2]" 1
286 1 42 LYS HD3 1 59 TYR QD . . 4.730 3.213 2.474 4.052 . 0 0 "[ . 1 . 2]" 1
287 1 42 LYS HD3 1 59 TYR QE . . 4.380 3.709 2.782 4.476 0.096 19 0 "[ . 1 . 2]" 1
288 1 42 LYS HE2 1 42 LYS HG3 . . 4.270 3.624 2.742 4.243 . 0 0 "[ . 1 . 2]" 1
289 1 42 LYS HE2 1 56 GLU HA . . 4.330 3.747 2.897 4.713 0.383 16 0 "[ . 1 . 2]" 1
290 1 42 LYS HE2 1 59 TYR QD . . 4.470 4.135 2.572 5.243 0.773 16 2 "[ . -1 .+ 2]" 1
291 1 42 LYS HE2 1 59 TYR QE . . 4.640 3.684 2.526 5.413 0.773 9 2 "[ . +1 .- 2]" 1
292 1 42 LYS HE3 1 56 GLU HA . . 4.660 4.536 3.532 4.750 0.090 6 0 "[ . 1 . 2]" 1
293 1 42 LYS HE3 1 59 TYR QD . . 5.500 4.254 3.189 5.240 . 0 0 "[ . 1 . 2]" 1
294 1 42 LYS HE3 1 59 TYR QE . . 5.310 3.868 2.209 5.125 . 0 0 "[ . 1 . 2]" 1
295 1 42 LYS HG2 1 55 TYR QE . . 4.090 3.364 2.153 4.214 0.124 8 0 "[ . 1 . 2]" 1
296 1 42 LYS HG2 1 59 TYR QD . . 4.310 4.230 2.991 4.417 0.107 20 0 "[ . 1 . 2]" 1
297 1 42 LYS HG3 1 43 LEU H . . 5.030 4.185 2.672 5.113 0.083 7 0 "[ . 1 . 2]" 1
298 1 42 LYS HG3 1 55 TYR QE . . 4.460 3.637 2.390 4.569 0.109 1 0 "[ . 1 . 2]" 1
299 1 42 LYS HG3 1 59 TYR QD . . 4.560 3.016 2.725 3.193 . 0 0 "[ . 1 . 2]" 1
300 1 43 LEU H 1 43 LEU HB3 . . 3.610 3.710 3.484 4.075 0.465 6 0 "[ . 1 . 2]" 1
301 1 43 LEU H 1 43 LEU QD . . 4.240 2.578 1.794 3.644 . 0 0 "[ . 1 . 2]" 1
302 1 43 LEU H 1 43 LEU HG . . 3.860 3.335 2.328 3.948 0.088 19 0 "[ . 1 . 2]" 1
303 1 43 LEU H 1 44 ASP H . . 4.950 4.372 3.850 4.701 . 0 0 "[ . 1 . 2]" 1
304 1 43 LEU H 1 55 TYR QE . . 4.490 2.920 1.607 4.594 0.104 7 0 "[ . 1 . 2]" 1
305 1 43 LEU HA 1 43 LEU QD . . 3.350 2.417 2.005 3.176 . 0 0 "[ . 1 . 2]" 1
306 1 43 LEU HA 1 44 ASP H . . 3.030 2.647 2.113 3.105 0.075 9 0 "[ . 1 . 2]" 1
307 1 43 LEU HB2 1 44 ASP H . . 3.900 3.048 2.148 4.352 0.452 8 0 "[ . 1 . 2]" 1
308 1 43 LEU HB2 1 45 ILE MD . . 3.980 3.038 2.425 3.843 . 0 0 "[ . 1 . 2]" 1
309 1 43 LEU HB3 1 43 LEU QD . . 3.090 2.173 2.019 2.424 . 0 0 "[ . 1 . 2]" 1
310 1 43 LEU HB3 1 43 LEU HG . . 2.480 2.615 2.229 3.040 0.560 12 5 "[* *.- 1 +* . 2]" 1
311 1 43 LEU HB3 1 44 ASP H . . 4.850 2.141 1.720 3.477 . 0 0 "[ . 1 . 2]" 1
312 1 43 LEU HB3 1 45 ILE MD . . 3.800 3.310 2.240 4.002 0.202 9 0 "[ . 1 . 2]" 1
313 1 43 LEU QD 1 44 ASP H . . 4.140 3.294 2.135 3.625 . 0 0 "[ . 1 . 2]" 1
314 1 43 LEU QD 1 45 ILE H . . 5.500 4.618 3.899 5.239 . 0 0 "[ . 1 . 2]" 1
315 1 43 LEU QD 1 45 ILE MD . . 3.180 2.483 1.995 3.146 . 0 0 "[ . 1 . 2]" 1
316 1 43 LEU QD 1 45 ILE HG12 . . 3.980 3.698 3.256 4.010 0.030 14 0 "[ . 1 . 2]" 1
317 1 43 LEU QD 1 45 ILE HG13 . . 3.710 3.197 2.465 3.684 . 0 0 "[ . 1 . 2]" 1
318 1 43 LEU QD 1 64 ASP HA . . 4.070 2.462 1.997 3.525 . 0 0 "[ . 1 . 2]" 1
319 1 43 LEU HG 1 55 TYR QE . . 4.750 4.670 3.603 4.865 0.115 15 0 "[ . 1 . 2]" 1
320 1 43 LEU HG 1 64 ASP HA . . 5.500 4.301 3.030 5.554 0.054 16 0 "[ . 1 . 2]" 1
321 1 44 ASP H 1 44 ASP HB2 . . 3.540 2.933 2.234 3.618 0.078 1 0 "[ . 1 . 2]" 1
322 1 44 ASP H 1 44 ASP HB3 . . 3.410 3.193 2.703 3.616 0.206 20 0 "[ . 1 . 2]" 1
323 1 44 ASP H 1 45 ILE H . . 4.550 3.213 2.240 3.956 . 0 0 "[ . 1 . 2]" 1
324 1 44 ASP H 1 45 ILE MD . . 5.500 4.404 3.838 5.181 . 0 0 "[ . 1 . 2]" 1
325 1 44 ASP H 1 45 ILE HG13 . . 5.500 3.363 2.574 5.043 . 0 0 "[ . 1 . 2]" 1
326 1 44 ASP HA 1 45 ILE H . . 3.280 2.515 2.175 3.022 . 0 0 "[ . 1 . 2]" 1
327 1 44 ASP HB2 1 45 ILE H . . 5.500 4.557 4.232 4.713 . 0 0 "[ . 1 . 2]" 1
328 1 44 ASP HB3 1 45 ILE H . . 5.210 4.370 4.049 4.620 . 0 0 "[ . 1 . 2]" 1
329 1 45 ILE H 1 45 ILE HB . . 3.420 2.707 2.469 2.942 . 0 0 "[ . 1 . 2]" 1
330 1 45 ILE H 1 45 ILE MD . . 4.670 3.963 3.535 4.336 . 0 0 "[ . 1 . 2]" 1
331 1 45 ILE H 1 45 ILE HG12 . . 3.990 3.380 2.054 4.067 0.077 13 0 "[ . 1 . 2]" 1
332 1 45 ILE H 1 45 ILE HG13 . . 3.940 2.577 1.892 3.247 . 0 0 "[ . 1 . 2]" 1
333 1 45 ILE H 1 45 ILE MG . . 4.180 3.869 3.745 3.987 . 0 0 "[ . 1 . 2]" 1
334 1 45 ILE H 1 46 ASP H . . 5.300 4.399 3.928 4.715 . 0 0 "[ . 1 . 2]" 1
335 1 45 ILE HA 1 45 ILE MD . . 4.520 3.873 2.903 4.068 . 0 0 "[ . 1 . 2]" 1
336 1 45 ILE HA 1 45 ILE HG12 . . 3.540 2.763 2.540 3.068 . 0 0 "[ . 1 . 2]" 1
337 1 45 ILE HA 1 45 ILE HG13 . . 4.100 3.404 3.022 3.978 . 0 0 "[ . 1 . 2]" 1
338 1 45 ILE HA 1 45 ILE MG . . 3.500 2.389 2.279 2.537 . 0 0 "[ . 1 . 2]" 1
339 1 45 ILE HA 1 46 ASP H . . 2.870 2.279 2.177 2.474 . 0 0 "[ . 1 . 2]" 1
340 1 45 ILE HA 1 47 PHE QE . . 5.500 5.071 4.632 5.578 0.078 13 0 "[ . 1 . 2]" 1
341 1 45 ILE HB 1 45 ILE MD . . 3.420 2.573 2.383 3.315 . 0 0 "[ . 1 . 2]" 1
342 1 45 ILE HB 1 46 ASP H . . 5.130 4.043 3.616 4.475 . 0 0 "[ . 1 . 2]" 1
343 1 45 ILE HB 1 47 PHE QD . . 4.020 3.795 3.113 4.095 0.075 7 0 "[ . 1 . 2]" 1
344 1 45 ILE HB 1 47 PHE QE . . 4.030 2.485 2.023 2.912 . 0 0 "[ . 1 . 2]" 1
345 1 45 ILE HB 1 47 PHE HZ . . 4.140 3.112 2.728 4.193 0.053 6 0 "[ . 1 . 2]" 1
346 1 45 ILE MD 1 45 ILE MG . . 2.910 2.061 1.964 2.157 . 0 0 "[ . 1 . 2]" 1
347 1 45 ILE MD 1 47 PHE QD . . 5.200 5.119 4.354 5.299 0.099 12 0 "[ . 1 . 2]" 1
348 1 45 ILE MD 1 47 PHE QE . . 4.170 3.513 2.588 3.972 . 0 0 "[ . 1 . 2]" 1
349 1 45 ILE MD 1 47 PHE HZ . . 3.890 2.952 2.143 3.936 0.046 6 0 "[ . 1 . 2]" 1
350 1 45 ILE MD 1 55 TYR QE . . 4.370 3.783 2.701 4.482 0.112 4 0 "[ . 1 . 2]" 1
351 1 45 ILE MD 1 112 LEU HA . . 3.930 2.980 2.254 3.404 . 0 0 "[ . 1 . 2]" 1
352 1 45 ILE MD 1 112 LEU HB3 . . 4.770 4.675 4.053 5.128 0.358 15 0 "[ . 1 . 2]" 1
353 1 45 ILE MD 1 112 LEU QD . . 3.040 2.356 1.695 2.902 . 0 0 "[ . 1 . 2]" 1
354 1 45 ILE MD 1 112 LEU HG . . 3.640 2.598 1.964 3.787 0.147 11 0 "[ . 1 . 2]" 1
355 1 45 ILE MD 1 115 GLU QB . . 3.440 2.898 2.128 3.444 0.004 15 0 "[ . 1 . 2]" 1
356 1 45 ILE MD 1 115 GLU HG2 . . 3.890 3.723 2.824 3.998 0.108 10 0 "[ . 1 . 2]" 1
357 1 45 ILE MD 1 115 GLU HG3 . . 4.020 4.029 3.292 4.123 0.103 11 0 "[ . 1 . 2]" 1
358 1 45 ILE MD 1 116 LEU HA . . 5.340 4.764 4.096 5.247 . 0 0 "[ . 1 . 2]" 1
359 1 45 ILE HG12 1 45 ILE MG . . 2.920 2.601 2.259 3.057 0.137 15 0 "[ . 1 . 2]" 1
360 1 45 ILE HG12 1 46 ASP H . . 5.500 4.802 4.250 5.188 . 0 0 "[ . 1 . 2]" 1
361 1 45 ILE HG13 1 47 PHE QE . . 5.500 3.990 2.858 4.631 . 0 0 "[ . 1 . 2]" 1
362 1 45 ILE HG13 1 55 TYR QE . . 4.300 3.796 2.309 4.374 0.074 6 0 "[ . 1 . 2]" 1
363 1 45 ILE HG13 1 115 GLU QB . . 5.500 5.495 4.761 5.602 0.102 12 0 "[ . 1 . 2]" 1
364 1 45 ILE MG 1 46 ASP H . . 3.490 2.623 2.128 3.439 . 0 0 "[ . 1 . 2]" 1
365 1 45 ILE MG 1 46 ASP HA . . 5.500 4.352 4.122 4.632 . 0 0 "[ . 1 . 2]" 1
366 1 45 ILE MG 1 47 PHE HA . . 4.810 4.348 3.841 4.895 0.085 17 0 "[ . 1 . 2]" 1
367 1 45 ILE MG 1 47 PHE QD . . 4.280 3.850 3.176 4.398 0.118 17 0 "[ . 1 . 2]" 1
368 1 45 ILE MG 1 47 PHE QE . . 3.780 3.148 2.655 3.583 . 0 0 "[ . 1 . 2]" 1
369 1 45 ILE MG 1 47 PHE HZ . . 4.310 3.050 2.327 3.677 . 0 0 "[ . 1 . 2]" 1
370 1 45 ILE MG 1 55 TYR QE . . 5.500 5.082 3.918 5.596 0.096 18 0 "[ . 1 . 2]" 1
371 1 45 ILE MG 1 111 ARG HD3 . . 5.500 5.347 4.768 5.916 0.416 9 0 "[ . 1 . 2]" 1
372 1 45 ILE MG 1 111 ARG HE . . 4.770 3.454 2.479 4.818 0.048 9 0 "[ . 1 . 2]" 1
373 1 45 ILE MG 1 111 ARG HG2 . . 4.640 4.228 3.700 4.735 0.095 5 0 "[ . 1 . 2]" 1
374 1 45 ILE MG 1 111 ARG HG3 . . 4.670 3.332 2.845 4.111 . 0 0 "[ . 1 . 2]" 1
375 1 45 ILE MG 1 112 LEU HA . . 4.920 2.916 2.513 3.292 . 0 0 "[ . 1 . 2]" 1
376 1 45 ILE MG 1 112 LEU HB2 . . 5.500 4.400 3.742 4.946 . 0 0 "[ . 1 . 2]" 1
377 1 45 ILE MG 1 112 LEU QD . . 4.320 3.501 2.026 4.130 . 0 0 "[ . 1 . 2]" 1
378 1 45 ILE MG 1 115 GLU HA . . 5.500 5.175 4.721 5.566 0.066 7 0 "[ . 1 . 2]" 1
379 1 45 ILE MG 1 115 GLU QB . . 4.430 2.787 2.512 3.059 . 0 0 "[ . 1 . 2]" 1
380 1 45 ILE MG 1 115 GLU HG2 . . 4.580 2.792 2.115 4.292 . 0 0 "[ . 1 . 2]" 1
381 1 45 ILE MG 1 115 GLU HG3 . . 4.230 3.883 3.375 4.319 0.089 12 0 "[ . 1 . 2]" 1
382 1 46 ASP H 1 46 ASP HB2 . . 3.350 2.842 2.278 3.510 0.160 17 0 "[ . 1 . 2]" 1
383 1 46 ASP H 1 46 ASP HB3 . . 3.430 2.583 2.248 3.496 0.066 2 0 "[ . 1 . 2]" 1
384 1 46 ASP H 1 47 PHE H . . 5.290 4.317 3.688 4.616 . 0 0 "[ . 1 . 2]" 1
385 1 46 ASP HA 1 47 PHE H . . 3.460 2.227 2.074 2.443 . 0 0 "[ . 1 . 2]" 1
386 1 46 ASP HA 1 47 PHE QD . . 5.130 4.141 3.125 5.198 0.068 15 0 "[ . 1 . 2]" 1
387 1 46 ASP HA 1 48 GLY H . . 4.840 3.738 3.353 4.284 . 0 0 "[ . 1 . 2]" 1
388 1 47 PHE H 1 47 PHE HB2 . . 3.720 2.452 2.200 2.779 . 0 0 "[ . 1 . 2]" 1
389 1 47 PHE H 1 47 PHE QD . . 3.840 3.009 2.543 3.514 . 0 0 "[ . 1 . 2]" 1
390 1 47 PHE H 1 48 GLY H . . 3.450 2.364 1.768 2.908 . 0 0 "[ . 1 . 2]" 1
391 1 47 PHE H 1 52 ASN H . . 4.820 4.600 4.047 4.900 0.080 18 0 "[ . 1 . 2]" 1
392 1 47 PHE HA 1 47 PHE QD . . 3.350 2.666 2.288 3.159 . 0 0 "[ . 1 . 2]" 1
393 1 47 PHE HA 1 47 PHE QE . . 4.950 4.508 4.225 4.840 . 0 0 "[ . 1 . 2]" 1
394 1 47 PHE HB2 1 48 GLY H . . 4.850 3.285 2.426 4.047 . 0 0 "[ . 1 . 2]" 1
395 1 47 PHE HB2 1 51 GLY H . . 5.500 4.537 3.551 5.425 . 0 0 "[ . 1 . 2]" 1
396 1 47 PHE HB2 1 52 ASN H . . 4.320 2.852 2.512 3.633 . 0 0 "[ . 1 . 2]" 1
397 1 47 PHE HB2 1 52 ASN HA . . 3.640 2.910 2.249 3.589 . 0 0 "[ . 1 . 2]" 1
398 1 47 PHE HB2 1 108 VAL QG . . 4.600 3.820 3.300 4.224 . 0 0 "[ . 1 . 2]" 1
399 1 47 PHE HB3 1 52 ASN H . . 4.780 3.531 2.651 4.537 . 0 0 "[ . 1 . 2]" 1
400 1 47 PHE QD 1 52 ASN HA . . 3.890 2.735 2.129 3.237 . 0 0 "[ . 1 . 2]" 1
401 1 47 PHE QD 1 55 TYR HB2 . . 4.090 3.486 2.767 4.182 0.092 8 0 "[ . 1 . 2]" 1
402 1 47 PHE QD 1 55 TYR HB3 . . 4.410 3.978 3.142 4.477 0.067 1 0 "[ . 1 . 2]" 1
403 1 47 PHE QD 1 108 VAL HA . . 3.640 2.978 2.322 3.687 0.047 15 0 "[ . 1 . 2]" 1
404 1 47 PHE QD 1 108 VAL QG . . 4.110 3.060 2.838 3.305 . 0 0 "[ . 1 . 2]" 1
405 1 47 PHE QD 1 111 ARG HB2 . . 4.190 3.698 3.393 4.269 0.079 6 0 "[ . 1 . 2]" 1
406 1 47 PHE QD 1 111 ARG HB3 . . 3.930 2.585 2.193 3.395 . 0 0 "[ . 1 . 2]" 1
407 1 47 PHE QD 1 111 ARG HG2 . . 3.590 2.393 2.013 2.882 . 0 0 "[ . 1 . 2]" 1
408 1 47 PHE QD 1 111 ARG HG3 . . 3.680 3.040 2.158 3.692 0.012 12 0 "[ . 1 . 2]" 1
409 1 47 PHE QE 1 52 ASN HA . . 5.500 4.564 3.862 5.160 . 0 0 "[ . 1 . 2]" 1
410 1 47 PHE QE 1 55 TYR HB2 . . 5.120 3.655 2.775 4.551 . 0 0 "[ . 1 . 2]" 1
411 1 47 PHE QE 1 55 TYR HB3 . . 4.820 4.221 3.373 4.888 0.068 1 0 "[ . 1 . 2]" 1
412 1 47 PHE QE 1 55 TYR QD . . 5.480 2.849 2.194 3.425 . 0 0 "[ . 1 . 2]" 1
413 1 47 PHE QE 1 55 TYR QE . . 4.960 3.189 2.118 4.042 . 0 0 "[ . 1 . 2]" 1
414 1 47 PHE QE 1 108 VAL HA . . 4.150 3.161 2.663 3.797 . 0 0 "[ . 1 . 2]" 1
415 1 47 PHE QE 1 108 VAL QG . . 4.170 2.791 2.632 2.998 . 0 0 "[ . 1 . 2]" 1
416 1 47 PHE QE 1 111 ARG HA . . 4.840 4.611 4.295 4.898 0.058 15 0 "[ . 1 . 2]" 1
417 1 47 PHE QE 1 111 ARG HB2 . . 4.590 4.086 3.609 4.667 0.077 15 0 "[ . 1 . 2]" 1
418 1 47 PHE QE 1 111 ARG HB3 . . 4.660 2.458 2.023 3.086 . 0 0 "[ . 1 . 2]" 1
419 1 47 PHE QE 1 111 ARG HD2 . . 4.830 4.843 4.426 5.515 0.685 12 1 "[ . 1 + . 2]" 1
420 1 47 PHE QE 1 111 ARG HE . . 4.920 4.746 4.376 5.000 0.080 20 0 "[ . 1 . 2]" 1
421 1 47 PHE QE 1 111 ARG HG2 . . 4.430 3.348 2.676 3.957 . 0 0 "[ . 1 . 2]" 1
422 1 47 PHE QE 1 111 ARG HG3 . . 3.880 2.635 2.245 3.852 . 0 0 "[ . 1 . 2]" 1
423 1 47 PHE QE 1 112 LEU HA . . 4.280 2.980 2.445 3.680 . 0 0 "[ . 1 . 2]" 1
424 1 47 PHE QE 1 112 LEU HB2 . . 4.540 2.528 2.225 3.275 . 0 0 "[ . 1 . 2]" 1
425 1 47 PHE QE 1 112 LEU HB3 . . 4.040 3.982 3.659 4.615 0.575 6 1 "[ .+ 1 . 2]" 1
426 1 47 PHE QE 1 112 LEU QD . . 4.420 2.920 2.144 3.282 . 0 0 "[ . 1 . 2]" 1
427 1 47 PHE QE 1 112 LEU HG . . 4.280 3.952 3.324 4.393 0.113 15 0 "[ . 1 . 2]" 1
428 1 47 PHE HZ 1 55 TYR QD . . 4.260 4.150 3.213 4.364 0.104 4 0 "[ . 1 . 2]" 1
429 1 47 PHE HZ 1 55 TYR QE . . 4.670 3.863 2.457 4.716 0.046 5 0 "[ . 1 . 2]" 1
430 1 47 PHE HZ 1 108 VAL HA . . 5.260 4.757 3.991 5.244 . 0 0 "[ . 1 . 2]" 1
431 1 47 PHE HZ 1 108 VAL QG . . 4.840 2.933 2.387 3.238 . 0 0 "[ . 1 . 2]" 1
432 1 47 PHE HZ 1 112 LEU HA . . 4.610 3.025 2.425 3.601 . 0 0 "[ . 1 . 2]" 1
433 1 47 PHE HZ 1 112 LEU HB2 . . 4.650 2.457 2.050 3.037 . 0 0 "[ . 1 . 2]" 1
434 1 47 PHE HZ 1 112 LEU HB3 . . 4.070 4.006 3.690 4.427 0.357 19 0 "[ . 1 . 2]" 1
435 1 47 PHE HZ 1 112 LEU QD . . 3.850 2.069 1.901 2.591 . 0 0 "[ . 1 . 2]" 1
436 1 47 PHE HZ 1 112 LEU HG . . 4.470 2.870 2.315 4.167 . 0 0 "[ . 1 . 2]" 1
437 1 48 GLY H 1 49 ALA H . . 4.200 4.159 3.884 4.284 0.084 13 0 "[ . 1 . 2]" 1
438 1 48 GLY H 1 52 ASN QD . . 3.940 3.281 1.948 3.921 . 0 0 "[ . 1 . 2]" 1
439 1 48 GLY HA2 1 49 ALA H . . 3.490 3.237 2.414 3.560 0.070 6 0 "[ . 1 . 2]" 1
440 1 48 GLY HA2 1 49 ALA MB . . 5.050 4.391 4.069 4.598 . 0 0 "[ . 1 . 2]" 1
441 1 48 GLY HA3 1 49 ALA H . . 3.260 2.302 2.164 2.575 . 0 0 "[ . 1 . 2]" 1
442 1 48 GLY HA3 1 49 ALA MB . . 4.450 4.054 3.708 4.278 . 0 0 "[ . 1 . 2]" 1
443 1 48 GLY HA3 1 50 GLU H . . 5.500 4.905 4.119 5.554 0.054 15 0 "[ . 1 . 2]" 1
444 1 48 GLY HA3 1 52 ASN H . . 5.500 4.930 4.305 5.518 0.018 3 0 "[ . 1 . 2]" 1
445 1 49 ALA H 1 49 ALA MB . . 2.910 2.421 2.169 2.735 . 0 0 "[ . 1 . 2]" 1
446 1 49 ALA H 1 50 GLU H . . 3.510 2.895 2.453 3.480 . 0 0 "[ . 1 . 2]" 1
447 1 49 ALA H 1 51 GLY H . . 5.500 3.496 2.548 4.742 . 0 0 "[ . 1 . 2]" 1
448 1 49 ALA HA 1 52 ASN H . . 4.290 4.067 3.505 4.317 0.027 14 0 "[ . 1 . 2]" 1
449 1 49 ALA HA 1 52 ASN QB . . 4.180 3.872 2.763 4.132 . 0 0 "[ . 1 . 2]" 1
450 1 49 ALA HA 1 52 ASN QD . . 4.280 2.386 1.917 4.193 . 0 0 "[ . 1 . 2]" 1
451 1 49 ALA MB 1 50 GLU H . . 3.170 1.984 1.760 2.365 . 0 0 "[ . 1 . 2]" 1
452 1 49 ALA MB 1 50 GLU QB . . 4.180 3.714 3.483 4.174 . 0 0 "[ . 1 . 2]" 1
453 1 49 ALA MB 1 50 GLU HG2 . . 3.940 3.298 2.545 4.448 0.508 4 1 "[ +. 1 . 2]" 1
454 1 49 ALA MB 1 50 GLU HG3 . . 4.860 4.362 3.669 4.739 . 0 0 "[ . 1 . 2]" 1
455 1 49 ALA MB 1 51 GLY H . . 5.040 4.129 3.479 4.525 . 0 0 "[ . 1 . 2]" 1
456 1 49 ALA MB 1 52 ASN H . . 5.500 4.759 4.335 5.014 . 0 0 "[ . 1 . 2]" 1
457 1 49 ALA MB 1 104 LEU QD . . 5.500 5.063 4.324 5.214 . 0 0 "[ . 1 . 2]" 1
458 1 50 GLU H 1 50 GLU QB . . 2.960 2.581 2.342 2.948 . 0 0 "[ . 1 . 2]" 1
459 1 50 GLU H 1 50 GLU HG2 . . 3.590 2.196 1.820 3.490 . 0 0 "[ . 1 . 2]" 1
460 1 50 GLU H 1 50 GLU HG3 . . 3.770 3.063 2.499 3.487 . 0 0 "[ . 1 . 2]" 1
461 1 50 GLU H 1 51 GLY H . . 3.310 2.806 2.390 3.114 . 0 0 "[ . 1 . 2]" 1
462 1 50 GLU H 1 52 ASN H . . 4.870 4.407 3.958 4.746 . 0 0 "[ . 1 . 2]" 1
463 1 50 GLU H 1 53 ARG H . . 5.500 5.009 4.775 5.295 . 0 0 "[ . 1 . 2]" 1
464 1 50 GLU H 1 104 LEU QD . . 5.210 4.163 3.607 4.500 . 0 0 "[ . 1 . 2]" 1
465 1 50 GLU HA 1 50 GLU HG2 . . 3.860 3.529 2.257 3.908 0.048 17 0 "[ . 1 . 2]" 1
466 1 50 GLU HA 1 50 GLU HG3 . . 3.860 3.775 3.190 3.897 0.037 2 0 "[ . 1 . 2]" 1
467 1 50 GLU HA 1 104 LEU QD . . 4.180 3.767 3.501 3.870 . 0 0 "[ . 1 . 2]" 1
468 1 50 GLU QB 1 50 GLU HG2 . . 2.420 2.335 2.259 2.472 0.052 15 0 "[ . 1 . 2]" 1
469 1 50 GLU QB 1 50 GLU HG3 . . 2.600 2.352 2.111 2.496 . 0 0 "[ . 1 . 2]" 1
470 1 50 GLU QB 1 51 GLY H . . 3.360 3.192 2.259 3.450 0.090 17 0 "[ . 1 . 2]" 1
471 1 50 GLU QB 1 104 LEU QD . . 3.160 2.038 1.711 2.322 . 0 0 "[ . 1 . 2]" 1
472 1 50 GLU HG2 1 51 GLY H . . 4.810 3.392 2.368 4.842 0.032 4 0 "[ . 1 . 2]" 1
473 1 50 GLU HG2 1 104 LEU QD . . 3.850 3.475 3.369 3.701 . 0 0 "[ . 1 . 2]" 1
474 1 50 GLU HG3 1 51 GLY H . . 5.360 2.897 2.080 4.880 . 0 0 "[ . 1 . 2]" 1
475 1 50 GLU HG3 1 104 LEU QD . . 4.010 2.366 2.062 3.608 . 0 0 "[ . 1 . 2]" 1
476 1 51 GLY H 1 52 ASN H . . 3.580 2.825 2.394 3.091 . 0 0 "[ . 1 . 2]" 1
477 1 51 GLY H 1 53 ARG H . . 5.500 4.391 4.195 4.694 . 0 0 "[ . 1 . 2]" 1
478 1 51 GLY H 1 104 LEU QD . . 4.430 2.808 2.477 3.208 . 0 0 "[ . 1 . 2]" 1
479 1 51 GLY QA 1 54 TYR H . . 5.290 3.484 3.028 4.344 . 0 0 "[ . 1 . 2]" 1
480 1 51 GLY QA 1 104 LEU QD . . 4.000 2.016 1.887 2.167 . 0 0 "[ . 1 . 2]" 1
481 1 51 GLY QA 1 108 VAL QG . . 3.580 2.108 1.903 2.695 . 0 0 "[ . 1 . 2]" 1
482 1 52 ASN H 1 52 ASN QB . . 3.670 2.381 2.014 2.735 . 0 0 "[ . 1 . 2]" 1
483 1 52 ASN H 1 52 ASN QD . . 5.430 3.135 2.559 4.672 . 0 0 "[ . 1 . 2]" 1
484 1 52 ASN H 1 53 ARG H . . 3.620 2.639 2.174 3.034 . 0 0 "[ . 1 . 2]" 1
485 1 52 ASN H 1 53 ARG HB2 . . 4.870 4.483 4.059 4.769 . 0 0 "[ . 1 . 2]" 1
486 1 52 ASN H 1 54 TYR H . . 5.500 4.152 3.775 4.580 . 0 0 "[ . 1 . 2]" 1
487 1 52 ASN QB 1 53 ARG H . . 3.710 2.820 1.996 3.493 . 0 0 "[ . 1 . 2]" 1
488 1 52 ASN QD 1 53 ARG H . . 3.640 3.367 2.933 3.654 0.014 7 0 "[ . 1 . 2]" 1
489 1 53 ARG H 1 53 ARG HB2 . . 3.610 2.283 2.177 2.488 . 0 0 "[ . 1 . 2]" 1
490 1 53 ARG H 1 53 ARG HB3 . . 3.500 3.546 3.493 3.576 0.076 9 0 "[ . 1 . 2]" 1
491 1 53 ARG H 1 53 ARG HD2 . . 5.200 4.538 4.131 5.043 . 0 0 "[ . 1 . 2]" 1
492 1 53 ARG H 1 53 ARG HD3 . . 5.200 4.957 4.620 5.251 0.051 8 0 "[ . 1 . 2]" 1
493 1 53 ARG H 1 53 ARG HG2 . . 4.210 2.632 2.345 3.025 . 0 0 "[ . 1 . 2]" 1
494 1 53 ARG H 1 53 ARG HG3 . . 3.690 3.489 2.910 3.944 0.254 8 0 "[ . 1 . 2]" 1
495 1 53 ARG H 1 54 TYR H . . 3.370 2.916 2.633 3.212 . 0 0 "[ . 1 . 2]" 1
496 1 53 ARG H 1 55 TYR H . . 4.860 4.181 3.916 4.376 . 0 0 "[ . 1 . 2]" 1
497 1 53 ARG HA 1 53 ARG HD2 . . 4.120 2.669 2.092 4.133 0.013 9 0 "[ . 1 . 2]" 1
498 1 53 ARG HA 1 53 ARG HD3 . . 4.400 3.648 3.140 4.148 . 0 0 "[ . 1 . 2]" 1
499 1 53 ARG HA 1 53 ARG HE . . 4.620 3.602 1.745 4.385 . 0 0 "[ . 1 . 2]" 1
500 1 53 ARG HA 1 53 ARG HG2 . . 3.600 2.542 2.346 2.773 . 0 0 "[ . 1 . 2]" 1
501 1 53 ARG HA 1 53 ARG HG3 . . 3.570 3.650 3.567 3.675 0.105 16 0 "[ . 1 . 2]" 1
502 1 53 ARG HA 1 56 GLU H . . 4.390 3.664 3.314 4.060 . 0 0 "[ . 1 . 2]" 1
503 1 53 ARG HA 1 56 GLU HB2 . . 4.010 2.730 2.248 3.480 . 0 0 "[ . 1 . 2]" 1
504 1 53 ARG HA 1 56 GLU HB3 . . 5.440 4.237 3.557 4.984 . 0 0 "[ . 1 . 2]" 1
505 1 53 ARG HA 1 56 GLU QG . . 4.470 3.209 2.753 3.688 . 0 0 "[ . 1 . 2]" 1
506 1 53 ARG HB2 1 53 ARG HE . . 4.720 4.047 3.641 4.687 . 0 0 "[ . 1 . 2]" 1
507 1 53 ARG HB2 1 54 TYR H . . 3.910 2.770 2.535 2.881 . 0 0 "[ . 1 . 2]" 1
508 1 53 ARG HB3 1 53 ARG HD2 . . 3.690 2.945 2.532 3.651 . 0 0 "[ . 1 . 2]" 1
509 1 53 ARG HB3 1 53 ARG HD3 . . 3.630 3.441 2.366 3.749 0.119 6 0 "[ . 1 . 2]" 1
510 1 53 ARG HB3 1 53 ARG HE . . 4.800 2.610 2.216 3.634 . 0 0 "[ . 1 . 2]" 1
511 1 53 ARG HB3 1 53 ARG HG2 . . 2.940 3.031 2.958 3.061 0.121 20 0 "[ . 1 . 2]" 1
512 1 53 ARG HB3 1 54 TYR H . . 3.480 3.367 2.954 3.548 0.068 20 0 "[ . 1 . 2]" 1
513 1 53 ARG HB3 1 54 TYR HA . . 5.500 4.268 3.802 4.513 . 0 0 "[ . 1 . 2]" 1
514 1 53 ARG HB3 1 54 TYR QD . . 5.430 4.892 3.717 5.511 0.081 4 0 "[ . 1 . 2]" 1
515 1 53 ARG HB3 1 57 ALA MB . . 5.030 4.808 4.326 5.136 0.106 8 0 "[ . 1 . 2]" 1
516 1 53 ARG HE 1 53 ARG HG2 . . 3.830 3.828 2.721 4.098 0.268 1 0 "[ . 1 . 2]" 1
517 1 53 ARG HE 1 57 ALA MB . . 5.410 5.229 4.562 5.511 0.101 3 0 "[ . 1 . 2]" 1
518 1 53 ARG HG2 1 54 TYR H . . 5.030 4.741 4.562 4.851 . 0 0 "[ . 1 . 2]" 1
519 1 53 ARG HG3 1 54 TYR H . . 5.290 4.993 4.660 5.101 . 0 0 "[ . 1 . 2]" 1
520 1 54 TYR H 1 54 TYR HB2 . . 3.410 2.172 2.060 2.294 . 0 0 "[ . 1 . 2]" 1
521 1 54 TYR H 1 54 TYR HB3 . . 3.290 2.881 2.621 3.223 . 0 0 "[ . 1 . 2]" 1
522 1 54 TYR H 1 54 TYR QD . . 4.890 3.813 3.342 4.066 . 0 0 "[ . 1 . 2]" 1
523 1 54 TYR H 1 55 TYR H . . 3.610 2.690 2.443 2.895 . 0 0 "[ . 1 . 2]" 1
524 1 54 TYR H 1 104 LEU QD . . 4.780 3.990 3.305 4.452 . 0 0 "[ . 1 . 2]" 1
525 1 54 TYR H 1 108 VAL QG . . 5.500 4.048 3.640 4.274 . 0 0 "[ . 1 . 2]" 1
526 1 54 TYR HA 1 54 TYR QD . . 3.360 2.628 2.147 2.970 . 0 0 "[ . 1 . 2]" 1
527 1 54 TYR HA 1 54 TYR QE . . 4.310 4.362 4.161 4.426 0.116 7 0 "[ . 1 . 2]" 1
528 1 54 TYR HA 1 57 ALA H . . 4.420 3.369 3.167 3.554 . 0 0 "[ . 1 . 2]" 1
529 1 54 TYR HA 1 57 ALA HA . . 5.230 5.241 5.011 5.318 0.088 4 0 "[ . 1 . 2]" 1
530 1 54 TYR HA 1 57 ALA MB . . 3.850 2.568 2.406 2.703 . 0 0 "[ . 1 . 2]" 1
531 1 54 TYR HA 1 58 ASN HD22 . . 5.280 4.485 3.938 5.337 0.057 8 0 "[ . 1 . 2]" 1
532 1 54 TYR HB2 1 55 TYR H . . 4.160 3.720 3.592 3.930 . 0 0 "[ . 1 . 2]" 1
533 1 54 TYR HB2 1 104 LEU QD . . 3.830 3.010 2.006 3.479 . 0 0 "[ . 1 . 2]" 1
534 1 54 TYR HB2 1 104 LEU HG . . 5.500 2.587 2.146 4.586 . 0 0 "[ . 1 . 2]" 1
535 1 54 TYR HB3 1 55 TYR H . . 4.210 2.915 2.517 3.408 . 0 0 "[ . 1 . 2]" 1
536 1 54 TYR HB3 1 104 LEU QD . . 4.140 3.285 2.346 3.940 . 0 0 "[ . 1 . 2]" 1
537 1 54 TYR HB3 1 108 VAL QG . . 4.460 2.447 2.081 2.948 . 0 0 "[ . 1 . 2]" 1
538 1 54 TYR QD 1 55 TYR H . . 4.810 4.453 3.946 4.882 0.072 16 0 "[ . 1 . 2]" 1
539 1 54 TYR QD 1 104 LEU HB3 . . 5.500 2.689 2.104 3.097 . 0 0 "[ . 1 . 2]" 1
540 1 54 TYR QD 1 104 LEU QD . . 4.150 3.502 2.827 3.813 . 0 0 "[ . 1 . 2]" 1
541 1 54 TYR QD 1 104 LEU HG . . 4.430 3.413 2.645 4.511 0.081 6 0 "[ . 1 . 2]" 1
542 1 54 TYR QD 1 108 VAL QG . . 3.590 3.157 2.512 3.609 0.019 15 0 "[ . 1 . 2]" 1
543 1 54 TYR QE 1 103 LYS HB3 . . 4.240 4.330 4.177 4.356 0.116 1 0 "[ . 1 . 2]" 1
544 1 54 TYR QE 1 104 LEU HB3 . . 4.150 3.762 3.304 4.214 0.064 4 0 "[ . 1 . 2]" 1
545 1 54 TYR QE 1 104 LEU QD . . 4.670 4.144 3.748 4.462 . 0 0 "[ . 1 . 2]" 1
546 1 54 TYR QE 1 105 HIS HA . . 4.190 3.702 2.645 4.277 0.087 12 0 "[ . 1 . 2]" 1
547 1 54 TYR QE 1 105 HIS HB2 . . 4.670 3.111 2.178 4.476 . 0 0 "[ . 1 . 2]" 1
548 1 54 TYR QE 1 105 HIS HB3 . . 4.690 2.696 2.221 3.435 . 0 0 "[ . 1 . 2]" 1
549 1 54 TYR QE 1 105 HIS HD2 . . 5.500 5.071 4.025 5.586 0.086 5 0 "[ . 1 . 2]" 1
550 1 54 TYR HH 1 57 ALA MB . . 5.410 5.471 5.206 5.524 0.114 5 0 "[ . 1 . 2]" 1
551 1 55 TYR H 1 55 TYR HB2 . . 3.200 2.346 2.240 2.462 . 0 0 "[ . 1 . 2]" 1
552 1 55 TYR H 1 55 TYR HB3 . . 3.520 2.761 2.581 2.943 . 0 0 "[ . 1 . 2]" 1
553 1 55 TYR H 1 55 TYR QD . . 5.500 4.138 3.946 4.230 . 0 0 "[ . 1 . 2]" 1
554 1 55 TYR H 1 56 GLU H . . 3.790 2.820 2.647 2.949 . 0 0 "[ . 1 . 2]" 1
555 1 55 TYR H 1 57 ALA H . . 5.190 3.983 3.796 4.179 . 0 0 "[ . 1 . 2]" 1
556 1 55 TYR H 1 108 VAL QG . . 5.500 3.171 2.834 3.505 . 0 0 "[ . 1 . 2]" 1
557 1 55 TYR HA 1 55 TYR QD . . 3.710 2.362 2.088 3.170 . 0 0 "[ . 1 . 2]" 1
558 1 55 TYR HA 1 58 ASN H . . 5.020 3.564 3.320 3.889 . 0 0 "[ . 1 . 2]" 1
559 1 55 TYR HA 1 59 TYR QD . . 5.500 4.743 4.481 5.115 . 0 0 "[ . 1 . 2]" 1
560 1 55 TYR HA 1 62 PHE QD . . 4.850 4.705 4.084 4.929 0.079 7 0 "[ . 1 . 2]" 1
561 1 55 TYR HA 1 62 PHE QE . . 4.110 3.805 2.887 4.204 0.094 2 0 "[ . 1 . 2]" 1
562 1 55 TYR HA 1 62 PHE HZ . . 5.300 4.436 3.497 5.084 . 0 0 "[ . 1 . 2]" 1
563 1 55 TYR HA 1 108 VAL QG . . 4.860 3.137 2.755 3.484 . 0 0 "[ . 1 . 2]" 1
564 1 55 TYR HB2 1 56 GLU H . . 3.750 3.570 3.392 3.688 . 0 0 "[ . 1 . 2]" 1
565 1 55 TYR HB2 1 108 VAL QG . . 4.750 2.678 2.128 3.062 . 0 0 "[ . 1 . 2]" 1
566 1 55 TYR HB3 1 56 GLU H . . 4.360 2.272 2.068 2.424 . 0 0 "[ . 1 . 2]" 1
567 1 55 TYR HB3 1 59 TYR HA . . 5.500 5.155 4.795 5.545 0.045 3 0 "[ . 1 . 2]" 1
568 1 55 TYR HB3 1 59 TYR QD . . 5.090 5.178 5.151 5.195 0.105 17 0 "[ . 1 . 2]" 1
569 1 55 TYR HB3 1 108 VAL QG . . 4.550 3.955 3.355 4.347 . 0 0 "[ . 1 . 2]" 1
570 1 55 TYR QD 1 56 GLU H . . 5.380 3.911 2.801 4.234 . 0 0 "[ . 1 . 2]" 1
571 1 55 TYR QD 1 56 GLU HA . . 4.690 4.372 2.756 4.776 0.086 5 0 "[ . 1 . 2]" 1
572 1 55 TYR QD 1 56 GLU QG . . 4.760 4.119 3.039 4.681 . 0 0 "[ . 1 . 2]" 1
573 1 55 TYR QD 1 59 TYR HA . . 4.460 2.897 2.048 4.128 . 0 0 "[ . 1 . 2]" 1
574 1 55 TYR QD 1 108 VAL QG . . 4.090 2.416 1.975 3.261 . 0 0 "[ . 1 . 2]" 1
575 1 55 TYR QD 1 112 LEU QD . . 5.080 3.338 2.535 3.837 . 0 0 "[ . 1 . 2]" 1
576 1 55 TYR QE 1 59 TYR HA . . 4.300 3.092 2.154 4.385 0.085 17 0 "[ . 1 . 2]" 1
577 1 55 TYR QE 1 59 TYR HB2 . . 4.420 3.067 2.186 4.156 . 0 0 "[ . 1 . 2]" 1
578 1 55 TYR QE 1 59 TYR HB3 . . 5.500 3.490 2.816 4.252 . 0 0 "[ . 1 . 2]" 1
579 1 55 TYR QE 1 62 PHE HB2 . . 4.730 2.694 2.155 4.798 0.068 17 0 "[ . 1 . 2]" 1
580 1 55 TYR QE 1 112 LEU QD . . 4.120 2.392 2.006 2.874 . 0 0 "[ . 1 . 2]" 1
581 1 56 GLU H 1 56 GLU HB2 . . 3.610 2.341 2.021 2.663 . 0 0 "[ . 1 . 2]" 1
582 1 56 GLU H 1 56 GLU HB3 . . 3.530 3.532 3.353 3.590 0.060 15 0 "[ . 1 . 2]" 1
583 1 56 GLU H 1 56 GLU QG . . 3.560 2.363 2.030 2.845 . 0 0 "[ . 1 . 2]" 1
584 1 56 GLU H 1 57 ALA H . . 3.550 2.876 2.770 2.978 . 0 0 "[ . 1 . 2]" 1
585 1 56 GLU H 1 57 ALA MB . . 4.940 4.572 4.429 4.645 . 0 0 "[ . 1 . 2]" 1
586 1 56 GLU H 1 58 ASN H . . 5.190 4.620 4.464 4.994 . 0 0 "[ . 1 . 2]" 1
587 1 56 GLU HA 1 57 ALA HA . . 5.310 4.704 4.616 4.800 . 0 0 "[ . 1 . 2]" 1
588 1 56 GLU HA 1 58 ASN H . . 5.500 4.522 4.193 5.213 . 0 0 "[ . 1 . 2]" 1
589 1 56 GLU HA 1 59 TYR QD . . 3.540 2.453 2.106 2.883 . 0 0 "[ . 1 . 2]" 1
590 1 56 GLU HA 1 59 TYR QE . . 5.080 3.784 3.347 4.176 . 0 0 "[ . 1 . 2]" 1
591 1 56 GLU HB2 1 57 ALA H . . 4.020 2.853 2.658 3.129 . 0 0 "[ . 1 . 2]" 1
592 1 56 GLU HB2 1 57 ALA MB . . 4.800 4.173 3.906 4.506 . 0 0 "[ . 1 . 2]" 1
593 1 56 GLU HB3 1 57 ALA H . . 4.010 3.566 2.973 3.966 . 0 0 "[ . 1 . 2]" 1
594 1 56 GLU HB3 1 57 ALA MB . . 4.760 4.632 4.036 4.869 0.109 11 0 "[ . 1 . 2]" 1
595 1 56 GLU QG 1 57 ALA H . . 4.770 4.248 4.121 4.349 . 0 0 "[ . 1 . 2]" 1
596 1 57 ALA H 1 57 ALA MB . . 2.830 2.279 2.203 2.381 . 0 0 "[ . 1 . 2]" 1
597 1 57 ALA H 1 58 ASN H . . 3.300 2.794 2.568 3.191 . 0 0 "[ . 1 . 2]" 1
598 1 57 ALA HA 1 59 TYR QD . . 4.360 4.464 4.450 4.473 0.113 8 0 "[ . 1 . 2]" 1
599 1 57 ALA MB 1 58 ASN H . . 3.650 2.655 2.095 3.036 . 0 0 "[ . 1 . 2]" 1
600 1 57 ALA MB 1 58 ASN HB2 . . 4.830 4.606 4.405 4.916 0.086 8 0 "[ . 1 . 2]" 1
601 1 57 ALA MB 1 58 ASN HD21 . . 4.120 4.106 3.052 4.235 0.115 12 0 "[ . 1 . 2]" 1
602 1 57 ALA MB 1 58 ASN HD22 . . 4.310 3.702 3.212 4.356 0.046 4 0 "[ . 1 . 2]" 1
603 1 58 ASN H 1 58 ASN HB2 . . 3.980 3.936 3.801 4.033 0.053 12 0 "[ . 1 . 2]" 1
604 1 58 ASN H 1 58 ASN HB3 . . 4.070 3.555 3.161 3.777 . 0 0 "[ . 1 . 2]" 1
605 1 58 ASN H 1 58 ASN HD21 . . 5.500 2.997 1.965 3.465 . 0 0 "[ . 1 . 2]" 1
606 1 58 ASN H 1 58 ASN HD22 . . 5.140 3.649 3.306 4.481 . 0 0 "[ . 1 . 2]" 1
607 1 58 ASN HA 1 60 TRP H . . 4.040 3.481 3.227 3.855 . 0 0 "[ . 1 . 2]" 1
608 1 58 ASN HA 1 60 TRP HD1 . . 4.400 2.741 2.328 3.426 . 0 0 "[ . 1 . 2]" 1
609 1 58 ASN HA 1 60 TRP HE1 . . 4.030 2.835 2.309 3.503 . 0 0 "[ . 1 . 2]" 1
610 1 58 ASN HB2 1 61 GLN HG3 . . 5.500 2.352 2.147 2.669 . 0 0 "[ . 1 . 2]" 1
611 1 58 ASN HB2 1 62 PHE QE . . 4.080 4.032 3.413 4.176 0.096 8 0 "[ . 1 . 2]" 1
612 1 58 ASN HD21 1 59 TYR HA . . 4.060 3.905 3.440 4.135 0.075 4 0 "[ . 1 . 2]" 1
613 1 58 ASN HD22 1 61 GLN HG3 . . 5.500 5.401 4.733 5.583 0.083 15 0 "[ . 1 . 2]" 1
614 1 59 TYR H 1 59 TYR HB2 . . 3.710 3.499 3.448 3.551 . 0 0 "[ . 1 . 2]" 1
615 1 59 TYR H 1 59 TYR HB3 . . 4.050 2.590 2.476 2.758 . 0 0 "[ . 1 . 2]" 1
616 1 59 TYR H 1 59 TYR QD . . 3.510 2.146 1.955 2.410 . 0 0 "[ . 1 . 2]" 1
617 1 59 TYR H 1 60 TRP H . . 3.930 2.897 2.680 3.227 . 0 0 "[ . 1 . 2]" 1
618 1 59 TYR HA 1 59 TYR QD . . 3.910 3.767 3.692 3.796 . 0 0 "[ . 1 . 2]" 1
619 1 59 TYR HA 1 61 GLN H . . 5.290 3.662 3.322 3.998 . 0 0 "[ . 1 . 2]" 1
620 1 59 TYR HA 1 62 PHE QD . . 3.360 2.765 2.462 3.125 . 0 0 "[ . 1 . 2]" 1
621 1 59 TYR HA 1 62 PHE QE . . 3.800 3.537 2.963 3.876 0.076 5 0 "[ . 1 . 2]" 1
622 1 59 TYR HB2 1 62 PHE QD . . 5.500 4.747 4.410 5.020 . 0 0 "[ . 1 . 2]" 1
623 1 59 TYR QD 1 60 TRP HA . . 4.190 3.122 2.912 3.349 . 0 0 "[ . 1 . 2]" 1
624 1 59 TYR QD 1 60 TRP HD1 . . 5.200 3.854 3.509 4.182 . 0 0 "[ . 1 . 2]" 1
625 1 59 TYR QE 1 60 TRP HA . . 4.650 4.421 4.118 4.702 0.052 2 0 "[ . 1 . 2]" 1
626 1 59 TYR QE 1 60 TRP HD1 . . 3.980 3.768 3.290 3.972 . 0 0 "[ . 1 . 2]" 1
627 1 59 TYR QE 1 60 TRP HE1 . . 5.500 5.467 5.151 5.599 0.099 1 0 "[ . 1 . 2]" 1
628 1 60 TRP H 1 60 TRP HB2 . . 3.680 3.530 3.483 3.600 . 0 0 "[ . 1 . 2]" 1
629 1 60 TRP H 1 60 TRP HD1 . . 3.660 2.061 1.891 2.343 . 0 0 "[ . 1 . 2]" 1
630 1 60 TRP H 1 60 TRP HE1 . . 5.120 4.304 4.118 4.615 . 0 0 "[ . 1 . 2]" 1
631 1 60 TRP H 1 61 GLN H . . 3.620 2.825 2.649 3.166 . 0 0 "[ . 1 . 2]" 1
632 1 60 TRP HA 1 60 TRP HE3 . . 4.420 4.459 4.290 4.501 0.081 3 0 "[ . 1 . 2]" 1
633 1 60 TRP HB3 1 60 TRP HE3 . . 4.050 4.053 3.956 4.108 0.058 15 0 "[ . 1 . 2]" 1
634 1 60 TRP HB3 1 61 GLN H . . 5.500 4.348 4.266 4.594 . 0 0 "[ . 1 . 2]" 1
635 1 60 TRP HD1 1 61 GLN HG2 . . 4.770 4.677 4.069 4.860 0.090 9 0 "[ . 1 . 2]" 1
636 1 60 TRP HD1 1 61 GLN HG3 . . 4.630 4.414 3.816 4.714 0.084 18 0 "[ . 1 . 2]" 1
637 1 60 TRP HE1 1 61 GLN HE21 . . 5.010 4.391 3.550 5.070 0.060 15 0 "[ . 1 . 2]" 1
638 1 60 TRP HE1 1 61 GLN HG2 . . 5.500 4.450 3.985 4.903 . 0 0 "[ . 1 . 2]" 1
639 1 60 TRP HE1 1 61 GLN HG3 . . 5.500 4.044 3.260 4.455 . 0 0 "[ . 1 . 2]" 1
640 1 60 TRP HE3 1 61 GLN HA . . 4.830 4.017 3.521 4.655 . 0 0 "[ . 1 . 2]" 1
641 1 60 TRP HE3 1 61 GLN HG2 . . 5.500 3.429 2.930 4.112 . 0 0 "[ . 1 . 2]" 1
642 1 60 TRP HH2 1 61 GLN HE21 . . 5.270 3.207 2.558 4.230 . 0 0 "[ . 1 . 2]" 1
643 1 60 TRP HZ2 1 61 GLN HE21 . . 4.730 3.076 2.350 3.732 . 0 0 "[ . 1 . 2]" 1
644 1 60 TRP HZ2 1 61 GLN HG3 . . 5.500 4.492 3.979 5.088 . 0 0 "[ . 1 . 2]" 1
645 1 60 TRP HZ3 1 61 GLN HE21 . . 5.500 3.910 2.722 5.554 0.054 1 0 "[ . 1 . 2]" 1
646 1 61 GLN H 1 61 GLN HB2 . . 3.400 2.549 2.257 2.810 . 0 0 "[ . 1 . 2]" 1
647 1 61 GLN H 1 61 GLN HB3 . . 3.960 3.631 3.511 3.827 . 0 0 "[ . 1 . 2]" 1
648 1 61 GLN H 1 61 GLN HG2 . . 3.770 2.885 2.535 3.345 . 0 0 "[ . 1 . 2]" 1
649 1 61 GLN H 1 61 GLN HG3 . . 3.970 2.792 2.236 3.548 . 0 0 "[ . 1 . 2]" 1
650 1 61 GLN H 1 62 PHE H . . 3.070 2.740 2.342 3.136 0.066 19 0 "[ . 1 . 2]" 1
651 1 61 GLN H 1 62 PHE QD . . 4.700 2.624 2.137 4.115 . 0 0 "[ . 1 . 2]" 1
652 1 61 GLN HA 1 61 GLN HG2 . . 3.990 2.537 2.415 2.675 . 0 0 "[ . 1 . 2]" 1
653 1 61 GLN HA 1 61 GLN HG3 . . 3.630 3.608 3.454 3.709 0.079 2 0 "[ . 1 . 2]" 1
654 1 61 GLN HA 1 62 PHE QD . . 4.220 4.301 4.266 4.321 0.101 10 0 "[ . 1 . 2]" 1
655 1 61 GLN HB2 1 61 GLN HG3 . . 2.400 2.305 2.255 2.391 . 0 0 "[ . 1 . 2]" 1
656 1 61 GLN HB2 1 62 PHE H . . 4.600 3.956 3.446 4.351 . 0 0 "[ . 1 . 2]" 1
657 1 61 GLN HB3 1 61 GLN HE21 . . 4.760 4.122 3.316 4.484 . 0 0 "[ . 1 . 2]" 1
658 1 61 GLN HB3 1 61 GLN HG2 . . 2.930 2.805 2.589 3.009 0.079 2 0 "[ . 1 . 2]" 1
659 1 61 GLN HB3 1 62 PHE H . . 4.850 4.507 4.338 4.638 . 0 0 "[ . 1 . 2]" 1
660 1 61 GLN HB3 1 62 PHE QE . . 5.330 4.595 4.009 5.115 . 0 0 "[ . 1 . 2]" 1
661 1 61 GLN HG2 1 62 PHE H . . 5.310 4.850 4.678 5.087 . 0 0 "[ . 1 . 2]" 1
662 1 61 GLN HG3 1 62 PHE QE . . 4.730 4.497 4.100 4.804 0.074 15 0 "[ . 1 . 2]" 1
663 1 62 PHE H 1 62 PHE HB2 . . 3.530 2.483 2.266 2.768 . 0 0 "[ . 1 . 2]" 1
664 1 62 PHE H 1 62 PHE HB3 . . 3.800 3.657 3.543 3.814 0.014 7 0 "[ . 1 . 2]" 1
665 1 62 PHE H 1 62 PHE QD . . 4.000 2.706 2.302 3.085 . 0 0 "[ . 1 . 2]" 1
666 1 62 PHE H 1 112 LEU QD . . 5.500 4.821 4.467 5.085 . 0 0 "[ . 1 . 2]" 1
667 1 62 PHE HA 1 62 PHE QD . . 3.880 3.110 2.367 3.258 . 0 0 "[ . 1 . 2]" 1
668 1 62 PHE HA 1 63 PRO HD2 . . 3.650 2.557 2.385 2.954 . 0 0 "[ . 1 . 2]" 1
669 1 62 PHE HA 1 63 PRO HD3 . . 3.560 2.460 2.137 2.725 . 0 0 "[ . 1 . 2]" 1
670 1 62 PHE HA 1 109 LEU QD . . 4.790 2.942 2.385 3.416 . 0 0 "[ . 1 . 2]" 1
671 1 62 PHE HA 1 112 LEU QD . . 5.500 3.990 3.746 4.303 . 0 0 "[ . 1 . 2]" 1
672 1 62 PHE HB2 1 63 PRO HD2 . . 4.870 3.714 3.458 3.861 . 0 0 "[ . 1 . 2]" 1
673 1 62 PHE HB2 1 112 LEU QD . . 3.790 3.043 2.650 3.369 . 0 0 "[ . 1 . 2]" 1
674 1 62 PHE HB3 1 63 PRO HD2 . . 4.850 2.159 1.998 2.276 . 0 0 "[ . 1 . 2]" 1
675 1 62 PHE HB3 1 109 LEU QD . . 4.390 3.256 2.413 3.851 . 0 0 "[ . 1 . 2]" 1
676 1 62 PHE HB3 1 112 LEU QD . . 3.920 2.279 1.984 2.686 . 0 0 "[ . 1 . 2]" 1
677 1 62 PHE QD 1 63 PRO HD2 . . 4.660 2.994 2.564 4.048 . 0 0 "[ . 1 . 2]" 1
678 1 62 PHE QD 1 63 PRO HD3 . . 5.500 4.168 3.706 4.456 . 0 0 "[ . 1 . 2]" 1
679 1 62 PHE QD 1 105 HIS HA . . 5.430 5.223 4.705 5.510 0.080 15 0 "[ . 1 . 2]" 1
680 1 62 PHE QD 1 108 VAL QG . . 4.060 2.962 2.655 3.220 . 0 0 "[ . 1 . 2]" 1
681 1 62 PHE QD 1 109 LEU HA . . 4.330 2.582 2.289 3.703 . 0 0 "[ . 1 . 2]" 1
682 1 62 PHE QD 1 109 LEU QD . . 3.360 2.286 2.063 2.683 . 0 0 "[ . 1 . 2]" 1
683 1 62 PHE QD 1 112 LEU QD . . 3.550 2.492 2.064 3.165 . 0 0 "[ . 1 . 2]" 1
684 1 62 PHE QE 1 105 HIS HA . . 3.480 3.090 2.482 3.530 0.050 15 0 "[ . 1 . 2]" 1
685 1 62 PHE QE 1 108 VAL HA . . 4.670 4.671 4.551 4.744 0.074 15 0 "[ . 1 . 2]" 1
686 1 62 PHE QE 1 108 VAL HB . . 3.550 2.354 2.242 2.491 . 0 0 "[ . 1 . 2]" 1
687 1 62 PHE QE 1 108 VAL QG . . 3.800 2.414 1.972 2.611 . 0 0 "[ . 1 . 2]" 1
688 1 62 PHE QE 1 109 LEU H . . 4.140 2.509 2.240 3.732 . 0 0 "[ . 1 . 2]" 1
689 1 62 PHE QE 1 109 LEU HA . . 4.290 2.978 2.538 4.153 . 0 0 "[ . 1 . 2]" 1
690 1 62 PHE QE 1 109 LEU HB2 . . 3.250 2.800 2.226 3.342 0.092 14 0 "[ . 1 . 2]" 1
691 1 62 PHE QE 1 109 LEU HB3 . . 4.970 4.105 3.657 4.539 . 0 0 "[ . 1 . 2]" 1
692 1 62 PHE QE 1 109 LEU QD . . 3.770 3.310 3.105 3.614 . 0 0 "[ . 1 . 2]" 1
693 1 62 PHE QE 1 112 LEU HB2 . . 5.390 4.633 4.030 5.104 . 0 0 "[ . 1 . 2]" 1
694 1 62 PHE QE 1 112 LEU QD . . 5.110 3.882 3.394 4.582 . 0 0 "[ . 1 . 2]" 1
695 1 62 PHE HZ 1 105 HIS HA . . 3.930 2.237 2.037 2.446 . 0 0 "[ . 1 . 2]" 1
696 1 62 PHE HZ 1 108 VAL HB . . 4.550 2.989 2.689 3.360 . 0 0 "[ . 1 . 2]" 1
697 1 62 PHE HZ 1 108 VAL QG . . 3.630 2.997 2.714 3.368 . 0 0 "[ . 1 . 2]" 1
698 1 62 PHE HZ 1 109 LEU H . . 4.970 4.304 3.779 4.797 . 0 0 "[ . 1 . 2]" 1
699 1 63 PRO HA 1 64 ASP H . . 3.380 2.465 2.198 2.772 . 0 0 "[ . 1 . 2]" 1
700 1 63 PRO HA 1 65 GLY H . . 5.030 4.220 3.611 4.893 . 0 0 "[ . 1 . 2]" 1
701 1 63 PRO HD2 1 109 LEU QD . . 4.040 2.250 2.023 3.061 . 0 0 "[ . 1 . 2]" 1
702 1 63 PRO HD2 1 112 LEU QD . . 3.840 2.391 2.004 2.785 . 0 0 "[ . 1 . 2]" 1
703 1 63 PRO HD3 1 109 LEU QD . . 4.270 2.357 2.180 2.683 . 0 0 "[ . 1 . 2]" 1
704 1 64 ASP H 1 65 GLY H . . 3.290 2.133 1.578 2.477 . 0 0 "[ . 1 . 2]" 1
705 1 64 ASP HA 1 116 LEU QD . . 4.520 3.177 2.311 4.183 . 0 0 "[ . 1 . 2]" 1
706 1 65 GLY H 1 116 LEU QD . . 4.440 3.065 1.788 3.907 . 0 0 "[ . 1 . 2]" 1
707 1 65 GLY HA2 1 116 LEU QD . . 3.590 2.624 1.995 3.091 . 0 0 "[ . 1 . 2]" 1
708 1 65 GLY HA3 1 116 LEU QD . . 4.480 3.738 3.166 4.104 . 0 0 "[ . 1 . 2]" 1
709 1 66 ILE H 1 66 ILE MD . . 4.080 3.932 3.591 4.191 0.111 13 0 "[ . 1 . 2]" 1
710 1 66 ILE H 1 66 ILE HG13 . . 4.000 4.214 3.960 4.418 0.418 9 0 "[ . 1 . 2]" 1
711 1 66 ILE H 1 66 ILE MG . . 4.160 3.847 3.692 3.913 . 0 0 "[ . 1 . 2]" 1
712 1 66 ILE H 1 113 VAL QG . . 5.500 5.312 5.034 5.489 . 0 0 "[ . 1 . 2]" 1
713 1 66 ILE H 1 116 LEU HB2 . . 4.700 4.634 4.274 4.787 0.087 1 0 "[ . 1 . 2]" 1
714 1 66 ILE H 1 116 LEU QD . . 4.790 3.644 3.129 4.053 . 0 0 "[ . 1 . 2]" 1
715 1 66 ILE HA 1 66 ILE MD . . 3.970 2.163 2.079 2.238 . 0 0 "[ . 1 . 2]" 1
716 1 66 ILE HA 1 66 ILE HG13 . . 3.450 3.791 3.691 3.859 0.409 3 0 "[ . 1 . 2]" 1
717 1 66 ILE HA 1 66 ILE MG . . 3.190 2.464 2.280 2.705 . 0 0 "[ . 1 . 2]" 1
718 1 66 ILE HA 1 67 HIS H . . 3.370 2.269 2.069 2.582 . 0 0 "[ . 1 . 2]" 1
719 1 66 ILE HA 1 116 LEU QD . . 4.960 4.232 3.962 4.554 . 0 0 "[ . 1 . 2]" 1
720 1 66 ILE MD 1 66 ILE MG . . 2.400 2.135 1.996 2.209 . 0 0 "[ . 1 . 2]" 1
721 1 66 ILE MD 1 67 HIS HE1 . . 5.500 5.135 4.484 5.588 0.088 14 0 "[ . 1 . 2]" 1
722 1 66 ILE MD 1 113 VAL QG . . 4.030 2.101 1.954 2.336 . 0 0 "[ . 1 . 2]" 1
723 1 66 ILE HG12 1 66 ILE MG . . 3.590 3.216 3.182 3.240 . 0 0 "[ . 1 . 2]" 1
724 1 66 ILE HG12 1 116 LEU QD . . 3.800 2.361 2.127 2.713 . 0 0 "[ . 1 . 2]" 1
725 1 66 ILE HG13 1 66 ILE MG . . 3.400 2.307 2.184 2.412 . 0 0 "[ . 1 . 2]" 1
726 1 66 ILE HG13 1 67 HIS H . . 5.090 5.118 4.785 5.545 0.455 19 0 "[ . 1 . 2]" 1
727 1 66 ILE HG13 1 113 VAL QG . . 3.810 2.144 1.989 2.276 . 0 0 "[ . 1 . 2]" 1
728 1 66 ILE HG13 1 116 LEU HB3 . . 3.660 3.388 2.775 3.864 0.204 10 0 "[ . 1 . 2]" 1
729 1 66 ILE HG13 1 116 LEU QD . . 4.130 3.549 3.317 3.804 . 0 0 "[ . 1 . 2]" 1
730 1 66 ILE MG 1 67 HIS H . . 3.720 2.249 1.767 2.857 . 0 0 "[ . 1 . 2]" 1
731 1 66 ILE MG 1 67 HIS HE1 . . 5.500 5.578 5.386 5.615 0.115 9 0 "[ . 1 . 2]" 1
732 1 66 ILE MG 1 68 TYR HB2 . . 4.130 2.279 2.068 2.774 . 0 0 "[ . 1 . 2]" 1
733 1 66 ILE MG 1 68 TYR HB3 . . 3.700 2.705 2.156 3.525 . 0 0 "[ . 1 . 2]" 1
734 1 66 ILE MG 1 68 TYR QD . . 3.650 3.768 3.725 3.794 0.144 14 0 "[ . 1 . 2]" 1
735 1 66 ILE MG 1 89 THR HB . . 4.370 3.441 2.716 3.797 . 0 0 "[ . 1 . 2]" 1
736 1 66 ILE MG 1 89 THR HG1 . . 4.390 3.702 3.132 4.300 . 0 0 "[ . 1 . 2]" 1
737 1 66 ILE MG 1 113 VAL QG . . 3.440 3.428 3.081 3.514 0.074 4 0 "[ . 1 . 2]" 1
738 1 67 HIS H 1 67 HIS HB2 . . 4.020 2.629 2.248 3.230 . 0 0 "[ . 1 . 2]" 1
739 1 67 HIS H 1 67 HIS HB3 . . 3.950 3.611 3.481 3.879 . 0 0 "[ . 1 . 2]" 1
740 1 68 TYR HA 1 68 TYR QD . . 3.500 2.527 2.095 3.077 . 0 0 "[ . 1 . 2]" 1
741 1 68 TYR HA 1 68 TYR QE . . 5.180 4.551 4.376 4.784 . 0 0 "[ . 1 . 2]" 1
742 1 68 TYR HA 1 69 ASN H . . 3.280 2.638 2.231 3.325 0.045 2 0 "[ . 1 . 2]" 1
743 1 68 TYR HB2 1 88 ALA MB . . 4.330 4.208 3.722 4.420 0.090 8 0 "[ . 1 . 2]" 1
744 1 68 TYR QD 1 69 ASN H . . 5.390 3.827 2.587 4.819 . 0 0 "[ . 1 . 2]" 1
745 1 68 TYR QD 1 81 PHE QD . . 4.510 4.331 3.949 4.623 0.113 14 0 "[ . 1 . 2]" 1
746 1 68 TYR QD 1 81 PHE QE . . 4.440 2.793 2.258 3.669 . 0 0 "[ . 1 . 2]" 1
747 1 68 TYR QD 1 81 PHE HZ . . 4.380 3.755 3.174 4.441 0.061 5 0 "[ . 1 . 2]" 1
748 1 68 TYR QD 1 85 CYS QB . . 4.310 2.619 2.179 3.134 . 0 0 "[ . 1 . 2]" 1
749 1 68 TYR QD 1 88 ALA MB . . 3.660 3.126 2.612 3.566 . 0 0 "[ . 1 . 2]" 1
750 1 68 TYR QE 1 81 PHE HA . . 4.880 4.280 3.542 4.951 0.071 11 0 "[ . 1 . 2]" 1
751 1 68 TYR QE 1 81 PHE QD . . 5.140 2.980 2.335 3.590 . 0 0 "[ . 1 . 2]" 1
752 1 68 TYR QE 1 81 PHE QE . . 4.580 2.982 2.376 3.683 . 0 0 "[ . 1 . 2]" 1
753 1 68 TYR QE 1 81 PHE HZ . . 5.140 4.816 4.119 5.224 0.084 13 0 "[ . 1 . 2]" 1
754 1 68 TYR QE 1 85 CYS QB . . 4.910 3.097 2.421 3.971 . 0 0 "[ . 1 . 2]" 1
755 1 68 TYR QE 1 88 ALA MB . . 3.160 2.803 2.118 3.270 0.110 6 0 "[ . 1 . 2]" 1
756 1 69 ASN HA 1 70 GLY H . . 3.250 2.569 2.200 3.349 0.099 20 0 "[ . 1 . 2]" 1
757 1 69 ASN QB 1 71 CYS H . . 4.870 4.016 2.681 4.850 . 0 0 "[ . 1 . 2]" 1
758 1 70 GLY H 1 71 CYS H . . 4.250 3.570 2.941 4.322 0.072 14 0 "[ . 1 . 2]" 1
759 1 70 GLY QA 1 71 CYS QB . . 5.500 3.928 3.560 4.723 . 0 0 "[ . 1 . 2]" 1
760 1 70 GLY QA 1 81 PHE QE . . 5.200 3.906 2.357 5.046 . 0 0 "[ . 1 . 2]" 1
761 1 70 GLY QA 1 81 PHE HZ . . 5.500 4.719 2.401 5.330 . 0 0 "[ . 1 . 2]" 1
762 1 71 CYS H 1 71 CYS QB . . 3.820 2.822 2.223 3.380 . 0 0 "[ . 1 . 2]" 1
763 1 71 CYS H 1 72 SER H . . 3.980 3.206 1.917 4.073 0.093 2 0 "[ . 1 . 2]" 1
764 1 71 CYS H 1 72 SER QB . . 5.200 4.442 3.667 5.043 . 0 0 "[ . 1 . 2]" 1
765 1 71 CYS H 1 81 PHE QE . . 5.260 4.582 3.203 5.340 0.080 12 0 "[ . 1 . 2]" 1
766 1 71 CYS QB 1 72 SER H . . 4.570 3.521 2.113 4.115 . 0 0 "[ . 1 . 2]" 1
767 1 72 SER H 1 73 GLU H . . 3.750 2.797 1.877 3.724 . 0 0 "[ . 1 . 2]" 1
768 1 72 SER QB 1 73 GLU H . . 4.280 3.319 2.335 3.986 . 0 0 "[ . 1 . 2]" 1
769 1 73 GLU H 1 73 GLU HB2 . . 3.900 2.641 2.032 3.401 . 0 0 "[ . 1 . 2]" 1
770 1 73 GLU H 1 73 GLU HB3 . . 3.750 3.468 2.801 3.831 0.081 1 0 "[ . 1 . 2]" 1
771 1 73 GLU H 1 73 GLU QG . . 4.100 3.444 2.583 4.208 0.108 19 0 "[ . 1 . 2]" 1
772 1 73 GLU H 1 74 ALA H . . 4.450 3.925 1.677 4.519 0.069 4 0 "[ . 1 . 2]" 1
773 1 73 GLU H 1 74 ALA MB . . 5.500 4.844 3.377 5.605 0.105 18 0 "[ . 1 . 2]" 1
774 1 73 GLU H 1 76 VAL QG . . 5.500 3.830 2.537 4.351 . 0 0 "[ . 1 . 2]" 1
775 1 73 GLU HA 1 73 GLU QG . . 3.700 2.569 2.161 2.981 . 0 0 "[ . 1 . 2]" 1
776 1 73 GLU HA 1 74 ALA H . . 3.540 2.581 2.063 3.574 0.034 10 0 "[ . 1 . 2]" 1
777 1 73 GLU HA 1 74 ALA MB . . 3.790 3.804 3.668 3.902 0.112 15 0 "[ . 1 . 2]" 1
778 1 73 GLU HA 1 75 ASN H . . 4.080 4.008 3.524 4.167 0.087 19 0 "[ . 1 . 2]" 1
779 1 73 GLU HB2 1 73 GLU QG . . 2.400 2.294 2.156 2.539 0.139 4 0 "[ . 1 . 2]" 1
780 1 73 GLU HB2 1 74 ALA H . . 4.350 3.790 3.189 4.172 . 0 0 "[ . 1 . 2]" 1
781 1 73 GLU HB2 1 74 ALA MB . . 5.340 5.314 4.950 5.445 0.105 13 0 "[ . 1 . 2]" 1
782 1 73 GLU HB2 1 76 VAL QG . . 3.980 2.513 1.954 3.375 . 0 0 "[ . 1 . 2]" 1
783 1 73 GLU HB3 1 74 ALA H . . 3.760 2.588 2.226 3.244 . 0 0 "[ . 1 . 2]" 1
784 1 73 GLU HB3 1 74 ALA MB . . 4.950 4.513 4.016 4.795 . 0 0 "[ . 1 . 2]" 1
785 1 73 GLU HB3 1 76 VAL QG . . 4.140 2.490 1.946 3.620 . 0 0 "[ . 1 . 2]" 1
786 1 73 GLU QG 1 74 ALA H . . 4.290 3.868 3.344 4.375 0.085 20 0 "[ . 1 . 2]" 1
787 1 73 GLU QG 1 76 VAL QG . . 4.260 2.758 2.099 4.069 . 0 0 "[ . 1 . 2]" 1
788 1 74 ALA H 1 74 ALA MB . . 2.880 2.549 2.115 2.986 0.106 10 0 "[ . 1 . 2]" 1
789 1 74 ALA H 1 75 ASN H . . 2.400 2.142 1.734 2.494 0.094 10 0 "[ . 1 . 2]" 1
790 1 74 ALA H 1 76 VAL H . . 5.230 4.818 3.801 5.314 0.084 1 0 "[ . 1 . 2]" 1
791 1 74 ALA HA 1 75 ASN H . . 3.330 3.261 3.003 3.418 0.088 18 0 "[ . 1 . 2]" 1
792 1 74 ALA MB 1 75 ASN H . . 3.700 3.292 2.831 3.582 . 0 0 "[ . 1 . 2]" 1
793 1 74 ALA MB 1 75 ASN HA . . 5.330 4.386 4.157 4.613 . 0 0 "[ . 1 . 2]" 1
794 1 74 ALA MB 1 75 ASN QB . . 4.290 3.764 3.056 4.325 0.035 14 0 "[ . 1 . 2]" 1
795 1 74 ALA MB 1 75 ASN HD21 . . 5.370 4.012 2.276 5.412 0.042 3 0 "[ . 1 . 2]" 1
796 1 74 ALA MB 1 75 ASN HD22 . . 4.790 4.584 3.367 5.476 0.686 20 4 "[ . * 1 * - +]" 1
797 1 74 ALA MB 1 76 VAL H . . 5.360 5.271 4.919 5.457 0.097 16 0 "[ . 1 . 2]" 1
798 1 75 ASN H 1 75 ASN QB . . 3.420 2.951 2.618 3.468 0.048 16 0 "[ . 1 . 2]" 1
799 1 75 ASN H 1 76 VAL H . . 3.660 3.076 2.390 3.642 . 0 0 "[ . 1 . 2]" 1
800 1 75 ASN HA 1 75 ASN HD22 . . 5.470 4.325 3.312 5.434 . 0 0 "[ . 1 . 2]" 1
801 1 75 ASN HA 1 76 VAL H . . 3.380 2.554 2.210 3.089 . 0 0 "[ . 1 . 2]" 1
802 1 75 ASN HA 1 76 VAL QG . . 4.410 3.967 3.421 4.367 . 0 0 "[ . 1 . 2]" 1
803 1 75 ASN QB 1 75 ASN HD22 . . 3.460 3.378 3.245 3.519 0.059 11 0 "[ . 1 . 2]" 1
804 1 75 ASN QB 1 76 VAL H . . 4.600 4.026 3.778 4.130 . 0 0 "[ . 1 . 2]" 1
805 1 76 VAL H 1 76 VAL HB . . 3.680 3.369 2.353 3.755 0.075 4 0 "[ . 1 . 2]" 1
806 1 76 VAL H 1 76 VAL QG . . 3.370 2.201 1.872 2.492 . 0 0 "[ . 1 . 2]" 1
807 1 76 VAL H 1 77 THR H . . 4.460 4.401 4.246 4.530 0.070 19 0 "[ . 1 . 2]" 1
808 1 76 VAL H 1 77 THR MG . . 5.460 4.471 3.950 4.981 . 0 0 "[ . 1 . 2]" 1
809 1 76 VAL H 1 80 ALA MB . . 5.320 5.123 4.660 5.418 0.098 6 0 "[ . 1 . 2]" 1
810 1 76 VAL H 1 124 PHE QE . . 5.090 2.882 1.984 5.185 0.095 20 0 "[ . 1 . 2]" 1
811 1 76 VAL H 1 125 TRP H . . 5.140 5.205 5.196 5.217 0.077 8 0 "[ . 1 . 2]" 1
812 1 76 VAL HA 1 76 VAL QG . . 3.290 2.239 2.189 2.309 . 0 0 "[ . 1 . 2]" 1
813 1 76 VAL HA 1 77 THR H . . 3.040 2.505 2.072 2.792 . 0 0 "[ . 1 . 2]" 1
814 1 76 VAL HA 1 77 THR MG . . 4.040 3.362 2.925 3.724 . 0 0 "[ . 1 . 2]" 1
815 1 76 VAL HA 1 80 ALA MB . . 3.990 2.860 2.187 3.465 . 0 0 "[ . 1 . 2]" 1
816 1 76 VAL HB 1 77 THR H . . 3.810 3.013 2.002 3.904 0.094 1 0 "[ . 1 . 2]" 1
817 1 76 VAL HB 1 80 ALA MB . . 4.050 3.205 2.181 4.149 0.099 3 0 "[ . 1 . 2]" 1
818 1 76 VAL QG 1 77 THR H . . 3.610 2.597 1.794 3.338 . 0 0 "[ . 1 . 2]" 1
819 1 76 VAL QG 1 77 THR HA . . 4.210 3.796 3.439 4.151 . 0 0 "[ . 1 . 2]" 1
820 1 76 VAL QG 1 80 ALA H . . 5.210 4.275 3.491 4.956 . 0 0 "[ . 1 . 2]" 1
821 1 76 VAL QG 1 80 ALA MB . . 2.850 2.246 1.902 2.802 . 0 0 "[ . 1 . 2]" 1
822 1 76 VAL QG 1 81 PHE H . . 4.380 2.932 2.145 3.822 . 0 0 "[ . 1 . 2]" 1
823 1 76 VAL QG 1 81 PHE HA . . 4.250 3.022 2.490 3.682 . 0 0 "[ . 1 . 2]" 1
824 1 76 VAL QG 1 81 PHE HB2 . . 4.060 2.120 1.964 2.622 . 0 0 "[ . 1 . 2]" 1
825 1 76 VAL QG 1 81 PHE HB3 . . 4.990 2.811 2.258 3.689 . 0 0 "[ . 1 . 2]" 1
826 1 76 VAL QG 1 81 PHE QD . . 3.950 3.302 2.402 3.797 . 0 0 "[ . 1 . 2]" 1
827 1 76 VAL QG 1 124 PHE QE . . 3.940 3.763 2.588 3.933 . 0 0 "[ . 1 . 2]" 1
828 1 76 VAL QG 1 125 TRP HE1 . . 4.330 2.236 1.808 2.606 . 0 0 "[ . 1 . 2]" 1
829 1 76 VAL QG 1 125 TRP HZ2 . . 3.420 3.338 2.711 3.489 0.069 13 0 "[ . 1 . 2]" 1
830 1 77 THR H 1 77 THR MG . . 3.300 2.959 2.408 3.316 0.016 15 0 "[ . 1 . 2]" 1
831 1 77 THR H 1 78 LYS H . . 4.800 4.413 4.296 4.687 . 0 0 "[ . 1 . 2]" 1
832 1 77 THR H 1 80 ALA H . . 4.220 3.180 2.714 3.646 . 0 0 "[ . 1 . 2]" 1
833 1 77 THR H 1 80 ALA MB . . 3.310 1.889 1.656 2.150 . 0 0 "[ . 1 . 2]" 1
834 1 77 THR H 1 81 PHE H . . 4.720 2.880 2.199 3.613 . 0 0 "[ . 1 . 2]" 1
835 1 77 THR H 1 81 PHE HA . . 5.500 5.122 4.681 5.567 0.067 3 0 "[ . 1 . 2]" 1
836 1 77 THR HA 1 77 THR MG . . 3.320 2.498 2.326 2.912 . 0 0 "[ . 1 . 2]" 1
837 1 77 THR HA 1 78 LYS H . . 3.260 2.485 2.330 2.650 . 0 0 "[ . 1 . 2]" 1
838 1 77 THR HA 1 78 LYS HG3 . . 5.080 4.976 4.203 5.169 0.089 10 0 "[ . 1 . 2]" 1
839 1 77 THR HA 1 80 ALA MB . . 4.600 4.386 4.063 4.631 0.031 19 0 "[ . 1 . 2]" 1
840 1 77 THR HA 1 125 TRP HE1 . . 5.500 5.200 3.480 5.580 0.080 15 0 "[ . 1 . 2]" 1
841 1 77 THR HB 1 78 LYS H . . 3.370 2.422 2.238 2.789 . 0 0 "[ . 1 . 2]" 1
842 1 77 THR HB 1 79 GLU H . . 4.530 2.798 2.325 3.493 . 0 0 "[ . 1 . 2]" 1
843 1 77 THR MG 1 78 LYS H . . 4.000 3.790 3.552 4.106 0.106 16 0 "[ . 1 . 2]" 1
844 1 77 THR MG 1 79 GLU H . . 5.000 4.037 3.871 4.492 . 0 0 "[ . 1 . 2]" 1
845 1 77 THR MG 1 79 GLU QB . . 5.110 4.127 3.721 4.603 . 0 0 "[ . 1 . 2]" 1
846 1 77 THR MG 1 80 ALA H . . 4.680 4.195 3.649 4.766 0.086 20 0 "[ . 1 . 2]" 1
847 1 78 LYS H 1 78 LYS HB3 . . 3.570 3.351 3.153 3.614 0.044 3 0 "[ . 1 . 2]" 1
848 1 78 LYS H 1 78 LYS HG2 . . 4.160 4.142 3.682 4.248 0.088 9 0 "[ . 1 . 2]" 1
849 1 78 LYS HA 1 78 LYS HG2 . . 4.200 2.325 2.190 2.500 . 0 0 "[ . 1 . 2]" 1
850 1 78 LYS HA 1 81 PHE QD . . 5.270 3.329 2.700 4.324 . 0 0 "[ . 1 . 2]" 1
851 1 78 LYS HA 1 125 TRP HZ2 . . 5.500 4.913 3.789 5.581 0.081 18 0 "[ . 1 . 2]" 1
852 1 78 LYS HB3 1 79 GLU H . . 4.230 3.738 3.014 4.117 . 0 0 "[ . 1 . 2]" 1
853 1 78 LYS HE2 1 78 LYS HG2 . . 3.960 2.728 2.245 3.256 . 0 0 "[ . 1 . 2]" 1
854 1 78 LYS HE2 1 82 VAL QG . . 3.820 3.568 2.395 3.812 . 0 0 "[ . 1 . 2]" 1
855 1 78 LYS HE3 1 78 LYS HG2 . . 4.070 2.541 2.185 3.397 . 0 0 "[ . 1 . 2]" 1
856 1 78 LYS HE3 1 82 VAL QG . . 3.750 3.320 2.495 3.740 . 0 0 "[ . 1 . 2]" 1
857 1 78 LYS HG2 1 79 GLU H . . 5.270 5.182 4.921 5.348 0.078 6 0 "[ . 1 . 2]" 1
858 1 78 LYS HG2 1 82 VAL QG . . 2.850 2.352 2.018 2.895 0.045 12 0 "[ . 1 . 2]" 1
859 1 78 LYS HG3 1 81 PHE QD . . 4.390 4.423 3.829 4.495 0.105 16 0 "[ . 1 . 2]" 1
860 1 79 GLU H 1 79 GLU QB . . 3.300 2.207 2.030 2.431 . 0 0 "[ . 1 . 2]" 1
861 1 79 GLU H 1 79 GLU HG2 . . 4.320 3.810 3.125 4.374 0.054 17 0 "[ . 1 . 2]" 1
862 1 79 GLU H 1 79 GLU HG3 . . 4.420 4.345 4.102 4.498 0.078 9 0 "[ . 1 . 2]" 1
863 1 79 GLU H 1 80 ALA H . . 3.860 2.406 1.950 2.682 . 0 0 "[ . 1 . 2]" 1
864 1 79 GLU H 1 80 ALA MB . . 4.100 3.970 3.616 4.204 0.104 12 0 "[ . 1 . 2]" 1
865 1 79 GLU H 1 81 PHE H . . 4.340 4.108 3.650 4.423 0.083 7 0 "[ . 1 . 2]" 1
866 1 79 GLU H 1 82 VAL QG . . 5.110 4.496 3.885 4.933 . 0 0 "[ . 1 . 2]" 1
867 1 79 GLU HA 1 79 GLU HG2 . . 3.310 2.914 2.332 3.624 0.314 16 0 "[ . 1 . 2]" 1
868 1 79 GLU HA 1 79 GLU HG3 . . 3.710 3.242 2.235 3.696 . 0 0 "[ . 1 . 2]" 1
869 1 79 GLU HA 1 81 PHE H . . 5.250 4.994 4.522 5.285 0.035 4 0 "[ . 1 . 2]" 1
870 1 79 GLU HA 1 82 VAL QG . . 4.960 3.958 3.004 4.600 . 0 0 "[ . 1 . 2]" 1
871 1 79 GLU QB 1 79 GLU HG2 . . 2.530 2.322 2.164 2.462 . 0 0 "[ . 1 . 2]" 1
872 1 79 GLU QB 1 79 GLU HG3 . . 2.530 2.232 2.147 2.451 . 0 0 "[ . 1 . 2]" 1
873 1 79 GLU QB 1 80 ALA H . . 3.960 2.820 2.095 3.490 . 0 0 "[ . 1 . 2]" 1
874 1 79 GLU QB 1 80 ALA MB . . 4.400 3.721 3.327 4.010 . 0 0 "[ . 1 . 2]" 1
875 1 80 ALA H 1 80 ALA MB . . 3.160 2.245 2.110 2.417 . 0 0 "[ . 1 . 2]" 1
876 1 80 ALA H 1 81 PHE H . . 3.700 2.665 2.049 3.242 . 0 0 "[ . 1 . 2]" 1
877 1 80 ALA H 1 83 THR H . . 5.500 4.569 3.795 4.906 . 0 0 "[ . 1 . 2]" 1
878 1 80 ALA HA 1 83 THR H . . 5.420 4.263 3.752 4.855 . 0 0 "[ . 1 . 2]" 1
879 1 80 ALA HA 1 84 GLY H . . 4.830 4.279 3.832 4.798 . 0 0 "[ . 1 . 2]" 1
880 1 80 ALA MB 1 81 PHE H . . 3.490 2.404 2.166 2.887 . 0 0 "[ . 1 . 2]" 1
881 1 80 ALA MB 1 81 PHE HA . . 5.370 3.820 3.731 4.029 . 0 0 "[ . 1 . 2]" 1
882 1 80 ALA MB 1 81 PHE QD . . 5.500 5.188 4.965 5.519 0.019 10 0 "[ . 1 . 2]" 1
883 1 80 ALA MB 1 83 THR HB . . 5.500 4.373 4.047 4.929 . 0 0 "[ . 1 . 2]" 1
884 1 81 PHE H 1 81 PHE HB2 . . 3.890 2.948 2.522 3.266 . 0 0 "[ . 1 . 2]" 1
885 1 81 PHE H 1 81 PHE HB3 . . 3.780 2.197 2.047 2.392 . 0 0 "[ . 1 . 2]" 1
886 1 81 PHE H 1 81 PHE QD . . 5.500 3.852 3.299 4.196 . 0 0 "[ . 1 . 2]" 1
887 1 81 PHE H 1 82 VAL H . . 4.230 2.748 2.517 3.106 . 0 0 "[ . 1 . 2]" 1
888 1 81 PHE HA 1 81 PHE QD . . 3.850 2.854 2.332 3.540 . 0 0 "[ . 1 . 2]" 1
889 1 81 PHE HA 1 84 GLY H . . 5.500 3.413 2.876 3.804 . 0 0 "[ . 1 . 2]" 1
890 1 81 PHE HB2 1 125 TRP HZ2 . . 4.310 4.042 3.238 4.393 0.083 11 0 "[ . 1 . 2]" 1
891 1 81 PHE HB3 1 82 VAL QG . . 4.690 3.506 2.882 4.300 . 0 0 "[ . 1 . 2]" 1
892 1 81 PHE QD 1 82 VAL HA . . 3.790 3.804 3.677 3.895 0.105 1 0 "[ . 1 . 2]" 1
893 1 81 PHE QD 1 82 VAL HB . . 5.200 4.111 3.215 4.456 . 0 0 "[ . 1 . 2]" 1
894 1 81 PHE QD 1 82 VAL QG . . 3.180 2.360 2.087 3.132 . 0 0 "[ . 1 . 2]" 1
895 1 81 PHE QE 1 82 VAL HA . . 4.690 3.995 3.508 4.778 0.088 15 0 "[ . 1 . 2]" 1
896 1 81 PHE QE 1 82 VAL HB . . 4.930 4.867 3.616 5.029 0.099 11 0 "[ . 1 . 2]" 1
897 1 81 PHE QE 1 82 VAL QG . . 4.610 2.877 2.152 4.492 . 0 0 "[ . 1 . 2]" 1
898 1 81 PHE QE 1 85 CYS QB . . 5.500 3.982 3.130 4.611 . 0 0 "[ . 1 . 2]" 1
899 1 81 PHE HZ 1 85 CYS QB . . 5.500 4.415 3.432 5.194 . 0 0 "[ . 1 . 2]" 1
900 1 82 VAL H 1 82 VAL HB . . 3.740 2.641 2.352 3.381 . 0 0 "[ . 1 . 2]" 1
901 1 82 VAL H 1 82 VAL QG . . 3.670 2.084 1.749 2.491 . 0 0 "[ . 1 . 2]" 1
902 1 82 VAL H 1 83 THR H . . 3.720 2.698 2.384 2.916 . 0 0 "[ . 1 . 2]" 1
903 1 82 VAL HA 1 82 VAL QG . . 3.300 2.311 2.149 2.641 . 0 0 "[ . 1 . 2]" 1
904 1 82 VAL HA 1 85 CYS H . . 4.300 3.186 2.912 3.395 . 0 0 "[ . 1 . 2]" 1
905 1 82 VAL HA 1 85 CYS QB . . 3.430 2.568 2.163 3.382 . 0 0 "[ . 1 . 2]" 1
906 1 82 VAL HA 1 117 CYS HB2 . . 3.920 3.184 2.666 3.836 . 0 0 "[ . 1 . 2]" 1
907 1 82 VAL HB 1 83 THR H . . 4.030 3.168 2.632 4.120 0.090 1 0 "[ . 1 . 2]" 1
908 1 82 VAL HB 1 118 SER H . . 5.500 5.043 3.280 5.585 0.085 18 0 "[ . 1 . 2]" 1
909 1 82 VAL QG 1 83 THR H . . 3.640 3.018 2.248 3.395 . 0 0 "[ . 1 . 2]" 1
910 1 82 VAL QG 1 83 THR HA . . 4.910 3.665 3.321 4.092 . 0 0 "[ . 1 . 2]" 1
911 1 82 VAL QG 1 85 CYS QB . . 4.770 3.517 2.443 4.052 . 0 0 "[ . 1 . 2]" 1
912 1 82 VAL QG 1 86 ILE H . . 5.040 3.938 3.602 4.157 . 0 0 "[ . 1 . 2]" 1
913 1 82 VAL QG 1 86 ILE HA . . 5.500 5.133 4.685 5.458 . 0 0 "[ . 1 . 2]" 1
914 1 82 VAL QG 1 86 ILE HB . . 4.540 3.882 3.571 4.092 . 0 0 "[ . 1 . 2]" 1
915 1 82 VAL QG 1 86 ILE MD . . 3.420 2.172 1.908 2.518 . 0 0 "[ . 1 . 2]" 1
916 1 82 VAL QG 1 86 ILE HG13 . . 4.380 3.554 2.994 3.939 . 0 0 "[ . 1 . 2]" 1
917 1 82 VAL QG 1 113 VAL HA . . 5.500 5.359 4.928 5.466 . 0 0 "[ . 1 . 2]" 1
918 1 82 VAL QG 1 114 GLN HG2 . . 3.140 2.411 2.087 2.976 . 0 0 "[ . 1 . 2]" 1
919 1 82 VAL QG 1 117 CYS H . . 5.140 3.549 3.159 3.890 . 0 0 "[ . 1 . 2]" 1
920 1 82 VAL QG 1 117 CYS HB2 . . 4.210 2.259 1.913 2.947 . 0 0 "[ . 1 . 2]" 1
921 1 82 VAL QG 1 117 CYS HB3 . . 4.680 2.782 2.144 3.357 . 0 0 "[ . 1 . 2]" 1
922 1 82 VAL QG 1 118 SER H . . 5.400 3.001 2.658 4.371 . 0 0 "[ . 1 . 2]" 1
923 1 82 VAL QG 1 118 SER HA . . 3.710 2.900 2.359 3.688 . 0 0 "[ . 1 . 2]" 1
924 1 82 VAL QG 1 118 SER HB2 . . 4.160 3.059 2.175 4.058 . 0 0 "[ . 1 . 2]" 1
925 1 82 VAL QG 1 118 SER HB3 . . 5.340 3.468 1.971 4.879 . 0 0 "[ . 1 . 2]" 1
926 1 83 THR H 1 83 THR HB . . 3.610 2.373 2.148 2.551 . 0 0 "[ . 1 . 2]" 1
927 1 83 THR H 1 83 THR MG . . 4.220 3.686 3.605 3.757 . 0 0 "[ . 1 . 2]" 1
928 1 83 THR H 1 84 GLY H . . 3.290 2.990 2.773 3.267 . 0 0 "[ . 1 . 2]" 1
929 1 83 THR H 1 86 ILE MD . . 5.500 4.151 3.653 4.735 . 0 0 "[ . 1 . 2]" 1
930 1 83 THR H 1 86 ILE MG . . 5.500 5.590 5.504 5.608 0.108 15 0 "[ . 1 . 2]" 1
931 1 83 THR HA 1 83 THR MG . . 3.150 2.488 2.319 2.691 . 0 0 "[ . 1 . 2]" 1
932 1 83 THR HA 1 86 ILE H . . 4.380 3.305 2.955 3.798 . 0 0 "[ . 1 . 2]" 1
933 1 83 THR HA 1 86 ILE HB . . 3.700 2.398 2.087 2.960 . 0 0 "[ . 1 . 2]" 1
934 1 83 THR HA 1 86 ILE MD . . 3.800 2.897 2.391 3.552 . 0 0 "[ . 1 . 2]" 1
935 1 83 THR HA 1 86 ILE MG . . 4.520 3.349 3.138 3.538 . 0 0 "[ . 1 . 2]" 1
936 1 83 THR HA 1 87 ASN H . . 5.500 3.895 3.532 4.127 . 0 0 "[ . 1 . 2]" 1
937 1 83 THR HB 1 84 GLY H . . 3.380 2.677 2.420 2.965 . 0 0 "[ . 1 . 2]" 1
938 1 83 THR MG 1 84 GLY H . . 3.950 3.224 2.889 3.610 . 0 0 "[ . 1 . 2]" 1
939 1 83 THR MG 1 84 GLY HA2 . . 5.160 3.465 3.220 3.784 . 0 0 "[ . 1 . 2]" 1
940 1 83 THR MG 1 85 CYS H . . 4.780 4.883 4.861 4.894 0.114 4 0 "[ . 1 . 2]" 1
941 1 83 THR MG 1 87 ASN HD21 . . 3.770 2.902 2.279 3.836 0.066 4 0 "[ . 1 . 2]" 1
942 1 83 THR MG 1 87 ASN HD22 . . 3.480 2.356 1.979 2.789 . 0 0 "[ . 1 . 2]" 1
943 1 84 GLY H 1 87 ASN H . . 5.500 4.719 4.628 4.796 . 0 0 "[ . 1 . 2]" 1
944 1 84 GLY H 1 87 ASN HB2 . . 5.500 5.211 4.998 5.431 . 0 0 "[ . 1 . 2]" 1
945 1 84 GLY HA2 1 87 ASN H . . 4.940 3.452 3.255 3.707 . 0 0 "[ . 1 . 2]" 1
946 1 84 GLY HA2 1 87 ASN HB2 . . 4.500 2.663 2.454 2.923 . 0 0 "[ . 1 . 2]" 1
947 1 84 GLY HA2 1 87 ASN HB3 . . 4.270 4.265 4.058 4.342 0.072 11 0 "[ . 1 . 2]" 1
948 1 84 GLY HA2 1 87 ASN HD21 . . 4.830 2.567 2.008 3.415 . 0 0 "[ . 1 . 2]" 1
949 1 84 GLY HA2 1 87 ASN HD22 . . 5.320 3.835 3.112 4.855 . 0 0 "[ . 1 . 2]" 1
950 1 85 CYS H 1 85 CYS QB . . 3.780 2.293 2.047 2.891 . 0 0 "[ . 1 . 2]" 1
951 1 85 CYS H 1 86 ILE H . . 3.860 2.618 2.448 2.757 . 0 0 "[ . 1 . 2]" 1
952 1 85 CYS H 1 117 CYS HB3 . . 5.500 4.950 4.458 5.328 . 0 0 "[ . 1 . 2]" 1
953 1 85 CYS QB 1 86 ILE H . . 4.930 3.047 2.382 3.553 . 0 0 "[ . 1 . 2]" 1
954 1 86 ILE H 1 86 ILE HB . . 3.410 2.080 2.003 2.137 . 0 0 "[ . 1 . 2]" 1
955 1 86 ILE H 1 86 ILE MD . . 4.380 3.230 3.030 3.496 . 0 0 "[ . 1 . 2]" 1
956 1 86 ILE H 1 86 ILE HG12 . . 4.520 4.117 3.963 4.439 . 0 0 "[ . 1 . 2]" 1
957 1 86 ILE H 1 86 ILE HG13 . . 3.390 2.889 2.674 3.443 0.053 17 0 "[ . 1 . 2]" 1
958 1 86 ILE H 1 86 ILE MG . . 4.050 3.570 3.415 3.641 . 0 0 "[ . 1 . 2]" 1
959 1 86 ILE H 1 87 ASN H . . 3.730 2.653 2.522 2.849 . 0 0 "[ . 1 . 2]" 1
960 1 86 ILE H 1 87 ASN HA . . 5.500 5.345 5.270 5.473 . 0 0 "[ . 1 . 2]" 1
961 1 86 ILE H 1 88 ALA H . . 4.590 3.921 3.742 4.065 . 0 0 "[ . 1 . 2]" 1
962 1 86 ILE HA 1 86 ILE MD . . 3.850 3.623 3.587 3.657 . 0 0 "[ . 1 . 2]" 1
963 1 86 ILE HA 1 86 ILE HG12 . . 3.780 2.575 2.395 2.760 . 0 0 "[ . 1 . 2]" 1
964 1 86 ILE HA 1 86 ILE HG13 . . 3.870 2.198 2.119 2.284 . 0 0 "[ . 1 . 2]" 1
965 1 86 ILE HA 1 86 ILE MG . . 3.460 2.826 2.728 2.963 . 0 0 "[ . 1 . 2]" 1
966 1 86 ILE HA 1 89 THR H . . 4.390 3.044 2.827 3.262 . 0 0 "[ . 1 . 2]" 1
967 1 86 ILE HA 1 89 THR HB . . 3.810 3.365 3.050 3.677 . 0 0 "[ . 1 . 2]" 1
968 1 86 ILE HA 1 89 THR HG1 . . 5.350 5.336 5.191 5.436 0.086 13 0 "[ . 1 . 2]" 1
969 1 86 ILE HA 1 89 THR MG . . 4.310 1.919 1.851 1.991 . 0 0 "[ . 1 . 2]" 1
970 1 86 ILE HA 1 90 GLN H . . 5.500 3.501 3.364 3.754 . 0 0 "[ . 1 . 2]" 1
971 1 86 ILE HA 1 113 VAL QG . . 3.700 3.389 2.969 3.578 . 0 0 "[ . 1 . 2]" 1
972 1 86 ILE HB 1 86 ILE MD . . 3.270 2.167 2.133 2.209 . 0 0 "[ . 1 . 2]" 1
973 1 86 ILE HB 1 87 ASN H . . 3.580 2.888 2.809 2.955 . 0 0 "[ . 1 . 2]" 1
974 1 86 ILE MD 1 86 ILE MG . . 2.400 2.186 2.091 2.306 . 0 0 "[ . 1 . 2]" 1
975 1 86 ILE MD 1 87 ASN H . . 4.510 4.617 4.603 4.629 0.119 5 0 "[ . 1 . 2]" 1
976 1 86 ILE MD 1 90 GLN HE21 . . 5.500 5.474 4.974 5.605 0.105 4 0 "[ . 1 . 2]" 1
977 1 86 ILE MD 1 113 VAL QG . . 3.280 2.832 2.210 3.341 0.061 4 0 "[ . 1 . 2]" 1
978 1 86 ILE MD 1 114 GLN HA . . 3.410 2.636 2.154 3.325 . 0 0 "[ . 1 . 2]" 1
979 1 86 ILE MD 1 114 GLN HB2 . . 4.400 4.138 3.937 4.338 . 0 0 "[ . 1 . 2]" 1
980 1 86 ILE MD 1 114 GLN HG2 . . 4.030 2.446 2.161 2.765 . 0 0 "[ . 1 . 2]" 1
981 1 86 ILE MD 1 114 GLN HG3 . . 3.920 2.224 2.015 2.626 . 0 0 "[ . 1 . 2]" 1
982 1 86 ILE HG12 1 86 ILE MG . . 2.400 2.321 2.224 2.407 0.007 8 0 "[ . 1 . 2]" 1
983 1 86 ILE HG12 1 113 VAL QG . . 3.240 2.646 2.110 3.264 0.024 2 0 "[ . 1 . 2]" 1
984 1 86 ILE HG13 1 86 ILE MG . . 3.530 3.203 3.158 3.258 . 0 0 "[ . 1 . 2]" 1
985 1 86 ILE HG13 1 90 GLN H . . 5.500 5.576 5.542 5.586 0.086 11 0 "[ . 1 . 2]" 1
986 1 86 ILE HG13 1 113 VAL QG . . 4.100 2.549 2.235 2.787 . 0 0 "[ . 1 . 2]" 1
987 1 86 ILE MG 1 87 ASN H . . 4.210 2.867 2.420 3.160 . 0 0 "[ . 1 . 2]" 1
988 1 86 ILE MG 1 87 ASN HA . . 4.190 3.383 3.075 3.676 . 0 0 "[ . 1 . 2]" 1
989 1 86 ILE MG 1 89 THR MG . . 3.150 3.197 3.020 3.297 0.147 13 0 "[ . 1 . 2]" 1
990 1 86 ILE MG 1 90 GLN HE21 . . 4.310 2.460 1.959 2.986 . 0 0 "[ . 1 . 2]" 1
991 1 86 ILE MG 1 90 GLN HE22 . . 5.080 3.236 2.509 4.039 . 0 0 "[ . 1 . 2]" 1
992 1 86 ILE MG 1 90 GLN HG2 . . 4.210 4.117 3.701 4.297 0.087 1 0 "[ . 1 . 2]" 1
993 1 86 ILE MG 1 90 GLN HG3 . . 5.340 5.221 4.814 5.406 0.066 1 0 "[ . 1 . 2]" 1
994 1 86 ILE MG 1 110 TRP HE3 . . 5.190 3.909 3.152 4.685 . 0 0 "[ . 1 . 2]" 1
995 1 86 ILE MG 1 110 TRP HH2 . . 3.710 2.908 2.226 3.474 . 0 0 "[ . 1 . 2]" 1
996 1 86 ILE MG 1 110 TRP HZ2 . . 4.720 3.788 2.474 4.815 0.095 15 0 "[ . 1 . 2]" 1
997 1 86 ILE MG 1 110 TRP HZ3 . . 3.720 2.827 1.985 3.813 0.093 18 0 "[ . 1 . 2]" 1
998 1 87 ASN H 1 87 ASN HB2 . . 3.600 2.557 2.385 2.707 . 0 0 "[ . 1 . 2]" 1
999 1 87 ASN H 1 87 ASN HB3 . . 3.750 3.686 3.613 3.751 0.001 19 0 "[ . 1 . 2]" 1
1000 1 87 ASN H 1 87 ASN HD21 . . 4.440 2.998 2.048 3.970 . 0 0 "[ . 1 . 2]" 1
1001 1 87 ASN H 1 87 ASN HD22 . . 5.480 3.977 3.386 4.374 . 0 0 "[ . 1 . 2]" 1
1002 1 87 ASN H 1 88 ALA H . . 2.880 2.739 2.609 2.879 . 0 0 "[ . 1 . 2]" 1
1003 1 87 ASN H 1 88 ALA HA . . 5.430 5.389 5.286 5.487 0.057 5 0 "[ . 1 . 2]" 1
1004 1 87 ASN H 1 88 ALA MB . . 4.920 4.355 4.153 4.552 . 0 0 "[ . 1 . 2]" 1
1005 1 87 ASN HA 1 88 ALA MB . . 5.500 4.938 4.752 5.020 . 0 0 "[ . 1 . 2]" 1
1006 1 87 ASN HA 1 89 THR H . . 5.500 4.854 4.686 5.060 . 0 0 "[ . 1 . 2]" 1
1007 1 87 ASN HA 1 90 GLN H . . 3.880 3.904 3.747 3.955 0.075 15 0 "[ . 1 . 2]" 1
1008 1 87 ASN HA 1 90 GLN QB . . 3.970 3.876 2.463 4.051 0.081 17 0 "[ . 1 . 2]" 1
1009 1 87 ASN HA 1 90 GLN HE21 . . 5.270 2.724 2.084 4.188 . 0 0 "[ . 1 . 2]" 1
1010 1 87 ASN HA 1 91 ALA H . . 4.830 4.802 4.356 4.903 0.073 8 0 "[ . 1 . 2]" 1
1011 1 87 ASN HA 1 91 ALA MB . . 5.080 5.055 4.762 5.177 0.097 16 0 "[ . 1 . 2]" 1
1012 1 87 ASN HB2 1 88 ALA H . . 4.080 2.986 2.769 3.352 . 0 0 "[ . 1 . 2]" 1
1013 1 87 ASN HB3 1 87 ASN HD21 . . 3.660 3.204 2.778 3.606 . 0 0 "[ . 1 . 2]" 1
1014 1 87 ASN HB3 1 88 ALA H . . 4.000 3.817 3.570 4.086 0.086 7 0 "[ . 1 . 2]" 1
1015 1 87 ASN HD21 1 88 ALA MB . . 5.500 5.603 5.580 5.617 0.117 14 0 "[ . 1 . 2]" 1
1016 1 88 ALA H 1 88 ALA MB . . 3.090 2.212 2.134 2.374 . 0 0 "[ . 1 . 2]" 1
1017 1 88 ALA H 1 89 THR H . . 2.470 2.507 2.305 2.550 0.080 17 0 "[ . 1 . 2]" 1
1018 1 88 ALA HA 1 90 GLN H . . 4.520 4.579 4.532 4.596 0.076 10 0 "[ . 1 . 2]" 1
1019 1 88 ALA HA 1 91 ALA H . . 4.140 3.923 3.680 4.210 0.070 7 0 "[ . 1 . 2]" 1
1020 1 88 ALA HA 1 92 ALA H . . 5.190 4.809 4.498 5.223 0.033 6 0 "[ . 1 . 2]" 1
1021 1 88 ALA MB 1 89 THR H . . 3.390 2.432 2.276 2.624 . 0 0 "[ . 1 . 2]" 1
1022 1 88 ALA MB 1 89 THR HG1 . . 5.380 5.063 4.818 5.402 0.022 12 0 "[ . 1 . 2]" 1
1023 1 89 THR H 1 89 THR HB . . 3.350 2.314 2.191 2.462 . 0 0 "[ . 1 . 2]" 1
1024 1 89 THR H 1 89 THR MG . . 4.070 2.609 2.314 2.867 . 0 0 "[ . 1 . 2]" 1
1025 1 89 THR H 1 90 GLN H . . 3.860 2.832 2.610 2.982 . 0 0 "[ . 1 . 2]" 1
1026 1 89 THR HA 1 89 THR HB . . 2.710 2.572 2.503 2.620 . 0 0 "[ . 1 . 2]" 1
1027 1 89 THR HA 1 89 THR MG . . 3.450 3.209 3.179 3.233 . 0 0 "[ . 1 . 2]" 1
1028 1 89 THR HA 1 90 GLN HA . . 5.500 4.809 4.716 5.009 . 0 0 "[ . 1 . 2]" 1
1029 1 89 THR HA 1 92 ALA H . . 3.890 2.813 2.603 3.049 . 0 0 "[ . 1 . 2]" 1
1030 1 89 THR HA 1 92 ALA MB . . 3.300 2.087 1.986 2.205 . 0 0 "[ . 1 . 2]" 1
1031 1 89 THR HB 1 90 GLN H . . 4.110 3.953 3.815 4.057 . 0 0 "[ . 1 . 2]" 1
1032 1 89 THR HB 1 92 ALA MB . . 4.020 4.060 3.800 4.116 0.096 6 0 "[ . 1 . 2]" 1
1033 1 89 THR HB 1 93 ASN QD . . 4.610 4.186 4.050 4.331 . 0 0 "[ . 1 . 2]" 1
1034 1 89 THR HB 1 113 VAL QG . . 3.910 3.322 2.965 3.564 . 0 0 "[ . 1 . 2]" 1
1035 1 89 THR HG1 1 97 PHE QE . . 4.690 4.301 3.592 4.762 0.072 18 0 "[ . 1 . 2]" 1
1036 1 89 THR HG1 1 113 VAL QG . . 4.640 3.703 3.459 3.981 . 0 0 "[ . 1 . 2]" 1
1037 1 89 THR MG 1 90 GLN H . . 4.700 2.156 1.999 2.389 . 0 0 "[ . 1 . 2]" 1
1038 1 89 THR MG 1 90 GLN HA . . 4.570 3.193 2.978 3.461 . 0 0 "[ . 1 . 2]" 1
1039 1 89 THR MG 1 92 ALA H . . 4.400 4.501 4.488 4.514 0.114 10 0 "[ . 1 . 2]" 1
1040 1 89 THR MG 1 93 ASN QD . . 4.190 3.175 2.751 3.800 . 0 0 "[ . 1 . 2]" 1
1041 1 89 THR MG 1 97 PHE QE . . 3.340 2.532 2.249 3.157 . 0 0 "[ . 1 . 2]" 1
1042 1 89 THR MG 1 97 PHE HZ . . 3.330 2.236 2.084 2.723 . 0 0 "[ . 1 . 2]" 1
1043 1 89 THR MG 1 113 VAL QG . . 2.880 2.023 1.918 2.134 . 0 0 "[ . 1 . 2]" 1
1044 1 90 GLN H 1 90 GLN HG2 . . 4.250 2.454 2.182 4.329 0.079 5 0 "[ . 1 . 2]" 1
1045 1 90 GLN H 1 91 ALA H . . 4.030 2.785 2.674 2.939 . 0 0 "[ . 1 . 2]" 1
1046 1 90 GLN H 1 91 ALA MB . . 4.850 4.446 4.289 4.595 . 0 0 "[ . 1 . 2]" 1
1047 1 90 GLN HA 1 92 ALA H . . 5.500 4.055 3.779 4.318 . 0 0 "[ . 1 . 2]" 1
1048 1 90 GLN HA 1 92 ALA MB . . 5.020 4.911 4.689 5.104 0.084 18 0 "[ . 1 . 2]" 1
1049 1 90 GLN HA 1 97 PHE QD . . 4.580 2.762 2.312 3.379 . 0 0 "[ . 1 . 2]" 1
1050 1 90 GLN HA 1 97 PHE QE . . 4.510 2.658 2.147 3.162 . 0 0 "[ . 1 . 2]" 1
1051 1 90 GLN HA 1 97 PHE HZ . . 4.730 4.230 3.609 4.800 0.070 10 0 "[ . 1 . 2]" 1
1052 1 90 GLN QB 1 91 ALA H . . 3.820 3.521 2.390 3.825 0.005 10 0 "[ . 1 . 2]" 1
1053 1 90 GLN QB 1 91 ALA HA . . 5.500 4.637 4.382 4.808 . 0 0 "[ . 1 . 2]" 1
1054 1 90 GLN QB 1 91 ALA MB . . 4.430 4.424 3.651 4.548 0.118 10 0 "[ . 1 . 2]" 1
1055 1 90 GLN QB 1 92 ALA H . . 5.390 4.925 4.396 5.086 . 0 0 "[ . 1 . 2]" 1
1056 1 90 GLN QB 1 97 PHE QD . . 4.810 3.951 3.385 4.907 0.097 5 0 "[ . 1 . 2]" 1
1057 1 90 GLN QB 1 110 TRP HH2 . . 4.970 2.681 2.082 3.695 . 0 0 "[ . 1 . 2]" 1
1058 1 90 GLN HG2 1 91 ALA MB . . 4.870 3.718 3.250 4.756 . 0 0 "[ . 1 . 2]" 1
1059 1 90 GLN HG2 1 110 TRP HH2 . . 5.270 4.877 4.252 5.343 0.073 11 0 "[ . 1 . 2]" 1
1060 1 90 GLN HG3 1 91 ALA MB . . 3.950 3.118 2.664 4.034 0.084 5 0 "[ . 1 . 2]" 1
1061 1 91 ALA H 1 91 ALA MB . . 3.230 2.234 2.112 2.384 . 0 0 "[ . 1 . 2]" 1
1062 1 91 ALA H 1 92 ALA H . . 3.570 2.408 2.020 2.617 . 0 0 "[ . 1 . 2]" 1
1063 1 91 ALA H 1 92 ALA HA . . 5.500 5.006 4.710 5.245 . 0 0 "[ . 1 . 2]" 1
1064 1 91 ALA H 1 92 ALA MB . . 4.210 4.171 3.841 4.302 0.092 5 0 "[ . 1 . 2]" 1
1065 1 91 ALA HA 1 93 ASN H . . 5.500 4.191 3.781 4.737 . 0 0 "[ . 1 . 2]" 1
1066 1 91 ALA HA 1 94 GLN H . . 4.430 3.952 3.596 4.346 . 0 0 "[ . 1 . 2]" 1
1067 1 91 ALA HA 1 94 GLN HB2 . . 4.430 4.502 4.453 4.519 0.089 13 0 "[ . 1 . 2]" 1
1068 1 91 ALA HA 1 94 GLN HE21 . . 4.160 3.051 2.190 4.231 0.071 2 0 "[ . 1 . 2]" 1
1069 1 91 ALA HA 1 94 GLN HE22 . . 5.500 4.205 3.585 4.832 . 0 0 "[ . 1 . 2]" 1
1070 1 91 ALA HA 1 94 GLN HG2 . . 4.320 2.147 1.972 2.481 . 0 0 "[ . 1 . 2]" 1
1071 1 91 ALA HA 1 94 GLN HG3 . . 4.410 3.173 2.221 3.764 . 0 0 "[ . 1 . 2]" 1
1072 1 91 ALA MB 1 92 ALA H . . 3.400 3.106 2.723 3.384 . 0 0 "[ . 1 . 2]" 1
1073 1 91 ALA MB 1 92 ALA HA . . 4.260 4.091 3.880 4.324 0.064 11 0 "[ . 1 . 2]" 1
1074 1 91 ALA MB 1 93 ASN H . . 4.880 4.741 4.320 4.976 0.096 1 0 "[ . 1 . 2]" 1
1075 1 91 ALA MB 1 94 GLN HE22 . . 5.500 4.780 4.064 5.560 0.060 16 0 "[ . 1 . 2]" 1
1076 1 91 ALA MB 1 94 GLN HG2 . . 5.500 3.761 3.470 4.064 . 0 0 "[ . 1 . 2]" 1
1077 1 91 ALA MB 1 94 GLN HG3 . . 5.300 4.241 3.585 4.820 . 0 0 "[ . 1 . 2]" 1
1078 1 92 ALA H 1 92 ALA MB . . 2.840 2.322 2.238 2.381 . 0 0 "[ . 1 . 2]" 1
1079 1 92 ALA H 1 93 ASN H . . 3.450 2.451 2.192 2.666 . 0 0 "[ . 1 . 2]" 1
1080 1 92 ALA HA 1 93 ASN HA . . 5.220 4.633 4.596 4.705 . 0 0 "[ . 1 . 2]" 1
1081 1 92 ALA MB 1 93 ASN H . . 3.590 2.608 2.162 3.113 . 0 0 "[ . 1 . 2]" 1
1082 1 92 ALA MB 1 93 ASN HA . . 4.760 4.089 3.840 4.245 . 0 0 "[ . 1 . 2]" 1
1083 1 92 ALA MB 1 93 ASN QD . . 4.280 2.422 1.871 2.829 . 0 0 "[ . 1 . 2]" 1
1084 1 93 ASN H 1 93 ASN HB2 . . 3.710 3.139 2.565 3.905 0.195 7 0 "[ . 1 . 2]" 1
1085 1 93 ASN H 1 93 ASN QD . . 5.070 2.835 2.364 3.517 . 0 0 "[ . 1 . 2]" 1
1086 1 93 ASN H 1 94 GLN H . . 3.570 3.118 2.566 3.366 . 0 0 "[ . 1 . 2]" 1
1087 1 93 ASN H 1 94 GLN HA . . 4.760 4.364 4.112 4.604 . 0 0 "[ . 1 . 2]" 1
1088 1 93 ASN HA 1 94 GLN HA . . 5.500 4.717 4.599 4.828 . 0 0 "[ . 1 . 2]" 1
1089 1 93 ASN HA 1 94 GLN HG2 . . 5.290 5.224 4.980 5.936 0.646 18 2 "[ . -1 . + 2]" 1
1090 1 93 ASN HA 1 96 GLU QB . . 5.330 3.787 2.549 5.201 . 0 0 "[ . 1 . 2]" 1
1091 1 93 ASN HA 1 97 PHE QD . . 5.500 4.932 4.513 5.330 . 0 0 "[ . 1 . 2]" 1
1092 1 93 ASN HA 1 97 PHE QE . . 5.500 5.296 4.749 5.594 0.094 1 0 "[ . 1 . 2]" 1
1093 1 93 ASN HB2 1 96 GLU H . . 5.030 3.823 3.187 4.527 . 0 0 "[ . 1 . 2]" 1
1094 1 93 ASN HB2 1 97 PHE QD . . 5.430 3.257 2.252 4.936 . 0 0 "[ . 1 . 2]" 1
1095 1 93 ASN HB3 1 97 PHE QD . . 5.190 4.564 2.692 5.505 0.315 7 0 "[ . 1 . 2]" 1
1096 1 93 ASN HB3 1 97 PHE QE . . 5.270 4.509 3.277 5.163 . 0 0 "[ . 1 . 2]" 1
1097 1 93 ASN QD 1 97 PHE H . . 5.310 5.178 4.995 5.231 . 0 0 "[ . 1 . 2]" 1
1098 1 94 GLN H 1 94 GLN HB2 . . 2.940 2.305 2.024 2.535 . 0 0 "[ . 1 . 2]" 1
1099 1 94 GLN H 1 94 GLN HB3 . . 3.530 3.559 3.391 3.604 0.074 18 0 "[ . 1 . 2]" 1
1100 1 94 GLN H 1 94 GLN HG2 . . 4.190 2.676 2.275 3.435 . 0 0 "[ . 1 . 2]" 1
1101 1 94 GLN H 1 94 GLN HG3 . . 4.000 3.501 2.524 3.879 . 0 0 "[ . 1 . 2]" 1
1102 1 94 GLN H 1 95 GLY H . . 4.050 2.920 2.627 3.326 . 0 0 "[ . 1 . 2]" 1
1103 1 94 GLN H 1 96 GLU H . . 4.500 4.290 4.103 4.555 0.055 20 0 "[ . 1 . 2]" 1
1104 1 94 GLN HA 1 94 GLN HE21 . . 4.450 3.036 1.800 4.536 0.086 19 0 "[ . 1 . 2]" 1
1105 1 94 GLN HA 1 94 GLN HG2 . . 3.300 2.685 2.083 2.939 . 0 0 "[ . 1 . 2]" 1
1106 1 94 GLN HA 1 94 GLN HG3 . . 3.810 3.670 3.296 3.880 0.070 13 0 "[ . 1 . 2]" 1
1107 1 94 GLN HA 1 96 GLU H . . 3.650 3.709 3.568 3.745 0.095 1 0 "[ . 1 . 2]" 1
1108 1 94 GLN HA 1 97 PHE H . . 5.140 3.729 3.134 4.353 . 0 0 "[ . 1 . 2]" 1
1109 1 94 GLN HA 1 97 PHE HB2 . . 4.570 3.493 2.881 4.496 . 0 0 "[ . 1 . 2]" 1
1110 1 94 GLN HA 1 97 PHE QD . . 4.120 3.406 2.683 4.166 0.046 19 0 "[ . 1 . 2]" 1
1111 1 94 GLN HA 1 98 GLN H . . 5.500 4.519 3.475 5.553 0.053 14 0 "[ . 1 . 2]" 1
1112 1 94 GLN HB2 1 95 GLY H . . 5.500 2.657 2.296 2.866 . 0 0 "[ . 1 . 2]" 1
1113 1 94 GLN HB2 1 95 GLY HA3 . . 5.140 4.713 4.383 5.106 . 0 0 "[ . 1 . 2]" 1
1114 1 94 GLN HB3 1 95 GLY H . . 5.500 3.267 2.641 3.806 . 0 0 "[ . 1 . 2]" 1
1115 1 94 GLN HE21 1 94 GLN HG2 . . 3.500 2.479 2.186 3.544 0.044 2 0 "[ . 1 . 2]" 1
1116 1 94 GLN HG2 1 95 GLY H . . 4.930 4.682 4.412 4.953 0.023 9 0 "[ . 1 . 2]" 1
1117 1 94 GLN HG3 1 95 GLY H . . 4.910 4.849 4.372 4.997 0.087 19 0 "[ . 1 . 2]" 1
1118 1 95 GLY H 1 96 GLU H . . 4.000 3.046 2.799 3.445 . 0 0 "[ . 1 . 2]" 1
1119 1 95 GLY HA2 1 97 PHE H . . 5.500 4.917 4.432 5.476 . 0 0 "[ . 1 . 2]" 1
1120 1 95 GLY HA2 1 98 GLN H . . 4.300 3.875 3.316 4.370 0.070 13 0 "[ . 1 . 2]" 1
1121 1 95 GLY HA3 1 98 GLN H . . 5.500 5.143 4.738 5.565 0.065 3 0 "[ . 1 . 2]" 1
1122 1 96 GLU H 1 96 GLU QB . . 3.430 2.337 2.087 2.867 . 0 0 "[ . 1 . 2]" 1
1123 1 96 GLU H 1 96 GLU HG2 . . 3.930 3.983 2.835 4.502 0.572 15 2 "[ . 1 +- 2]" 1
1124 1 96 GLU H 1 96 GLU HG3 . . 4.410 4.346 3.959 4.497 0.087 1 0 "[ . 1 . 2]" 1
1125 1 96 GLU H 1 97 PHE H . . 2.540 2.200 1.965 2.443 . 0 0 "[ . 1 . 2]" 1
1126 1 96 GLU H 1 97 PHE QD . . 5.500 3.955 3.604 4.226 . 0 0 "[ . 1 . 2]" 1
1127 1 96 GLU HA 1 96 GLU HG2 . . 3.600 3.453 2.405 3.700 0.100 16 0 "[ . 1 . 2]" 1
1128 1 96 GLU HA 1 96 GLU HG3 . . 3.610 2.891 2.501 3.700 0.090 7 0 "[ . 1 . 2]" 1
1129 1 96 GLU HA 1 97 PHE QD . . 5.500 5.569 5.265 5.608 0.108 3 0 "[ . 1 . 2]" 1
1130 1 96 GLU HA 1 99 LYS H . . 5.500 4.833 3.303 5.568 0.068 4 0 "[ . 1 . 2]" 1
1131 1 96 GLU HA 1 99 LYS QD . . 4.570 3.802 2.589 4.661 0.091 2 0 "[ . 1 . 2]" 1
1132 1 96 GLU HA 1 99 LYS QE . . 4.460 3.010 1.933 4.525 0.065 2 0 "[ . 1 . 2]" 1
1133 1 96 GLU QB 1 97 PHE H . . 4.250 2.711 2.077 3.274 . 0 0 "[ . 1 . 2]" 1
1134 1 96 GLU QB 1 97 PHE QD . . 4.460 3.824 3.195 4.544 0.084 5 0 "[ . 1 . 2]" 1
1135 1 96 GLU QB 1 109 LEU QD . . 4.520 3.704 2.107 4.483 . 0 0 "[ . 1 . 2]" 1
1136 1 96 GLU HG2 1 109 LEU QD . . 4.710 3.227 2.397 4.408 . 0 0 "[ . 1 . 2]" 1
1137 1 96 GLU HG3 1 109 LEU QD . . 5.470 3.264 2.202 3.991 . 0 0 "[ . 1 . 2]" 1
1138 1 97 PHE H 1 97 PHE HB2 . . 3.900 2.483 2.359 2.776 . 0 0 "[ . 1 . 2]" 1
1139 1 97 PHE H 1 97 PHE QD . . 4.880 2.530 2.158 3.021 . 0 0 "[ . 1 . 2]" 1
1140 1 97 PHE H 1 98 GLN H . . 3.700 2.858 2.481 3.307 . 0 0 "[ . 1 . 2]" 1
1141 1 97 PHE H 1 98 GLN HA . . 5.500 5.421 5.107 5.583 0.083 4 0 "[ . 1 . 2]" 1
1142 1 97 PHE HA 1 97 PHE QD . . 3.900 2.649 2.293 3.004 . 0 0 "[ . 1 . 2]" 1
1143 1 97 PHE HA 1 97 PHE QE . . 4.700 4.602 4.279 4.781 0.081 10 0 "[ . 1 . 2]" 1
1144 1 97 PHE HA 1 109 LEU QD . . 4.120 3.275 2.592 4.057 . 0 0 "[ . 1 . 2]" 1
1145 1 97 PHE HB2 1 98 GLN H . . 5.280 3.395 2.321 4.177 . 0 0 "[ . 1 . 2]" 1
1146 1 97 PHE QD 1 98 GLN H . . 5.500 4.620 4.149 5.020 . 0 0 "[ . 1 . 2]" 1
1147 1 97 PHE QD 1 109 LEU HB3 . . 4.310 3.772 2.815 4.396 0.086 11 0 "[ . 1 . 2]" 1
1148 1 97 PHE QD 1 109 LEU QD . . 4.690 2.690 2.176 3.193 . 0 0 "[ . 1 . 2]" 1
1149 1 97 PHE QD 1 109 LEU HG . . 4.730 4.451 3.406 4.837 0.107 6 0 "[ . 1 . 2]" 1
1150 1 97 PHE QD 1 113 VAL QG . . 5.300 4.758 4.274 5.116 . 0 0 "[ . 1 . 2]" 1
1151 1 97 PHE QE 1 109 LEU HB3 . . 5.430 3.160 2.329 3.718 . 0 0 "[ . 1 . 2]" 1
1152 1 97 PHE QE 1 109 LEU QD . . 4.100 2.492 1.990 3.037 . 0 0 "[ . 1 . 2]" 1
1153 1 97 PHE HZ 1 109 LEU HB3 . . 5.500 5.179 4.647 5.566 0.066 10 0 "[ . 1 . 2]" 1
1154 1 97 PHE HZ 1 109 LEU QD . . 4.740 3.251 2.964 3.545 . 0 0 "[ . 1 . 2]" 1
1155 1 97 PHE HZ 1 113 VAL HB . . 4.480 4.133 3.229 4.557 0.077 14 0 "[ . 1 . 2]" 1
1156 1 97 PHE HZ 1 113 VAL QG . . 3.730 2.583 1.957 3.117 . 0 0 "[ . 1 . 2]" 1
1157 1 98 GLN H 1 98 GLN HB2 . . 3.840 2.763 2.170 4.012 0.172 1 0 "[ . 1 . 2]" 1
1158 1 98 GLN H 1 98 GLN HG2 . . 4.000 3.633 2.632 4.291 0.291 10 0 "[ . 1 . 2]" 1
1159 1 98 GLN H 1 98 GLN HG3 . . 4.270 3.141 2.303 4.350 0.080 3 0 "[ . 1 . 2]" 1
1160 1 98 GLN H 1 99 LYS H . . 3.650 3.134 2.246 3.738 0.088 18 0 "[ . 1 . 2]" 1
1161 1 98 GLN HA 1 98 GLN HG2 . . 3.400 2.722 2.101 4.010 0.610 18 2 "[ . 1- . + 2]" 1
1162 1 98 GLN HA 1 98 GLN HG3 . . 3.940 3.243 2.398 3.717 . 0 0 "[ . 1 . 2]" 1
1163 1 98 GLN HA 1 99 LYS H . . 3.420 2.805 2.171 3.507 0.087 14 0 "[ . 1 . 2]" 1
1164 1 98 GLN HB2 1 98 GLN HE22 . . 5.500 4.593 3.533 5.293 . 0 0 "[ . 1 . 2]" 1
1165 1 98 GLN HB2 1 98 GLN HG2 . . 2.980 2.955 2.662 3.055 0.075 19 0 "[ . 1 . 2]" 1
1166 1 98 GLN HB2 1 98 GLN HG3 . . 3.040 2.468 2.169 2.898 . 0 0 "[ . 1 . 2]" 1
1167 1 98 GLN HB2 1 99 LYS H . . 5.140 4.060 2.129 4.635 . 0 0 "[ . 1 . 2]" 1
1168 1 98 GLN HB3 1 98 GLN HG2 . . 2.840 2.558 2.214 2.956 0.116 4 0 "[ . 1 . 2]" 1
1169 1 98 GLN HB3 1 99 LYS H . . 4.730 4.092 2.184 4.733 0.003 1 0 "[ . 1 . 2]" 1
1170 1 98 GLN HE21 1 98 GLN HG2 . . 3.390 2.752 2.207 3.628 0.238 18 0 "[ . 1 . 2]" 1
1171 1 99 LYS H 1 99 LYS QB . . 3.790 2.549 2.077 3.367 . 0 0 "[ . 1 . 2]" 1
1172 1 99 LYS H 1 99 LYS QD . . 4.560 4.012 2.740 4.591 0.031 20 0 "[ . 1 . 2]" 1
1173 1 99 LYS H 1 99 LYS HG2 . . 5.040 3.199 1.993 4.791 . 0 0 "[ . 1 . 2]" 1
1174 1 99 LYS H 1 99 LYS HG3 . . 4.440 3.672 2.541 4.460 0.020 8 0 "[ . 1 . 2]" 1
1175 1 99 LYS H 1 100 PRO HA . . 5.500 5.392 5.052 5.576 0.076 20 0 "[ . 1 . 2]" 1
1176 1 99 LYS H 1 100 PRO HD2 . . 5.500 4.982 4.669 5.295 . 0 0 "[ . 1 . 2]" 1
1177 1 99 LYS H 1 100 PRO HD3 . . 5.410 4.911 4.024 5.268 . 0 0 "[ . 1 . 2]" 1
1178 1 99 LYS H 1 101 ASP H . . 5.500 5.065 4.646 5.574 0.074 15 0 "[ . 1 . 2]" 1
1179 1 99 LYS HA 1 99 LYS QD . . 4.690 3.128 2.017 4.496 . 0 0 "[ . 1 . 2]" 1
1180 1 99 LYS HA 1 99 LYS QE . . 5.500 3.866 1.948 5.428 . 0 0 "[ . 1 . 2]" 1
1181 1 99 LYS HA 1 100 PRO HD2 . . 3.260 2.744 2.345 3.322 0.062 7 0 "[ . 1 . 2]" 1
1182 1 99 LYS HA 1 100 PRO HD3 . . 3.210 2.315 2.071 2.586 . 0 0 "[ . 1 . 2]" 1
1183 1 99 LYS HA 1 100 PRO HG2 . . 4.760 4.724 4.518 5.061 0.301 5 0 "[ . 1 . 2]" 1
1184 1 99 LYS HA 1 101 ASP H . . 4.530 4.140 3.808 4.455 . 0 0 "[ . 1 . 2]" 1
1185 1 99 LYS QB 1 99 LYS QD . . 2.400 2.264 2.062 2.421 0.021 10 0 "[ . 1 . 2]" 1
1186 1 99 LYS QB 1 99 LYS QE . . 3.930 3.326 2.137 3.758 . 0 0 "[ . 1 . 2]" 1
1187 1 99 LYS QB 1 99 LYS HG3 . . 2.770 2.257 2.122 2.544 . 0 0 "[ . 1 . 2]" 1
1188 1 99 LYS QB 1 100 PRO HD2 . . 4.040 2.229 2.054 2.686 . 0 0 "[ . 1 . 2]" 1
1189 1 99 LYS QB 1 100 PRO HD3 . . 4.140 3.296 2.371 3.731 . 0 0 "[ . 1 . 2]" 1
1190 1 99 LYS QD 1 99 LYS HG2 . . 2.400 2.383 2.149 2.489 0.089 7 0 "[ . 1 . 2]" 1
1191 1 99 LYS QD 1 99 LYS HG3 . . 2.400 2.313 2.124 2.462 0.062 3 0 "[ . 1 . 2]" 1
1192 1 99 LYS QE 1 99 LYS HG3 . . 3.680 2.734 2.299 3.355 . 0 0 "[ . 1 . 2]" 1
1193 1 99 LYS HG2 1 101 ASP H . . 5.340 4.997 3.625 5.723 0.383 7 0 "[ . 1 . 2]" 1
1194 1 99 LYS HG3 1 100 PRO HD2 . . 4.640 4.213 2.339 5.035 0.395 7 0 "[ . 1 . 2]" 1
1195 1 100 PRO HA 1 101 ASP H . . 3.400 3.433 3.303 3.482 0.082 14 0 "[ . 1 . 2]" 1
1196 1 100 PRO HB2 1 101 ASP H . . 4.650 3.691 2.776 4.278 . 0 0 "[ . 1 . 2]" 1
1197 1 100 PRO HB3 1 101 ASP H . . 4.600 4.336 4.025 4.578 . 0 0 "[ . 1 . 2]" 1
1198 1 100 PRO HD2 1 101 ASP H . . 5.500 2.644 1.846 3.190 . 0 0 "[ . 1 . 2]" 1
1199 1 100 PRO HG2 1 101 ASP H . . 4.360 3.074 2.436 4.376 0.016 7 0 "[ . 1 . 2]" 1
1200 1 100 PRO HG3 1 101 ASP H . . 4.550 4.320 3.752 4.628 0.078 7 0 "[ . 1 . 2]" 1
1201 1 101 ASP H 1 101 ASP HB2 . . 4.030 2.932 2.250 3.716 . 0 0 "[ . 1 . 2]" 1
1202 1 101 ASP H 1 101 ASP HB3 . . 4.050 3.317 2.294 3.883 . 0 0 "[ . 1 . 2]" 1
1203 1 101 ASP H 1 102 ASN H . . 3.280 2.997 2.234 3.362 0.082 7 0 "[ . 1 . 2]" 1
1204 1 101 ASP HA 1 102 ASN H . . 3.630 3.043 2.159 3.623 . 0 0 "[ . 1 . 2]" 1
1205 1 101 ASP HB3 1 102 ASN H . . 4.590 3.379 1.982 4.625 0.035 11 0 "[ . 1 . 2]" 1
1206 1 102 ASN H 1 102 ASN HB2 . . 4.100 3.286 2.302 3.877 . 0 0 "[ . 1 . 2]" 1
1207 1 102 ASN H 1 103 LYS H . . 4.020 3.379 2.179 4.111 0.091 10 0 "[ . 1 . 2]" 1
1208 1 102 ASN HA 1 103 LYS H . . 3.420 2.752 1.983 3.332 . 0 0 "[ . 1 . 2]" 1
1209 1 102 ASN HA 1 104 LEU H . . 5.500 5.074 3.470 5.592 0.092 18 0 "[ . 1 . 2]" 1
1210 1 102 ASN HB2 1 103 LYS H . . 5.140 4.217 3.167 4.666 . 0 0 "[ . 1 . 2]" 1
1211 1 102 ASN HB3 1 102 ASN HD22 . . 3.990 3.807 3.485 4.094 0.104 10 0 "[ . 1 . 2]" 1
1212 1 102 ASN HB3 1 103 LYS H . . 5.500 4.045 1.917 4.708 . 0 0 "[ . 1 . 2]" 1
1213 1 103 LYS H 1 103 LYS HB2 . . 3.610 2.638 2.198 3.408 . 0 0 "[ . 1 . 2]" 1
1214 1 103 LYS H 1 103 LYS HB3 . . 3.680 2.756 2.274 3.279 . 0 0 "[ . 1 . 2]" 1
1215 1 103 LYS H 1 103 LYS QD . . 4.950 4.496 4.240 4.854 . 0 0 "[ . 1 . 2]" 1
1216 1 103 LYS H 1 103 LYS HG2 . . 4.830 4.476 3.885 4.907 0.077 9 0 "[ . 1 . 2]" 1
1217 1 103 LYS H 1 103 LYS HG3 . . 4.610 4.567 4.325 4.909 0.299 10 0 "[ . 1 . 2]" 1
1218 1 103 LYS H 1 104 LEU H . . 3.970 3.151 2.379 3.796 . 0 0 "[ . 1 . 2]" 1
1219 1 103 LYS HA 1 103 LYS QD . . 4.210 2.582 2.042 3.527 . 0 0 "[ . 1 . 2]" 1
1220 1 103 LYS HA 1 103 LYS QE . . 4.290 4.039 3.539 4.360 0.070 7 0 "[ . 1 . 2]" 1
1221 1 103 LYS HA 1 103 LYS HG2 . . 4.060 2.920 2.227 3.898 . 0 0 "[ . 1 . 2]" 1
1222 1 103 LYS HA 1 103 LYS HG3 . . 3.980 3.570 3.432 3.780 . 0 0 "[ . 1 . 2]" 1
1223 1 103 LYS HB2 1 103 LYS QD . . 3.370 3.168 2.630 3.450 0.080 6 0 "[ . 1 . 2]" 1
1224 1 103 LYS HB2 1 103 LYS QE . . 4.560 3.914 2.964 4.529 . 0 0 "[ . 1 . 2]" 1
1225 1 103 LYS HB2 1 104 LEU H . . 4.120 3.519 3.178 4.047 . 0 0 "[ . 1 . 2]" 1
1226 1 103 LYS HB2 1 104 LEU QD . . 5.500 4.703 3.663 5.396 . 0 0 "[ . 1 . 2]" 1
1227 1 103 LYS HB3 1 103 LYS QD . . 3.380 2.881 2.329 3.461 0.081 2 0 "[ . 1 . 2]" 1
1228 1 103 LYS HB3 1 103 LYS QE . . 4.010 4.077 3.926 4.122 0.112 16 0 "[ . 1 . 2]" 1
1229 1 103 LYS HB3 1 104 LEU H . . 4.260 2.050 1.727 2.686 . 0 0 "[ . 1 . 2]" 1
1230 1 103 LYS HB3 1 104 LEU QD . . 5.500 3.625 2.242 4.507 . 0 0 "[ . 1 . 2]" 1
1231 1 103 LYS QD 1 103 LYS HG3 . . 2.510 2.314 2.136 2.477 . 0 0 "[ . 1 . 2]" 1
1232 1 103 LYS QD 1 104 LEU QD . . 4.870 2.318 1.927 3.387 . 0 0 "[ . 1 . 2]" 1
1233 1 103 LYS QD 1 107 GLN HB2 . . 4.230 4.294 4.027 4.344 0.114 2 0 "[ . 1 . 2]" 1
1234 1 103 LYS QD 1 107 GLN HE21 . . 4.280 3.807 2.648 4.366 0.086 20 0 "[ . 1 . 2]" 1
1235 1 103 LYS QE 1 103 LYS HG2 . . 3.810 2.304 1.998 2.999 . 0 0 "[ . 1 . 2]" 1
1236 1 103 LYS QE 1 103 LYS HG3 . . 3.530 2.590 2.205 3.337 . 0 0 "[ . 1 . 2]" 1
1237 1 103 LYS QE 1 104 LEU QD . . 4.940 3.259 2.226 4.332 . 0 0 "[ . 1 . 2]" 1
1238 1 103 LYS QE 1 107 GLN HE21 . . 5.000 4.585 3.175 5.090 0.090 19 0 "[ . 1 . 2]" 1
1239 1 103 LYS HG2 1 104 LEU H . . 5.230 4.212 3.580 4.840 . 0 0 "[ . 1 . 2]" 1
1240 1 103 LYS HG3 1 104 LEU H . . 5.500 3.588 2.235 4.525 . 0 0 "[ . 1 . 2]" 1
1241 1 103 LYS HG3 1 104 LEU QD . . 4.870 3.320 2.045 4.522 . 0 0 "[ . 1 . 2]" 1
1242 1 104 LEU H 1 104 LEU HB2 . . 3.690 2.243 2.062 2.802 . 0 0 "[ . 1 . 2]" 1
1243 1 104 LEU H 1 104 LEU HB3 . . 3.750 3.316 2.929 3.580 . 0 0 "[ . 1 . 2]" 1
1244 1 104 LEU H 1 104 LEU QD . . 4.800 3.142 2.737 3.966 . 0 0 "[ . 1 . 2]" 1
1245 1 104 LEU H 1 104 LEU HG . . 4.370 4.430 4.345 4.463 0.093 12 0 "[ . 1 . 2]" 1
1246 1 104 LEU H 1 105 HIS H . . 3.650 2.449 1.976 2.873 . 0 0 "[ . 1 . 2]" 1
1247 1 104 LEU H 1 105 HIS HD2 . . 5.280 5.234 4.192 5.370 0.090 12 0 "[ . 1 . 2]" 1
1248 1 104 LEU HA 1 104 LEU QD . . 3.280 2.052 1.952 2.767 . 0 0 "[ . 1 . 2]" 1
1249 1 104 LEU HA 1 104 LEU HG . . 4.170 3.573 2.059 3.703 . 0 0 "[ . 1 . 2]" 1
1250 1 104 LEU HA 1 106 GLN H . . 4.270 4.094 3.727 4.334 0.064 2 0 "[ . 1 . 2]" 1
1251 1 104 LEU HA 1 107 GLN H . . 3.840 3.199 2.857 3.641 . 0 0 "[ . 1 . 2]" 1
1252 1 104 LEU HA 1 107 GLN HB2 . . 4.080 2.422 2.112 2.876 . 0 0 "[ . 1 . 2]" 1
1253 1 104 LEU HA 1 107 GLN HB3 . . 4.400 3.978 3.364 4.470 0.070 19 0 "[ . 1 . 2]" 1
1254 1 104 LEU HB2 1 104 LEU HG . . 2.480 2.425 2.322 2.600 0.120 6 0 "[ . 1 . 2]" 1
1255 1 104 LEU HB2 1 105 HIS H . . 4.310 3.360 3.016 4.073 . 0 0 "[ . 1 . 2]" 1
1256 1 104 LEU HB3 1 104 LEU QD . . 3.180 2.355 2.167 2.434 . 0 0 "[ . 1 . 2]" 1
1257 1 104 LEU HB3 1 104 LEU HG . . 2.400 2.324 2.245 2.501 0.101 6 0 "[ . 1 . 2]" 1
1258 1 104 LEU HB3 1 105 HIS H . . 4.110 3.266 2.503 3.673 . 0 0 "[ . 1 . 2]" 1
1259 1 104 LEU HB3 1 108 VAL QG . . 3.290 2.976 2.508 3.372 0.082 15 0 "[ . 1 . 2]" 1
1260 1 104 LEU QD 1 105 HIS H . . 5.210 4.171 3.911 4.501 . 0 0 "[ . 1 . 2]" 1
1261 1 104 LEU QD 1 107 GLN H . . 5.210 3.978 3.556 4.649 . 0 0 "[ . 1 . 2]" 1
1262 1 104 LEU QD 1 107 GLN HB2 . . 4.210 2.530 2.069 3.264 . 0 0 "[ . 1 . 2]" 1
1263 1 104 LEU QD 1 107 GLN HE21 . . 5.050 2.742 1.679 4.205 . 0 0 "[ . 1 . 2]" 1
1264 1 104 LEU QD 1 107 GLN HE22 . . 5.130 3.465 2.379 4.156 . 0 0 "[ . 1 . 2]" 1
1265 1 104 LEU QD 1 108 VAL H . . 5.500 3.404 3.073 3.796 . 0 0 "[ . 1 . 2]" 1
1266 1 104 LEU QD 1 108 VAL QG . . 2.400 2.199 1.940 2.497 0.097 4 0 "[ . 1 . 2]" 1
1267 1 104 LEU HG 1 105 HIS H . . 5.500 5.291 4.719 5.570 0.070 1 0 "[ . 1 . 2]" 1
1268 1 104 LEU HG 1 108 VAL QG . . 4.050 3.880 2.917 4.112 0.062 5 0 "[ . 1 . 2]" 1
1269 1 105 HIS H 1 105 HIS HB2 . . 3.880 3.260 2.975 3.530 . 0 0 "[ . 1 . 2]" 1
1270 1 105 HIS H 1 105 HIS HB3 . . 3.640 2.152 2.061 2.303 . 0 0 "[ . 1 . 2]" 1
1271 1 105 HIS HA 1 108 VAL H . . 5.500 3.588 3.205 4.095 . 0 0 "[ . 1 . 2]" 1
1272 1 105 HIS HA 1 108 VAL HB . . 4.850 2.657 2.232 3.089 . 0 0 "[ . 1 . 2]" 1
1273 1 105 HIS HA 1 108 VAL QG . . 5.110 3.160 2.685 3.625 . 0 0 "[ . 1 . 2]" 1
1274 1 105 HIS HA 1 109 LEU H . . 4.700 3.660 3.310 3.956 . 0 0 "[ . 1 . 2]" 1
1275 1 105 HIS HB2 1 106 GLN H . . 5.230 4.319 4.037 4.443 . 0 0 "[ . 1 . 2]" 1
1276 1 105 HIS HB3 1 106 GLN H . . 4.660 3.477 2.975 3.954 . 0 0 "[ . 1 . 2]" 1
1277 1 105 HIS HD2 1 106 GLN HA . . 5.330 4.072 3.439 5.083 . 0 0 "[ . 1 . 2]" 1
1278 1 105 HIS HD2 1 109 LEU QD . . 5.050 4.949 4.460 5.085 0.035 16 0 "[ . 1 . 2]" 1
1279 1 105 HIS HE1 1 109 LEU QD . . 5.500 2.681 2.125 3.535 . 0 0 "[ . 1 . 2]" 1
1280 1 106 GLN H 1 106 GLN QB . . 3.560 2.271 2.057 2.772 . 0 0 "[ . 1 . 2]" 1
1281 1 106 GLN H 1 106 GLN HG2 . . 4.490 4.031 2.093 4.564 0.074 15 0 "[ . 1 . 2]" 1
1282 1 106 GLN H 1 106 GLN HG3 . . 4.630 4.164 2.852 4.545 . 0 0 "[ . 1 . 2]" 1
1283 1 106 GLN H 1 107 GLN H . . 3.600 2.759 2.412 2.940 . 0 0 "[ . 1 . 2]" 1
1284 1 106 GLN H 1 107 GLN HB2 . . 4.800 4.613 4.135 4.869 0.069 10 0 "[ . 1 . 2]" 1
1285 1 106 GLN HA 1 106 GLN HG2 . . 3.520 3.480 2.471 3.822 0.302 19 0 "[ . 1 . 2]" 1
1286 1 106 GLN HA 1 106 GLN HG3 . . 3.740 2.904 2.253 3.619 . 0 0 "[ . 1 . 2]" 1
1287 1 106 GLN HA 1 107 GLN HA . . 4.750 4.777 4.610 4.831 0.081 14 0 "[ . 1 . 2]" 1
1288 1 106 GLN HA 1 109 LEU HB3 . . 4.330 3.166 2.251 4.021 . 0 0 "[ . 1 . 2]" 1
1289 1 106 GLN HA 1 109 LEU QD . . 5.500 3.449 2.729 3.910 . 0 0 "[ . 1 . 2]" 1
1290 1 106 GLN QB 1 106 GLN HG2 . . 2.400 2.245 2.113 2.502 0.102 3 0 "[ . 1 . 2]" 1
1291 1 106 GLN QB 1 107 GLN H . . 3.980 2.518 2.079 3.511 . 0 0 "[ . 1 . 2]" 1
1292 1 106 GLN QB 1 107 GLN HA . . 4.390 4.172 3.874 4.312 . 0 0 "[ . 1 . 2]" 1
1293 1 106 GLN HE22 1 106 GLN HG3 . . 3.740 3.769 3.519 4.165 0.425 11 0 "[ . 1 . 2]" 1
1294 1 106 GLN HG2 1 107 GLN H . . 5.500 3.697 2.315 4.555 . 0 0 "[ . 1 . 2]" 1
1295 1 106 GLN HG2 1 107 GLN HA . . 5.270 4.601 3.384 5.401 0.131 9 0 "[ . 1 . 2]" 1
1296 1 106 GLN HG3 1 107 GLN H . . 4.170 3.691 1.933 4.455 0.285 3 0 "[ . 1 . 2]" 1
1297 1 107 GLN H 1 107 GLN HB2 . . 2.850 2.254 2.056 2.424 . 0 0 "[ . 1 . 2]" 1
1298 1 107 GLN H 1 107 GLN HB3 . . 3.600 3.506 3.332 3.622 0.022 5 0 "[ . 1 . 2]" 1
1299 1 107 GLN H 1 107 GLN HG2 . . 3.510 3.487 2.922 3.603 0.093 14 0 "[ . 1 . 2]" 1
1300 1 107 GLN H 1 107 GLN HG3 . . 3.520 2.884 2.325 3.560 0.040 8 0 "[ . 1 . 2]" 1
1301 1 107 GLN HA 1 107 GLN HG2 . . 3.310 2.209 2.065 2.457 . 0 0 "[ . 1 . 2]" 1
1302 1 107 GLN HA 1 107 GLN HG3 . . 3.740 3.153 2.687 3.397 . 0 0 "[ . 1 . 2]" 1
1303 1 107 GLN HA 1 110 TRP H . . 5.040 3.823 3.422 4.439 . 0 0 "[ . 1 . 2]" 1
1304 1 107 GLN HA 1 110 TRP HB2 . . 4.100 3.404 2.802 4.066 . 0 0 "[ . 1 . 2]" 1
1305 1 107 GLN HA 1 110 TRP HD1 . . 5.340 4.440 2.881 5.416 0.076 2 0 "[ . 1 . 2]" 1
1306 1 107 GLN HB2 1 107 GLN HG3 . . 3.030 2.333 2.223 2.485 . 0 0 "[ . 1 . 2]" 1
1307 1 107 GLN HB2 1 108 VAL H . . 4.130 2.942 2.674 3.459 . 0 0 "[ . 1 . 2]" 1
1308 1 107 GLN HB2 1 108 VAL QG . . 4.720 3.741 3.413 4.269 . 0 0 "[ . 1 . 2]" 1
1309 1 107 GLN HB3 1 107 GLN HE22 . . 5.290 3.812 3.375 4.825 . 0 0 "[ . 1 . 2]" 1
1310 1 107 GLN HB3 1 108 VAL H . . 4.310 3.364 2.934 3.976 . 0 0 "[ . 1 . 2]" 1
1311 1 107 GLN HB3 1 108 VAL QG . . 5.500 3.899 3.512 4.276 . 0 0 "[ . 1 . 2]" 1
1312 1 108 VAL H 1 108 VAL HB . . 3.550 2.427 2.323 2.646 . 0 0 "[ . 1 . 2]" 1
1313 1 108 VAL H 1 108 VAL QG . . 3.470 2.261 2.177 2.575 . 0 0 "[ . 1 . 2]" 1
1314 1 108 VAL HA 1 111 ARG H . . 4.870 3.812 3.499 4.043 . 0 0 "[ . 1 . 2]" 1
1315 1 108 VAL HA 1 111 ARG HB2 . . 5.470 4.408 3.941 4.760 . 0 0 "[ . 1 . 2]" 1
1316 1 108 VAL HA 1 112 LEU H . . 4.860 3.929 3.788 4.046 . 0 0 "[ . 1 . 2]" 1
1317 1 108 VAL HB 1 109 LEU H . . 4.180 2.473 2.311 2.626 . 0 0 "[ . 1 . 2]" 1
1318 1 108 VAL QG 1 109 LEU H . . 4.990 3.111 2.961 3.227 . 0 0 "[ . 1 . 2]" 1
1319 1 108 VAL QG 1 109 LEU HA . . 5.480 3.149 2.965 3.293 . 0 0 "[ . 1 . 2]" 1
1320 1 108 VAL QG 1 109 LEU QD . . 5.310 3.983 3.800 4.120 . 0 0 "[ . 1 . 2]" 1
1321 1 108 VAL QG 1 111 ARG HG3 . . 5.500 4.910 4.438 5.665 0.165 12 0 "[ . 1 . 2]" 1
1322 1 108 VAL QG 1 112 LEU QD . . 3.320 2.540 2.127 3.291 . 0 0 "[ . 1 . 2]" 1
1323 1 108 VAL QG 1 112 LEU HG . . 5.250 4.121 3.284 5.081 . 0 0 "[ . 1 . 2]" 1
1324 1 109 LEU H 1 109 LEU HB2 . . 4.080 2.337 2.137 2.535 . 0 0 "[ . 1 . 2]" 1
1325 1 109 LEU H 1 109 LEU HB3 . . 4.050 2.922 2.538 3.482 . 0 0 "[ . 1 . 2]" 1
1326 1 109 LEU H 1 109 LEU QD . . 4.540 3.655 3.586 3.777 . 0 0 "[ . 1 . 2]" 1
1327 1 109 LEU H 1 109 LEU HG . . 4.640 4.093 3.264 4.577 . 0 0 "[ . 1 . 2]" 1
1328 1 109 LEU H 1 110 TRP H . . 3.700 2.913 2.773 3.088 . 0 0 "[ . 1 . 2]" 1
1329 1 109 LEU HA 1 109 LEU QD . . 3.190 2.084 2.027 2.149 . 0 0 "[ . 1 . 2]" 1
1330 1 109 LEU HA 1 109 LEU HG . . 3.770 2.988 2.473 3.293 . 0 0 "[ . 1 . 2]" 1
1331 1 109 LEU HA 1 112 LEU HB2 . . 3.660 3.084 2.783 3.716 0.056 7 0 "[ . 1 . 2]" 1
1332 1 109 LEU HA 1 112 LEU QD . . 4.280 3.215 2.728 3.838 . 0 0 "[ . 1 . 2]" 1
1333 1 109 LEU HB2 1 110 TRP H . . 4.110 3.666 2.975 4.104 . 0 0 "[ . 1 . 2]" 1
1334 1 109 LEU HB3 1 110 TRP H . . 3.970 2.848 2.547 3.208 . 0 0 "[ . 1 . 2]" 1
1335 1 109 LEU QD 1 110 TRP H . . 4.620 4.031 3.783 4.213 . 0 0 "[ . 1 . 2]" 1
1336 1 109 LEU QD 1 110 TRP HE3 . . 5.500 4.514 3.719 5.254 . 0 0 "[ . 1 . 2]" 1
1337 1 109 LEU QD 1 112 LEU HB2 . . 5.500 4.037 3.694 4.593 . 0 0 "[ . 1 . 2]" 1
1338 1 109 LEU QD 1 112 LEU HB3 . . 4.180 2.853 2.483 3.351 . 0 0 "[ . 1 . 2]" 1
1339 1 109 LEU QD 1 113 VAL H . . 5.240 3.445 3.214 3.827 . 0 0 "[ . 1 . 2]" 1
1340 1 109 LEU QD 1 113 VAL HB . . 5.470 3.479 2.973 4.049 . 0 0 "[ . 1 . 2]" 1
1341 1 109 LEU QD 1 113 VAL QG . . 3.330 2.559 1.886 3.155 . 0 0 "[ . 1 . 2]" 1
1342 1 110 TRP H 1 110 TRP HB2 . . 3.610 2.276 2.061 2.503 . 0 0 "[ . 1 . 2]" 1
1343 1 110 TRP H 1 110 TRP HB3 . . 3.600 3.330 2.790 3.643 0.043 16 0 "[ . 1 . 2]" 1
1344 1 110 TRP H 1 110 TRP HD1 . . 5.490 4.388 3.204 5.407 . 0 0 "[ . 1 . 2]" 1
1345 1 110 TRP H 1 111 ARG H . . 4.430 2.906 2.771 2.994 . 0 0 "[ . 1 . 2]" 1
1346 1 110 TRP HA 1 110 TRP HD1 . . 4.580 4.424 4.177 4.570 . 0 0 "[ . 1 . 2]" 1
1347 1 110 TRP HA 1 110 TRP HE1 . . 5.500 5.483 5.220 5.584 0.084 16 0 "[ . 1 . 2]" 1
1348 1 110 TRP HA 1 110 TRP HE3 . . 3.830 2.197 2.043 2.503 . 0 0 "[ . 1 . 2]" 1
1349 1 110 TRP HA 1 113 VAL H . . 4.130 3.681 3.437 3.978 . 0 0 "[ . 1 . 2]" 1
1350 1 110 TRP HA 1 113 VAL HB . . 4.660 4.005 3.000 4.741 0.081 18 0 "[ . 1 . 2]" 1
1351 1 110 TRP HA 1 113 VAL QG . . 4.170 2.903 2.010 4.013 . 0 0 "[ . 1 . 2]" 1
1352 1 110 TRP HB2 1 110 TRP HD1 . . 3.810 2.995 2.507 3.628 . 0 0 "[ . 1 . 2]" 1
1353 1 110 TRP HB2 1 111 ARG H . . 4.440 3.045 2.588 3.708 . 0 0 "[ . 1 . 2]" 1
1354 1 110 TRP HB3 1 111 ARG H . . 4.690 2.988 2.213 3.602 . 0 0 "[ . 1 . 2]" 1
1355 1 110 TRP HE3 1 113 VAL HB . . 4.800 4.560 3.161 4.891 0.091 3 0 "[ . 1 . 2]" 1
1356 1 110 TRP HE3 1 113 VAL QG . . 4.670 3.219 2.200 4.441 . 0 0 "[ . 1 . 2]" 1
1357 1 111 ARG H 1 111 ARG HB2 . . 4.010 2.643 2.455 2.788 . 0 0 "[ . 1 . 2]" 1
1358 1 111 ARG H 1 111 ARG HG2 . . 4.940 4.565 4.423 4.663 . 0 0 "[ . 1 . 2]" 1
1359 1 111 ARG H 1 112 LEU H . . 3.590 2.688 2.506 2.906 . 0 0 "[ . 1 . 2]" 1
1360 1 111 ARG H 1 112 LEU HB2 . . 5.300 4.738 4.432 5.091 . 0 0 "[ . 1 . 2]" 1
1361 1 111 ARG H 1 113 VAL H . . 5.500 4.612 4.331 4.853 . 0 0 "[ . 1 . 2]" 1
1362 1 111 ARG HA 1 111 ARG HB3 . . 3.020 3.037 3.012 3.058 0.038 20 0 "[ . 1 . 2]" 1
1363 1 111 ARG HA 1 111 ARG HD2 . . 4.070 2.409 2.033 3.484 . 0 0 "[ . 1 . 2]" 1
1364 1 111 ARG HA 1 111 ARG HD3 . . 3.750 3.214 2.595 4.138 0.388 12 0 "[ . 1 . 2]" 1
1365 1 111 ARG HA 1 114 GLN H . . 4.960 3.611 3.326 3.896 . 0 0 "[ . 1 . 2]" 1
1366 1 111 ARG HA 1 114 GLN HB3 . . 4.250 3.979 3.686 4.295 0.045 19 0 "[ . 1 . 2]" 1
1367 1 111 ARG HA 1 115 GLU H . . 4.800 4.173 3.941 4.352 . 0 0 "[ . 1 . 2]" 1
1368 1 111 ARG HB2 1 111 ARG HD3 . . 4.060 2.624 2.289 2.997 . 0 0 "[ . 1 . 2]" 1
1369 1 111 ARG HB2 1 112 LEU H . . 4.280 4.025 3.803 4.114 . 0 0 "[ . 1 . 2]" 1
1370 1 111 ARG HB3 1 111 ARG HD2 . . 4.110 3.776 3.633 3.976 . 0 0 "[ . 1 . 2]" 1
1371 1 111 ARG HB3 1 111 ARG HD3 . . 3.950 3.738 3.039 3.983 0.033 20 0 "[ . 1 . 2]" 1
1372 1 111 ARG HB3 1 111 ARG HE . . 4.770 4.605 4.274 4.817 0.047 20 0 "[ . 1 . 2]" 1
1373 1 111 ARG HB3 1 111 ARG HG3 . . 2.500 2.496 2.402 2.929 0.429 12 0 "[ . 1 . 2]" 1
1374 1 111 ARG HB3 1 112 LEU H . . 4.370 2.754 2.477 2.881 . 0 0 "[ . 1 . 2]" 1
1375 1 111 ARG HE 1 111 ARG HG3 . . 4.230 2.550 2.261 2.973 . 0 0 "[ . 1 . 2]" 1
1376 1 112 LEU H 1 112 LEU HB2 . . 3.280 2.282 2.170 2.462 . 0 0 "[ . 1 . 2]" 1
1377 1 112 LEU H 1 112 LEU HB3 . . 3.730 2.609 2.443 2.789 . 0 0 "[ . 1 . 2]" 1
1378 1 112 LEU H 1 112 LEU QD . . 4.170 3.695 3.611 3.757 . 0 0 "[ . 1 . 2]" 1
1379 1 112 LEU H 1 112 LEU HG . . 4.890 4.360 4.215 4.557 . 0 0 "[ . 1 . 2]" 1
1380 1 112 LEU H 1 113 VAL H . . 3.780 2.890 2.777 3.116 . 0 0 "[ . 1 . 2]" 1
1381 1 112 LEU H 1 113 VAL QG . . 5.500 4.204 3.931 4.421 . 0 0 "[ . 1 . 2]" 1
1382 1 112 LEU HA 1 112 LEU QD . . 3.690 2.733 2.077 3.065 . 0 0 "[ . 1 . 2]" 1
1383 1 112 LEU HA 1 115 GLU H . . 4.430 3.581 3.404 3.798 . 0 0 "[ . 1 . 2]" 1
1384 1 112 LEU HA 1 115 GLU QB . . 3.510 3.232 2.925 3.465 . 0 0 "[ . 1 . 2]" 1
1385 1 112 LEU HA 1 116 LEU H . . 5.120 4.195 4.009 4.347 . 0 0 "[ . 1 . 2]" 1
1386 1 112 LEU HA 1 116 LEU QD . . 4.370 3.521 3.204 4.121 . 0 0 "[ . 1 . 2]" 1
1387 1 112 LEU HB2 1 112 LEU HG . . 2.920 2.583 2.375 2.997 0.077 15 0 "[ . 1 . 2]" 1
1388 1 112 LEU HB2 1 113 VAL H . . 3.590 3.641 3.489 3.772 0.182 10 0 "[ . 1 . 2]" 1
1389 1 112 LEU HB2 1 116 LEU QD . . 4.950 4.510 4.173 4.882 . 0 0 "[ . 1 . 2]" 1
1390 1 112 LEU HB3 1 112 LEU QD . . 3.270 2.173 2.033 2.384 . 0 0 "[ . 1 . 2]" 1
1391 1 112 LEU HB3 1 113 VAL H . . 4.130 2.324 2.156 2.519 . 0 0 "[ . 1 . 2]" 1
1392 1 112 LEU HB3 1 116 LEU QD . . 5.220 3.861 3.633 4.210 . 0 0 "[ . 1 . 2]" 1
1393 1 112 LEU QD 1 115 GLU QB . . 5.500 4.114 3.446 4.539 . 0 0 "[ . 1 . 2]" 1
1394 1 112 LEU QD 1 116 LEU H . . 5.500 3.866 3.451 4.361 . 0 0 "[ . 1 . 2]" 1
1395 1 112 LEU QD 1 116 LEU QD . . 2.730 1.793 1.690 1.987 . 0 0 "[ . 1 . 2]" 1
1396 1 112 LEU HG 1 116 LEU QD . . 4.000 3.176 2.007 3.805 . 0 0 "[ . 1 . 2]" 1
1397 1 113 VAL H 1 113 VAL HB . . 3.400 2.510 2.424 2.651 . 0 0 "[ . 1 . 2]" 1
1398 1 113 VAL H 1 113 VAL QG . . 3.260 2.155 2.014 2.310 . 0 0 "[ . 1 . 2]" 1
1399 1 113 VAL H 1 114 GLN H . . 3.910 2.741 2.655 2.849 . 0 0 "[ . 1 . 2]" 1
1400 1 113 VAL H 1 114 GLN HB2 . . 5.270 4.831 4.686 5.066 . 0 0 "[ . 1 . 2]" 1
1401 1 113 VAL H 1 114 GLN HG3 . . 5.500 4.950 4.724 5.189 . 0 0 "[ . 1 . 2]" 1
1402 1 113 VAL H 1 116 LEU H . . 5.500 4.703 4.473 4.834 . 0 0 "[ . 1 . 2]" 1
1403 1 113 VAL H 1 116 LEU QD . . 5.500 3.833 3.686 4.021 . 0 0 "[ . 1 . 2]" 1
1404 1 113 VAL HA 1 113 VAL QG . . 3.190 2.182 2.051 2.289 . 0 0 "[ . 1 . 2]" 1
1405 1 113 VAL HA 1 116 LEU H . . 4.340 3.053 2.707 3.390 . 0 0 "[ . 1 . 2]" 1
1406 1 113 VAL HA 1 116 LEU HB3 . . 4.120 3.730 3.562 3.919 . 0 0 "[ . 1 . 2]" 1
1407 1 113 VAL HA 1 116 LEU QD . . 4.440 2.300 2.081 2.691 . 0 0 "[ . 1 . 2]" 1
1408 1 113 VAL HA 1 116 LEU HG . . 5.370 3.946 1.992 4.901 . 0 0 "[ . 1 . 2]" 1
1409 1 113 VAL HB 1 114 GLN H . . 4.110 3.680 2.797 4.188 0.078 19 0 "[ . 1 . 2]" 1
1410 1 113 VAL QG 1 114 GLN H . . 4.140 3.038 2.478 3.647 . 0 0 "[ . 1 . 2]" 1
1411 1 113 VAL QG 1 116 LEU H . . 5.500 4.220 4.006 4.386 . 0 0 "[ . 1 . 2]" 1
1412 1 113 VAL QG 1 116 LEU HB2 . . 4.030 3.004 2.549 3.412 . 0 0 "[ . 1 . 2]" 1
1413 1 113 VAL QG 1 116 LEU HB3 . . 4.180 3.855 3.554 4.051 . 0 0 "[ . 1 . 2]" 1
1414 1 113 VAL QG 1 116 LEU QD . . 4.270 2.750 2.438 3.120 . 0 0 "[ . 1 . 2]" 1
1415 1 113 VAL QG 1 117 CYS H . . 4.610 3.890 3.468 4.450 . 0 0 "[ . 1 . 2]" 1
1416 1 114 GLN H 1 114 GLN HB2 . . 3.460 2.396 2.301 2.572 . 0 0 "[ . 1 . 2]" 1
1417 1 114 GLN H 1 114 GLN HB3 . . 3.720 3.609 3.554 3.696 . 0 0 "[ . 1 . 2]" 1
1418 1 114 GLN H 1 114 GLN HG2 . . 3.890 3.852 3.632 3.939 0.049 19 0 "[ . 1 . 2]" 1
1419 1 114 GLN H 1 114 GLN HG3 . . 2.760 2.618 2.488 2.802 0.042 4 0 "[ . 1 . 2]" 1
1420 1 114 GLN H 1 115 GLU H . . 4.380 2.836 2.718 2.931 . 0 0 "[ . 1 . 2]" 1
1421 1 114 GLN HA 1 114 GLN HG2 . . 3.970 2.558 2.336 2.830 . 0 0 "[ . 1 . 2]" 1
1422 1 114 GLN HA 1 114 GLN HG3 . . 3.700 2.785 2.574 2.978 . 0 0 "[ . 1 . 2]" 1
1423 1 114 GLN HB2 1 115 GLU H . . 4.060 2.723 2.531 2.951 . 0 0 "[ . 1 . 2]" 1
1424 1 114 GLN HB3 1 115 GLU H . . 3.470 3.465 3.273 3.546 0.076 8 0 "[ . 1 . 2]" 1
1425 1 114 GLN HE22 1 114 GLN HG3 . . 4.010 3.759 3.524 4.127 0.117 8 0 "[ . 1 . 2]" 1
1426 1 114 GLN HG3 1 115 GLU H . . 5.290 4.699 4.552 4.837 . 0 0 "[ . 1 . 2]" 1
1427 1 115 GLU H 1 115 GLU QB . . 3.610 2.301 2.223 2.368 . 0 0 "[ . 1 . 2]" 1
1428 1 115 GLU H 1 115 GLU HG2 . . 5.080 4.672 4.498 4.761 . 0 0 "[ . 1 . 2]" 1
1429 1 115 GLU H 1 115 GLU HG3 . . 4.690 4.568 4.479 4.641 . 0 0 "[ . 1 . 2]" 1
1430 1 115 GLU H 1 116 LEU H . . 3.780 2.655 2.486 2.800 . 0 0 "[ . 1 . 2]" 1
1431 1 115 GLU HA 1 115 GLU HG2 . . 3.680 3.620 2.661 3.728 0.048 13 0 "[ . 1 . 2]" 1
1432 1 115 GLU HA 1 115 GLU HG3 . . 3.350 3.020 2.547 3.241 . 0 0 "[ . 1 . 2]" 1
1433 1 115 GLU QB 1 115 GLU HG3 . . 2.400 2.336 2.260 2.383 . 0 0 "[ . 1 . 2]" 1
1434 1 115 GLU QB 1 116 LEU H . . 3.590 2.698 2.296 2.974 . 0 0 "[ . 1 . 2]" 1
1435 1 115 GLU QB 1 116 LEU QD . . 3.630 2.982 2.527 3.459 . 0 0 "[ . 1 . 2]" 1
1436 1 115 GLU QB 1 119 LEU QD . . 3.840 3.782 3.369 3.907 0.067 19 0 "[ . 1 . 2]" 1
1437 1 115 GLU HG2 1 119 LEU QD . . 4.600 3.729 2.443 4.443 . 0 0 "[ . 1 . 2]" 1
1438 1 115 GLU HG3 1 116 LEU QD . . 4.710 3.863 3.074 4.691 . 0 0 "[ . 1 . 2]" 1
1439 1 115 GLU HG3 1 119 LEU QD . . 3.780 2.651 2.140 3.756 . 0 0 "[ . 1 . 2]" 1
1440 1 116 LEU H 1 116 LEU HB3 . . 3.940 3.577 3.451 3.702 . 0 0 "[ . 1 . 2]" 1
1441 1 116 LEU H 1 116 LEU QD . . 4.180 2.449 2.138 2.911 . 0 0 "[ . 1 . 2]" 1
1442 1 116 LEU H 1 117 CYS H . . 3.920 2.893 2.713 3.077 . 0 0 "[ . 1 . 2]" 1
1443 1 116 LEU HA 1 116 LEU QD . . 3.040 2.146 2.069 2.276 . 0 0 "[ . 1 . 2]" 1
1444 1 116 LEU HA 1 116 LEU HG . . 3.530 2.895 2.552 3.461 . 0 0 "[ . 1 . 2]" 1
1445 1 116 LEU HA 1 119 LEU QD . . 3.650 2.226 2.037 2.381 . 0 0 "[ . 1 . 2]" 1
1446 1 116 LEU HB2 1 117 CYS H . . 4.580 2.826 2.418 3.264 . 0 0 "[ . 1 . 2]" 1
1447 1 116 LEU HB3 1 116 LEU HG . . 2.400 2.503 2.214 3.028 0.628 1 6 "[+** * *1 . - 2]" 1
1448 1 116 LEU HB3 1 117 CYS H . . 4.330 3.460 3.076 3.905 . 0 0 "[ . 1 . 2]" 1
1449 1 116 LEU QD 1 117 CYS H . . 4.670 4.072 3.881 4.252 . 0 0 "[ . 1 . 2]" 1
1450 1 116 LEU QD 1 119 LEU H . . 5.500 5.160 4.877 5.423 . 0 0 "[ . 1 . 2]" 1
1451 1 117 CYS H 1 117 CYS HB3 . . 3.610 3.543 3.011 3.665 0.055 6 0 "[ . 1 . 2]" 1
1452 1 117 CYS H 1 118 SER H . . 4.140 2.540 2.314 2.713 . 0 0 "[ . 1 . 2]" 1
1453 1 117 CYS HB2 1 118 SER H . . 5.010 2.973 2.380 3.895 . 0 0 "[ . 1 . 2]" 1
1454 1 117 CYS HB3 1 118 SER H . . 4.510 3.704 2.634 4.475 . 0 0 "[ . 1 . 2]" 1
1455 1 118 SER H 1 118 SER HB2 . . 4.090 2.707 2.185 3.642 . 0 0 "[ . 1 . 2]" 1
1456 1 118 SER H 1 118 SER HB3 . . 3.930 2.852 2.065 3.714 . 0 0 "[ . 1 . 2]" 1
1457 1 118 SER H 1 119 LEU H . . 4.700 2.810 1.957 3.295 . 0 0 "[ . 1 . 2]" 1
1458 1 118 SER HA 1 119 LEU HB2 . . 5.140 5.092 4.719 5.232 0.092 13 0 "[ . 1 . 2]" 1
1459 1 118 SER HB3 1 119 LEU H . . 4.910 3.014 2.043 4.522 . 0 0 "[ . 1 . 2]" 1
1460 1 119 LEU H 1 119 LEU HB3 . . 4.170 3.560 2.969 3.986 . 0 0 "[ . 1 . 2]" 1
1461 1 119 LEU H 1 119 LEU QD . . 4.650 2.943 2.295 3.642 . 0 0 "[ . 1 . 2]" 1
1462 1 119 LEU H 1 119 LEU HG . . 4.350 4.053 2.641 4.435 0.085 15 0 "[ . 1 . 2]" 1
1463 1 119 LEU HA 1 119 LEU QD . . 3.050 2.119 1.900 2.768 . 0 0 "[ . 1 . 2]" 1
1464 1 119 LEU HA 1 119 LEU HG . . 4.210 3.185 2.125 3.715 . 0 0 "[ . 1 . 2]" 1
1465 1 119 LEU HB2 1 119 LEU QD . . 3.090 2.292 2.198 2.437 . 0 0 "[ . 1 . 2]" 1
1466 1 121 HIS HA 1 125 TRP HE3 . . 5.340 4.589 3.941 5.235 . 0 0 "[ . 1 . 2]" 1
1467 1 121 HIS HA 1 125 TRP HZ2 . . 5.500 3.601 2.548 4.153 . 0 0 "[ . 1 . 2]" 1
1468 1 121 HIS HA 1 125 TRP HZ3 . . 3.670 3.357 2.791 3.753 0.083 7 0 "[ . 1 . 2]" 1
1469 1 121 HIS HB2 1 125 TRP HZ2 . . 4.530 4.062 3.392 4.618 0.088 11 0 "[ . 1 . 2]" 1
1470 1 121 HIS HB2 1 125 TRP HZ3 . . 5.500 3.590 3.150 4.347 . 0 0 "[ . 1 . 2]" 1
1471 1 121 HIS HB3 1 125 TRP HE3 . . 3.580 3.509 3.117 4.082 0.502 9 1 "[ . +1 . 2]" 1
1472 1 121 HIS HD2 1 123 GLU HA . . 5.320 3.169 2.163 5.149 . 0 0 "[ . 1 . 2]" 1
1473 1 121 HIS HD2 1 123 GLU HB2 . . 5.500 4.778 2.835 5.571 0.071 11 0 "[ . 1 . 2]" 1
1474 1 121 HIS HD2 1 123 GLU HB3 . . 5.500 5.088 4.165 5.563 0.063 11 0 "[ . 1 . 2]" 1
1475 1 121 HIS HD2 1 125 TRP H . . 5.500 3.537 2.133 4.990 . 0 0 "[ . 1 . 2]" 1
1476 1 121 HIS HD2 1 126 LEU QB . . 4.280 3.782 2.836 4.211 . 0 0 "[ . 1 . 2]" 1
1477 1 121 HIS HE1 1 123 GLU HA . . 5.170 5.035 3.458 5.262 0.092 13 0 "[ . 1 . 2]" 1
1478 1 121 HIS HE1 1 126 LEU HA . . 5.500 4.037 2.960 5.560 0.060 6 0 "[ . 1 . 2]" 1
1479 1 121 HIS HE1 1 126 LEU QD . . 5.440 3.930 2.688 5.128 . 0 0 "[ . 1 . 2]" 1
1480 1 123 GLU H 1 123 GLU HB2 . . 3.810 2.798 2.500 3.217 . 0 0 "[ . 1 . 2]" 1
1481 1 123 GLU H 1 123 GLU HB3 . . 3.790 3.668 3.445 3.904 0.114 6 0 "[ . 1 . 2]" 1
1482 1 123 GLU H 1 123 GLU HG2 . . 4.980 4.406 3.730 5.039 0.059 18 0 "[ . 1 . 2]" 1
1483 1 123 GLU H 1 123 GLU HG3 . . 4.450 4.152 2.712 5.017 0.567 8 1 "[ . + 1 . 2]" 1
1484 1 123 GLU HA 1 123 GLU HG2 . . 4.270 2.669 2.134 3.679 . 0 0 "[ . 1 . 2]" 1
1485 1 123 GLU HA 1 125 TRP HD1 . . 5.500 5.545 5.274 5.590 0.090 11 0 "[ . 1 . 2]" 1
1486 1 123 GLU HB2 1 123 GLU HG3 . . 3.040 2.555 2.219 3.056 0.016 14 0 "[ . 1 . 2]" 1
1487 1 123 GLU HB2 1 125 TRP HD1 . . 5.470 4.948 2.794 5.581 0.111 12 0 "[ . 1 . 2]" 1
1488 1 123 GLU HB3 1 125 TRP HD1 . . 5.500 5.247 3.192 5.586 0.086 16 0 "[ . 1 . 2]" 1
1489 1 124 PHE HA 1 124 PHE QD . . 4.190 3.140 2.455 3.764 . 0 0 "[ . 1 . 2]" 1
1490 1 124 PHE HB2 1 125 TRP H . . 5.500 3.789 2.357 4.361 . 0 0 "[ . 1 . 2]" 1
1491 1 124 PHE HB3 1 126 LEU QD . . 5.110 5.094 4.512 5.688 0.578 5 2 "[ + - 1 . 2]" 1
1492 1 125 TRP H 1 125 TRP HB3 . . 3.800 2.789 2.636 2.939 . 0 0 "[ . 1 . 2]" 1
1493 1 125 TRP H 1 125 TRP HD1 . . 5.350 1.930 1.736 2.371 . 0 0 "[ . 1 . 2]" 1
1494 1 125 TRP H 1 126 LEU H . . 4.480 3.480 2.977 4.391 . 0 0 "[ . 1 . 2]" 1
1495 1 125 TRP HA 1 125 TRP HE3 . . 5.150 4.687 4.368 4.858 . 0 0 "[ . 1 . 2]" 1
1496 1 125 TRP HB2 1 125 TRP HE3 . . 4.050 2.563 2.457 2.687 . 0 0 "[ . 1 . 2]" 1
1497 1 125 TRP HB2 1 126 LEU H . . 4.420 4.360 3.350 4.496 0.076 7 0 "[ . 1 . 2]" 1
1498 1 125 TRP HB3 1 125 TRP HD1 . . 3.660 2.858 2.665 3.001 . 0 0 "[ . 1 . 2]" 1
1499 1 125 TRP HB3 1 125 TRP HE3 . . 4.080 4.057 3.938 4.158 0.078 7 0 "[ . 1 . 2]" 1
1500 1 125 TRP HB3 1 126 LEU H . . 4.790 4.609 4.266 4.781 . 0 0 "[ . 1 . 2]" 1
1501 1 126 LEU H 1 126 LEU QB . . 3.520 2.592 1.937 3.283 . 0 0 "[ . 1 . 2]" 1
1502 1 126 LEU H 1 126 LEU QD . . 4.820 2.116 1.743 3.715 . 0 0 "[ . 1 . 2]" 1
1503 1 126 LEU H 1 126 LEU HG . . 4.800 3.302 2.154 4.408 . 0 0 "[ . 1 . 2]" 1
1504 1 126 LEU H 1 127 GLU H . . 5.030 4.337 2.688 4.668 . 0 0 "[ . 1 . 2]" 1
1505 1 126 LEU HA 1 126 LEU QD . . 3.450 3.157 2.107 3.359 . 0 0 "[ . 1 . 2]" 1
1506 1 126 LEU HA 1 126 LEU HG . . 3.930 3.600 2.171 4.029 0.099 9 0 "[ . 1 . 2]" 1
1507 1 126 LEU HA 1 127 GLU H . . 3.110 2.386 2.051 3.209 0.099 13 0 "[ . 1 . 2]" 1
1508 1 126 LEU QB 1 127 GLU H . . 4.050 2.794 2.041 3.802 . 0 0 "[ . 1 . 2]" 1
1509 1 126 LEU QD 1 127 GLU H . . 4.700 3.571 2.108 4.383 . 0 0 "[ . 1 . 2]" 1
1510 1 126 LEU HG 1 127 GLU H . . 4.700 4.091 2.915 4.770 0.070 17 0 "[ . 1 . 2]" 1
1511 1 127 GLU H 1 127 GLU HB2 . . 3.090 2.452 2.040 3.049 . 0 0 "[ . 1 . 2]" 1
1512 1 127 GLU H 1 127 GLU HB3 . . 3.260 2.907 2.352 3.353 0.093 4 0 "[ . 1 . 2]" 1
1513 1 127 GLU H 1 127 GLU QG . . 3.980 3.735 2.603 4.083 0.103 13 0 "[ . 1 . 2]" 1
1514 1 127 GLU HA 1 127 GLU QG . . 3.160 2.372 2.127 3.112 . 0 0 "[ . 1 . 2]" 1
1515 1 127 GLU HB2 1 127 GLU QG . . 2.540 2.329 2.129 2.533 . 0 0 "[ . 1 . 2]" 1
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