NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
406741 |
1xu0   |
6382 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1xu0
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 1724
_Distance_constraint_stats_list.Viol_count 4763
_Distance_constraint_stats_list.Viol_total 8362.630
_Distance_constraint_stats_list.Viol_max 0.964
_Distance_constraint_stats_list.Viol_rms 0.0472
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0121
_Distance_constraint_stats_list.Viol_average_violations_only 0.0878
_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 ILE 5.592 0.113 9 0 "[ . 1 . 2]"
1 30 GLY 1.093 0.083 12 0 "[ . 1 . 2]"
1 31 GLY 1.118 0.093 11 0 "[ . 1 . 2]"
1 32 TYR 4.782 0.355 6 0 "[ . 1 . 2]"
1 33 MET 7.119 0.501 14 1 "[ . 1 +. 2]"
1 34 LEU 11.643 0.927 10 1 "[ . + . 2]"
1 35 GLY 3.121 0.099 6 0 "[ . 1 . 2]"
1 36 ASN 10.715 0.452 19 0 "[ . 1 . 2]"
1 37 ALA 5.302 0.667 10 1 "[ . + . 2]"
1 38 VAL 2.527 0.094 7 0 "[ . 1 . 2]"
1 39 GLY 7.417 0.614 8 1 "[ . + 1 . 2]"
1 40 ARG 9.769 0.770 5 2 "[ + - 1 . 2]"
1 41 MET 6.898 0.360 15 0 "[ . 1 . 2]"
1 42 SER 2.244 0.175 20 0 "[ . 1 . 2]"
1 43 TYR 2.857 0.175 20 0 "[ . 1 . 2]"
1 44 GLN 2.653 0.147 6 0 "[ . 1 . 2]"
1 45 PHE 5.413 0.288 2 0 "[ . 1 . 2]"
1 46 ASN 6.741 0.514 9 2 "[ . +1- . 2]"
1 47 ASN 7.994 0.514 9 2 "[ . +1- . 2]"
1 48 PRO 4.542 0.095 1 0 "[ . 1 . 2]"
1 49 MET 9.101 0.501 19 1 "[ . 1 . +2]"
1 50 GLU 4.392 0.441 5 0 "[ . 1 . 2]"
1 51 SER 5.009 0.100 19 0 "[ . 1 . 2]"
1 52 ARG 16.685 0.812 19 6 "[ .* - 1** .* +2]"
1 53 TYR 8.656 0.559 11 5 "[ .* - 1+* .* 2]"
1 54 TYR 3.474 0.116 16 0 "[ . 1 . 2]"
1 55 ASN 10.321 0.812 19 2 "[ . 1 .- +2]"
1 56 ASP 3.753 0.186 19 0 "[ . 1 . 2]"
1 57 TYR 5.563 0.116 16 0 "[ . 1 . 2]"
1 58 TYR 7.692 0.390 19 0 "[ . 1 . 2]"
1 59 ASN 5.339 0.373 7 0 "[ . 1 . 2]"
1 60 GLN 5.102 0.104 16 0 "[ . 1 . 2]"
1 61 MET 8.709 0.580 12 1 "[ . 1 + . 2]"
1 62 PRO 5.029 0.580 12 1 "[ . 1 + . 2]"
1 63 ASN 4.611 0.114 17 0 "[ . 1 . 2]"
1 64 ARG 10.019 0.927 10 1 "[ . + . 2]"
1 65 VAL 2.488 0.092 16 0 "[ . 1 . 2]"
1 66 TYR 9.962 0.139 7 0 "[ . 1 . 2]"
1 67 ARG 12.152 0.910 20 8 "[ *** * 1 * **+]"
1 68 PRO 3.434 0.952 2 1 "[ + . 1 . 2]"
1 69 MET 10.750 0.501 14 1 "[ . 1 +. 2]"
1 70 TYR 6.308 0.215 11 0 "[ . 1 . 2]"
1 71 ARG 9.873 0.460 18 0 "[ . 1 . 2]"
1 72 GLY 2.927 0.109 17 0 "[ . 1 . 2]"
1 73 GLU 8.989 0.964 14 3 "[- . 1 +.* 2]"
1 74 GLU 3.751 0.321 2 0 "[ . 1 . 2]"
1 75 TYR 3.706 0.107 16 0 "[ . 1 . 2]"
1 76 VAL 8.729 0.931 18 4 "[ . 1 - .**+ 2]"
1 77 SER 8.590 0.723 7 5 "[ . + 1 **. - *2]"
1 78 GLU 1.732 0.099 8 0 "[ . 1 . 2]"
1 79 ASP 4.664 0.723 7 5 "[ . + 1 **. - *2]"
1 80 ARG 14.796 0.931 18 8 "[ * . *1- * .**+*2]"
1 81 PHE 6.374 0.644 17 1 "[ . 1 . + 2]"
1 82 VAL 2.392 0.535 6 1 "[ .+ 1 . 2]"
1 83 ARG 16.836 0.788 13 5 "[ *.* 1 + -* 2]"
1 84 ASP 3.861 0.281 16 0 "[ . 1 . 2]"
1 85 CYS 1.363 0.952 2 1 "[ + . 1 . 2]"
1 86 TYR 5.021 0.788 13 4 "[ *.- 1 + .* 2]"
1 87 ASN 6.195 0.327 5 0 "[ . 1 . 2]"
1 88 MET 6.318 0.133 2 0 "[ . 1 . 2]"
1 89 SER 3.437 0.098 14 0 "[ . 1 . 2]"
1 90 VAL 4.764 0.118 9 0 "[ . 1 . 2]"
1 91 THR 11.493 0.129 7 0 "[ . 1 . 2]"
1 92 GLU 2.883 0.106 16 0 "[ . 1 . 2]"
1 93 TYR 8.183 0.407 10 0 "[ . 1 . 2]"
1 94 ILE 13.126 0.152 17 0 "[ . 1 . 2]"
1 95 ILE 2.869 0.095 12 0 "[ . 1 . 2]"
1 96 LYS 12.335 0.274 16 0 "[ . 1 . 2]"
1 97 PRO 4.599 0.095 14 0 "[ . 1 . 2]"
1 98 ALA 3.951 0.113 16 0 "[ . 1 . 2]"
1 99 GLU 7.506 0.113 16 0 "[ . 1 . 2]"
1 100 GLY 4.598 0.098 9 0 "[ . 1 . 2]"
1 101 LYS 4.298 0.117 9 0 "[ . 1 . 2]"
1 102 ASN 2.832 0.104 2 0 "[ . 1 . 2]"
1 103 ASN 9.047 0.538 6 1 "[ .+ 1 . 2]"
1 104 SER 1.128 0.087 1 0 "[ . 1 . 2]"
1 105 GLU 9.139 0.684 6 1 "[ .+ 1 . 2]"
1 106 LEU 5.415 0.684 6 1 "[ .+ 1 . 2]"
1 107 ASN 10.484 0.749 3 1 "[ + . 1 . 2]"
1 108 GLN 13.626 0.749 3 1 "[ + . 1 . 2]"
1 109 LEU 13.489 0.624 16 2 "[ . 1 .+ -2]"
1 110 ASP 5.351 0.624 16 2 "[ . 1 .+ -2]"
1 111 THR 6.984 0.152 17 0 "[ . 1 . 2]"
1 112 THR 8.086 0.877 11 5 "[ . * 1+ .* -*2]"
1 113 VAL 9.896 0.770 6 3 "[ *.+ 1- . 2]"
1 114 LYS 4.388 0.101 5 0 "[ . 1 . 2]"
1 115 SER 7.317 0.877 11 5 "[ . * 1+ .* -*2]"
1 116 GLN 13.789 0.770 6 3 "[ *.+ 1- . 2]"
1 117 ILE 4.823 0.136 9 0 "[ . 1 . 2]"
1 118 ILE 5.461 0.123 6 0 "[ . 1 . 2]"
1 119 ARG 6.752 0.842 12 1 "[ . 1 + . 2]"
1 120 GLU 4.138 0.116 6 0 "[ . 1 . 2]"
1 121 MET 5.494 0.122 12 0 "[ . 1 . 2]"
1 122 CYS 1.581 0.093 19 0 "[ . 1 . 2]"
1 123 ILE 10.788 0.842 12 5 "[ .* *1 + - * 2]"
1 124 THR 4.557 0.115 18 0 "[ . 1 . 2]"
1 125 GLU 7.749 0.644 17 1 "[ . 1 . + 2]"
1 126 TYR 9.072 0.790 9 3 "[ . +1 - * 2]"
1 127 ARG 9.007 0.793 6 1 "[ .+ 1 . 2]"
1 128 ARG 13.229 0.529 10 2 "[ -. + . 2]"
1 129 GLY 5.123 0.523 4 1 "[ +. 1 . 2]"
1 130 SER 5.220 0.259 16 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 ILE H 1 29 ILE MD . . 3.880 3.782 3.016 3.983 0.103 11 0 "[ . 1 . 2]" 1
2 1 29 ILE H 1 29 ILE HG12 . . 3.660 3.585 2.742 3.734 0.074 12 0 "[ . 1 . 2]" 1
3 1 29 ILE H 1 29 ILE HG13 . . 3.460 2.414 1.836 2.549 . 0 0 "[ . 1 . 2]" 1
4 1 29 ILE H 1 29 ILE MG . . 4.240 3.934 3.611 4.124 . 0 0 "[ . 1 . 2]" 1
5 1 29 ILE H 1 30 GLY H . . 4.520 4.419 4.164 4.585 0.065 13 0 "[ . 1 . 2]" 1
6 1 29 ILE H 1 70 TYR HA . . 5.020 4.893 4.087 5.098 0.078 18 0 "[ . 1 . 2]" 1
7 1 29 ILE HA 1 29 ILE MD . . 4.610 3.871 3.774 3.939 . 0 0 "[ . 1 . 2]" 1
8 1 29 ILE HA 1 29 ILE HG12 . . 3.250 2.686 2.392 2.946 . 0 0 "[ . 1 . 2]" 1
9 1 29 ILE HA 1 29 ILE HG13 . . 3.680 2.814 2.580 3.261 . 0 0 "[ . 1 . 2]" 1
10 1 29 ILE HA 1 29 ILE MG . . 3.340 2.506 2.342 2.674 . 0 0 "[ . 1 . 2]" 1
11 1 29 ILE HA 1 30 GLY H . . 3.200 2.336 2.064 2.663 . 0 0 "[ . 1 . 2]" 1
12 1 29 ILE HA 1 31 GLY H . . 4.600 4.166 3.698 4.567 . 0 0 "[ . 1 . 2]" 1
13 1 29 ILE HA 1 70 TYR HA . . 3.240 2.906 2.473 3.306 0.066 15 0 "[ . 1 . 2]" 1
14 1 29 ILE HA 1 70 TYR QD . . 3.670 3.047 2.206 3.750 0.080 4 0 "[ . 1 . 2]" 1
15 1 29 ILE HA 1 70 TYR QE . . 5.130 4.686 3.847 5.221 0.091 2 0 "[ . 1 . 2]" 1
16 1 29 ILE HA 1 71 ARG H . . 4.120 3.834 3.153 4.198 0.078 19 0 "[ . 1 . 2]" 1
17 1 29 ILE HB 1 29 ILE MD . . 3.250 2.334 2.207 2.654 . 0 0 "[ . 1 . 2]" 1
18 1 29 ILE HB 1 29 ILE HG13 . . 2.650 2.626 2.389 2.716 0.066 18 0 "[ . 1 . 2]" 1
19 1 29 ILE MD 1 29 ILE MG . . 3.170 2.155 2.044 2.256 . 0 0 "[ . 1 . 2]" 1
20 1 29 ILE MD 1 31 GLY H . . 5.290 5.097 4.491 5.379 0.089 5 0 "[ . 1 . 2]" 1
21 1 29 ILE MD 1 32 TYR QE . . 4.360 2.644 2.096 4.468 0.108 7 0 "[ . 1 . 2]" 1
22 1 29 ILE MD 1 70 TYR QD . . 4.470 3.871 2.736 4.437 . 0 0 "[ . 1 . 2]" 1
23 1 29 ILE MD 1 70 TYR QE . . 3.820 2.881 2.062 3.597 . 0 0 "[ . 1 . 2]" 1
24 1 29 ILE MD 1 84 ASP HB2 . . 5.270 4.639 2.664 5.371 0.101 13 0 "[ . 1 . 2]" 1
25 1 29 ILE MD 1 84 ASP HB3 . . 4.340 3.494 1.933 4.453 0.113 9 0 "[ . 1 . 2]" 1
26 1 29 ILE HG12 1 30 GLY H . . 4.830 4.293 3.951 4.545 . 0 0 "[ . 1 . 2]" 1
27 1 29 ILE HG12 1 70 TYR HA . . 4.820 4.033 3.345 4.887 0.067 17 0 "[ . 1 . 2]" 1
28 1 29 ILE HG12 1 70 TYR QD . . 3.620 2.458 2.110 2.984 . 0 0 "[ . 1 . 2]" 1
29 1 29 ILE HG13 1 30 GLY H . . 5.090 4.854 4.628 5.165 0.075 9 0 "[ . 1 . 2]" 1
30 1 29 ILE HG13 1 70 TYR QD . . 4.350 3.550 2.829 4.143 . 0 0 "[ . 1 . 2]" 1
31 1 29 ILE HG13 1 70 TYR QE . . 4.300 3.803 2.793 4.353 0.053 10 0 "[ . 1 . 2]" 1
32 1 29 ILE MG 1 30 GLY H . . 4.320 2.344 1.818 3.230 . 0 0 "[ . 1 . 2]" 1
33 1 29 ILE MG 1 31 GLY H . . 3.880 2.118 1.722 2.687 . 0 0 "[ . 1 . 2]" 1
34 1 29 ILE MG 1 32 TYR QD . . 4.470 3.132 2.316 3.954 . 0 0 "[ . 1 . 2]" 1
35 1 29 ILE MG 1 32 TYR QE . . 4.060 2.573 2.108 3.903 . 0 0 "[ . 1 . 2]" 1
36 1 29 ILE MG 1 69 MET H . . 4.560 2.747 2.175 3.354 . 0 0 "[ . 1 . 2]" 1
37 1 29 ILE MG 1 70 TYR HA . . 4.510 3.463 2.354 4.313 . 0 0 "[ . 1 . 2]" 1
38 1 29 ILE MG 1 70 TYR QE . . 4.400 3.490 2.470 4.469 0.069 14 0 "[ . 1 . 2]" 1
39 1 30 GLY H 1 31 GLY H . . 3.570 2.669 1.908 3.227 . 0 0 "[ . 1 . 2]" 1
40 1 30 GLY H 1 70 TYR HA . . 4.040 3.175 2.363 3.935 . 0 0 "[ . 1 . 2]" 1
41 1 30 GLY HA2 1 71 ARG QD . . 3.970 3.417 1.994 4.053 0.083 12 0 "[ . 1 . 2]" 1
42 1 30 GLY HA2 1 71 ARG QG . . 4.060 3.094 2.119 4.130 0.070 14 0 "[ . 1 . 2]" 1
43 1 30 GLY HA3 1 71 ARG QD . . 3.950 3.095 2.436 3.884 . 0 0 "[ . 1 . 2]" 1
44 1 30 GLY HA3 1 71 ARG QG . . 3.980 2.786 2.060 4.048 0.068 10 0 "[ . 1 . 2]" 1
45 1 31 GLY H 1 32 TYR H . . 4.860 4.053 2.811 4.391 . 0 0 "[ . 1 . 2]" 1
46 1 31 GLY H 1 69 MET H . . 4.430 4.095 2.992 4.504 0.074 4 0 "[ . 1 . 2]" 1
47 1 31 GLY HA2 1 32 TYR H . . 3.350 2.544 2.132 3.391 0.041 4 0 "[ . 1 . 2]" 1
48 1 31 GLY HA2 1 32 TYR QD . . 4.420 3.810 2.471 4.513 0.093 11 0 "[ . 1 . 2]" 1
49 1 31 GLY HA3 1 32 TYR H . . 3.450 2.807 2.287 3.388 . 0 0 "[ . 1 . 2]" 1
50 1 32 TYR H 1 32 TYR HB2 . . 4.050 2.759 2.246 3.677 . 0 0 "[ . 1 . 2]" 1
51 1 32 TYR H 1 32 TYR HB3 . . 3.880 3.756 3.480 4.114 0.234 4 0 "[ . 1 . 2]" 1
52 1 32 TYR H 1 32 TYR QD . . 4.060 3.065 2.514 3.562 . 0 0 "[ . 1 . 2]" 1
53 1 32 TYR H 1 32 TYR QE . . 5.500 4.718 4.053 5.290 . 0 0 "[ . 1 . 2]" 1
54 1 32 TYR H 1 69 MET ME . . 5.280 4.616 3.078 5.361 0.081 12 0 "[ . 1 . 2]" 1
55 1 32 TYR HA 1 32 TYR QD . . 3.980 2.752 2.246 3.329 . 0 0 "[ . 1 . 2]" 1
56 1 32 TYR HA 1 32 TYR QE . . 5.350 4.758 4.496 5.132 . 0 0 "[ . 1 . 2]" 1
57 1 32 TYR HA 1 33 MET H . . 3.420 2.275 2.158 2.400 . 0 0 "[ . 1 . 2]" 1
58 1 32 TYR HA 1 68 PRO HA . . 3.640 3.292 2.241 3.710 0.070 11 0 "[ . 1 . 2]" 1
59 1 32 TYR HA 1 69 MET H . . 4.110 3.785 2.865 4.188 0.078 2 0 "[ . 1 . 2]" 1
60 1 32 TYR HA 1 69 MET ME . . 4.510 3.964 3.078 4.597 0.087 10 0 "[ . 1 . 2]" 1
61 1 32 TYR HA 1 69 MET HG2 . . 5.160 4.296 3.006 5.242 0.082 11 0 "[ . 1 . 2]" 1
62 1 32 TYR HB2 1 33 MET H . . 4.160 4.051 3.591 4.515 0.355 6 0 "[ . 1 . 2]" 1
63 1 32 TYR HB3 1 33 MET H . . 4.480 3.278 2.819 3.786 . 0 0 "[ . 1 . 2]" 1
64 1 32 TYR HB3 1 88 MET ME . . 4.920 4.249 3.407 5.008 0.088 20 0 "[ . 1 . 2]" 1
65 1 32 TYR QD 1 33 MET H . . 4.640 4.436 3.934 4.741 0.101 18 0 "[ . 1 . 2]" 1
66 1 32 TYR QD 1 68 PRO HA . . 3.770 2.866 2.000 3.816 0.046 20 0 "[ . 1 . 2]" 1
67 1 32 TYR QD 1 69 MET H . . 5.130 4.336 3.135 5.203 0.073 7 0 "[ . 1 . 2]" 1
68 1 32 TYR QD 1 88 MET ME . . 4.480 3.423 2.762 3.997 . 0 0 "[ . 1 . 2]" 1
69 1 32 TYR QE 1 88 MET ME . . 3.690 3.536 2.558 3.803 0.113 4 0 "[ . 1 . 2]" 1
70 1 33 MET H 1 33 MET QB . . 3.770 2.865 2.248 3.330 . 0 0 "[ . 1 . 2]" 1
71 1 33 MET H 1 33 MET ME . . 5.500 4.855 3.551 5.427 . 0 0 "[ . 1 . 2]" 1
72 1 33 MET H 1 33 MET HG2 . . 4.910 3.665 2.345 4.616 . 0 0 "[ . 1 . 2]" 1
73 1 33 MET H 1 33 MET HG3 . . 4.440 3.352 2.518 4.568 0.128 6 0 "[ . 1 . 2]" 1
74 1 33 MET H 1 34 LEU H . . 4.660 2.785 1.479 4.401 . 0 0 "[ . 1 . 2]" 1
75 1 33 MET H 1 35 GLY H . . 5.500 5.522 4.934 5.578 0.078 8 0 "[ . 1 . 2]" 1
76 1 33 MET H 1 66 TYR HA . . 4.980 4.896 4.482 5.054 0.074 8 0 "[ . 1 . 2]" 1
77 1 33 MET H 1 69 MET ME . . 4.800 3.726 2.499 4.778 . 0 0 "[ . 1 . 2]" 1
78 1 33 MET HA 1 33 MET ME . . 4.090 3.914 2.749 4.198 0.108 18 0 "[ . 1 . 2]" 1
79 1 33 MET HA 1 33 MET HG2 . . 4.100 2.959 2.243 4.273 0.173 16 0 "[ . 1 . 2]" 1
80 1 33 MET HA 1 34 LEU H . . 3.310 2.924 2.187 3.387 0.077 9 0 "[ . 1 . 2]" 1
81 1 33 MET QB 1 33 MET ME . . 2.400 2.136 1.951 2.291 . 0 0 "[ . 1 . 2]" 1
82 1 33 MET QB 1 34 LEU H . . 3.730 3.087 2.135 3.814 0.084 2 0 "[ . 1 . 2]" 1
83 1 33 MET ME 1 33 MET HG2 . . 3.420 2.880 2.262 3.470 0.050 9 0 "[ . 1 . 2]" 1
84 1 33 MET ME 1 33 MET HG3 . . 3.360 2.993 2.263 3.427 0.067 4 0 "[ . 1 . 2]" 1
85 1 33 MET HG2 1 34 LEU H . . 4.950 4.590 3.338 5.018 0.068 4 0 "[ . 1 . 2]" 1
86 1 33 MET HG2 1 69 MET ME . . 3.810 3.052 1.981 3.890 0.080 4 0 "[ . 1 . 2]" 1
87 1 33 MET HG3 1 34 LEU H . . 4.960 4.354 2.740 5.017 0.057 13 0 "[ . 1 . 2]" 1
88 1 33 MET HG3 1 69 MET ME . . 3.410 2.630 2.002 3.911 0.501 14 1 "[ . 1 +. 2]" 1
89 1 34 LEU H 1 34 LEU QB . . 3.210 2.721 2.009 3.294 0.084 9 0 "[ . 1 . 2]" 1
90 1 34 LEU H 1 34 LEU MD1 . . 5.000 4.541 4.064 4.887 . 0 0 "[ . 1 . 2]" 1
91 1 34 LEU H 1 34 LEU MD2 . . 5.040 4.353 3.806 4.712 . 0 0 "[ . 1 . 2]" 1
92 1 34 LEU H 1 34 LEU HG . . 4.460 4.208 3.147 4.549 0.089 16 0 "[ . 1 . 2]" 1
93 1 34 LEU H 1 35 GLY HA2 . . 5.360 5.193 4.627 5.443 0.083 3 0 "[ . 1 . 2]" 1
94 1 34 LEU HA 1 34 LEU MD1 . . 3.330 2.946 1.953 3.432 0.102 15 0 "[ . 1 . 2]" 1
95 1 34 LEU HA 1 34 LEU HG . . 3.500 3.491 2.588 3.590 0.090 14 0 "[ . 1 . 2]" 1
96 1 34 LEU HA 1 35 GLY H . . 3.470 2.176 1.901 2.475 . 0 0 "[ . 1 . 2]" 1
97 1 34 LEU HA 1 66 TYR HA . . 5.500 2.083 1.876 2.820 . 0 0 "[ . 1 . 2]" 1
98 1 34 LEU HA 1 67 ARG H . . 4.420 2.878 2.252 3.897 . 0 0 "[ . 1 . 2]" 1
99 1 34 LEU QB 1 34 LEU MD1 . . 3.060 2.202 2.003 2.669 . 0 0 "[ . 1 . 2]" 1
100 1 34 LEU QB 1 34 LEU MD2 . . 2.990 2.031 1.876 2.154 . 0 0 "[ . 1 . 2]" 1
101 1 34 LEU QB 1 34 LEU HG . . 2.530 2.437 1.971 2.576 0.046 8 0 "[ . 1 . 2]" 1
102 1 34 LEU QB 1 35 GLY H . . 4.110 3.257 2.520 3.952 . 0 0 "[ . 1 . 2]" 1
103 1 34 LEU QB 1 64 ARG QD . . 3.240 2.807 1.948 3.262 0.022 13 0 "[ . 1 . 2]" 1
104 1 34 LEU QB 1 64 ARG QG . . 4.010 3.022 2.425 4.011 0.001 7 0 "[ . 1 . 2]" 1
105 1 34 LEU MD1 1 35 GLY H . . 4.620 2.559 2.091 3.279 . 0 0 "[ . 1 . 2]" 1
106 1 34 LEU MD1 1 64 ARG HB3 . . 4.390 3.348 2.836 5.317 0.927 10 1 "[ . + . 2]" 1
107 1 34 LEU MD1 1 64 ARG QD . . 4.120 2.321 1.926 3.549 . 0 0 "[ . 1 . 2]" 1
108 1 34 LEU MD1 1 64 ARG QG . . 3.340 2.177 1.999 2.766 . 0 0 "[ . 1 . 2]" 1
109 1 34 LEU MD1 1 66 TYR HA . . 3.780 3.519 2.041 3.886 0.106 11 0 "[ . 1 . 2]" 1
110 1 34 LEU MD1 1 66 TYR QE . . 4.200 4.114 2.849 4.336 0.136 8 0 "[ . 1 . 2]" 1
111 1 34 LEU MD2 1 35 GLY H . . 4.910 4.729 4.371 5.009 0.099 6 0 "[ . 1 . 2]" 1
112 1 34 LEU MD2 1 64 ARG HB3 . . 4.210 4.218 3.744 4.450 0.240 16 0 "[ . 1 . 2]" 1
113 1 34 LEU MD2 1 64 ARG QD . . 3.950 1.943 1.807 2.288 . 0 0 "[ . 1 . 2]" 1
114 1 34 LEU MD2 1 64 ARG QG . . 4.370 2.838 1.964 3.468 . 0 0 "[ . 1 . 2]" 1
115 1 34 LEU MD2 1 66 TYR HA . . 4.710 4.749 3.870 4.849 0.139 7 0 "[ . 1 . 2]" 1
116 1 34 LEU MD2 1 66 TYR QE . . 4.360 3.288 2.699 4.143 . 0 0 "[ . 1 . 2]" 1
117 1 34 LEU HG 1 36 ASN HA . . 5.140 4.705 3.903 5.234 0.094 10 0 "[ . 1 . 2]" 1
118 1 34 LEU HG 1 64 ARG QD . . 4.330 3.754 2.014 4.250 . 0 0 "[ . 1 . 2]" 1
119 1 35 GLY H 1 65 VAL H . . 4.630 4.397 3.781 4.712 0.082 18 0 "[ . 1 . 2]" 1
120 1 35 GLY H 1 66 TYR HA . . 3.490 3.040 2.391 3.560 0.070 13 0 "[ . 1 . 2]" 1
121 1 35 GLY HA2 1 36 ASN H . . 3.490 3.122 2.306 3.572 0.082 4 0 "[ . 1 . 2]" 1
122 1 35 GLY HA3 1 36 ASN H . . 3.540 2.746 2.179 3.609 0.069 9 0 "[ . 1 . 2]" 1
123 1 36 ASN H 1 36 ASN HB2 . . 3.810 3.488 2.610 4.029 0.219 10 0 "[ . 1 . 2]" 1
124 1 36 ASN H 1 36 ASN HB3 . . 4.030 3.679 3.273 3.903 . 0 0 "[ . 1 . 2]" 1
125 1 36 ASN H 1 36 ASN HD21 . . 4.520 3.173 2.016 4.591 0.071 16 0 "[ . 1 . 2]" 1
126 1 36 ASN H 1 36 ASN HD22 . . 4.900 4.051 3.116 4.979 0.079 9 0 "[ . 1 . 2]" 1
127 1 36 ASN H 1 37 ALA H . . 4.320 4.375 4.303 4.401 0.081 16 0 "[ . 1 . 2]" 1
128 1 36 ASN HA 1 36 ASN HB2 . . 2.610 2.744 2.425 3.057 0.447 16 0 "[ . 1 . 2]" 1
129 1 36 ASN HA 1 36 ASN HB3 . . 3.040 2.470 2.169 3.010 . 0 0 "[ . 1 . 2]" 1
130 1 36 ASN HA 1 36 ASN HD21 . . 4.530 3.466 2.334 4.463 . 0 0 "[ . 1 . 2]" 1
131 1 36 ASN HA 1 36 ASN HD22 . . 4.990 4.474 3.250 5.070 0.080 12 0 "[ . 1 . 2]" 1
132 1 36 ASN HA 1 37 ALA H . . 2.780 2.414 2.182 2.832 0.052 16 0 "[ . 1 . 2]" 1
133 1 36 ASN HA 1 65 VAL H . . 5.410 5.358 5.124 5.502 0.092 16 0 "[ . 1 . 2]" 1
134 1 36 ASN HB2 1 36 ASN HD21 . . 3.530 2.944 2.318 3.697 0.167 3 0 "[ . 1 . 2]" 1
135 1 36 ASN HB2 1 36 ASN HD22 . . 4.050 3.806 3.535 4.126 0.076 3 0 "[ . 1 . 2]" 1
136 1 36 ASN HB2 1 37 ALA H . . 3.850 2.904 2.209 3.708 . 0 0 "[ . 1 . 2]" 1
137 1 36 ASN HB3 1 37 ALA H . . 3.400 2.908 1.731 3.852 0.452 19 0 "[ . 1 . 2]" 1
138 1 37 ALA H 1 37 ALA HA . . 2.900 2.923 2.821 2.965 0.065 9 0 "[ . 1 . 2]" 1
139 1 37 ALA H 1 37 ALA MB . . 3.130 2.414 2.212 2.822 . 0 0 "[ . 1 . 2]" 1
140 1 37 ALA H 1 64 ARG HB2 . . 4.580 4.124 3.635 4.653 0.073 16 0 "[ . 1 . 2]" 1
141 1 37 ALA HA 1 38 VAL H . . 3.110 2.515 2.218 2.916 . 0 0 "[ . 1 . 2]" 1
142 1 37 ALA HA 1 38 VAL QG . . 4.200 3.114 2.798 3.372 . 0 0 "[ . 1 . 2]" 1
143 1 37 ALA HA 1 39 GLY H . . 5.440 4.962 4.242 5.501 0.061 19 0 "[ . 1 . 2]" 1
144 1 37 ALA HA 1 64 ARG H . . 4.810 4.544 3.626 4.800 . 0 0 "[ . 1 . 2]" 1
145 1 37 ALA HA 1 64 ARG HB2 . . 3.160 2.213 2.010 2.698 . 0 0 "[ . 1 . 2]" 1
146 1 37 ALA HA 1 64 ARG HB3 . . 3.580 2.605 2.001 3.384 . 0 0 "[ . 1 . 2]" 1
147 1 37 ALA HA 1 64 ARG QD . . 5.500 4.298 3.912 4.559 . 0 0 "[ . 1 . 2]" 1
148 1 37 ALA HA 1 64 ARG QG . . 4.380 3.916 3.762 4.034 . 0 0 "[ . 1 . 2]" 1
149 1 37 ALA MB 1 38 VAL H . . 4.020 2.325 2.028 2.562 . 0 0 "[ . 1 . 2]" 1
150 1 37 ALA MB 1 38 VAL QG . . 3.870 3.682 3.297 3.847 . 0 0 "[ . 1 . 2]" 1
151 1 37 ALA MB 1 39 GLY H . . 4.550 3.828 3.116 4.624 0.074 8 0 "[ . 1 . 2]" 1
152 1 37 ALA MB 1 63 ASN HD21 . . 4.490 3.428 2.267 4.585 0.095 15 0 "[ . 1 . 2]" 1
153 1 37 ALA MB 1 63 ASN HD22 . . 4.440 3.343 2.308 4.142 . 0 0 "[ . 1 . 2]" 1
154 1 37 ALA MB 1 64 ARG HB2 . . 3.230 2.807 2.167 3.897 0.667 10 1 "[ . + . 2]" 1
155 1 37 ALA MB 1 64 ARG HB3 . . 3.910 2.163 1.989 2.553 . 0 0 "[ . 1 . 2]" 1
156 1 37 ALA MB 1 64 ARG QD . . 5.160 3.520 2.828 4.785 . 0 0 "[ . 1 . 2]" 1
157 1 37 ALA MB 1 64 ARG QG . . 4.280 3.778 3.411 4.136 . 0 0 "[ . 1 . 2]" 1
158 1 38 VAL H 1 38 VAL HB . . 3.770 3.099 2.455 3.856 0.086 18 0 "[ . 1 . 2]" 1
159 1 38 VAL H 1 38 VAL QG . . 3.710 2.292 1.955 2.866 . 0 0 "[ . 1 . 2]" 1
160 1 38 VAL H 1 39 GLY H . . 3.730 2.565 1.926 3.031 . 0 0 "[ . 1 . 2]" 1
161 1 38 VAL HA 1 38 VAL QG . . 3.000 2.152 2.045 2.440 . 0 0 "[ . 1 . 2]" 1
162 1 38 VAL HA 1 39 GLY H . . 3.580 3.591 3.452 3.646 0.066 19 0 "[ . 1 . 2]" 1
163 1 38 VAL HB 1 39 GLY H . . 3.530 2.615 1.922 3.620 0.090 20 0 "[ . 1 . 2]" 1
164 1 38 VAL HB 1 40 ARG H . . 4.580 4.446 3.543 4.674 0.094 7 0 "[ . 1 . 2]" 1
165 1 38 VAL QG 1 39 GLY H . . 3.720 2.659 1.731 3.401 . 0 0 "[ . 1 . 2]" 1
166 1 38 VAL QG 1 41 MET H . . 5.310 3.036 2.330 3.978 . 0 0 "[ . 1 . 2]" 1
167 1 38 VAL QG 1 41 MET HA . . 4.440 3.049 2.252 4.398 . 0 0 "[ . 1 . 2]" 1
168 1 38 VAL QG 1 41 MET ME . . 4.170 3.203 2.582 3.549 . 0 0 "[ . 1 . 2]" 1
169 1 38 VAL QG 1 41 MET QG . . 4.710 2.875 1.925 3.994 . 0 0 "[ . 1 . 2]" 1
170 1 38 VAL QG 1 64 ARG HA . . 4.090 2.517 2.161 3.493 . 0 0 "[ . 1 . 2]" 1
171 1 38 VAL QG 1 65 VAL HA . . 4.280 4.265 4.000 4.336 0.056 1 0 "[ . 1 . 2]" 1
172 1 38 VAL QG 1 65 VAL HB . . 4.360 3.493 2.550 4.403 0.043 4 0 "[ . 1 . 2]" 1
173 1 38 VAL QG 1 65 VAL QG . . 4.160 2.151 1.811 3.339 . 0 0 "[ . 1 . 2]" 1
174 1 38 VAL QG 1 121 MET HA . . 4.310 3.104 2.557 3.849 . 0 0 "[ . 1 . 2]" 1
175 1 38 VAL QG 1 121 MET ME . . 3.310 2.709 1.899 3.379 0.069 12 0 "[ . 1 . 2]" 1
176 1 38 VAL QG 1 121 MET QG . . 3.540 2.408 1.922 2.876 . 0 0 "[ . 1 . 2]" 1
177 1 39 GLY H 1 39 GLY HA2 . . 3.080 2.362 2.202 2.520 . 0 0 "[ . 1 . 2]" 1
178 1 39 GLY H 1 40 ARG H . . 3.540 3.132 2.161 3.623 0.083 6 0 "[ . 1 . 2]" 1
179 1 39 GLY H 1 41 MET H . . 4.340 3.924 3.048 4.399 0.059 15 0 "[ . 1 . 2]" 1
180 1 39 GLY H 1 58 TYR QE . . 5.120 5.083 4.693 5.212 0.092 11 0 "[ . 1 . 2]" 1
181 1 39 GLY HA2 1 40 ARG H . . 3.040 2.805 2.106 3.654 0.614 8 1 "[ . + 1 . 2]" 1
182 1 39 GLY HA3 1 40 ARG H . . 3.600 3.123 2.111 3.665 0.065 14 0 "[ . 1 . 2]" 1
183 1 39 GLY HA3 1 41 MET H . . 4.860 4.773 3.861 5.220 0.360 15 0 "[ . 1 . 2]" 1
184 1 40 ARG H 1 40 ARG HB2 . . 3.100 2.939 2.457 3.870 0.770 5 1 "[ + 1 . 2]" 1
185 1 40 ARG H 1 40 ARG HB3 . . 4.180 3.834 3.188 4.087 . 0 0 "[ . 1 . 2]" 1
186 1 40 ARG H 1 40 ARG QD . . 4.640 3.160 1.826 4.168 . 0 0 "[ . 1 . 2]" 1
187 1 40 ARG H 1 40 ARG HE . . 5.420 5.013 3.804 5.496 0.076 7 0 "[ . 1 . 2]" 1
188 1 40 ARG H 1 40 ARG QG . . 3.640 3.483 2.226 3.746 0.106 17 0 "[ . 1 . 2]" 1
189 1 40 ARG H 1 41 MET HA . . 5.340 4.945 4.121 5.399 0.059 11 0 "[ . 1 . 2]" 1
190 1 40 ARG H 1 54 TYR QE . . 5.160 4.894 3.895 5.264 0.104 3 0 "[ . 1 . 2]" 1
191 1 40 ARG H 1 58 TYR QE . . 4.920 3.393 2.428 4.473 . 0 0 "[ . 1 . 2]" 1
192 1 40 ARG HA 1 40 ARG QD . . 4.100 3.245 2.477 3.716 . 0 0 "[ . 1 . 2]" 1
193 1 40 ARG HA 1 40 ARG HE . . 5.500 4.854 3.989 5.574 0.074 5 0 "[ . 1 . 2]" 1
194 1 40 ARG HA 1 40 ARG QG . . 3.420 2.187 2.007 3.482 0.062 5 0 "[ . 1 . 2]" 1
195 1 40 ARG HA 1 41 MET H . . 2.990 2.570 2.232 3.087 0.097 2 0 "[ . 1 . 2]" 1
196 1 40 ARG HA 1 42 SER H . . 4.540 3.760 3.182 4.442 . 0 0 "[ . 1 . 2]" 1
197 1 40 ARG HA 1 58 TYR QE . . 3.580 3.005 2.102 3.675 0.095 8 0 "[ . 1 . 2]" 1
198 1 40 ARG HB2 1 40 ARG QD . . 3.390 2.348 2.042 3.231 . 0 0 "[ . 1 . 2]" 1
199 1 40 ARG HB2 1 40 ARG HE . . 4.490 3.362 2.407 4.680 0.190 5 0 "[ . 1 . 2]" 1
200 1 40 ARG HB2 1 40 ARG QG . . 2.790 2.495 2.154 2.587 . 0 0 "[ . 1 . 2]" 1
201 1 40 ARG HB2 1 41 MET H . . 4.770 4.451 3.863 4.676 . 0 0 "[ . 1 . 2]" 1
202 1 40 ARG HB2 1 58 TYR QE . . 5.490 4.363 3.119 5.125 . 0 0 "[ . 1 . 2]" 1
203 1 40 ARG HB3 1 40 ARG HE . . 4.640 3.901 2.695 4.723 0.083 10 0 "[ . 1 . 2]" 1
204 1 40 ARG HB3 1 41 MET H . . 4.340 4.218 3.534 4.535 0.195 5 0 "[ . 1 . 2]" 1
205 1 40 ARG QD 1 54 TYR QE . . 5.430 4.686 3.718 5.197 . 0 0 "[ . 1 . 2]" 1
206 1 40 ARG QD 1 58 TYR QE . . 4.580 2.764 2.086 3.711 . 0 0 "[ . 1 . 2]" 1
207 1 40 ARG HE 1 40 ARG QG . . 3.900 2.695 2.169 3.296 . 0 0 "[ . 1 . 2]" 1
208 1 40 ARG QG 1 41 MET H . . 4.610 4.359 4.003 4.673 0.063 9 0 "[ . 1 . 2]" 1
209 1 40 ARG QG 1 54 TYR QE . . 4.360 3.311 2.387 4.447 0.087 10 0 "[ . 1 . 2]" 1
210 1 40 ARG QG 1 58 TYR QD . . 5.500 3.552 2.506 5.571 0.071 5 0 "[ . 1 . 2]" 1
211 1 40 ARG QG 1 58 TYR QE . . 4.130 2.874 2.126 4.214 0.084 5 0 "[ . 1 . 2]" 1
212 1 41 MET H 1 41 MET QB . . 3.520 2.515 2.057 3.141 . 0 0 "[ . 1 . 2]" 1
213 1 41 MET H 1 41 MET ME . . 5.500 4.440 3.928 5.256 . 0 0 "[ . 1 . 2]" 1
214 1 41 MET H 1 41 MET QG . . 3.670 2.878 1.824 3.777 0.107 1 0 "[ . 1 . 2]" 1
215 1 41 MET H 1 42 SER H . . 3.730 3.182 2.524 3.816 0.086 16 0 "[ . 1 . 2]" 1
216 1 41 MET H 1 54 TYR QE . . 4.860 3.750 2.468 4.818 . 0 0 "[ . 1 . 2]" 1
217 1 41 MET HA 1 41 MET ME . . 4.200 4.210 3.982 4.298 0.098 7 0 "[ . 1 . 2]" 1
218 1 41 MET HA 1 42 SER H . . 3.650 3.536 3.344 3.606 . 0 0 "[ . 1 . 2]" 1
219 1 41 MET QB 1 41 MET ME . . 2.830 2.042 1.907 2.362 . 0 0 "[ . 1 . 2]" 1
220 1 41 MET QB 1 42 SER H . . 3.580 2.733 2.148 3.337 . 0 0 "[ . 1 . 2]" 1
221 1 41 MET QB 1 43 TYR H . . 4.330 2.948 2.555 3.469 . 0 0 "[ . 1 . 2]" 1
222 1 41 MET QB 1 54 TYR QE . . 4.840 3.991 3.153 4.599 . 0 0 "[ . 1 . 2]" 1
223 1 41 MET QB 1 121 MET QG . . 3.690 3.376 3.181 3.561 . 0 0 "[ . 1 . 2]" 1
224 1 41 MET ME 1 42 SER H . . 5.330 4.227 3.648 4.806 . 0 0 "[ . 1 . 2]" 1
225 1 41 MET ME 1 43 TYR QB . . 4.230 3.137 2.125 4.143 . 0 0 "[ . 1 . 2]" 1
226 1 41 MET ME 1 43 TYR QD . . 4.170 2.288 1.916 2.972 . 0 0 "[ . 1 . 2]" 1
227 1 41 MET ME 1 43 TYR QE . . 3.730 2.788 1.951 3.585 . 0 0 "[ . 1 . 2]" 1
228 1 41 MET ME 1 54 TYR QE . . 4.660 4.059 3.231 4.679 0.019 17 0 "[ . 1 . 2]" 1
229 1 41 MET ME 1 117 ILE HA . . 3.790 2.396 1.979 3.317 . 0 0 "[ . 1 . 2]" 1
230 1 41 MET ME 1 117 ILE HB . . 2.660 2.319 1.970 2.615 . 0 0 "[ . 1 . 2]" 1
231 1 41 MET ME 1 117 ILE MD . . 3.640 3.582 2.133 3.776 0.136 9 0 "[ . 1 . 2]" 1
232 1 41 MET ME 1 117 ILE MG . . 3.750 2.637 2.304 2.988 . 0 0 "[ . 1 . 2]" 1
233 1 41 MET ME 1 121 MET HA . . 3.350 3.403 3.230 3.472 0.122 12 0 "[ . 1 . 2]" 1
234 1 41 MET ME 1 121 MET QG . . 2.950 1.924 1.751 2.132 . 0 0 "[ . 1 . 2]" 1
235 1 41 MET QG 1 42 SER H . . 4.370 2.964 1.684 4.409 0.039 4 0 "[ . 1 . 2]" 1
236 1 41 MET QG 1 43 TYR H . . 4.860 3.381 2.003 4.963 0.103 12 0 "[ . 1 . 2]" 1
237 1 42 SER H 1 42 SER HA . . 2.880 2.254 2.136 2.350 . 0 0 "[ . 1 . 2]" 1
238 1 42 SER H 1 42 SER HB2 . . 3.520 2.879 2.490 3.619 0.099 3 0 "[ . 1 . 2]" 1
239 1 42 SER H 1 42 SER HB3 . . 3.540 3.548 2.898 3.630 0.090 9 0 "[ . 1 . 2]" 1
240 1 42 SER H 1 43 TYR H . . 4.140 2.988 2.729 3.204 . 0 0 "[ . 1 . 2]" 1
241 1 42 SER HA 1 42 SER HB2 . . 2.890 2.622 2.464 3.015 0.125 13 0 "[ . 1 . 2]" 1
242 1 42 SER HA 1 42 SER HB3 . . 3.060 2.898 2.147 3.040 . 0 0 "[ . 1 . 2]" 1
243 1 42 SER HA 1 43 TYR H . . 3.040 2.788 2.448 3.089 0.049 19 0 "[ . 1 . 2]" 1
244 1 42 SER HA 1 54 TYR QE . . 5.500 4.103 3.000 5.550 0.050 12 0 "[ . 1 . 2]" 1
245 1 42 SER HB3 1 43 TYR H . . 4.370 4.283 4.007 4.545 0.175 20 0 "[ . 1 . 2]" 1
246 1 43 TYR H 1 43 TYR QB . . 3.670 2.297 1.871 2.647 . 0 0 "[ . 1 . 2]" 1
247 1 43 TYR H 1 43 TYR QD . . 4.080 3.106 2.422 3.557 . 0 0 "[ . 1 . 2]" 1
248 1 43 TYR H 1 43 TYR QE . . 5.500 4.884 4.151 5.596 0.096 4 0 "[ . 1 . 2]" 1
249 1 43 TYR H 1 44 GLN H . . 4.600 4.416 3.246 4.638 0.038 12 0 "[ . 1 . 2]" 1
250 1 43 TYR HA 1 43 TYR QD . . 3.390 2.694 2.121 3.517 0.127 9 0 "[ . 1 . 2]" 1
251 1 43 TYR HA 1 44 GLN H . . 3.170 2.376 2.010 2.863 . 0 0 "[ . 1 . 2]" 1
252 1 43 TYR HA 1 44 GLN QG . . 3.600 3.592 2.485 3.704 0.104 17 0 "[ . 1 . 2]" 1
253 1 43 TYR QB 1 44 GLN H . . 4.630 2.548 1.844 4.032 . 0 0 "[ . 1 . 2]" 1
254 1 43 TYR QB 1 44 GLN HE21 . . 4.790 3.682 2.205 4.651 . 0 0 "[ . 1 . 2]" 1
255 1 43 TYR QD 1 44 GLN H . . 4.870 3.250 1.992 4.218 . 0 0 "[ . 1 . 2]" 1
256 1 43 TYR QE 1 120 GLU HB2 . . 4.020 3.398 2.174 4.110 0.090 10 0 "[ . 1 . 2]" 1
257 1 43 TYR QE 1 120 GLU HB3 . . 3.850 2.446 2.015 2.958 . 0 0 "[ . 1 . 2]" 1
258 1 43 TYR QE 1 120 GLU QG . . 4.520 3.538 1.908 4.405 . 0 0 "[ . 1 . 2]" 1
259 1 43 TYR QE 1 121 MET QG . . 4.430 4.124 2.495 4.411 . 0 0 "[ . 1 . 2]" 1
260 1 44 GLN H 1 44 GLN HB2 . . 3.550 2.846 2.447 3.697 0.147 6 0 "[ . 1 . 2]" 1
261 1 44 GLN H 1 44 GLN HB3 . . 3.840 3.438 2.490 3.910 0.070 13 0 "[ . 1 . 2]" 1
262 1 44 GLN H 1 44 GLN HE21 . . 5.310 2.735 2.051 3.968 . 0 0 "[ . 1 . 2]" 1
263 1 44 GLN H 1 44 GLN HE22 . . 5.500 3.625 2.738 4.786 . 0 0 "[ . 1 . 2]" 1
264 1 44 GLN H 1 44 GLN QG . . 3.990 2.423 1.992 3.125 . 0 0 "[ . 1 . 2]" 1
265 1 44 GLN HA 1 44 GLN HE21 . . 5.160 4.076 2.220 5.188 0.028 10 0 "[ . 1 . 2]" 1
266 1 44 GLN HA 1 44 GLN HE22 . . 5.500 4.979 3.246 5.594 0.094 1 0 "[ . 1 . 2]" 1
267 1 44 GLN HA 1 44 GLN QG . . 3.400 2.823 2.293 3.482 0.082 10 0 "[ . 1 . 2]" 1
268 1 44 GLN HB2 1 44 GLN HE22 . . 5.500 4.302 3.374 5.371 . 0 0 "[ . 1 . 2]" 1
269 1 44 GLN HB2 1 44 GLN QG . . 2.670 2.384 2.168 2.555 . 0 0 "[ . 1 . 2]" 1
270 1 44 GLN HB3 1 44 GLN HE22 . . 5.500 4.733 3.315 5.292 . 0 0 "[ . 1 . 2]" 1
271 1 44 GLN HB3 1 44 GLN QG . . 2.630 2.269 2.141 2.521 . 0 0 "[ . 1 . 2]" 1
272 1 45 PHE HA 1 45 PHE QD . . 3.940 2.833 2.416 3.140 . 0 0 "[ . 1 . 2]" 1
273 1 45 PHE HA 1 45 PHE QE . . 4.620 4.544 4.325 4.694 0.074 4 0 "[ . 1 . 2]" 1
274 1 45 PHE HA 1 46 ASN H . . 3.120 2.418 2.124 2.706 . 0 0 "[ . 1 . 2]" 1
275 1 45 PHE HB2 1 46 ASN H . . 3.490 3.637 3.187 3.778 0.288 2 0 "[ . 1 . 2]" 1
276 1 45 PHE HB2 1 51 SER H . . 4.810 3.721 3.036 4.483 . 0 0 "[ . 1 . 2]" 1
277 1 45 PHE HB2 1 51 SER QB . . 3.820 2.569 2.121 2.841 . 0 0 "[ . 1 . 2]" 1
278 1 45 PHE HB3 1 46 ASN H . . 3.690 2.321 1.963 2.587 . 0 0 "[ . 1 . 2]" 1
279 1 45 PHE HB3 1 47 ASN H . . 3.990 2.554 2.194 2.920 . 0 0 "[ . 1 . 2]" 1
280 1 45 PHE QD 1 46 ASN H . . 4.430 3.239 2.632 3.530 . 0 0 "[ . 1 . 2]" 1
281 1 45 PHE QD 1 50 GLU HB3 . . 4.290 2.474 2.196 2.919 . 0 0 "[ . 1 . 2]" 1
282 1 45 PHE QD 1 50 GLU QG . . 4.310 3.750 3.059 4.065 . 0 0 "[ . 1 . 2]" 1
283 1 45 PHE QD 1 51 SER HA . . 3.640 3.086 2.365 3.492 . 0 0 "[ . 1 . 2]" 1
284 1 45 PHE QD 1 51 SER QB . . 3.370 2.611 2.160 3.259 . 0 0 "[ . 1 . 2]" 1
285 1 45 PHE QD 1 113 VAL HA . . 5.480 4.477 3.246 4.961 . 0 0 "[ . 1 . 2]" 1
286 1 45 PHE QD 1 113 VAL QG . . 4.910 3.535 3.224 4.058 . 0 0 "[ . 1 . 2]" 1
287 1 45 PHE QE 1 51 SER HA . . 5.350 2.830 2.253 3.204 . 0 0 "[ . 1 . 2]" 1
288 1 45 PHE QE 1 51 SER QB . . 4.410 3.894 3.004 4.502 0.092 13 0 "[ . 1 . 2]" 1
289 1 45 PHE QE 1 113 VAL HA . . 3.840 3.597 2.270 3.936 0.096 8 0 "[ . 1 . 2]" 1
290 1 45 PHE QE 1 113 VAL QG . . 3.920 2.267 1.946 3.334 . 0 0 "[ . 1 . 2]" 1
291 1 45 PHE QE 1 117 ILE MG . . 4.540 2.305 1.947 2.695 . 0 0 "[ . 1 . 2]" 1
292 1 45 PHE HZ 1 51 SER HA . . 4.060 3.691 3.177 4.135 0.075 4 0 "[ . 1 . 2]" 1
293 1 45 PHE HZ 1 113 VAL QG . . 4.540 3.218 2.121 4.408 . 0 0 "[ . 1 . 2]" 1
294 1 45 PHE HZ 1 117 ILE MD . . 4.510 4.413 3.970 4.602 0.092 18 0 "[ . 1 . 2]" 1
295 1 45 PHE HZ 1 117 ILE MG . . 4.030 2.324 2.127 2.724 . 0 0 "[ . 1 . 2]" 1
296 1 46 ASN H 1 46 ASN HA . . 3.120 2.949 2.838 2.998 . 0 0 "[ . 1 . 2]" 1
297 1 46 ASN H 1 46 ASN HB2 . . 3.540 2.836 2.381 3.800 0.260 15 0 "[ . 1 . 2]" 1
298 1 46 ASN H 1 46 ASN HD21 . . 5.080 4.059 2.493 4.866 . 0 0 "[ . 1 . 2]" 1
299 1 46 ASN H 1 46 ASN HD22 . . 4.930 4.516 3.381 5.175 0.245 5 0 "[ . 1 . 2]" 1
300 1 46 ASN H 1 47 ASN H . . 3.310 2.329 2.041 2.877 . 0 0 "[ . 1 . 2]" 1
301 1 46 ASN H 1 50 GLU QG . . 4.620 4.221 3.198 4.538 . 0 0 "[ . 1 . 2]" 1
302 1 46 ASN HA 1 46 ASN HD22 . . 5.290 4.824 4.118 5.355 0.065 6 0 "[ . 1 . 2]" 1
303 1 46 ASN HA 1 47 ASN H . . 3.700 3.595 3.508 3.707 0.007 13 0 "[ . 1 . 2]" 1
304 1 46 ASN HB2 1 46 ASN HD21 . . 3.630 2.576 2.155 3.681 0.051 15 0 "[ . 1 . 2]" 1
305 1 46 ASN HB2 1 46 ASN HD22 . . 3.890 3.630 3.436 4.097 0.207 15 0 "[ . 1 . 2]" 1
306 1 46 ASN HB2 1 47 ASN H . . 3.980 3.225 2.586 4.494 0.514 9 2 "[ . +1- . 2]" 1
307 1 46 ASN HB2 1 47 ASN QD . . 4.770 2.721 1.956 5.081 0.311 5 0 "[ . 1 . 2]" 1
308 1 46 ASN HD21 1 47 ASN QD . . 4.910 3.457 2.129 4.517 . 0 0 "[ . 1 . 2]" 1
309 1 46 ASN HD22 1 47 ASN QD . . 5.280 4.499 2.259 5.105 . 0 0 "[ . 1 . 2]" 1
310 1 47 ASN H 1 47 ASN QB . . 3.110 2.790 2.517 3.231 0.121 11 0 "[ . 1 . 2]" 1
311 1 47 ASN H 1 47 ASN QD . . 4.060 2.979 1.861 3.545 . 0 0 "[ . 1 . 2]" 1
312 1 47 ASN H 1 48 PRO HD3 . . 4.950 4.869 4.631 5.010 0.060 8 0 "[ . 1 . 2]" 1
313 1 47 ASN H 1 50 GLU H . . 3.820 3.869 3.740 3.904 0.084 18 0 "[ . 1 . 2]" 1
314 1 47 ASN H 1 50 GLU HB3 . . 4.700 4.680 4.296 5.141 0.441 5 0 "[ . 1 . 2]" 1
315 1 47 ASN H 1 50 GLU QG . . 4.310 3.188 2.329 3.997 . 0 0 "[ . 1 . 2]" 1
316 1 47 ASN H 1 51 SER H . . 4.600 4.536 4.090 4.658 0.058 16 0 "[ . 1 . 2]" 1
317 1 47 ASN H 1 51 SER QB . . 4.970 4.887 4.487 5.057 0.087 14 0 "[ . 1 . 2]" 1
318 1 47 ASN HA 1 48 PRO HD2 . . 4.040 2.549 2.413 2.831 . 0 0 "[ . 1 . 2]" 1
319 1 47 ASN HA 1 48 PRO HD3 . . 3.010 2.391 2.235 2.566 . 0 0 "[ . 1 . 2]" 1
320 1 47 ASN HA 1 49 MET H . . 4.700 4.252 3.746 4.516 . 0 0 "[ . 1 . 2]" 1
321 1 47 ASN QB 1 48 PRO HD2 . . 3.350 2.241 2.033 2.447 . 0 0 "[ . 1 . 2]" 1
322 1 47 ASN QB 1 48 PRO HD3 . . 3.410 3.464 3.238 3.505 0.095 1 0 "[ . 1 . 2]" 1
323 1 47 ASN QB 1 49 MET H . . 4.140 2.797 2.435 3.468 . 0 0 "[ . 1 . 2]" 1
324 1 47 ASN QB 1 49 MET ME . . 4.140 4.029 3.543 4.268 0.128 5 0 "[ . 1 . 2]" 1
325 1 47 ASN QB 1 50 GLU H . . 4.290 3.174 2.536 4.395 0.105 5 0 "[ . 1 . 2]" 1
326 1 47 ASN QD 1 50 GLU QG . . 4.920 3.255 1.927 4.584 . 0 0 "[ . 1 . 2]" 1
327 1 48 PRO HA 1 49 MET H . . 4.030 3.576 3.428 3.644 . 0 0 "[ . 1 . 2]" 1
328 1 48 PRO HA 1 51 SER H . . 4.210 3.119 2.921 3.270 . 0 0 "[ . 1 . 2]" 1
329 1 48 PRO HA 1 51 SER QB . . 3.200 2.389 1.973 2.603 . 0 0 "[ . 1 . 2]" 1
330 1 48 PRO HA 1 52 ARG H . . 4.410 3.909 3.728 4.133 . 0 0 "[ . 1 . 2]" 1
331 1 48 PRO HB2 1 49 MET H . . 3.670 3.665 3.483 3.744 0.074 9 0 "[ . 1 . 2]" 1
332 1 48 PRO HB2 1 50 GLU H . . 5.500 5.441 5.315 5.575 0.075 13 0 "[ . 1 . 2]" 1
333 1 48 PRO HB2 1 51 SER H . . 5.060 5.126 5.036 5.147 0.087 12 0 "[ . 1 . 2]" 1
334 1 48 PRO HB3 1 49 MET H . . 4.410 4.403 4.303 4.485 0.075 9 0 "[ . 1 . 2]" 1
335 1 48 PRO HD2 1 49 MET H . . 4.180 2.852 2.400 3.188 . 0 0 "[ . 1 . 2]" 1
336 1 48 PRO HD3 1 49 MET H . . 4.140 4.013 3.674 4.198 0.058 20 0 "[ . 1 . 2]" 1
337 1 49 MET H 1 49 MET HB2 . . 3.640 2.442 1.973 3.548 . 0 0 "[ . 1 . 2]" 1
338 1 49 MET H 1 49 MET HB3 . . 3.470 2.898 2.363 3.498 0.028 2 0 "[ . 1 . 2]" 1
339 1 49 MET H 1 49 MET ME . . 4.180 4.218 3.889 4.295 0.115 6 0 "[ . 1 . 2]" 1
340 1 49 MET H 1 49 MET HG2 . . 4.300 3.827 2.148 4.391 0.091 9 0 "[ . 1 . 2]" 1
341 1 49 MET H 1 49 MET HG3 . . 3.970 3.641 3.066 4.055 0.085 5 0 "[ . 1 . 2]" 1
342 1 49 MET H 1 50 GLU H . . 3.200 2.736 2.575 2.877 . 0 0 "[ . 1 . 2]" 1
343 1 49 MET H 1 51 SER H . . 4.440 4.206 4.079 4.315 . 0 0 "[ . 1 . 2]" 1
344 1 49 MET H 1 51 SER QB . . 4.800 4.842 4.560 4.900 0.100 19 0 "[ . 1 . 2]" 1
345 1 49 MET H 1 109 LEU QD . . 5.180 4.786 4.554 4.921 . 0 0 "[ . 1 . 2]" 1
346 1 49 MET HA 1 49 MET HG2 . . 3.650 2.938 2.545 3.683 0.033 19 0 "[ . 1 . 2]" 1
347 1 49 MET HA 1 49 MET HG3 . . 3.700 2.660 2.180 3.743 0.043 11 0 "[ . 1 . 2]" 1
348 1 49 MET HA 1 50 GLU H . . 4.070 3.610 3.560 3.684 . 0 0 "[ . 1 . 2]" 1
349 1 49 MET HA 1 51 SER H . . 4.870 4.514 4.292 4.771 . 0 0 "[ . 1 . 2]" 1
350 1 49 MET HA 1 52 ARG H . . 3.800 3.591 3.245 3.826 0.026 6 0 "[ . 1 . 2]" 1
351 1 49 MET HA 1 52 ARG QB . . 3.240 2.844 2.105 3.338 0.098 20 0 "[ . 1 . 2]" 1
352 1 49 MET HA 1 109 LEU QD . . 4.310 3.884 3.622 4.020 . 0 0 "[ . 1 . 2]" 1
353 1 49 MET HB2 1 49 MET ME . . 2.800 2.472 2.232 2.841 0.041 7 0 "[ . 1 . 2]" 1
354 1 49 MET HB2 1 50 GLU H . . 3.890 3.489 2.910 4.092 0.202 19 0 "[ . 1 . 2]" 1
355 1 49 MET HB2 1 109 LEU QD . . 4.100 3.461 2.212 3.912 . 0 0 "[ . 1 . 2]" 1
356 1 49 MET HB3 1 49 MET ME . . 2.400 2.226 2.065 2.472 0.072 11 0 "[ . 1 . 2]" 1
357 1 49 MET HB3 1 49 MET HG2 . . 3.020 2.421 2.281 2.677 . 0 0 "[ . 1 . 2]" 1
358 1 49 MET HB3 1 109 LEU QD . . 3.600 2.871 2.344 3.738 0.138 19 0 "[ . 1 . 2]" 1
359 1 49 MET ME 1 49 MET HG2 . . 3.650 2.840 2.577 3.403 . 0 0 "[ . 1 . 2]" 1
360 1 49 MET ME 1 49 MET HG3 . . 3.750 3.200 2.432 3.451 . 0 0 "[ . 1 . 2]" 1
361 1 49 MET ME 1 109 LEU HB2 . . 5.500 3.815 2.524 5.275 . 0 0 "[ . 1 . 2]" 1
362 1 49 MET ME 1 109 LEU HB3 . . 5.060 4.683 3.834 5.561 0.501 19 1 "[ . 1 . +2]" 1
363 1 49 MET ME 1 109 LEU QD . . 3.240 1.992 1.890 2.333 . 0 0 "[ . 1 . 2]" 1
364 1 49 MET ME 1 109 LEU HG . . 4.330 3.858 2.331 4.443 0.113 5 0 "[ . 1 . 2]" 1
365 1 49 MET HG2 1 50 GLU H . . 5.050 4.068 1.996 5.114 0.064 2 0 "[ . 1 . 2]" 1
366 1 49 MET HG2 1 109 LEU QD . . 3.840 2.707 1.951 3.486 . 0 0 "[ . 1 . 2]" 1
367 1 49 MET HG3 1 50 GLU H . . 5.180 4.434 2.554 5.144 . 0 0 "[ . 1 . 2]" 1
368 1 49 MET HG3 1 109 LEU QD . . 4.360 3.297 1.970 4.147 . 0 0 "[ . 1 . 2]" 1
369 1 50 GLU H 1 50 GLU HB2 . . 4.080 2.518 2.181 2.788 . 0 0 "[ . 1 . 2]" 1
370 1 50 GLU H 1 50 GLU HB3 . . 3.960 3.572 3.452 3.652 . 0 0 "[ . 1 . 2]" 1
371 1 50 GLU H 1 50 GLU QG . . 3.470 2.185 1.944 3.230 . 0 0 "[ . 1 . 2]" 1
372 1 50 GLU H 1 51 SER H . . 3.550 2.512 2.440 2.647 . 0 0 "[ . 1 . 2]" 1
373 1 50 GLU H 1 51 SER QB . . 4.080 4.117 3.994 4.175 0.095 5 0 "[ . 1 . 2]" 1
374 1 50 GLU H 1 52 ARG H . . 4.460 4.163 3.834 4.292 . 0 0 "[ . 1 . 2]" 1
375 1 50 GLU H 1 109 LEU QD . . 4.720 3.754 3.272 4.068 . 0 0 "[ . 1 . 2]" 1
376 1 50 GLU HA 1 50 GLU QG . . 3.690 2.650 2.313 3.338 . 0 0 "[ . 1 . 2]" 1
377 1 50 GLU HA 1 51 SER H . . 4.640 3.535 3.480 3.581 . 0 0 "[ . 1 . 2]" 1
378 1 50 GLU HA 1 52 ARG H . . 4.880 4.634 4.316 4.839 . 0 0 "[ . 1 . 2]" 1
379 1 50 GLU HA 1 53 TYR H . . 4.180 3.609 3.241 3.948 . 0 0 "[ . 1 . 2]" 1
380 1 50 GLU HA 1 53 TYR HB2 . . 4.260 3.483 2.634 4.210 . 0 0 "[ . 1 . 2]" 1
381 1 50 GLU HA 1 54 TYR H . . 4.850 4.007 3.780 4.243 . 0 0 "[ . 1 . 2]" 1
382 1 50 GLU HA 1 109 LEU QD . . 3.570 2.535 2.092 2.917 . 0 0 "[ . 1 . 2]" 1
383 1 50 GLU HA 1 113 VAL QG . . 3.240 2.169 1.885 2.977 . 0 0 "[ . 1 . 2]" 1
384 1 50 GLU HB2 1 51 SER H . . 4.840 2.597 2.330 2.894 . 0 0 "[ . 1 . 2]" 1
385 1 50 GLU HB3 1 51 SER H . . 4.570 3.750 3.243 4.053 . 0 0 "[ . 1 . 2]" 1
386 1 50 GLU HB3 1 113 VAL QG . . 3.820 2.167 1.975 2.652 . 0 0 "[ . 1 . 2]" 1
387 1 50 GLU QG 1 51 SER H . . 4.440 3.903 3.764 4.173 . 0 0 "[ . 1 . 2]" 1
388 1 50 GLU QG 1 109 LEU QD . . 3.770 2.803 2.171 3.547 . 0 0 "[ . 1 . 2]" 1
389 1 50 GLU QG 1 112 THR MG . . 3.810 3.118 2.064 3.763 . 0 0 "[ . 1 . 2]" 1
390 1 50 GLU QG 1 113 VAL QG . . 3.830 2.650 2.084 3.277 . 0 0 "[ . 1 . 2]" 1
391 1 51 SER H 1 51 SER QB . . 3.600 2.104 1.935 2.270 . 0 0 "[ . 1 . 2]" 1
392 1 51 SER H 1 52 ARG H . . 3.530 2.740 2.540 3.056 . 0 0 "[ . 1 . 2]" 1
393 1 51 SER HA 1 51 SER QB . . 2.740 2.391 2.171 2.514 . 0 0 "[ . 1 . 2]" 1
394 1 51 SER HA 1 52 ARG H . . 4.320 3.607 3.510 3.667 . 0 0 "[ . 1 . 2]" 1
395 1 51 SER HA 1 53 TYR H . . 4.700 4.626 4.401 4.753 0.053 1 0 "[ . 1 . 2]" 1
396 1 51 SER HA 1 54 TYR H . . 4.240 3.625 3.358 3.823 . 0 0 "[ . 1 . 2]" 1
397 1 51 SER HA 1 54 TYR QB . . 3.790 2.765 2.484 2.980 . 0 0 "[ . 1 . 2]" 1
398 1 52 ARG H 1 52 ARG QB . . 2.910 2.090 1.981 2.244 . 0 0 "[ . 1 . 2]" 1
399 1 52 ARG H 1 52 ARG QD . . 4.710 4.553 3.596 4.802 0.092 4 0 "[ . 1 . 2]" 1
400 1 52 ARG H 1 52 ARG HE . . 5.500 5.342 4.792 5.598 0.098 5 0 "[ . 1 . 2]" 1
401 1 52 ARG H 1 52 ARG HG2 . . 4.390 4.272 3.695 4.451 0.061 1 0 "[ . 1 . 2]" 1
402 1 52 ARG H 1 52 ARG HG3 . . 4.170 4.061 2.673 4.461 0.291 16 0 "[ . 1 . 2]" 1
403 1 52 ARG H 1 53 TYR H . . 3.490 2.639 2.349 2.761 . 0 0 "[ . 1 . 2]" 1
404 1 52 ARG H 1 54 TYR H . . 4.150 4.183 3.924 4.233 0.083 4 0 "[ . 1 . 2]" 1
405 1 52 ARG H 1 54 TYR QB . . 5.280 4.882 4.661 5.039 . 0 0 "[ . 1 . 2]" 1
406 1 52 ARG HA 1 52 ARG QB . . 2.710 2.308 2.094 2.475 . 0 0 "[ . 1 . 2]" 1
407 1 52 ARG HA 1 52 ARG QD . . 3.350 3.244 2.874 3.469 0.119 18 0 "[ . 1 . 2]" 1
408 1 52 ARG HA 1 52 ARG HE . . 5.400 3.871 2.113 5.471 0.071 7 0 "[ . 1 . 2]" 1
409 1 52 ARG HA 1 52 ARG HG2 . . 4.010 3.289 2.066 4.108 0.098 20 0 "[ . 1 . 2]" 1
410 1 52 ARG HA 1 52 ARG HG3 . . 3.570 3.572 3.254 3.657 0.087 20 0 "[ . 1 . 2]" 1
411 1 52 ARG HA 1 53 TYR H . . 3.980 3.611 3.497 3.683 . 0 0 "[ . 1 . 2]" 1
412 1 52 ARG HA 1 55 ASN H . . 3.860 3.279 2.802 3.585 . 0 0 "[ . 1 . 2]" 1
413 1 52 ARG HA 1 55 ASN HB2 . . 3.220 2.618 2.288 4.032 0.812 19 2 "[ . 1 .- +2]" 1
414 1 52 ARG HA 1 55 ASN HB3 . . 3.940 3.860 2.401 4.026 0.086 4 0 "[ . 1 . 2]" 1
415 1 52 ARG HA 1 55 ASN HD21 . . 4.370 3.379 2.927 3.717 . 0 0 "[ . 1 . 2]" 1
416 1 52 ARG HA 1 55 ASN HD22 . . 4.690 4.611 3.831 4.774 0.084 1 0 "[ . 1 . 2]" 1
417 1 52 ARG HA 1 56 ASP H . . 4.370 3.960 3.647 4.409 0.039 19 0 "[ . 1 . 2]" 1
418 1 52 ARG QB 1 52 ARG QD . . 2.960 2.710 2.068 3.069 0.109 14 0 "[ . 1 . 2]" 1
419 1 52 ARG QB 1 52 ARG HE . . 4.400 3.224 2.618 3.981 . 0 0 "[ . 1 . 2]" 1
420 1 52 ARG QB 1 52 ARG HG3 . . 2.640 2.223 2.108 2.405 . 0 0 "[ . 1 . 2]" 1
421 1 52 ARG QB 1 53 TYR H . . 3.410 2.828 2.580 3.481 0.071 20 0 "[ . 1 . 2]" 1
422 1 52 ARG QD 1 52 ARG HG3 . . 2.790 2.267 2.088 2.542 . 0 0 "[ . 1 . 2]" 1
423 1 52 ARG QD 1 53 TYR HA . . 3.770 3.335 2.342 3.833 0.063 10 0 "[ . 1 . 2]" 1
424 1 52 ARG QD 1 55 ASN H . . 4.790 4.582 4.175 4.862 0.072 18 0 "[ . 1 . 2]" 1
425 1 52 ARG HE 1 53 TYR HA . . 5.070 4.707 2.675 5.156 0.086 13 0 "[ . 1 . 2]" 1
426 1 52 ARG HG2 1 53 TYR H . . 5.160 4.445 3.915 4.763 . 0 0 "[ . 1 . 2]" 1
427 1 52 ARG HG3 1 53 TYR H . . 4.680 3.784 2.216 5.239 0.559 11 5 "[ .* - 1+* .* 2]" 1
428 1 53 TYR H 1 53 TYR HB2 . . 3.390 2.408 2.201 2.802 . 0 0 "[ . 1 . 2]" 1
429 1 53 TYR H 1 53 TYR HB3 . . 3.460 2.574 2.259 2.787 . 0 0 "[ . 1 . 2]" 1
430 1 53 TYR H 1 53 TYR QD . . 4.280 4.091 3.911 4.193 . 0 0 "[ . 1 . 2]" 1
431 1 53 TYR H 1 54 TYR H . . 3.670 2.810 2.697 2.965 . 0 0 "[ . 1 . 2]" 1
432 1 53 TYR H 1 109 LEU QD . . 4.490 3.891 3.642 4.081 . 0 0 "[ . 1 . 2]" 1
433 1 53 TYR H 1 113 VAL QG . . 4.770 4.089 3.823 4.454 . 0 0 "[ . 1 . 2]" 1
434 1 53 TYR HA 1 53 TYR QD . . 3.880 3.012 2.397 3.223 . 0 0 "[ . 1 . 2]" 1
435 1 53 TYR HA 1 54 TYR H . . 4.230 3.621 3.563 3.655 . 0 0 "[ . 1 . 2]" 1
436 1 53 TYR HA 1 55 ASN H . . 4.720 4.034 3.607 4.476 . 0 0 "[ . 1 . 2]" 1
437 1 53 TYR HA 1 56 ASP H . . 4.240 3.480 3.181 3.936 . 0 0 "[ . 1 . 2]" 1
438 1 53 TYR HA 1 56 ASP HB2 . . 3.870 3.470 2.715 3.947 0.077 8 0 "[ . 1 . 2]" 1
439 1 53 TYR HA 1 56 ASP HB3 . . 3.880 3.373 2.475 3.970 0.090 18 0 "[ . 1 . 2]" 1
440 1 53 TYR HA 1 57 TYR H . . 4.850 3.793 3.399 4.511 . 0 0 "[ . 1 . 2]" 1
441 1 53 TYR HB2 1 54 TYR H . . 4.040 3.804 3.584 4.048 0.008 8 0 "[ . 1 . 2]" 1
442 1 53 TYR HB2 1 109 LEU QD . . 4.090 2.392 2.132 2.810 . 0 0 "[ . 1 . 2]" 1
443 1 53 TYR HB3 1 54 TYR H . . 3.760 2.523 2.401 2.675 . 0 0 "[ . 1 . 2]" 1
444 1 53 TYR HB3 1 61 MET ME . . 4.290 4.285 3.925 4.406 0.116 15 0 "[ . 1 . 2]" 1
445 1 53 TYR HB3 1 109 LEU QD . . 5.410 3.048 2.575 3.562 . 0 0 "[ . 1 . 2]" 1
446 1 53 TYR HB3 1 113 VAL QG . . 3.760 2.373 2.019 2.944 . 0 0 "[ . 1 . 2]" 1
447 1 53 TYR QD 1 54 TYR H . . 4.560 3.460 2.632 3.996 . 0 0 "[ . 1 . 2]" 1
448 1 53 TYR QD 1 61 MET ME . . 3.530 2.596 2.286 3.066 . 0 0 "[ . 1 . 2]" 1
449 1 53 TYR QD 1 106 LEU QD . . 5.500 4.144 3.317 5.394 . 0 0 "[ . 1 . 2]" 1
450 1 53 TYR QD 1 109 LEU QD . . 3.770 2.386 1.959 3.083 . 0 0 "[ . 1 . 2]" 1
451 1 53 TYR QD 1 109 LEU HG . . 4.320 3.714 3.082 4.424 0.104 4 0 "[ . 1 . 2]" 1
452 1 53 TYR QD 1 110 ASP HA . . 4.380 3.554 3.065 3.958 . 0 0 "[ . 1 . 2]" 1
453 1 53 TYR QD 1 113 VAL HB . . 3.730 3.323 2.376 3.843 0.113 19 0 "[ . 1 . 2]" 1
454 1 53 TYR QD 1 113 VAL QG . . 3.640 2.313 1.872 2.968 . 0 0 "[ . 1 . 2]" 1
455 1 53 TYR QE 1 61 MET ME . . 2.940 2.627 1.984 3.046 0.106 18 0 "[ . 1 . 2]" 1
456 1 53 TYR QE 1 106 LEU QD . . 5.500 2.957 2.013 4.978 . 0 0 "[ . 1 . 2]" 1
457 1 53 TYR QE 1 109 LEU QD . . 4.350 3.235 2.501 4.124 . 0 0 "[ . 1 . 2]" 1
458 1 53 TYR QE 1 109 LEU HG . . 5.290 4.319 3.677 5.346 0.056 6 0 "[ . 1 . 2]" 1
459 1 53 TYR QE 1 110 ASP HA . . 3.400 2.523 2.111 3.225 . 0 0 "[ . 1 . 2]" 1
460 1 53 TYR QE 1 113 VAL QG . . 4.520 3.406 2.266 4.154 . 0 0 "[ . 1 . 2]" 1
461 1 54 TYR H 1 54 TYR QB . . 3.490 2.183 2.092 2.279 . 0 0 "[ . 1 . 2]" 1
462 1 54 TYR H 1 54 TYR QD . . 4.350 4.190 4.116 4.282 . 0 0 "[ . 1 . 2]" 1
463 1 54 TYR H 1 55 ASN H . . 3.290 2.802 2.679 2.922 . 0 0 "[ . 1 . 2]" 1
464 1 54 TYR H 1 113 VAL QG . . 4.630 3.008 2.703 3.566 . 0 0 "[ . 1 . 2]" 1
465 1 54 TYR HA 1 54 TYR QD . . 3.580 2.913 2.348 3.305 . 0 0 "[ . 1 . 2]" 1
466 1 54 TYR HA 1 54 TYR QE . . 4.940 4.760 4.555 5.008 0.068 16 0 "[ . 1 . 2]" 1
467 1 54 TYR HA 1 55 ASN H . . 4.150 3.448 3.290 3.579 . 0 0 "[ . 1 . 2]" 1
468 1 54 TYR HA 1 55 ASN HD21 . . 4.970 5.034 4.811 5.086 0.116 16 0 "[ . 1 . 2]" 1
469 1 54 TYR HA 1 57 TYR H . . 4.460 3.765 3.108 4.189 . 0 0 "[ . 1 . 2]" 1
470 1 54 TYR HA 1 57 TYR QB . . 3.790 3.334 2.702 3.790 . 0 0 "[ . 1 . 2]" 1
471 1 54 TYR HA 1 61 MET ME . . 4.380 2.165 1.901 2.789 . 0 0 "[ . 1 . 2]" 1
472 1 54 TYR HA 1 113 VAL QG . . 4.180 3.319 2.522 4.135 . 0 0 "[ . 1 . 2]" 1
473 1 54 TYR QB 1 113 VAL QG . . 3.730 2.399 2.046 3.519 . 0 0 "[ . 1 . 2]" 1
474 1 54 TYR QD 1 55 ASN H . . 4.350 3.936 2.982 4.434 0.084 15 0 "[ . 1 . 2]" 1
475 1 54 TYR QD 1 61 MET ME . . 5.200 2.666 2.014 4.103 . 0 0 "[ . 1 . 2]" 1
476 1 54 TYR QD 1 113 VAL QG . . 3.750 3.057 2.738 3.772 0.022 2 0 "[ . 1 . 2]" 1
477 1 54 TYR QD 1 117 ILE MD . . 4.020 2.590 2.050 3.895 . 0 0 "[ . 1 . 2]" 1
478 1 54 TYR QD 1 117 ILE MG . . 4.460 2.766 2.263 3.824 . 0 0 "[ . 1 . 2]" 1
479 1 54 TYR QE 1 62 PRO QG . . 5.060 4.160 2.595 4.984 . 0 0 "[ . 1 . 2]" 1
480 1 54 TYR QE 1 117 ILE MD . . 3.820 2.348 2.044 3.582 . 0 0 "[ . 1 . 2]" 1
481 1 54 TYR QE 1 117 ILE MG . . 4.170 3.345 2.518 4.204 0.034 2 0 "[ . 1 . 2]" 1
482 1 55 ASN H 1 55 ASN HB2 . . 3.340 2.399 2.197 3.389 0.049 16 0 "[ . 1 . 2]" 1
483 1 55 ASN H 1 55 ASN HB3 . . 3.540 3.396 2.126 3.600 0.060 15 0 "[ . 1 . 2]" 1
484 1 55 ASN H 1 55 ASN HD21 . . 3.600 2.535 2.105 2.961 . 0 0 "[ . 1 . 2]" 1
485 1 55 ASN H 1 55 ASN HD22 . . 5.210 4.182 3.719 4.557 . 0 0 "[ . 1 . 2]" 1
486 1 55 ASN H 1 56 ASP H . . 3.560 2.423 1.975 2.720 . 0 0 "[ . 1 . 2]" 1
487 1 55 ASN H 1 57 TYR H . . 4.760 3.710 3.280 4.035 . 0 0 "[ . 1 . 2]" 1
488 1 55 ASN HA 1 55 ASN HB2 . . 3.020 2.966 2.229 3.067 0.047 4 0 "[ . 1 . 2]" 1
489 1 55 ASN HA 1 55 ASN HD21 . . 4.630 3.448 3.159 3.770 . 0 0 "[ . 1 . 2]" 1
490 1 55 ASN HA 1 56 ASP H . . 4.490 3.526 3.245 3.614 . 0 0 "[ . 1 . 2]" 1
491 1 55 ASN HA 1 57 TYR H . . 4.230 4.303 4.234 4.322 0.092 16 0 "[ . 1 . 2]" 1
492 1 55 ASN HA 1 58 TYR H . . 4.240 3.564 3.310 3.955 . 0 0 "[ . 1 . 2]" 1
493 1 55 ASN HA 1 58 TYR HB3 . . 3.870 3.769 3.388 4.260 0.390 19 0 "[ . 1 . 2]" 1
494 1 55 ASN HA 1 58 TYR QD . . 3.810 3.854 3.631 3.912 0.102 18 0 "[ . 1 . 2]" 1
495 1 55 ASN HB2 1 55 ASN HD22 . . 4.210 3.645 3.518 4.075 . 0 0 "[ . 1 . 2]" 1
496 1 55 ASN HB2 1 56 ASP H . . 3.800 2.953 2.519 3.986 0.186 19 0 "[ . 1 . 2]" 1
497 1 55 ASN HB3 1 55 ASN HD21 . . 3.670 3.498 2.734 3.673 0.003 6 0 "[ . 1 . 2]" 1
498 1 55 ASN HB3 1 55 ASN HD22 . . 4.150 4.095 3.794 4.165 0.015 12 0 "[ . 1 . 2]" 1
499 1 55 ASN HB3 1 56 ASP H . . 3.880 3.406 2.934 3.953 0.073 15 0 "[ . 1 . 2]" 1
500 1 56 ASP H 1 56 ASP HB2 . . 3.900 2.321 2.103 2.866 . 0 0 "[ . 1 . 2]" 1
501 1 56 ASP H 1 56 ASP HB3 . . 3.560 2.919 2.340 3.474 . 0 0 "[ . 1 . 2]" 1
502 1 56 ASP H 1 57 TYR H . . 3.550 2.461 2.011 2.812 . 0 0 "[ . 1 . 2]" 1
503 1 56 ASP H 1 58 TYR H . . 4.690 3.825 3.447 4.040 . 0 0 "[ . 1 . 2]" 1
504 1 56 ASP HA 1 56 ASP HB2 . . 2.970 2.736 2.439 3.018 0.048 9 0 "[ . 1 . 2]" 1
505 1 56 ASP HA 1 57 TYR H . . 3.930 3.489 3.388 3.584 . 0 0 "[ . 1 . 2]" 1
506 1 56 ASP HA 1 59 ASN H . . 5.320 5.370 5.156 5.409 0.089 3 0 "[ . 1 . 2]" 1
507 1 56 ASP HB2 1 57 TYR H . . 4.300 3.600 2.934 4.207 . 0 0 "[ . 1 . 2]" 1
508 1 56 ASP HB2 1 57 TYR QD . . 4.250 4.134 2.407 4.355 0.105 16 0 "[ . 1 . 2]" 1
509 1 56 ASP HB3 1 57 TYR H . . 3.930 3.003 2.496 3.520 . 0 0 "[ . 1 . 2]" 1
510 1 56 ASP HB3 1 57 TYR QD . . 3.840 2.672 2.092 3.121 . 0 0 "[ . 1 . 2]" 1
511 1 57 TYR H 1 57 TYR QB . . 3.650 2.322 2.134 2.565 . 0 0 "[ . 1 . 2]" 1
512 1 57 TYR H 1 57 TYR QD . . 3.920 3.004 2.336 3.416 . 0 0 "[ . 1 . 2]" 1
513 1 57 TYR H 1 57 TYR QE . . 5.500 5.259 4.606 5.603 0.103 9 0 "[ . 1 . 2]" 1
514 1 57 TYR H 1 58 TYR H . . 3.450 2.462 2.308 2.649 . 0 0 "[ . 1 . 2]" 1
515 1 57 TYR H 1 58 TYR HA . . 5.090 4.484 4.248 4.697 . 0 0 "[ . 1 . 2]" 1
516 1 57 TYR HA 1 57 TYR QD . . 3.490 2.710 2.233 3.334 . 0 0 "[ . 1 . 2]" 1
517 1 57 TYR HA 1 58 TYR H . . 4.070 3.232 3.156 3.345 . 0 0 "[ . 1 . 2]" 1
518 1 57 TYR HA 1 59 ASN H . . 4.360 3.712 3.419 4.165 . 0 0 "[ . 1 . 2]" 1
519 1 57 TYR HA 1 60 GLN H . . 4.420 3.491 3.234 3.952 . 0 0 "[ . 1 . 2]" 1
520 1 57 TYR HA 1 60 GLN HE21 . . 5.080 2.921 2.327 3.491 . 0 0 "[ . 1 . 2]" 1
521 1 57 TYR QB 1 58 TYR H . . 4.650 3.627 3.465 3.728 . 0 0 "[ . 1 . 2]" 1
522 1 57 TYR QB 1 58 TYR HA . . 4.500 4.183 4.078 4.271 . 0 0 "[ . 1 . 2]" 1
523 1 57 TYR QB 1 60 GLN H . . 4.610 3.821 3.408 3.997 . 0 0 "[ . 1 . 2]" 1
524 1 57 TYR QB 1 60 GLN HE21 . . 5.050 4.225 2.354 4.860 . 0 0 "[ . 1 . 2]" 1
525 1 57 TYR QB 1 60 GLN HE22 . . 5.500 4.482 3.405 5.177 . 0 0 "[ . 1 . 2]" 1
526 1 57 TYR QB 1 61 MET ME . . 4.410 2.429 1.960 3.161 . 0 0 "[ . 1 . 2]" 1
527 1 57 TYR QD 1 58 TYR H . . 5.010 4.709 4.514 4.963 . 0 0 "[ . 1 . 2]" 1
528 1 57 TYR QD 1 60 GLN HB2 . . 4.140 3.505 2.664 4.073 . 0 0 "[ . 1 . 2]" 1
529 1 57 TYR QD 1 60 GLN HE21 . . 4.730 4.433 2.743 4.816 0.086 15 0 "[ . 1 . 2]" 1
530 1 57 TYR QD 1 60 GLN HE22 . . 5.060 4.003 3.346 4.630 . 0 0 "[ . 1 . 2]" 1
531 1 57 TYR QD 1 61 MET ME . . 4.680 3.448 2.358 4.771 0.091 7 0 "[ . 1 . 2]" 1
532 1 57 TYR QD 1 110 ASP HB2 . . 5.500 4.301 3.706 5.362 . 0 0 "[ . 1 . 2]" 1
533 1 57 TYR QD 1 110 ASP HB3 . . 5.500 5.574 5.170 5.616 0.116 16 0 "[ . 1 . 2]" 1
534 1 58 TYR H 1 58 TYR HB2 . . 3.670 2.478 2.396 2.557 . 0 0 "[ . 1 . 2]" 1
535 1 58 TYR H 1 58 TYR HB3 . . 3.590 2.519 2.346 2.623 . 0 0 "[ . 1 . 2]" 1
536 1 58 TYR H 1 58 TYR QD . . 4.460 4.175 4.109 4.259 . 0 0 "[ . 1 . 2]" 1
537 1 58 TYR H 1 59 ASN H . . 4.000 2.881 2.718 3.055 . 0 0 "[ . 1 . 2]" 1
538 1 58 TYR HA 1 58 TYR QD . . 3.580 2.834 2.461 3.261 . 0 0 "[ . 1 . 2]" 1
539 1 58 TYR HA 1 58 TYR QE . . 5.040 4.674 4.417 4.953 . 0 0 "[ . 1 . 2]" 1
540 1 58 TYR HA 1 59 ASN H . . 4.690 3.555 3.494 3.594 . 0 0 "[ . 1 . 2]" 1
541 1 58 TYR HA 1 60 GLN H . . 4.770 3.916 3.640 4.267 . 0 0 "[ . 1 . 2]" 1
542 1 58 TYR HA 1 61 MET ME . . 4.430 4.358 3.401 4.540 0.110 1 0 "[ . 1 . 2]" 1
543 1 58 TYR HA 1 61 MET HG3 . . 4.160 2.927 2.416 4.413 0.253 17 0 "[ . 1 . 2]" 1
544 1 58 TYR HB2 1 59 ASN H . . 3.860 3.988 3.816 4.233 0.373 7 0 "[ . 1 . 2]" 1
545 1 58 TYR HB3 1 59 ASN H . . 4.310 2.730 2.454 3.090 . 0 0 "[ . 1 . 2]" 1
546 1 58 TYR QD 1 59 ASN H . . 4.510 3.522 2.875 3.905 . 0 0 "[ . 1 . 2]" 1
547 1 58 TYR QD 1 59 ASN HA . . 3.760 3.495 2.683 3.840 0.080 3 0 "[ . 1 . 2]" 1
548 1 59 ASN H 1 59 ASN HB2 . . 3.430 2.307 2.131 2.523 . 0 0 "[ . 1 . 2]" 1
549 1 59 ASN H 1 59 ASN HB3 . . 3.370 2.931 2.394 3.460 0.090 14 0 "[ . 1 . 2]" 1
550 1 59 ASN H 1 60 GLN H . . 3.470 2.830 2.664 2.984 . 0 0 "[ . 1 . 2]" 1
551 1 59 ASN H 1 61 MET H . . 4.540 4.119 3.869 4.455 . 0 0 "[ . 1 . 2]" 1
552 1 59 ASN HA 1 59 ASN HB2 . . 2.950 2.695 2.412 3.032 0.082 14 0 "[ . 1 . 2]" 1
553 1 59 ASN HA 1 60 GLN H . . 4.060 3.494 3.232 3.615 . 0 0 "[ . 1 . 2]" 1
554 1 59 ASN HA 1 61 MET H . . 4.500 4.107 3.548 4.565 0.065 14 0 "[ . 1 . 2]" 1
555 1 59 ASN HB2 1 60 GLN HE22 . . 5.060 4.790 3.834 5.140 0.080 14 0 "[ . 1 . 2]" 1
556 1 59 ASN HB3 1 60 GLN H . . 4.190 3.361 2.732 3.900 . 0 0 "[ . 1 . 2]" 1
557 1 59 ASN HB3 1 60 GLN HE21 . . 4.700 3.003 2.028 4.775 0.075 19 0 "[ . 1 . 2]" 1
558 1 60 GLN H 1 60 GLN HB2 . . 3.510 2.412 2.182 2.544 . 0 0 "[ . 1 . 2]" 1
559 1 60 GLN H 1 60 GLN HB3 . . 3.560 3.603 3.479 3.641 0.081 11 0 "[ . 1 . 2]" 1
560 1 60 GLN H 1 60 GLN HE21 . . 4.060 2.720 2.070 4.117 0.057 14 0 "[ . 1 . 2]" 1
561 1 60 GLN H 1 60 GLN HE22 . . 5.500 4.141 3.670 5.365 . 0 0 "[ . 1 . 2]" 1
562 1 60 GLN H 1 60 GLN HG3 . . 3.960 3.265 1.998 3.741 . 0 0 "[ . 1 . 2]" 1
563 1 60 GLN H 1 61 MET H . . 3.090 2.169 1.765 2.387 . 0 0 "[ . 1 . 2]" 1
564 1 60 GLN HA 1 60 GLN HB3 . . 3.010 2.508 2.295 2.644 . 0 0 "[ . 1 . 2]" 1
565 1 60 GLN HA 1 60 GLN HE21 . . 4.840 4.061 3.759 4.852 0.012 14 0 "[ . 1 . 2]" 1
566 1 60 GLN HA 1 60 GLN HE22 . . 5.320 5.391 5.296 5.424 0.104 16 0 "[ . 1 . 2]" 1
567 1 60 GLN HA 1 60 GLN HG2 . . 3.150 2.991 2.183 3.240 0.090 19 0 "[ . 1 . 2]" 1
568 1 60 GLN HA 1 60 GLN HG3 . . 3.320 2.359 2.065 3.215 . 0 0 "[ . 1 . 2]" 1
569 1 60 GLN HA 1 61 MET H . . 4.180 3.371 2.982 3.536 . 0 0 "[ . 1 . 2]" 1
570 1 60 GLN HB2 1 60 GLN HE22 . . 5.500 3.622 3.371 4.729 . 0 0 "[ . 1 . 2]" 1
571 1 60 GLN HB3 1 60 GLN HG2 . . 2.900 2.260 2.212 2.639 . 0 0 "[ . 1 . 2]" 1
572 1 60 GLN HB3 1 61 MET H . . 4.390 4.130 3.766 4.461 0.071 15 0 "[ . 1 . 2]" 1
573 1 60 GLN HG3 1 61 MET H . . 4.810 4.780 3.702 4.889 0.079 8 0 "[ . 1 . 2]" 1
574 1 61 MET H 1 61 MET QB . . 3.840 2.255 1.929 2.966 . 0 0 "[ . 1 . 2]" 1
575 1 61 MET H 1 61 MET HG2 . . 4.360 3.042 2.293 4.384 0.024 15 0 "[ . 1 . 2]" 1
576 1 61 MET H 1 61 MET HG3 . . 4.070 3.758 3.057 4.358 0.288 18 0 "[ . 1 . 2]" 1
577 1 61 MET H 1 62 PRO HD2 . . 4.850 4.844 4.678 5.087 0.237 6 0 "[ . 1 . 2]" 1
578 1 61 MET HA 1 61 MET ME . . 4.920 3.750 2.257 4.414 . 0 0 "[ . 1 . 2]" 1
579 1 61 MET HA 1 61 MET HG3 . . 3.680 3.479 2.599 3.739 0.059 1 0 "[ . 1 . 2]" 1
580 1 61 MET HA 1 62 PRO HD3 . . 3.850 2.521 2.188 2.986 . 0 0 "[ . 1 . 2]" 1
581 1 61 MET ME 1 61 MET HG2 . . 3.030 2.486 2.176 3.286 0.256 18 0 "[ . 1 . 2]" 1
582 1 61 MET ME 1 61 MET HG3 . . 3.420 2.510 2.081 3.400 . 0 0 "[ . 1 . 2]" 1
583 1 61 MET ME 1 62 PRO HD2 . . 3.960 4.043 3.528 4.540 0.580 12 1 "[ . 1 + . 2]" 1
584 1 61 MET ME 1 62 PRO QG . . 5.500 4.949 4.067 5.149 . 0 0 "[ . 1 . 2]" 1
585 1 61 MET ME 1 113 VAL QG . . 4.650 2.325 2.023 2.801 . 0 0 "[ . 1 . 2]" 1
586 1 61 MET HG2 1 62 PRO HD2 . . 4.280 3.900 2.505 4.411 0.131 1 0 "[ . 1 . 2]" 1
587 1 61 MET HG3 1 62 PRO HD2 . . 4.370 3.802 2.162 4.424 0.054 13 0 "[ . 1 . 2]" 1
588 1 62 PRO HA 1 63 ASN H . . 3.430 2.292 2.165 2.531 . 0 0 "[ . 1 . 2]" 1
589 1 62 PRO HA 1 63 ASN HA . . 5.500 4.489 4.372 4.598 . 0 0 "[ . 1 . 2]" 1
590 1 62 PRO HA 1 64 ARG H . . 3.940 3.562 2.938 4.010 0.070 18 0 "[ . 1 . 2]" 1
591 1 62 PRO HB2 1 63 ASN H . . 4.220 3.599 2.616 4.153 . 0 0 "[ . 1 . 2]" 1
592 1 62 PRO HB2 1 64 ARG H . . 5.500 3.197 1.935 4.129 . 0 0 "[ . 1 . 2]" 1
593 1 62 PRO HB2 1 93 TYR QE . . 4.130 3.714 3.118 4.537 0.407 10 0 "[ . 1 . 2]" 1
594 1 62 PRO HB3 1 63 ASN H . . 4.190 4.023 3.518 4.304 0.114 17 0 "[ . 1 . 2]" 1
595 1 62 PRO HB3 1 64 ARG H . . 4.720 4.172 3.526 5.086 0.366 10 0 "[ . 1 . 2]" 1
596 1 62 PRO QG 1 93 TYR QE . . 4.390 3.325 2.739 4.300 . 0 0 "[ . 1 . 2]" 1
597 1 63 ASN H 1 63 ASN HD21 . . 4.730 4.487 4.203 4.748 0.018 2 0 "[ . 1 . 2]" 1
598 1 63 ASN H 1 63 ASN HD22 . . 5.500 5.464 4.303 5.605 0.105 16 0 "[ . 1 . 2]" 1
599 1 63 ASN H 1 64 ARG H . . 3.080 2.313 1.613 2.737 . 0 0 "[ . 1 . 2]" 1
600 1 63 ASN H 1 64 ARG QG . . 4.580 3.874 2.927 4.520 . 0 0 "[ . 1 . 2]" 1
601 1 63 ASN H 1 121 MET ME . . 5.090 5.016 4.472 5.196 0.106 15 0 "[ . 1 . 2]" 1
602 1 63 ASN HA 1 63 ASN HD21 . . 4.330 3.017 2.029 4.399 0.069 16 0 "[ . 1 . 2]" 1
603 1 63 ASN HA 1 63 ASN HD22 . . 4.850 3.968 3.265 4.941 0.091 1 0 "[ . 1 . 2]" 1
604 1 63 ASN HA 1 64 ARG H . . 3.520 3.506 3.278 3.598 0.078 18 0 "[ . 1 . 2]" 1
605 1 63 ASN HB3 1 64 ARG H . . 5.200 3.090 2.485 4.454 . 0 0 "[ . 1 . 2]" 1
606 1 64 ARG H 1 64 ARG HB2 . . 3.810 3.819 3.579 3.904 0.094 18 0 "[ . 1 . 2]" 1
607 1 64 ARG H 1 64 ARG QD . . 5.500 3.991 3.116 4.250 . 0 0 "[ . 1 . 2]" 1
608 1 64 ARG H 1 64 ARG HE . . 2.960 2.933 2.605 3.058 0.098 10 0 "[ . 1 . 2]" 1
609 1 64 ARG H 1 64 ARG QG . . 3.950 2.391 1.736 2.791 . 0 0 "[ . 1 . 2]" 1
610 1 64 ARG H 1 121 MET ME . . 4.800 3.985 3.037 4.510 . 0 0 "[ . 1 . 2]" 1
611 1 64 ARG HA 1 64 ARG HE . . 4.620 4.680 4.320 4.714 0.094 7 0 "[ . 1 . 2]" 1
612 1 64 ARG HA 1 65 VAL H . . 3.440 2.678 2.435 2.840 . 0 0 "[ . 1 . 2]" 1
613 1 64 ARG HA 1 121 MET ME . . 4.180 3.918 3.217 4.283 0.103 3 0 "[ . 1 . 2]" 1
614 1 64 ARG HB2 1 65 VAL H . . 4.430 2.294 2.014 2.541 . 0 0 "[ . 1 . 2]" 1
615 1 64 ARG HB3 1 64 ARG QD . . 3.460 2.501 2.079 3.400 . 0 0 "[ . 1 . 2]" 1
616 1 64 ARG HB3 1 64 ARG HE . . 4.320 3.164 2.307 4.805 0.485 1 0 "[ . 1 . 2]" 1
617 1 64 ARG QG 1 65 VAL H . . 4.490 3.105 2.387 4.085 . 0 0 "[ . 1 . 2]" 1
618 1 65 VAL H 1 65 VAL QG . . 3.970 2.341 2.112 2.814 . 0 0 "[ . 1 . 2]" 1
619 1 65 VAL HA 1 66 TYR H . . 3.730 2.456 2.049 3.368 . 0 0 "[ . 1 . 2]" 1
620 1 65 VAL HA 1 121 MET ME . . 3.330 2.745 1.923 3.412 0.082 17 0 "[ . 1 . 2]" 1
621 1 65 VAL HB 1 66 TYR H . . 4.060 3.709 2.486 4.149 0.089 12 0 "[ . 1 . 2]" 1
622 1 65 VAL QG 1 66 TYR H . . 4.720 2.596 1.911 3.506 . 0 0 "[ . 1 . 2]" 1
623 1 65 VAL QG 1 66 TYR HA . . 4.480 4.024 3.735 4.415 . 0 0 "[ . 1 . 2]" 1
624 1 65 VAL QG 1 93 TYR QE . . 5.500 4.857 4.433 5.262 . 0 0 "[ . 1 . 2]" 1
625 1 65 VAL QG 1 121 MET H . . 5.040 4.370 3.974 4.736 . 0 0 "[ . 1 . 2]" 1
626 1 65 VAL QG 1 121 MET HA . . 4.420 3.388 2.874 3.960 . 0 0 "[ . 1 . 2]" 1
627 1 65 VAL QG 1 121 MET HB2 . . 3.670 2.842 2.192 3.282 . 0 0 "[ . 1 . 2]" 1
628 1 65 VAL QG 1 121 MET HB3 . . 3.550 2.121 1.870 2.664 . 0 0 "[ . 1 . 2]" 1
629 1 65 VAL QG 1 121 MET ME . . 2.890 2.323 1.946 2.847 . 0 0 "[ . 1 . 2]" 1
630 1 65 VAL QG 1 121 MET QG . . 5.470 3.388 2.099 4.107 . 0 0 "[ . 1 . 2]" 1
631 1 65 VAL QG 1 122 CYS H . . 4.590 3.501 2.943 4.048 . 0 0 "[ . 1 . 2]" 1
632 1 65 VAL QG 1 122 CYS HA . . 3.460 2.753 2.237 3.037 . 0 0 "[ . 1 . 2]" 1
633 1 65 VAL QG 1 125 GLU H . . 5.310 3.605 3.103 4.056 . 0 0 "[ . 1 . 2]" 1
634 1 65 VAL QG 1 125 GLU HA . . 4.430 4.067 3.553 4.434 0.004 8 0 "[ . 1 . 2]" 1
635 1 65 VAL QG 1 125 GLU HB2 . . 3.450 2.709 2.165 3.486 0.036 10 0 "[ . 1 . 2]" 1
636 1 66 TYR H 1 66 TYR HB2 . . 3.560 2.579 2.307 3.624 0.064 18 0 "[ . 1 . 2]" 1
637 1 66 TYR H 1 66 TYR QD . . 4.460 3.317 2.259 3.818 . 0 0 "[ . 1 . 2]" 1
638 1 66 TYR H 1 66 TYR QE . . 5.500 4.987 4.380 5.545 0.045 17 0 "[ . 1 . 2]" 1
639 1 66 TYR H 1 89 SER HG . . 4.280 3.733 2.560 4.354 0.074 7 0 "[ . 1 . 2]" 1
640 1 66 TYR HA 1 66 TYR QD . . 4.010 2.324 1.984 3.153 . 0 0 "[ . 1 . 2]" 1
641 1 66 TYR HA 1 66 TYR QE . . 5.000 4.430 4.178 4.679 . 0 0 "[ . 1 . 2]" 1
642 1 66 TYR HA 1 67 ARG H . . 3.440 2.449 2.162 2.725 . 0 0 "[ . 1 . 2]" 1
643 1 66 TYR HB2 1 88 MET ME . . 5.500 4.391 3.541 5.259 . 0 0 "[ . 1 . 2]" 1
644 1 66 TYR HB2 1 89 SER HA . . 4.340 4.126 3.344 4.422 0.082 8 0 "[ . 1 . 2]" 1
645 1 66 TYR QD 1 88 MET ME . . 3.440 3.344 2.848 3.565 0.125 10 0 "[ . 1 . 2]" 1
646 1 66 TYR QD 1 89 SER HA . . 3.890 2.877 2.269 3.524 . 0 0 "[ . 1 . 2]" 1
647 1 66 TYR QE 1 88 MET ME . . 3.890 3.894 3.497 4.023 0.133 2 0 "[ . 1 . 2]" 1
648 1 66 TYR QE 1 89 SER HA . . 4.070 3.931 3.127 4.168 0.098 14 0 "[ . 1 . 2]" 1
649 1 66 TYR QE 1 92 GLU HB2 . . 3.830 3.107 2.714 3.691 . 0 0 "[ . 1 . 2]" 1
650 1 66 TYR QE 1 92 GLU HB3 . . 4.120 2.406 2.072 3.416 . 0 0 "[ . 1 . 2]" 1
651 1 66 TYR QE 1 92 GLU HG3 . . 4.540 2.460 2.128 3.006 . 0 0 "[ . 1 . 2]" 1
652 1 66 TYR QE 1 93 TYR QE . . 4.240 3.299 2.554 4.267 0.027 10 0 "[ . 1 . 2]" 1
653 1 67 ARG H 1 67 ARG HD2 . . 5.500 5.079 3.489 6.146 0.646 18 2 "[ . 1 . + -]" 1
654 1 67 ARG H 1 67 ARG HE . . 5.500 5.198 4.193 5.577 0.077 6 0 "[ . 1 . 2]" 1
655 1 67 ARG H 1 67 ARG HG3 . . 5.440 4.405 2.562 5.117 . 0 0 "[ . 1 . 2]" 1
656 1 67 ARG HA 1 67 ARG HD2 . . 3.670 3.642 2.206 4.580 0.910 20 4 "[ -. * 1 * +]" 1
657 1 67 ARG HA 1 67 ARG HD3 . . 5.470 3.869 2.473 4.582 . 0 0 "[ . 1 . 2]" 1
658 1 67 ARG HA 1 67 ARG HE . . 5.500 4.586 2.935 5.351 . 0 0 "[ . 1 . 2]" 1
659 1 67 ARG HA 1 67 ARG HG2 . . 3.230 2.915 2.062 3.821 0.591 5 4 "[ +* 1 . -*2]" 1
660 1 67 ARG HA 1 68 PRO HD2 . . 3.660 2.178 2.009 2.693 . 0 0 "[ . 1 . 2]" 1
661 1 67 ARG HA 1 68 PRO HD3 . . 3.680 2.659 2.066 3.118 . 0 0 "[ . 1 . 2]" 1
662 1 67 ARG QB 1 67 ARG HD2 . . 3.130 2.816 2.303 3.532 0.402 18 0 "[ . 1 . 2]" 1
663 1 68 PRO HA 1 69 MET H . . 3.130 2.293 2.132 2.567 . 0 0 "[ . 1 . 2]" 1
664 1 68 PRO HA 1 70 TYR QE . . 4.900 4.958 4.760 4.995 0.095 17 0 "[ . 1 . 2]" 1
665 1 68 PRO HB2 1 69 MET H . . 4.520 3.636 2.830 4.300 . 0 0 "[ . 1 . 2]" 1
666 1 68 PRO HB2 1 70 TYR QE . . 4.260 2.549 2.213 3.230 . 0 0 "[ . 1 . 2]" 1
667 1 68 PRO HD2 1 85 CYS HA . . 4.450 3.908 3.127 5.402 0.952 2 1 "[ + . 1 . 2]" 1
668 1 68 PRO HD2 1 85 CYS HB2 . . 4.170 3.058 2.395 4.025 . 0 0 "[ . 1 . 2]" 1
669 1 68 PRO HD3 1 85 CYS HB2 . . 3.960 3.078 2.178 3.997 0.037 12 0 "[ . 1 . 2]" 1
670 1 68 PRO HG2 1 70 TYR QE . . 3.690 3.205 2.251 3.770 0.080 19 0 "[ . 1 . 2]" 1
671 1 68 PRO HG3 1 85 CYS H . . 4.900 3.828 2.720 4.980 0.080 10 0 "[ . 1 . 2]" 1
672 1 68 PRO HG3 1 85 CYS HA . . 4.280 2.886 2.037 3.769 . 0 0 "[ . 1 . 2]" 1
673 1 69 MET H 1 69 MET HB2 . . 3.720 3.700 2.832 3.849 0.129 4 0 "[ . 1 . 2]" 1
674 1 69 MET H 1 69 MET HB3 . . 4.160 2.869 2.198 3.349 . 0 0 "[ . 1 . 2]" 1
675 1 69 MET H 1 69 MET ME . . 5.500 3.775 3.042 4.874 . 0 0 "[ . 1 . 2]" 1
676 1 69 MET H 1 69 MET HG2 . . 4.080 2.372 1.974 4.100 0.020 11 0 "[ . 1 . 2]" 1
677 1 69 MET H 1 69 MET HG3 . . 4.310 3.398 2.853 4.384 0.074 11 0 "[ . 1 . 2]" 1
678 1 69 MET H 1 70 TYR H . . 4.540 4.157 2.158 4.598 0.058 14 0 "[ . 1 . 2]" 1
679 1 69 MET HA 1 69 MET ME . . 4.440 4.336 4.167 4.527 0.087 11 0 "[ . 1 . 2]" 1
680 1 69 MET HA 1 69 MET HG2 . . 3.730 3.736 3.498 3.798 0.068 14 0 "[ . 1 . 2]" 1
681 1 69 MET HA 1 69 MET HG3 . . 3.630 3.644 2.550 3.800 0.170 18 0 "[ . 1 . 2]" 1
682 1 69 MET HA 1 70 TYR H . . 2.930 2.308 2.025 3.020 0.090 18 0 "[ . 1 . 2]" 1
683 1 69 MET HB2 1 69 MET ME . . 3.280 3.086 2.372 3.369 0.089 7 0 "[ . 1 . 2]" 1
684 1 69 MET HB2 1 70 TYR H . . 4.420 3.404 2.747 4.335 . 0 0 "[ . 1 . 2]" 1
685 1 69 MET HB3 1 69 MET ME . . 2.840 2.268 2.129 3.043 0.203 4 0 "[ . 1 . 2]" 1
686 1 69 MET HB3 1 70 TYR H . . 4.280 4.253 4.001 4.495 0.215 11 0 "[ . 1 . 2]" 1
687 1 69 MET ME 1 69 MET HG2 . . 3.210 2.515 2.259 3.407 0.197 18 0 "[ . 1 . 2]" 1
688 1 69 MET ME 1 69 MET HG3 . . 3.310 3.281 2.330 3.409 0.099 12 0 "[ . 1 . 2]" 1
689 1 69 MET HG2 1 70 TYR H . . 5.500 4.701 3.041 5.346 . 0 0 "[ . 1 . 2]" 1
690 1 69 MET HG3 1 70 TYR H . . 4.650 4.046 3.273 4.715 0.065 3 0 "[ . 1 . 2]" 1
691 1 69 MET HG3 1 71 ARG H . . 5.500 5.404 4.474 5.960 0.460 18 0 "[ . 1 . 2]" 1
692 1 70 TYR H 1 70 TYR HB2 . . 3.550 2.704 2.422 3.614 0.064 2 0 "[ . 1 . 2]" 1
693 1 70 TYR H 1 70 TYR HB3 . . 3.920 3.723 3.502 3.959 0.039 2 0 "[ . 1 . 2]" 1
694 1 70 TYR H 1 70 TYR QD . . 3.550 3.232 2.256 3.600 0.050 13 0 "[ . 1 . 2]" 1
695 1 70 TYR H 1 70 TYR QE . . 5.150 4.679 4.002 5.141 . 0 0 "[ . 1 . 2]" 1
696 1 70 TYR H 1 71 ARG H . . 4.490 4.485 4.165 4.564 0.074 11 0 "[ . 1 . 2]" 1
697 1 70 TYR HA 1 70 TYR QD . . 3.510 2.354 2.151 2.930 . 0 0 "[ . 1 . 2]" 1
698 1 70 TYR HA 1 70 TYR QE . . 4.750 4.570 4.455 4.813 0.063 17 0 "[ . 1 . 2]" 1
699 1 70 TYR HA 1 71 ARG H . . 2.980 2.268 2.068 2.485 . 0 0 "[ . 1 . 2]" 1
700 1 70 TYR HA 1 72 GLY H . . 4.700 3.735 3.373 4.136 . 0 0 "[ . 1 . 2]" 1
701 1 70 TYR HB2 1 71 ARG H . . 4.080 3.827 3.168 4.135 0.055 14 0 "[ . 1 . 2]" 1
702 1 70 TYR HB3 1 71 ARG H . . 3.780 2.911 2.229 3.501 . 0 0 "[ . 1 . 2]" 1
703 1 70 TYR QD 1 71 ARG H . . 4.230 4.118 3.949 4.317 0.087 15 0 "[ . 1 . 2]" 1
704 1 70 TYR QD 1 76 VAL QG . . 4.000 3.219 2.481 3.639 . 0 0 "[ . 1 . 2]" 1
705 1 70 TYR QE 1 76 VAL QG . . 3.660 2.393 1.987 3.118 . 0 0 "[ . 1 . 2]" 1
706 1 70 TYR QE 1 81 PHE HA . . 3.890 3.665 3.081 3.984 0.094 3 0 "[ . 1 . 2]" 1
707 1 70 TYR QE 1 81 PHE QD . . 3.700 3.073 2.087 3.788 0.088 7 0 "[ . 1 . 2]" 1
708 1 71 ARG H 1 71 ARG HB2 . . 3.350 2.791 2.500 3.423 0.073 14 0 "[ . 1 . 2]" 1
709 1 71 ARG H 1 71 ARG HB3 . . 3.710 3.740 3.621 3.796 0.086 14 0 "[ . 1 . 2]" 1
710 1 71 ARG H 1 71 ARG QD . . 4.520 3.233 2.149 4.176 . 0 0 "[ . 1 . 2]" 1
711 1 71 ARG H 1 71 ARG HE . . 5.220 4.956 3.362 5.301 0.081 6 0 "[ . 1 . 2]" 1
712 1 71 ARG H 1 71 ARG QG . . 3.560 2.586 2.210 2.905 . 0 0 "[ . 1 . 2]" 1
713 1 71 ARG H 1 72 GLY H . . 3.430 2.148 1.828 2.508 . 0 0 "[ . 1 . 2]" 1
714 1 71 ARG H 1 72 GLY QA . . 4.770 4.187 3.722 4.494 . 0 0 "[ . 1 . 2]" 1
715 1 71 ARG HA 1 71 ARG HB2 . . 3.030 2.994 2.826 3.058 0.028 11 0 "[ . 1 . 2]" 1
716 1 71 ARG HA 1 71 ARG HB3 . . 2.620 2.374 2.137 2.573 . 0 0 "[ . 1 . 2]" 1
717 1 71 ARG HA 1 71 ARG QD . . 3.820 2.992 2.160 3.901 0.081 16 0 "[ . 1 . 2]" 1
718 1 71 ARG HA 1 71 ARG HE . . 5.500 4.911 3.199 5.571 0.071 14 0 "[ . 1 . 2]" 1
719 1 71 ARG HA 1 71 ARG QG . . 3.010 2.909 2.256 3.102 0.092 2 0 "[ . 1 . 2]" 1
720 1 71 ARG HA 1 72 GLY H . . 3.120 3.188 3.059 3.221 0.101 2 0 "[ . 1 . 2]" 1
721 1 71 ARG HB2 1 71 ARG QD . . 3.280 2.890 2.110 3.376 0.096 2 0 "[ . 1 . 2]" 1
722 1 71 ARG HB2 1 71 ARG HE . . 4.760 3.926 2.206 4.627 . 0 0 "[ . 1 . 2]" 1
723 1 71 ARG HB2 1 72 GLY H . . 4.420 3.474 2.901 4.005 . 0 0 "[ . 1 . 2]" 1
724 1 71 ARG HB3 1 71 ARG QD . . 3.500 2.731 2.243 3.481 . 0 0 "[ . 1 . 2]" 1
725 1 71 ARG HB3 1 71 ARG HE . . 4.700 4.019 2.993 4.456 . 0 0 "[ . 1 . 2]" 1
726 1 71 ARG HB3 1 72 GLY H . . 4.830 4.246 3.776 4.627 . 0 0 "[ . 1 . 2]" 1
727 1 71 ARG QD 1 72 GLY H . . 4.960 4.387 3.096 5.047 0.087 15 0 "[ . 1 . 2]" 1
728 1 71 ARG QG 1 72 GLY H . . 4.190 4.232 3.992 4.299 0.109 17 0 "[ . 1 . 2]" 1
729 1 72 GLY H 1 73 GLU H . . 3.460 2.725 1.841 3.531 0.071 10 0 "[ . 1 . 2]" 1
730 1 72 GLY QA 1 73 GLU H . . 3.360 2.449 2.124 2.866 . 0 0 "[ . 1 . 2]" 1
731 1 72 GLY QA 1 74 GLU H . . 4.330 3.877 3.313 4.258 . 0 0 "[ . 1 . 2]" 1
732 1 73 GLU H 1 73 GLU HB2 . . 3.720 3.050 1.959 3.536 . 0 0 "[ . 1 . 2]" 1
733 1 73 GLU H 1 73 GLU HB3 . . 3.390 2.891 2.039 3.489 0.099 18 0 "[ . 1 . 2]" 1
734 1 73 GLU H 1 73 GLU HG2 . . 4.780 4.474 2.052 4.859 0.079 3 0 "[ . 1 . 2]" 1
735 1 73 GLU H 1 73 GLU HG3 . . 4.550 4.407 3.498 4.759 0.209 1 0 "[ . 1 . 2]" 1
736 1 73 GLU H 1 74 GLU H . . 3.220 2.843 1.686 3.294 0.074 18 0 "[ . 1 . 2]" 1
737 1 73 GLU HA 1 73 GLU HB2 . . 2.940 2.449 2.143 2.758 . 0 0 "[ . 1 . 2]" 1
738 1 73 GLU HA 1 73 GLU HB3 . . 3.000 2.977 2.299 3.042 0.042 15 0 "[ . 1 . 2]" 1
739 1 73 GLU HA 1 73 GLU HG3 . . 3.050 2.665 2.129 4.014 0.964 14 3 "[- . 1 +.* 2]" 1
740 1 73 GLU HA 1 74 GLU H . . 3.610 3.024 2.184 3.581 . 0 0 "[ . 1 . 2]" 1
741 1 73 GLU HB2 1 73 GLU HG2 . . 2.960 2.901 2.536 3.037 0.077 18 0 "[ . 1 . 2]" 1
742 1 73 GLU HB2 1 73 GLU HG3 . . 2.980 2.614 2.239 3.048 0.068 8 0 "[ . 1 . 2]" 1
743 1 73 GLU HB2 1 74 GLU H . . 4.720 4.165 3.604 4.736 0.016 6 0 "[ . 1 . 2]" 1
744 1 73 GLU HB3 1 73 GLU HG2 . . 2.550 2.452 2.176 3.026 0.476 16 0 "[ . 1 . 2]" 1
745 1 73 GLU HB3 1 73 GLU HG3 . . 2.970 2.917 2.611 3.035 0.065 11 0 "[ . 1 . 2]" 1
746 1 73 GLU HG2 1 74 GLU HA . . 5.400 4.857 3.709 5.484 0.084 19 0 "[ . 1 . 2]" 1
747 1 73 GLU HG2 1 76 VAL HA . . 4.590 4.389 2.767 4.678 0.088 6 0 "[ . 1 . 2]" 1
748 1 73 GLU HG2 1 76 VAL QG . . 4.260 2.382 1.965 3.723 . 0 0 "[ . 1 . 2]" 1
749 1 73 GLU HG3 1 75 TYR H . . 4.180 3.558 2.258 4.287 0.107 16 0 "[ . 1 . 2]" 1
750 1 74 GLU H 1 74 GLU QB . . 3.270 2.895 2.200 3.384 0.114 2 0 "[ . 1 . 2]" 1
751 1 74 GLU H 1 74 GLU HG2 . . 3.820 3.149 2.299 3.878 0.058 6 0 "[ . 1 . 2]" 1
752 1 74 GLU H 1 74 GLU HG3 . . 3.750 2.996 2.261 3.744 . 0 0 "[ . 1 . 2]" 1
753 1 74 GLU H 1 75 TYR H . . 3.500 2.870 2.195 3.311 . 0 0 "[ . 1 . 2]" 1
754 1 74 GLU HA 1 74 GLU QB . . 2.640 2.354 2.023 2.472 . 0 0 "[ . 1 . 2]" 1
755 1 74 GLU HA 1 74 GLU HG2 . . 3.310 2.573 2.195 3.631 0.321 2 0 "[ . 1 . 2]" 1
756 1 74 GLU HA 1 74 GLU HG3 . . 3.540 3.267 2.760 3.628 0.088 19 0 "[ . 1 . 2]" 1
757 1 74 GLU HA 1 75 TYR H . . 3.240 3.041 2.194 3.338 0.098 14 0 "[ . 1 . 2]" 1
758 1 74 GLU QB 1 74 GLU HG3 . . 2.560 2.308 2.151 2.478 . 0 0 "[ . 1 . 2]" 1
759 1 74 GLU QB 1 75 TYR H . . 3.900 3.406 2.188 3.945 0.045 10 0 "[ . 1 . 2]" 1
760 1 74 GLU QB 1 75 TYR QD . . 4.260 3.558 2.642 4.366 0.106 20 0 "[ . 1 . 2]" 1
761 1 75 TYR H 1 75 TYR HB2 . . 3.270 2.795 2.036 3.361 0.091 8 0 "[ . 1 . 2]" 1
762 1 75 TYR H 1 75 TYR HB3 . . 4.150 3.765 3.082 4.063 . 0 0 "[ . 1 . 2]" 1
763 1 75 TYR H 1 75 TYR QD . . 4.260 3.217 2.432 3.644 . 0 0 "[ . 1 . 2]" 1
764 1 75 TYR H 1 75 TYR QE . . 5.500 4.858 4.053 5.594 0.094 3 0 "[ . 1 . 2]" 1
765 1 75 TYR H 1 76 VAL H . . 4.040 3.384 2.428 4.121 0.081 3 0 "[ . 1 . 2]" 1
766 1 75 TYR HA 1 75 TYR HB3 . . 2.900 2.498 2.363 2.931 0.031 3 0 "[ . 1 . 2]" 1
767 1 75 TYR HA 1 75 TYR QD . . 2.650 2.532 2.260 2.745 0.095 13 0 "[ . 1 . 2]" 1
768 1 75 TYR HA 1 76 VAL H . . 2.750 2.480 2.087 2.845 0.095 13 0 "[ . 1 . 2]" 1
769 1 75 TYR HB2 1 76 VAL H . . 4.640 4.284 2.445 4.615 . 0 0 "[ . 1 . 2]" 1
770 1 75 TYR HB3 1 76 VAL H . . 4.330 4.025 1.984 4.418 0.088 6 0 "[ . 1 . 2]" 1
771 1 75 TYR QD 1 76 VAL H . . 4.920 4.490 2.900 4.943 0.023 6 0 "[ . 1 . 2]" 1
772 1 76 VAL H 1 76 VAL HB . . 3.460 2.780 1.983 3.553 0.093 13 0 "[ . 1 . 2]" 1
773 1 76 VAL H 1 76 VAL QG . . 3.800 2.681 1.874 3.195 . 0 0 "[ . 1 . 2]" 1
774 1 76 VAL H 1 77 SER H . . 4.410 4.416 4.154 4.494 0.084 8 0 "[ . 1 . 2]" 1
775 1 76 VAL HA 1 76 VAL QG . . 3.190 2.174 2.038 2.506 . 0 0 "[ . 1 . 2]" 1
776 1 76 VAL HA 1 77 SER H . . 2.810 2.390 2.107 2.876 0.066 13 0 "[ . 1 . 2]" 1
777 1 76 VAL HA 1 80 ARG HD2 . . 3.530 3.305 2.275 4.461 0.931 18 4 "[ . 1 - .**+ 2]" 1
778 1 76 VAL HB 1 77 SER H . . 4.050 3.660 1.894 4.129 0.079 1 0 "[ . 1 . 2]" 1
779 1 76 VAL QG 1 77 SER H . . 4.120 2.391 1.761 3.615 . 0 0 "[ . 1 . 2]" 1
780 1 76 VAL QG 1 77 SER HA . . 4.280 3.755 3.413 4.255 . 0 0 "[ . 1 . 2]" 1
781 1 76 VAL QG 1 80 ARG H . . 4.850 3.729 3.326 4.578 . 0 0 "[ . 1 . 2]" 1
782 1 76 VAL QG 1 80 ARG HB3 . . 3.670 2.345 1.937 2.864 . 0 0 "[ . 1 . 2]" 1
783 1 76 VAL QG 1 80 ARG HD2 . . 3.770 3.212 2.378 3.963 0.193 18 0 "[ . 1 . 2]" 1
784 1 76 VAL QG 1 80 ARG HD3 . . 4.280 2.988 2.174 3.791 . 0 0 "[ . 1 . 2]" 1
785 1 76 VAL QG 1 80 ARG QG . . 4.320 3.369 2.705 3.828 . 0 0 "[ . 1 . 2]" 1
786 1 76 VAL QG 1 81 PHE H . . 4.310 2.468 2.191 3.204 . 0 0 "[ . 1 . 2]" 1
787 1 76 VAL QG 1 81 PHE HA . . 4.000 2.782 2.228 3.242 . 0 0 "[ . 1 . 2]" 1
788 1 76 VAL QG 1 81 PHE HB3 . . 3.540 3.213 2.743 3.581 0.041 9 0 "[ . 1 . 2]" 1
789 1 76 VAL QG 1 81 PHE QD . . 4.080 3.484 2.772 3.979 . 0 0 "[ . 1 . 2]" 1
790 1 77 SER H 1 77 SER HB2 . . 3.570 3.016 2.374 3.786 0.216 11 0 "[ . 1 . 2]" 1
791 1 77 SER H 1 77 SER HB3 . . 3.710 3.512 2.785 3.798 0.088 6 0 "[ . 1 . 2]" 1
792 1 77 SER H 1 78 GLU H . . 4.290 4.337 4.216 4.389 0.099 8 0 "[ . 1 . 2]" 1
793 1 77 SER H 1 80 ARG H . . 4.550 3.328 2.797 4.385 . 0 0 "[ . 1 . 2]" 1
794 1 77 SER H 1 80 ARG HD2 . . 4.880 3.557 2.594 4.683 . 0 0 "[ . 1 . 2]" 1
795 1 77 SER HA 1 77 SER HB3 . . 2.400 2.403 2.284 2.556 0.156 7 0 "[ . 1 . 2]" 1
796 1 77 SER HA 1 78 GLU H . . 3.000 2.474 2.180 2.682 . 0 0 "[ . 1 . 2]" 1
797 1 77 SER HB2 1 78 GLU H . . 3.940 3.069 2.087 3.835 . 0 0 "[ . 1 . 2]" 1
798 1 77 SER HB2 1 79 ASP H . . 4.230 3.059 2.300 4.121 . 0 0 "[ . 1 . 2]" 1
799 1 77 SER HB2 1 80 ARG H . . 4.920 3.222 2.075 4.708 . 0 0 "[ . 1 . 2]" 1
800 1 77 SER HB3 1 79 ASP H . . 3.590 3.683 2.702 4.313 0.723 7 5 "[ . + 1 **. - *2]" 1
801 1 77 SER HB3 1 80 ARG H . . 5.190 4.303 3.430 5.000 . 0 0 "[ . 1 . 2]" 1
802 1 78 GLU H 1 78 GLU HB2 . . 3.270 2.880 2.530 3.136 . 0 0 "[ . 1 . 2]" 1
803 1 78 GLU H 1 78 GLU HB3 . . 3.960 3.644 3.544 3.734 . 0 0 "[ . 1 . 2]" 1
804 1 78 GLU H 1 78 GLU QG . . 3.880 2.385 1.897 3.133 . 0 0 "[ . 1 . 2]" 1
805 1 78 GLU H 1 79 ASP H . . 3.610 2.848 2.483 3.199 . 0 0 "[ . 1 . 2]" 1
806 1 78 GLU H 1 126 TYR QE . . 4.890 4.430 3.366 4.970 0.080 19 0 "[ . 1 . 2]" 1
807 1 78 GLU HA 1 78 GLU QG . . 3.540 2.647 2.315 3.035 . 0 0 "[ . 1 . 2]" 1
808 1 78 GLU HA 1 79 ASP H . . 4.170 3.562 3.478 3.619 . 0 0 "[ . 1 . 2]" 1
809 1 78 GLU HA 1 81 PHE H . . 4.310 3.584 3.201 3.950 . 0 0 "[ . 1 . 2]" 1
810 1 78 GLU HA 1 81 PHE QD . . 4.120 3.530 2.717 4.036 . 0 0 "[ . 1 . 2]" 1
811 1 78 GLU HA 1 82 VAL H . . 4.850 3.856 3.463 4.237 . 0 0 "[ . 1 . 2]" 1
812 1 78 GLU HA 1 126 TYR QE . . 4.220 2.609 2.040 3.700 . 0 0 "[ . 1 . 2]" 1
813 1 78 GLU HB2 1 78 GLU QG . . 2.740 2.444 2.180 2.547 . 0 0 "[ . 1 . 2]" 1
814 1 78 GLU HB2 1 79 ASP H . . 3.420 2.680 2.253 3.005 . 0 0 "[ . 1 . 2]" 1
815 1 78 GLU HB2 1 82 VAL QG . . 4.280 4.168 3.740 4.303 0.023 19 0 "[ . 1 . 2]" 1
816 1 78 GLU HB3 1 79 ASP H . . 4.060 3.833 3.221 4.132 0.072 1 0 "[ . 1 . 2]" 1
817 1 78 GLU HB3 1 82 VAL QG . . 4.140 3.447 2.868 4.105 . 0 0 "[ . 1 . 2]" 1
818 1 79 ASP H 1 79 ASP QB . . 2.980 2.230 2.055 2.486 . 0 0 "[ . 1 . 2]" 1
819 1 79 ASP H 1 80 ARG H . . 3.500 2.821 2.573 3.111 . 0 0 "[ . 1 . 2]" 1
820 1 79 ASP H 1 81 PHE H . . 4.720 4.194 3.935 4.540 . 0 0 "[ . 1 . 2]" 1
821 1 79 ASP HA 1 80 ARG H . . 4.220 3.595 3.412 3.677 . 0 0 "[ . 1 . 2]" 1
822 1 79 ASP HA 1 82 VAL H . . 4.450 3.555 3.119 4.187 . 0 0 "[ . 1 . 2]" 1
823 1 79 ASP HA 1 82 VAL HB . . 3.450 2.772 2.300 3.555 0.105 9 0 "[ . 1 . 2]" 1
824 1 79 ASP HA 1 82 VAL QG . . 4.260 3.118 1.829 3.987 . 0 0 "[ . 1 . 2]" 1
825 1 79 ASP QB 1 80 ARG H . . 3.520 2.680 2.303 3.424 . 0 0 "[ . 1 . 2]" 1
826 1 80 ARG H 1 80 ARG HB2 . . 3.290 2.307 1.763 2.689 . 0 0 "[ . 1 . 2]" 1
827 1 80 ARG H 1 80 ARG HD2 . . 5.060 4.111 2.419 5.067 0.007 3 0 "[ . 1 . 2]" 1
828 1 80 ARG H 1 80 ARG HD3 . . 5.150 4.690 3.454 5.209 0.059 20 0 "[ . 1 . 2]" 1
829 1 80 ARG H 1 80 ARG HE . . 5.500 5.389 4.483 5.605 0.105 2 0 "[ . 1 . 2]" 1
830 1 80 ARG H 1 80 ARG QG . . 3.800 3.065 2.444 3.663 . 0 0 "[ . 1 . 2]" 1
831 1 80 ARG H 1 81 PHE H . . 3.520 2.670 2.214 2.926 . 0 0 "[ . 1 . 2]" 1
832 1 80 ARG H 1 82 VAL H . . 4.790 4.177 3.799 4.550 . 0 0 "[ . 1 . 2]" 1
833 1 80 ARG HA 1 80 ARG HD3 . . 3.730 4.032 3.282 4.560 0.830 9 8 "[ * . +1- * .****2]" 1
834 1 80 ARG HA 1 80 ARG HE . . 5.320 4.857 4.086 5.384 0.064 5 0 "[ . 1 . 2]" 1
835 1 80 ARG HA 1 80 ARG QG . . 3.350 2.183 2.006 2.347 . 0 0 "[ . 1 . 2]" 1
836 1 80 ARG HA 1 81 PHE H . . 4.150 3.607 3.522 3.664 . 0 0 "[ . 1 . 2]" 1
837 1 80 ARG HA 1 83 ARG H . . 4.390 3.454 3.200 3.826 . 0 0 "[ . 1 . 2]" 1
838 1 80 ARG HA 1 83 ARG HB2 . . 4.730 4.587 3.457 5.195 0.465 9 0 "[ . 1 . 2]" 1
839 1 80 ARG HA 1 83 ARG QD . . 4.080 2.976 2.405 4.020 . 0 0 "[ . 1 . 2]" 1
840 1 80 ARG HA 1 83 ARG HG2 . . 3.820 2.498 1.950 3.734 . 0 0 "[ . 1 . 2]" 1
841 1 80 ARG HA 1 84 ASP H . . 4.710 3.949 3.656 4.264 . 0 0 "[ . 1 . 2]" 1
842 1 80 ARG HB2 1 80 ARG HD2 . . 3.480 2.636 2.015 3.100 . 0 0 "[ . 1 . 2]" 1
843 1 80 ARG HB2 1 80 ARG HD3 . . 3.680 3.012 2.245 3.685 0.005 3 0 "[ . 1 . 2]" 1
844 1 80 ARG HB2 1 80 ARG HE . . 4.780 4.367 3.824 4.616 . 0 0 "[ . 1 . 2]" 1
845 1 80 ARG HB2 1 81 PHE H . . 3.740 2.888 2.373 3.653 . 0 0 "[ . 1 . 2]" 1
846 1 80 ARG HB3 1 80 ARG HD3 . . 4.160 2.580 2.152 3.452 . 0 0 "[ . 1 . 2]" 1
847 1 80 ARG HB3 1 81 PHE H . . 4.060 3.298 2.264 3.803 . 0 0 "[ . 1 . 2]" 1
848 1 80 ARG HB3 1 81 PHE HA . . 4.430 4.178 3.832 4.425 . 0 0 "[ . 1 . 2]" 1
849 1 81 PHE H 1 81 PHE HB2 . . 3.500 2.742 2.526 3.002 . 0 0 "[ . 1 . 2]" 1
850 1 81 PHE H 1 81 PHE HB3 . . 3.440 2.297 2.069 2.490 . 0 0 "[ . 1 . 2]" 1
851 1 81 PHE H 1 81 PHE QD . . 4.500 4.074 3.766 4.236 . 0 0 "[ . 1 . 2]" 1
852 1 81 PHE H 1 82 VAL H . . 3.550 2.768 2.619 2.975 . 0 0 "[ . 1 . 2]" 1
853 1 81 PHE H 1 82 VAL QG . . 5.140 4.348 3.706 4.720 . 0 0 "[ . 1 . 2]" 1
854 1 81 PHE H 1 83 ARG H . . 4.340 4.367 4.232 4.414 0.074 9 0 "[ . 1 . 2]" 1
855 1 81 PHE H 1 126 TYR QE . . 4.820 4.654 4.016 4.904 0.084 5 0 "[ . 1 . 2]" 1
856 1 81 PHE HA 1 81 PHE QD . . 4.320 2.954 2.596 3.386 . 0 0 "[ . 1 . 2]" 1
857 1 81 PHE HA 1 82 VAL H . . 4.480 3.620 3.573 3.686 . 0 0 "[ . 1 . 2]" 1
858 1 81 PHE HA 1 84 ASP H . . 4.240 3.697 3.496 3.962 . 0 0 "[ . 1 . 2]" 1
859 1 81 PHE HA 1 84 ASP HB2 . . 3.980 3.129 2.552 4.027 0.047 1 0 "[ . 1 . 2]" 1
860 1 81 PHE HB3 1 82 VAL H . . 3.680 2.636 2.319 3.032 . 0 0 "[ . 1 . 2]" 1
861 1 81 PHE HB3 1 82 VAL HA . . 5.130 4.567 4.259 5.028 . 0 0 "[ . 1 . 2]" 1
862 1 81 PHE HB3 1 82 VAL QG . . 3.860 3.604 3.158 3.877 0.017 14 0 "[ . 1 . 2]" 1
863 1 81 PHE QD 1 82 VAL H . . 4.620 2.925 2.551 3.183 . 0 0 "[ . 1 . 2]" 1
864 1 81 PHE QD 1 82 VAL HA . . 4.240 3.283 2.735 3.840 . 0 0 "[ . 1 . 2]" 1
865 1 81 PHE QD 1 82 VAL QG . . 3.850 2.497 2.188 3.594 . 0 0 "[ . 1 . 2]" 1
866 1 81 PHE QE 1 82 VAL HA . . 4.140 4.086 3.508 4.229 0.089 13 0 "[ . 1 . 2]" 1
867 1 81 PHE QE 1 125 GLU HB2 . . 4.190 3.952 2.269 4.639 0.449 11 0 "[ . 1 . 2]" 1
868 1 81 PHE QE 1 125 GLU HB3 . . 4.530 3.602 3.117 4.613 0.083 2 0 "[ . 1 . 2]" 1
869 1 81 PHE HZ 1 125 GLU HB2 . . 4.040 3.651 2.414 4.684 0.644 17 1 "[ . 1 . + 2]" 1
870 1 82 VAL H 1 82 VAL HB . . 3.310 2.371 2.196 2.641 . 0 0 "[ . 1 . 2]" 1
871 1 82 VAL H 1 82 VAL QG . . 3.660 2.318 2.028 2.542 . 0 0 "[ . 1 . 2]" 1
872 1 82 VAL H 1 83 ARG H . . 3.590 2.939 2.669 3.056 . 0 0 "[ . 1 . 2]" 1
873 1 82 VAL HA 1 83 ARG H . . 4.620 3.644 3.446 3.739 . 0 0 "[ . 1 . 2]" 1
874 1 82 VAL HA 1 85 CYS H . . 4.160 3.741 3.374 3.890 . 0 0 "[ . 1 . 2]" 1
875 1 82 VAL HA 1 85 CYS HB2 . . 4.480 4.119 3.812 4.484 0.004 10 0 "[ . 1 . 2]" 1
876 1 82 VAL HA 1 85 CYS HB3 . . 3.840 2.940 2.576 3.323 . 0 0 "[ . 1 . 2]" 1
877 1 82 VAL HA 1 86 TYR H . . 4.340 3.639 3.423 3.846 . 0 0 "[ . 1 . 2]" 1
878 1 82 VAL HB 1 83 ARG H . . 3.540 2.899 2.512 3.642 0.102 10 0 "[ . 1 . 2]" 1
879 1 82 VAL QG 1 83 ARG H . . 4.300 3.001 1.995 3.497 . 0 0 "[ . 1 . 2]" 1
880 1 82 VAL QG 1 83 ARG HA . . 4.010 3.277 2.934 3.637 . 0 0 "[ . 1 . 2]" 1
881 1 82 VAL QG 1 85 CYS H . . 5.290 4.643 4.440 4.748 . 0 0 "[ . 1 . 2]" 1
882 1 82 VAL QG 1 85 CYS HB3 . . 4.540 4.029 3.743 4.477 . 0 0 "[ . 1 . 2]" 1
883 1 82 VAL QG 1 119 ARG HA . . 4.350 2.457 2.061 2.782 . 0 0 "[ . 1 . 2]" 1
884 1 82 VAL QG 1 119 ARG QB . . 4.800 3.207 1.996 3.541 . 0 0 "[ . 1 . 2]" 1
885 1 82 VAL QG 1 119 ARG HD2 . . 4.340 4.123 3.147 4.356 0.016 9 0 "[ . 1 . 2]" 1
886 1 82 VAL QG 1 119 ARG HD3 . . 4.000 3.149 1.904 3.673 . 0 0 "[ . 1 . 2]" 1
887 1 82 VAL QG 1 119 ARG HE . . 5.280 3.618 2.043 4.712 . 0 0 "[ . 1 . 2]" 1
888 1 82 VAL QG 1 119 ARG HG2 . . 3.470 2.137 1.909 3.467 . 0 0 "[ . 1 . 2]" 1
889 1 82 VAL QG 1 119 ARG HG3 . . 4.100 3.254 2.676 3.785 . 0 0 "[ . 1 . 2]" 1
890 1 82 VAL QG 1 122 CYS H . . 4.990 3.966 3.144 4.290 . 0 0 "[ . 1 . 2]" 1
891 1 82 VAL QG 1 122 CYS QB . . 3.920 2.047 1.847 2.558 . 0 0 "[ . 1 . 2]" 1
892 1 82 VAL QG 1 123 ILE H . . 4.440 3.056 2.196 3.467 . 0 0 "[ . 1 . 2]" 1
893 1 82 VAL QG 1 123 ILE HA . . 3.380 3.329 2.875 3.446 0.066 20 0 "[ . 1 . 2]" 1
894 1 82 VAL QG 1 123 ILE HG13 . . 3.590 2.222 1.886 4.125 0.535 6 1 "[ .+ 1 . 2]" 1
895 1 83 ARG H 1 83 ARG HB2 . . 3.930 3.594 2.890 3.903 . 0 0 "[ . 1 . 2]" 1
896 1 83 ARG H 1 83 ARG QD . . 4.930 4.170 3.949 4.370 . 0 0 "[ . 1 . 2]" 1
897 1 83 ARG H 1 83 ARG HE . . 4.690 4.099 3.343 4.744 0.054 9 0 "[ . 1 . 2]" 1
898 1 83 ARG H 1 83 ARG HG2 . . 3.180 2.290 1.951 2.881 . 0 0 "[ . 1 . 2]" 1
899 1 83 ARG H 1 83 ARG HG3 . . 3.360 2.875 2.219 3.442 0.082 11 0 "[ . 1 . 2]" 1
900 1 83 ARG H 1 84 ASP H . . 3.490 2.813 2.628 2.985 . 0 0 "[ . 1 . 2]" 1
901 1 83 ARG H 1 84 ASP HA . . 5.500 5.408 5.232 5.550 0.050 9 0 "[ . 1 . 2]" 1
902 1 83 ARG HA 1 83 ARG QD . . 4.450 4.320 3.617 4.533 0.083 17 0 "[ . 1 . 2]" 1
903 1 83 ARG HA 1 83 ARG HE . . 5.430 4.716 2.861 5.514 0.084 18 0 "[ . 1 . 2]" 1
904 1 83 ARG HA 1 83 ARG HG2 . . 3.750 3.552 2.617 3.993 0.243 9 0 "[ . 1 . 2]" 1
905 1 83 ARG HA 1 84 ASP H . . 4.190 3.584 3.416 3.680 . 0 0 "[ . 1 . 2]" 1
906 1 83 ARG HA 1 86 TYR H . . 4.470 3.608 3.250 3.794 . 0 0 "[ . 1 . 2]" 1
907 1 83 ARG HA 1 86 TYR HB2 . . 4.000 3.436 2.532 3.737 . 0 0 "[ . 1 . 2]" 1
908 1 83 ARG HA 1 86 TYR HB3 . . 3.790 2.310 2.096 2.522 . 0 0 "[ . 1 . 2]" 1
909 1 83 ARG HA 1 87 ASN H . . 4.420 3.773 3.576 4.075 . 0 0 "[ . 1 . 2]" 1
910 1 83 ARG HB2 1 83 ARG QD . . 2.680 2.465 2.082 2.987 0.307 13 0 "[ . 1 . 2]" 1
911 1 83 ARG HB2 1 83 ARG HE . . 4.450 3.511 2.324 4.036 . 0 0 "[ . 1 . 2]" 1
912 1 83 ARG HB2 1 83 ARG HG3 . . 2.660 2.494 2.182 2.827 0.167 9 0 "[ . 1 . 2]" 1
913 1 83 ARG HB2 1 84 ASP H . . 4.680 3.471 2.171 3.950 . 0 0 "[ . 1 . 2]" 1
914 1 83 ARG HB2 1 86 TYR HB3 . . 4.350 4.425 3.807 5.138 0.788 13 4 "[ *.- 1 + .* 2]" 1
915 1 83 ARG HB2 1 87 ASN HD21 . . 4.620 3.027 2.700 3.932 . 0 0 "[ . 1 . 2]" 1
916 1 83 ARG HB2 1 87 ASN HD22 . . 4.750 3.380 2.830 4.537 . 0 0 "[ . 1 . 2]" 1
917 1 83 ARG HB3 1 83 ARG QD . . 2.890 2.700 2.101 2.919 0.029 17 0 "[ . 1 . 2]" 1
918 1 83 ARG HB3 1 83 ARG HE . . 3.960 3.231 2.340 4.505 0.545 15 1 "[ . 1 + 2]" 1
919 1 83 ARG HB3 1 84 ASP H . . 4.400 4.093 3.428 4.368 . 0 0 "[ . 1 . 2]" 1
920 1 83 ARG HB3 1 87 ASN HD21 . . 4.640 4.140 2.913 4.688 0.048 17 0 "[ . 1 . 2]" 1
921 1 83 ARG HB3 1 87 ASN HD22 . . 4.500 4.358 3.054 4.827 0.327 5 0 "[ . 1 . 2]" 1
922 1 83 ARG QD 1 84 ASP H . . 5.180 4.283 3.863 4.886 . 0 0 "[ . 1 . 2]" 1
923 1 83 ARG QD 1 87 ASN HD21 . . 4.850 4.607 3.984 5.057 0.207 16 0 "[ . 1 . 2]" 1
924 1 83 ARG QD 1 87 ASN HD22 . . 5.070 4.409 3.560 5.117 0.047 14 0 "[ . 1 . 2]" 1
925 1 83 ARG HG2 1 84 ASP H . . 3.710 3.395 2.509 3.991 0.281 16 0 "[ . 1 . 2]" 1
926 1 83 ARG HG3 1 84 ASP H . . 3.890 2.571 2.170 3.721 . 0 0 "[ . 1 . 2]" 1
927 1 84 ASP H 1 84 ASP HB2 . . 3.910 2.357 2.127 2.566 . 0 0 "[ . 1 . 2]" 1
928 1 84 ASP H 1 84 ASP HB3 . . 3.620 3.460 2.697 3.698 0.078 13 0 "[ . 1 . 2]" 1
929 1 84 ASP H 1 85 CYS H . . 3.610 2.698 2.535 2.928 . 0 0 "[ . 1 . 2]" 1
930 1 84 ASP H 1 86 TYR H . . 4.600 4.080 3.767 4.297 . 0 0 "[ . 1 . 2]" 1
931 1 84 ASP HA 1 85 CYS H . . 4.490 3.589 3.548 3.633 . 0 0 "[ . 1 . 2]" 1
932 1 84 ASP HA 1 87 ASN H . . 4.250 3.465 3.041 3.858 . 0 0 "[ . 1 . 2]" 1
933 1 84 ASP HA 1 87 ASN HB2 . . 3.950 2.575 2.330 2.764 . 0 0 "[ . 1 . 2]" 1
934 1 84 ASP HA 1 87 ASN HB3 . . 4.070 4.085 3.981 4.151 0.081 6 0 "[ . 1 . 2]" 1
935 1 84 ASP HA 1 87 ASN HD21 . . 5.030 3.193 2.039 3.722 . 0 0 "[ . 1 . 2]" 1
936 1 84 ASP HA 1 88 MET H . . 4.830 4.293 3.802 4.658 . 0 0 "[ . 1 . 2]" 1
937 1 84 ASP HB2 1 85 CYS H . . 4.670 2.913 2.241 3.780 . 0 0 "[ . 1 . 2]" 1
938 1 84 ASP HB3 1 85 CYS H . . 3.810 3.293 2.470 3.707 . 0 0 "[ . 1 . 2]" 1
939 1 85 CYS H 1 85 CYS HB2 . . 3.680 2.567 2.330 3.536 . 0 0 "[ . 1 . 2]" 1
940 1 85 CYS H 1 85 CYS HB3 . . 3.600 2.438 2.222 2.604 . 0 0 "[ . 1 . 2]" 1
941 1 85 CYS H 1 86 TYR H . . 3.730 2.643 2.436 2.843 . 0 0 "[ . 1 . 2]" 1
942 1 85 CYS HA 1 86 TYR H . . 4.490 3.582 3.535 3.628 . 0 0 "[ . 1 . 2]" 1
943 1 85 CYS HA 1 88 MET H . . 4.240 3.767 3.411 4.225 . 0 0 "[ . 1 . 2]" 1
944 1 85 CYS HB2 1 86 TYR H . . 4.280 3.821 3.706 3.921 . 0 0 "[ . 1 . 2]" 1
945 1 85 CYS HB3 1 86 TYR H . . 3.690 2.620 2.370 3.644 . 0 0 "[ . 1 . 2]" 1
946 1 86 TYR H 1 86 TYR HB2 . . 3.660 2.546 2.340 2.705 . 0 0 "[ . 1 . 2]" 1
947 1 86 TYR H 1 86 TYR HB3 . . 3.510 2.398 2.322 2.587 . 0 0 "[ . 1 . 2]" 1
948 1 86 TYR H 1 86 TYR QD . . 4.460 4.173 4.133 4.229 . 0 0 "[ . 1 . 2]" 1
949 1 86 TYR H 1 87 ASN H . . 3.810 2.890 2.749 3.053 . 0 0 "[ . 1 . 2]" 1
950 1 86 TYR HA 1 86 TYR QD . . 3.510 3.131 2.742 3.402 . 0 0 "[ . 1 . 2]" 1
951 1 86 TYR HA 1 87 ASN H . . 4.490 3.590 3.552 3.644 . 0 0 "[ . 1 . 2]" 1
952 1 86 TYR HA 1 89 SER H . . 4.240 3.745 3.435 3.989 . 0 0 "[ . 1 . 2]" 1
953 1 86 TYR HA 1 90 VAL H . . 4.850 3.716 3.434 3.996 . 0 0 "[ . 1 . 2]" 1
954 1 86 TYR HA 1 118 ILE MG . . 3.260 2.079 1.891 2.584 . 0 0 "[ . 1 . 2]" 1
955 1 86 TYR HB3 1 87 ASN H . . 3.710 2.476 2.129 2.856 . 0 0 "[ . 1 . 2]" 1
956 1 86 TYR QD 1 87 ASN H . . 4.220 2.882 2.468 3.422 . 0 0 "[ . 1 . 2]" 1
957 1 86 TYR QD 1 87 ASN HA . . 4.160 2.874 2.449 3.617 . 0 0 "[ . 1 . 2]" 1
958 1 86 TYR QD 1 90 VAL QG . . 4.310 3.074 2.603 3.410 . 0 0 "[ . 1 . 2]" 1
959 1 86 TYR QD 1 118 ILE HB . . 3.960 3.106 2.757 3.537 . 0 0 "[ . 1 . 2]" 1
960 1 86 TYR QD 1 118 ILE MG . . 3.760 2.652 2.166 3.060 . 0 0 "[ . 1 . 2]" 1
961 1 86 TYR QD 1 119 ARG H . . 4.190 3.114 2.646 3.432 . 0 0 "[ . 1 . 2]" 1
962 1 86 TYR QD 1 119 ARG HA . . 3.620 3.187 2.735 3.703 0.083 5 0 "[ . 1 . 2]" 1
963 1 86 TYR QD 1 119 ARG QB . . 3.960 2.681 2.309 2.991 . 0 0 "[ . 1 . 2]" 1
964 1 86 TYR QE 1 90 VAL QG . . 4.070 2.762 2.413 3.252 . 0 0 "[ . 1 . 2]" 1
965 1 86 TYR QE 1 115 SER HA . . 3.840 2.210 2.002 2.594 . 0 0 "[ . 1 . 2]" 1
966 1 86 TYR QE 1 115 SER HB3 . . 4.140 3.439 2.188 4.219 0.079 20 0 "[ . 1 . 2]" 1
967 1 86 TYR QE 1 118 ILE HB . . 4.030 3.752 3.234 4.119 0.089 10 0 "[ . 1 . 2]" 1
968 1 86 TYR QE 1 118 ILE MG . . 4.290 4.166 3.618 4.406 0.116 6 0 "[ . 1 . 2]" 1
969 1 86 TYR QE 1 119 ARG H . . 4.230 3.817 3.351 4.206 . 0 0 "[ . 1 . 2]" 1
970 1 86 TYR QE 1 119 ARG QB . . 3.800 3.279 2.873 3.882 0.082 3 0 "[ . 1 . 2]" 1
971 1 87 ASN H 1 87 ASN HB2 . . 3.730 2.216 2.142 2.306 . 0 0 "[ . 1 . 2]" 1
972 1 87 ASN H 1 87 ASN HB3 . . 3.400 3.486 3.452 3.559 0.159 3 0 "[ . 1 . 2]" 1
973 1 87 ASN H 1 87 ASN HD21 . . 4.520 2.736 2.229 3.869 . 0 0 "[ . 1 . 2]" 1
974 1 87 ASN H 1 87 ASN HD22 . . 4.960 4.132 3.903 4.581 . 0 0 "[ . 1 . 2]" 1
975 1 87 ASN H 1 88 MET H . . 3.890 2.912 2.723 3.316 . 0 0 "[ . 1 . 2]" 1
976 1 87 ASN H 1 89 SER H . . 4.950 4.479 3.905 4.980 0.030 16 0 "[ . 1 . 2]" 1
977 1 87 ASN HA 1 87 ASN HD22 . . 5.230 4.119 3.520 4.572 . 0 0 "[ . 1 . 2]" 1
978 1 87 ASN HA 1 88 MET H . . 4.740 3.572 3.518 3.648 . 0 0 "[ . 1 . 2]" 1
979 1 87 ASN HA 1 90 VAL H . . 4.190 3.914 3.511 4.193 0.003 5 0 "[ . 1 . 2]" 1
980 1 87 ASN HA 1 90 VAL HB . . 4.290 3.456 2.331 4.393 0.103 16 0 "[ . 1 . 2]" 1
981 1 87 ASN HA 1 90 VAL QG . . 3.820 2.722 1.831 3.418 . 0 0 "[ . 1 . 2]" 1
982 1 87 ASN HB2 1 88 MET H . . 4.440 2.878 2.652 3.304 . 0 0 "[ . 1 . 2]" 1
983 1 87 ASN HB3 1 88 MET H . . 4.210 3.247 2.727 3.882 . 0 0 "[ . 1 . 2]" 1
984 1 88 MET H 1 88 MET QB . . 3.650 2.194 2.065 2.833 . 0 0 "[ . 1 . 2]" 1
985 1 88 MET H 1 88 MET ME . . 5.500 4.658 4.402 4.955 . 0 0 "[ . 1 . 2]" 1
986 1 88 MET H 1 89 SER H . . 3.540 2.722 2.404 2.955 . 0 0 "[ . 1 . 2]" 1
987 1 88 MET H 1 90 VAL H . . 4.670 4.153 3.854 4.416 . 0 0 "[ . 1 . 2]" 1
988 1 88 MET HA 1 88 MET ME . . 3.730 2.891 2.081 3.704 . 0 0 "[ . 1 . 2]" 1
989 1 88 MET HA 1 88 MET QG . . 3.470 2.626 2.143 3.529 0.059 7 0 "[ . 1 . 2]" 1
990 1 88 MET HA 1 89 SER H . . 3.830 3.624 3.536 3.678 . 0 0 "[ . 1 . 2]" 1
991 1 88 MET HA 1 91 THR H . . 4.470 3.553 3.044 3.938 . 0 0 "[ . 1 . 2]" 1
992 1 88 MET HA 1 91 THR HB . . 3.310 2.882 2.450 3.267 . 0 0 "[ . 1 . 2]" 1
993 1 88 MET HA 1 91 THR MG . . 3.980 3.988 3.591 4.097 0.117 20 0 "[ . 1 . 2]" 1
994 1 88 MET QB 1 88 MET ME . . 3.430 2.527 2.003 3.312 . 0 0 "[ . 1 . 2]" 1
995 1 88 MET QB 1 89 SER H . . 4.010 2.552 2.036 3.581 . 0 0 "[ . 1 . 2]" 1
996 1 88 MET QB 1 89 SER HA . . 4.070 3.894 3.599 4.045 . 0 0 "[ . 1 . 2]" 1
997 1 88 MET ME 1 88 MET QG . . 3.430 2.422 2.041 2.774 . 0 0 "[ . 1 . 2]" 1
998 1 88 MET ME 1 91 THR HA . . 5.500 5.598 5.554 5.629 0.129 7 0 "[ . 1 . 2]" 1
999 1 88 MET ME 1 91 THR HB . . 3.930 3.450 2.981 3.890 . 0 0 "[ . 1 . 2]" 1
1000 1 88 MET ME 1 92 GLU H . . 4.410 3.114 2.799 3.889 . 0 0 "[ . 1 . 2]" 1
1001 1 88 MET ME 1 92 GLU HG2 . . 5.070 2.221 1.897 3.479 . 0 0 "[ . 1 . 2]" 1
1002 1 88 MET ME 1 92 GLU HG3 . . 3.310 2.298 1.984 3.416 0.106 16 0 "[ . 1 . 2]" 1
1003 1 89 SER H 1 89 SER QB . . 3.680 2.334 1.961 2.733 . 0 0 "[ . 1 . 2]" 1
1004 1 89 SER H 1 89 SER HG . . 3.630 2.567 1.967 3.708 0.078 17 0 "[ . 1 . 2]" 1
1005 1 89 SER H 1 90 VAL H . . 3.740 2.828 2.476 3.149 . 0 0 "[ . 1 . 2]" 1
1006 1 89 SER H 1 91 THR H . . 4.750 4.451 3.892 4.752 0.002 17 0 "[ . 1 . 2]" 1
1007 1 89 SER H 1 92 GLU HB2 . . 4.970 4.862 4.509 5.047 0.077 16 0 "[ . 1 . 2]" 1
1008 1 89 SER H 1 118 ILE MD . . 5.040 4.759 4.482 5.108 0.068 7 0 "[ . 1 . 2]" 1
1009 1 89 SER H 1 118 ILE MG . . 4.770 3.979 3.631 4.433 . 0 0 "[ . 1 . 2]" 1
1010 1 89 SER HA 1 90 VAL H . . 4.610 3.592 3.497 3.646 . 0 0 "[ . 1 . 2]" 1
1011 1 89 SER HA 1 90 VAL HA . . 4.820 4.863 4.787 4.906 0.086 7 0 "[ . 1 . 2]" 1
1012 1 89 SER HA 1 92 GLU H . . 4.370 3.353 3.003 3.691 . 0 0 "[ . 1 . 2]" 1
1013 1 89 SER HA 1 92 GLU HB2 . . 3.980 2.467 2.115 2.948 . 0 0 "[ . 1 . 2]" 1
1014 1 89 SER HA 1 93 TYR H . . 5.440 4.565 3.927 5.099 . 0 0 "[ . 1 . 2]" 1
1015 1 89 SER HA 1 118 ILE MD . . 5.500 4.211 3.975 4.499 . 0 0 "[ . 1 . 2]" 1
1016 1 89 SER QB 1 90 VAL H . . 4.310 2.670 2.294 2.924 . 0 0 "[ . 1 . 2]" 1
1017 1 89 SER QB 1 90 VAL QG . . 4.490 3.690 3.207 4.158 . 0 0 "[ . 1 . 2]" 1
1018 1 89 SER QB 1 93 TYR QD . . 4.100 3.313 2.634 4.030 . 0 0 "[ . 1 . 2]" 1
1019 1 89 SER QB 1 118 ILE MD . . 3.920 2.305 2.024 2.738 . 0 0 "[ . 1 . 2]" 1
1020 1 89 SER QB 1 118 ILE MG . . 3.270 2.024 1.883 2.345 . 0 0 "[ . 1 . 2]" 1
1021 1 89 SER HG 1 90 VAL H . . 5.100 4.480 4.007 5.165 0.065 17 0 "[ . 1 . 2]" 1
1022 1 90 VAL H 1 90 VAL HB . . 3.690 2.430 1.962 3.647 . 0 0 "[ . 1 . 2]" 1
1023 1 90 VAL H 1 90 VAL QG . . 3.960 2.341 1.868 2.677 . 0 0 "[ . 1 . 2]" 1
1024 1 90 VAL H 1 91 THR H . . 3.900 2.926 2.767 3.094 . 0 0 "[ . 1 . 2]" 1
1025 1 90 VAL H 1 118 ILE MD . . 4.750 3.310 2.797 4.138 . 0 0 "[ . 1 . 2]" 1
1026 1 90 VAL H 1 118 ILE MG . . 5.140 3.404 2.895 4.231 . 0 0 "[ . 1 . 2]" 1
1027 1 90 VAL HA 1 91 THR H . . 4.650 3.603 3.221 3.690 . 0 0 "[ . 1 . 2]" 1
1028 1 90 VAL HA 1 94 ILE H . . 4.660 4.687 4.423 4.736 0.076 9 0 "[ . 1 . 2]" 1
1029 1 90 VAL HA 1 94 ILE MD . . 3.830 3.072 2.215 3.924 0.094 13 0 "[ . 1 . 2]" 1
1030 1 90 VAL HA 1 94 ILE HG13 . . 4.220 2.981 2.242 3.437 . 0 0 "[ . 1 . 2]" 1
1031 1 90 VAL HA 1 118 ILE MD . . 3.900 2.772 2.202 3.671 . 0 0 "[ . 1 . 2]" 1
1032 1 90 VAL HB 1 91 THR H . . 4.260 3.343 2.318 4.134 . 0 0 "[ . 1 . 2]" 1
1033 1 90 VAL HB 1 94 ILE MD . . 3.840 3.747 2.000 3.958 0.118 9 0 "[ . 1 . 2]" 1
1034 1 90 VAL QG 1 91 THR H . . 4.830 2.480 1.942 3.773 . 0 0 "[ . 1 . 2]" 1
1035 1 90 VAL QG 1 91 THR HB . . 4.700 3.937 3.378 4.631 . 0 0 "[ . 1 . 2]" 1
1036 1 90 VAL QG 1 94 ILE H . . 5.390 4.471 4.128 5.096 . 0 0 "[ . 1 . 2]" 1
1037 1 90 VAL QG 1 94 ILE HB . . 3.590 2.798 2.482 3.462 . 0 0 "[ . 1 . 2]" 1
1038 1 90 VAL QG 1 94 ILE MD . . 2.990 1.883 1.788 2.495 . 0 0 "[ . 1 . 2]" 1
1039 1 90 VAL QG 1 94 ILE HG13 . . 3.790 2.959 2.328 3.535 . 0 0 "[ . 1 . 2]" 1
1040 1 90 VAL QG 1 94 ILE MG . . 3.200 3.089 2.840 3.267 0.067 16 0 "[ . 1 . 2]" 1
1041 1 90 VAL QG 1 95 ILE H . . 5.080 4.526 4.315 4.987 . 0 0 "[ . 1 . 2]" 1
1042 1 90 VAL QG 1 95 ILE HG12 . . 4.270 4.039 3.651 4.294 0.024 14 0 "[ . 1 . 2]" 1
1043 1 90 VAL QG 1 115 SER HA . . 5.500 3.769 2.966 4.587 . 0 0 "[ . 1 . 2]" 1
1044 1 90 VAL QG 1 118 ILE MD . . 3.640 2.799 2.132 3.528 . 0 0 "[ . 1 . 2]" 1
1045 1 90 VAL QG 1 118 ILE MG . . 4.130 3.246 2.143 4.091 . 0 0 "[ . 1 . 2]" 1
1046 1 91 THR H 1 91 THR HB . . 3.620 2.270 2.018 2.529 . 0 0 "[ . 1 . 2]" 1
1047 1 91 THR H 1 91 THR MG . . 4.720 3.677 3.531 3.767 . 0 0 "[ . 1 . 2]" 1
1048 1 91 THR H 1 92 GLU H . . 3.880 2.756 1.985 3.005 . 0 0 "[ . 1 . 2]" 1
1049 1 91 THR HA 1 91 THR MG . . 3.100 2.756 2.595 2.927 . 0 0 "[ . 1 . 2]" 1
1050 1 91 THR HA 1 92 GLU H . . 4.490 3.573 3.530 3.609 . 0 0 "[ . 1 . 2]" 1
1051 1 91 THR HA 1 94 ILE H . . 4.490 3.220 3.089 3.402 . 0 0 "[ . 1 . 2]" 1
1052 1 91 THR HA 1 94 ILE HB . . 3.210 2.670 2.523 2.762 . 0 0 "[ . 1 . 2]" 1
1053 1 91 THR HA 1 94 ILE MD . . 4.360 4.426 4.130 4.465 0.105 8 0 "[ . 1 . 2]" 1
1054 1 91 THR HA 1 94 ILE HG13 . . 4.350 4.429 4.400 4.447 0.097 5 0 "[ . 1 . 2]" 1
1055 1 91 THR HA 1 94 ILE MG . . 3.710 3.791 3.537 3.820 0.110 7 0 "[ . 1 . 2]" 1
1056 1 91 THR HA 1 95 ILE H . . 3.870 2.409 2.064 2.606 . 0 0 "[ . 1 . 2]" 1
1057 1 91 THR HA 1 95 ILE MD . . 4.160 3.901 3.731 4.046 . 0 0 "[ . 1 . 2]" 1
1058 1 91 THR HA 1 95 ILE HG12 . . 3.460 2.226 2.035 2.446 . 0 0 "[ . 1 . 2]" 1
1059 1 91 THR HA 1 95 ILE HG13 . . 3.610 3.340 2.790 3.645 0.035 4 0 "[ . 1 . 2]" 1
1060 1 91 THR HB 1 92 GLU H . . 3.680 2.752 2.514 3.264 . 0 0 "[ . 1 . 2]" 1
1061 1 91 THR MG 1 92 GLU H . . 4.660 3.223 2.933 3.473 . 0 0 "[ . 1 . 2]" 1
1062 1 91 THR MG 1 92 GLU HA . . 3.400 3.351 3.137 3.494 0.094 15 0 "[ . 1 . 2]" 1
1063 1 91 THR MG 1 92 GLU HG2 . . 4.570 3.821 2.851 4.414 . 0 0 "[ . 1 . 2]" 1
1064 1 91 THR MG 1 95 ILE HB . . 3.590 2.230 2.083 2.722 . 0 0 "[ . 1 . 2]" 1
1065 1 91 THR MG 1 95 ILE MD . . 3.970 3.872 3.713 4.065 0.095 12 0 "[ . 1 . 2]" 1
1066 1 91 THR MG 1 95 ILE HG12 . . 3.490 3.009 2.634 3.541 0.051 8 0 "[ . 1 . 2]" 1
1067 1 91 THR MG 1 95 ILE HG13 . . 2.870 2.441 2.202 2.755 . 0 0 "[ . 1 . 2]" 1
1068 1 91 THR MG 1 96 LYS HE2 . . 4.030 4.030 3.740 4.128 0.098 12 0 "[ . 1 . 2]" 1
1069 1 91 THR MG 1 96 LYS HE3 . . 3.910 3.353 2.779 3.978 0.068 7 0 "[ . 1 . 2]" 1
1070 1 91 THR MG 1 96 LYS HG2 . . 4.300 3.773 3.327 3.951 . 0 0 "[ . 1 . 2]" 1
1071 1 91 THR MG 1 96 LYS HG3 . . 3.710 3.795 3.758 3.813 0.103 9 0 "[ . 1 . 2]" 1
1072 1 92 GLU H 1 92 GLU HB2 . . 3.780 2.156 2.001 2.391 . 0 0 "[ . 1 . 2]" 1
1073 1 92 GLU H 1 92 GLU HB3 . . 4.020 3.376 3.068 3.580 . 0 0 "[ . 1 . 2]" 1
1074 1 92 GLU H 1 92 GLU HG2 . . 3.850 3.097 2.236 3.836 . 0 0 "[ . 1 . 2]" 1
1075 1 92 GLU H 1 93 TYR H . . 3.730 2.809 2.742 2.906 . 0 0 "[ . 1 . 2]" 1
1076 1 92 GLU H 1 94 ILE H . . 4.750 4.211 4.132 4.323 . 0 0 "[ . 1 . 2]" 1
1077 1 92 GLU HA 1 92 GLU HG2 . . 3.950 2.426 2.208 2.801 . 0 0 "[ . 1 . 2]" 1
1078 1 92 GLU HA 1 92 GLU HG3 . . 4.130 3.607 3.469 3.724 . 0 0 "[ . 1 . 2]" 1
1079 1 92 GLU HA 1 93 TYR H . . 4.820 3.490 3.441 3.530 . 0 0 "[ . 1 . 2]" 1
1080 1 92 GLU HA 1 95 ILE H . . 4.760 4.825 4.800 4.842 0.082 8 0 "[ . 1 . 2]" 1
1081 1 92 GLU HA 1 95 ILE HB . . 4.920 4.895 4.622 4.992 0.072 11 0 "[ . 1 . 2]" 1
1082 1 92 GLU HA 1 96 LYS H . . 4.850 3.947 3.761 4.283 . 0 0 "[ . 1 . 2]" 1
1083 1 92 GLU HA 1 96 LYS HB3 . . 4.890 4.782 4.658 4.937 0.047 8 0 "[ . 1 . 2]" 1
1084 1 92 GLU HA 1 96 LYS HG3 . . 3.700 2.090 1.959 2.196 . 0 0 "[ . 1 . 2]" 1
1085 1 92 GLU HB2 1 93 TYR H . . 4.500 3.455 3.093 3.828 . 0 0 "[ . 1 . 2]" 1
1086 1 92 GLU HB3 1 93 TYR H . . 4.860 3.630 3.221 4.036 . 0 0 "[ . 1 . 2]" 1
1087 1 93 TYR H 1 93 TYR HB2 . . 4.080 2.875 2.675 3.141 . 0 0 "[ . 1 . 2]" 1
1088 1 93 TYR H 1 93 TYR QD . . 4.590 3.439 3.242 3.624 . 0 0 "[ . 1 . 2]" 1
1089 1 93 TYR H 1 93 TYR QE . . 5.500 4.935 4.582 5.263 . 0 0 "[ . 1 . 2]" 1
1090 1 93 TYR H 1 94 ILE H . . 3.730 2.260 2.185 2.357 . 0 0 "[ . 1 . 2]" 1
1091 1 93 TYR H 1 94 ILE MG . . 5.260 5.316 5.166 5.345 0.085 19 0 "[ . 1 . 2]" 1
1092 1 93 TYR H 1 95 ILE H . . 4.780 3.988 3.866 4.175 . 0 0 "[ . 1 . 2]" 1
1093 1 93 TYR HA 1 93 TYR QD . . 3.260 2.743 2.396 3.116 . 0 0 "[ . 1 . 2]" 1
1094 1 93 TYR HA 1 94 ILE H . . 4.670 3.020 2.959 3.089 . 0 0 "[ . 1 . 2]" 1
1095 1 93 TYR HA 1 96 LYS HG3 . . 3.980 4.074 4.066 4.078 0.098 11 0 "[ . 1 . 2]" 1
1096 1 93 TYR HA 1 97 PRO HB3 . . 4.220 4.305 4.295 4.315 0.095 14 0 "[ . 1 . 2]" 1
1097 1 93 TYR HA 1 97 PRO HG2 . . 4.120 3.970 3.660 4.177 0.057 19 0 "[ . 1 . 2]" 1
1098 1 93 TYR HA 1 97 PRO HG3 . . 4.230 2.781 2.472 3.009 . 0 0 "[ . 1 . 2]" 1
1099 1 93 TYR HB2 1 118 ILE MD . . 4.180 3.478 2.820 3.878 . 0 0 "[ . 1 . 2]" 1
1100 1 93 TYR QD 1 94 ILE MD . . 5.500 5.486 4.961 5.628 0.128 11 0 "[ . 1 . 2]" 1
1101 1 93 TYR QD 1 118 ILE MD . . 3.690 2.369 2.072 3.015 . 0 0 "[ . 1 . 2]" 1
1102 1 93 TYR QD 1 118 ILE MG . . 4.490 4.519 3.885 4.612 0.122 1 0 "[ . 1 . 2]" 1
1103 1 93 TYR QE 1 118 ILE MD . . 4.130 3.439 2.556 4.253 0.123 6 0 "[ . 1 . 2]" 1
1104 1 94 ILE H 1 94 ILE HB . . 3.680 2.710 2.607 2.769 . 0 0 "[ . 1 . 2]" 1
1105 1 94 ILE H 1 94 ILE MD . . 4.900 4.472 4.259 4.629 . 0 0 "[ . 1 . 2]" 1
1106 1 94 ILE H 1 94 ILE HG12 . . 4.710 4.049 3.859 4.133 . 0 0 "[ . 1 . 2]" 1
1107 1 94 ILE H 1 94 ILE HG13 . . 4.160 3.233 3.064 3.430 . 0 0 "[ . 1 . 2]" 1
1108 1 94 ILE H 1 94 ILE MG . . 4.510 3.850 3.789 3.891 . 0 0 "[ . 1 . 2]" 1
1109 1 94 ILE H 1 95 ILE H . . 3.520 2.105 1.943 2.292 . 0 0 "[ . 1 . 2]" 1
1110 1 94 ILE H 1 95 ILE MD . . 5.310 5.038 4.767 5.240 . 0 0 "[ . 1 . 2]" 1
1111 1 94 ILE H 1 96 LYS H . . 4.750 2.991 2.681 3.256 . 0 0 "[ . 1 . 2]" 1
1112 1 94 ILE H 1 97 PRO HD2 . . 4.650 2.632 2.436 2.770 . 0 0 "[ . 1 . 2]" 1
1113 1 94 ILE HA 1 94 ILE MD . . 3.750 3.741 3.631 3.824 0.074 17 0 "[ . 1 . 2]" 1
1114 1 94 ILE HA 1 94 ILE HG12 . . 3.680 2.311 2.234 2.380 . 0 0 "[ . 1 . 2]" 1
1115 1 94 ILE HA 1 94 ILE HG13 . . 3.830 3.078 2.880 3.238 . 0 0 "[ . 1 . 2]" 1
1116 1 94 ILE HA 1 94 ILE MG . . 3.090 2.566 2.478 2.680 . 0 0 "[ . 1 . 2]" 1
1117 1 94 ILE HA 1 95 ILE H . . 4.140 3.632 3.604 3.663 . 0 0 "[ . 1 . 2]" 1
1118 1 94 ILE HA 1 97 PRO HB2 . . 4.430 4.498 4.442 4.510 0.080 15 0 "[ . 1 . 2]" 1
1119 1 94 ILE HA 1 97 PRO HG2 . . 3.760 2.305 2.216 2.391 . 0 0 "[ . 1 . 2]" 1
1120 1 94 ILE HA 1 97 PRO HG3 . . 4.030 3.250 3.020 3.546 . 0 0 "[ . 1 . 2]" 1
1121 1 94 ILE HA 1 98 ALA H . . 5.440 4.492 3.920 5.381 . 0 0 "[ . 1 . 2]" 1
1122 1 94 ILE HB 1 94 ILE MD . . 3.450 2.630 2.569 2.707 . 0 0 "[ . 1 . 2]" 1
1123 1 94 ILE MD 1 94 ILE MG . . 2.400 2.044 1.977 2.106 . 0 0 "[ . 1 . 2]" 1
1124 1 94 ILE MD 1 111 THR HA . . 3.690 3.411 2.959 3.800 0.110 8 0 "[ . 1 . 2]" 1
1125 1 94 ILE MD 1 111 THR MG . . 3.660 2.890 2.139 3.812 0.152 17 0 "[ . 1 . 2]" 1
1126 1 94 ILE HG12 1 94 ILE MG . . 2.780 2.636 2.400 2.741 . 0 0 "[ . 1 . 2]" 1
1127 1 94 ILE MG 1 95 ILE H . . 4.250 3.106 2.994 3.311 . 0 0 "[ . 1 . 2]" 1
1128 1 94 ILE MG 1 95 ILE MD . . 2.640 2.361 2.181 2.612 . 0 0 "[ . 1 . 2]" 1
1129 1 94 ILE MG 1 95 ILE HG12 . . 3.060 2.932 2.695 3.132 0.072 14 0 "[ . 1 . 2]" 1
1130 1 95 ILE H 1 95 ILE HB . . 3.590 2.401 2.319 2.498 . 0 0 "[ . 1 . 2]" 1
1131 1 95 ILE H 1 95 ILE MD . . 4.780 3.411 3.264 3.622 . 0 0 "[ . 1 . 2]" 1
1132 1 95 ILE H 1 95 ILE HG12 . . 3.920 2.311 2.156 2.430 . 0 0 "[ . 1 . 2]" 1
1133 1 95 ILE H 1 95 ILE HG13 . . 4.100 3.678 3.507 3.812 . 0 0 "[ . 1 . 2]" 1
1134 1 95 ILE H 1 96 LYS H . . 3.230 2.497 2.349 2.637 . 0 0 "[ . 1 . 2]" 1
1135 1 95 ILE HA 1 95 ILE MD . . 3.100 2.171 2.111 2.234 . 0 0 "[ . 1 . 2]" 1
1136 1 95 ILE HA 1 95 ILE HG12 . . 3.490 3.173 3.009 3.255 . 0 0 "[ . 1 . 2]" 1
1137 1 95 ILE HA 1 95 ILE HG13 . . 3.950 3.787 3.745 3.840 . 0 0 "[ . 1 . 2]" 1
1138 1 95 ILE HA 1 95 ILE MG . . 2.970 2.457 2.375 2.545 . 0 0 "[ . 1 . 2]" 1
1139 1 95 ILE HA 1 96 LYS H . . 3.670 3.595 3.445 3.672 0.002 5 0 "[ . 1 . 2]" 1
1140 1 95 ILE HA 1 98 ALA MB . . 3.490 2.332 2.114 2.624 . 0 0 "[ . 1 . 2]" 1
1141 1 95 ILE HB 1 95 ILE MD . . 3.350 3.297 3.287 3.308 . 0 0 "[ . 1 . 2]" 1
1142 1 95 ILE HB 1 96 LYS H . . 3.710 2.847 2.605 3.248 . 0 0 "[ . 1 . 2]" 1
1143 1 95 ILE MD 1 95 ILE MG . . 2.770 2.157 2.100 2.198 . 0 0 "[ . 1 . 2]" 1
1144 1 95 ILE HG12 1 95 ILE MG . . 3.380 3.233 3.212 3.266 . 0 0 "[ . 1 . 2]" 1
1145 1 95 ILE HG13 1 95 ILE MG . . 3.040 2.315 2.273 2.384 . 0 0 "[ . 1 . 2]" 1
1146 1 95 ILE MG 1 96 LYS H . . 4.270 3.644 3.430 3.980 . 0 0 "[ . 1 . 2]" 1
1147 1 95 ILE MG 1 96 LYS HA . . 4.070 3.791 3.610 4.107 0.037 15 0 "[ . 1 . 2]" 1
1148 1 95 ILE MG 1 98 ALA MB . . 3.440 3.303 3.013 3.524 0.084 12 0 "[ . 1 . 2]" 1
1149 1 96 LYS H 1 96 LYS HB2 . . 3.610 2.703 2.490 2.892 . 0 0 "[ . 1 . 2]" 1
1150 1 96 LYS H 1 96 LYS HB3 . . 3.470 3.552 3.547 3.557 0.087 6 0 "[ . 1 . 2]" 1
1151 1 96 LYS H 1 96 LYS QD . . 4.890 4.035 3.943 4.217 . 0 0 "[ . 1 . 2]" 1
1152 1 96 LYS H 1 96 LYS HE2 . . 5.500 4.629 4.419 5.052 . 0 0 "[ . 1 . 2]" 1
1153 1 96 LYS H 1 96 LYS HE3 . . 5.500 4.545 3.780 5.262 . 0 0 "[ . 1 . 2]" 1
1154 1 96 LYS H 1 96 LYS HG2 . . 3.900 2.411 2.123 2.744 . 0 0 "[ . 1 . 2]" 1
1155 1 96 LYS H 1 96 LYS HG3 . . 4.570 2.254 2.055 2.556 . 0 0 "[ . 1 . 2]" 1
1156 1 96 LYS H 1 97 PRO HD2 . . 4.060 2.236 1.972 2.404 . 0 0 "[ . 1 . 2]" 1
1157 1 96 LYS H 1 97 PRO HD3 . . 4.000 3.458 3.273 3.621 . 0 0 "[ . 1 . 2]" 1
1158 1 96 LYS HA 1 96 LYS QD . . 3.740 3.517 3.208 3.778 0.038 5 0 "[ . 1 . 2]" 1
1159 1 96 LYS HA 1 96 LYS HE2 . . 4.360 4.207 3.751 4.433 0.073 13 0 "[ . 1 . 2]" 1
1160 1 96 LYS HA 1 96 LYS HE3 . . 5.100 5.058 4.445 5.182 0.082 8 0 "[ . 1 . 2]" 1
1161 1 96 LYS HA 1 96 LYS HG2 . . 3.860 2.474 2.374 2.669 . 0 0 "[ . 1 . 2]" 1
1162 1 96 LYS HA 1 96 LYS HG3 . . 3.670 3.561 3.478 3.643 . 0 0 "[ . 1 . 2]" 1
1163 1 96 LYS HA 1 97 PRO HD2 . . 3.970 3.945 3.925 3.986 0.016 5 0 "[ . 1 . 2]" 1
1164 1 96 LYS HA 1 99 GLU H . . 4.240 4.060 3.545 4.318 0.078 18 0 "[ . 1 . 2]" 1
1165 1 96 LYS HA 1 99 GLU HG2 . . 3.730 3.447 2.638 3.806 0.076 13 0 "[ . 1 . 2]" 1
1166 1 96 LYS HA 1 99 GLU HG3 . . 3.800 3.599 2.466 3.884 0.084 5 0 "[ . 1 . 2]" 1
1167 1 96 LYS HB2 1 96 LYS QD . . 3.420 2.844 2.679 3.025 . 0 0 "[ . 1 . 2]" 1
1168 1 96 LYS HB2 1 96 LYS HE2 . . 5.380 4.730 4.595 4.915 . 0 0 "[ . 1 . 2]" 1
1169 1 96 LYS HB2 1 97 PRO HD2 . . 3.350 2.657 2.469 3.013 . 0 0 "[ . 1 . 2]" 1
1170 1 96 LYS HB2 1 97 PRO HD3 . . 2.920 2.115 2.008 2.240 . 0 0 "[ . 1 . 2]" 1
1171 1 96 LYS HB3 1 96 LYS QD . . 3.000 2.176 2.086 2.314 . 0 0 "[ . 1 . 2]" 1
1172 1 96 LYS HB3 1 96 LYS HE2 . . 5.270 4.040 3.791 4.277 . 0 0 "[ . 1 . 2]" 1
1173 1 96 LYS HB3 1 96 LYS HE3 . . 5.010 4.510 4.313 4.629 . 0 0 "[ . 1 . 2]" 1
1174 1 96 LYS HB3 1 97 PRO HD3 . . 3.510 3.560 3.402 3.590 0.080 5 0 "[ . 1 . 2]" 1
1175 1 96 LYS QD 1 96 LYS HE2 . . 2.790 2.367 2.277 2.457 . 0 0 "[ . 1 . 2]" 1
1176 1 96 LYS QD 1 96 LYS HG2 . . 2.600 2.466 2.399 2.537 . 0 0 "[ . 1 . 2]" 1
1177 1 96 LYS HE2 1 96 LYS HG2 . . 3.460 2.280 2.019 2.428 . 0 0 "[ . 1 . 2]" 1
1178 1 96 LYS HE2 1 96 LYS HG3 . . 3.360 3.332 3.148 3.634 0.274 16 0 "[ . 1 . 2]" 1
1179 1 96 LYS HE3 1 96 LYS HG2 . . 3.630 2.684 2.106 2.987 . 0 0 "[ . 1 . 2]" 1
1180 1 96 LYS HE3 1 96 LYS HG3 . . 3.710 2.764 2.413 2.986 . 0 0 "[ . 1 . 2]" 1
1181 1 96 LYS HG2 1 98 ALA H . . 5.500 5.551 5.327 5.585 0.085 13 0 "[ . 1 . 2]" 1
1182 1 97 PRO HA 1 98 ALA H . . 4.740 3.477 3.048 3.590 . 0 0 "[ . 1 . 2]" 1
1183 1 97 PRO HA 1 99 GLU H . . 4.380 3.446 3.169 3.791 . 0 0 "[ . 1 . 2]" 1
1184 1 97 PRO HA 1 100 GLY H . . 4.410 4.006 3.621 4.485 0.075 6 0 "[ . 1 . 2]" 1
1185 1 98 ALA H 1 99 GLU H . . 3.540 2.683 1.986 2.983 . 0 0 "[ . 1 . 2]" 1
1186 1 98 ALA HA 1 99 GLU H . . 3.500 3.457 3.379 3.536 0.036 7 0 "[ . 1 . 2]" 1
1187 1 98 ALA HA 1 99 GLU HG2 . . 5.500 5.474 5.195 5.583 0.083 11 0 "[ . 1 . 2]" 1
1188 1 98 ALA HA 1 100 GLY H . . 4.270 3.806 3.240 4.255 . 0 0 "[ . 1 . 2]" 1
1189 1 98 ALA MB 1 99 GLU H . . 4.040 3.109 2.738 3.378 . 0 0 "[ . 1 . 2]" 1
1190 1 98 ALA MB 1 99 GLU HA . . 3.890 3.966 3.765 4.003 0.113 16 0 "[ . 1 . 2]" 1
1191 1 98 ALA MB 1 99 GLU HB2 . . 5.500 5.201 4.909 5.489 . 0 0 "[ . 1 . 2]" 1
1192 1 98 ALA MB 1 99 GLU HG2 . . 4.890 3.994 3.596 4.308 . 0 0 "[ . 1 . 2]" 1
1193 1 99 GLU H 1 99 GLU HB2 . . 3.090 2.557 2.281 2.971 . 0 0 "[ . 1 . 2]" 1
1194 1 99 GLU H 1 99 GLU HG2 . . 4.090 2.240 1.833 2.502 . 0 0 "[ . 1 . 2]" 1
1195 1 99 GLU H 1 99 GLU HG3 . . 3.750 2.897 2.234 3.286 . 0 0 "[ . 1 . 2]" 1
1196 1 99 GLU H 1 100 GLY H . . 3.100 2.843 2.524 3.163 0.063 1 0 "[ . 1 . 2]" 1
1197 1 99 GLU HA 1 99 GLU HB2 . . 3.050 3.031 3.006 3.049 . 0 0 "[ . 1 . 2]" 1
1198 1 99 GLU HA 1 99 GLU HB3 . . 2.610 2.493 2.339 2.654 0.044 11 0 "[ . 1 . 2]" 1
1199 1 99 GLU HA 1 99 GLU HG2 . . 3.260 2.627 2.385 2.944 . 0 0 "[ . 1 . 2]" 1
1200 1 99 GLU HA 1 99 GLU HG3 . . 3.660 3.704 3.552 3.742 0.082 10 0 "[ . 1 . 2]" 1
1201 1 99 GLU HA 1 100 GLY H . . 3.850 3.546 3.412 3.682 . 0 0 "[ . 1 . 2]" 1
1202 1 99 GLU HB2 1 99 GLU HG2 . . 2.930 2.784 2.542 2.986 0.056 18 0 "[ . 1 . 2]" 1
1203 1 99 GLU HB2 1 99 GLU HG3 . . 3.050 2.205 2.140 2.279 . 0 0 "[ . 1 . 2]" 1
1204 1 99 GLU HB2 1 100 GLY H . . 3.560 2.728 2.386 3.252 . 0 0 "[ . 1 . 2]" 1
1205 1 99 GLU HB3 1 99 GLU HG2 . . 2.960 2.947 2.719 3.037 0.077 17 0 "[ . 1 . 2]" 1
1206 1 99 GLU HG2 1 100 GLY H . . 4.550 4.506 4.183 4.641 0.091 3 0 "[ . 1 . 2]" 1
1207 1 99 GLU HG3 1 100 GLY H . . 4.530 4.573 4.182 4.628 0.098 9 0 "[ . 1 . 2]" 1
1208 1 100 GLY H 1 100 GLY HA2 . . 2.920 2.900 2.568 3.000 0.080 13 0 "[ . 1 . 2]" 1
1209 1 100 GLY H 1 100 GLY HA3 . . 3.010 2.747 2.500 2.967 . 0 0 "[ . 1 . 2]" 1
1210 1 100 GLY H 1 101 LYS H . . 2.990 2.461 1.850 3.061 0.071 18 0 "[ . 1 . 2]" 1
1211 1 100 GLY H 1 101 LYS HA . . 4.540 4.595 4.468 4.627 0.087 3 0 "[ . 1 . 2]" 1
1212 1 100 GLY H 1 101 LYS QB . . 4.750 4.053 3.718 4.590 . 0 0 "[ . 1 . 2]" 1
1213 1 100 GLY H 1 101 LYS QG . . 5.060 3.388 2.600 3.890 . 0 0 "[ . 1 . 2]" 1
1214 1 100 GLY HA2 1 101 LYS H . . 3.560 3.100 2.281 3.602 0.042 10 0 "[ . 1 . 2]" 1
1215 1 100 GLY HA3 1 101 LYS H . . 3.540 3.177 2.387 3.632 0.092 19 0 "[ . 1 . 2]" 1
1216 1 101 LYS H 1 101 LYS QB . . 3.020 2.811 2.414 3.137 0.117 9 0 "[ . 1 . 2]" 1
1217 1 101 LYS H 1 101 LYS QD . . 5.500 4.513 3.771 4.956 . 0 0 "[ . 1 . 2]" 1
1218 1 101 LYS H 1 101 LYS QE . . 5.270 4.813 3.737 5.357 0.087 4 0 "[ . 1 . 2]" 1
1219 1 101 LYS H 1 101 LYS QG . . 3.750 2.891 2.344 3.438 . 0 0 "[ . 1 . 2]" 1
1220 1 101 LYS H 1 102 ASN H . . 3.670 3.582 2.908 3.742 0.072 15 0 "[ . 1 . 2]" 1
1221 1 101 LYS HA 1 101 LYS QB . . 2.630 2.382 2.257 2.476 . 0 0 "[ . 1 . 2]" 1
1222 1 101 LYS HA 1 101 LYS QE . . 4.710 4.066 2.467 4.708 . 0 0 "[ . 1 . 2]" 1
1223 1 101 LYS HA 1 101 LYS QG . . 2.910 2.337 2.128 2.762 . 0 0 "[ . 1 . 2]" 1
1224 1 101 LYS HA 1 102 ASN H . . 2.610 2.239 2.078 2.389 . 0 0 "[ . 1 . 2]" 1
1225 1 101 LYS QB 1 101 LYS QD . . 2.870 2.440 2.241 2.957 0.087 17 0 "[ . 1 . 2]" 1
1226 1 101 LYS QB 1 101 LYS QE . . 2.430 2.120 1.915 2.497 0.067 10 0 "[ . 1 . 2]" 1
1227 1 101 LYS QB 1 101 LYS QG . . 2.500 2.095 1.974 2.138 . 0 0 "[ . 1 . 2]" 1
1228 1 101 LYS QB 1 102 ASN H . . 3.740 3.757 3.561 3.844 0.104 2 0 "[ . 1 . 2]" 1
1229 1 101 LYS QE 1 101 LYS QG . . 2.600 2.364 2.125 2.596 . 0 0 "[ . 1 . 2]" 1
1230 1 101 LYS QG 1 102 ASN H . . 5.500 4.288 4.088 4.587 . 0 0 "[ . 1 . 2]" 1
1231 1 102 ASN H 1 102 ASN HA . . 2.960 2.893 2.812 2.951 . 0 0 "[ . 1 . 2]" 1
1232 1 102 ASN H 1 102 ASN QB . . 3.040 2.565 2.298 2.924 . 0 0 "[ . 1 . 2]" 1
1233 1 102 ASN H 1 102 ASN HD21 . . 4.240 3.627 2.421 4.310 0.070 9 0 "[ . 1 . 2]" 1
1234 1 102 ASN H 1 102 ASN HD22 . . 4.630 4.014 3.115 4.659 0.029 4 0 "[ . 1 . 2]" 1
1235 1 102 ASN HA 1 102 ASN QB . . 2.590 2.292 2.058 2.492 . 0 0 "[ . 1 . 2]" 1
1236 1 102 ASN HA 1 102 ASN HD21 . . 4.310 3.914 2.335 4.385 0.075 15 0 "[ . 1 . 2]" 1
1237 1 102 ASN HA 1 102 ASN HD22 . . 5.040 4.605 3.483 5.133 0.093 20 0 "[ . 1 . 2]" 1
1238 1 102 ASN HA 1 103 ASN H . . 2.660 2.437 2.245 2.723 0.063 16 0 "[ . 1 . 2]" 1
1239 1 103 ASN H 1 103 ASN HA . . 2.840 2.883 2.754 2.921 0.081 20 0 "[ . 1 . 2]" 1
1240 1 103 ASN H 1 103 ASN HB2 . . 3.000 2.597 1.958 3.538 0.538 6 1 "[ .+ 1 . 2]" 1
1241 1 103 ASN H 1 103 ASN HB3 . . 3.850 3.486 2.754 3.857 0.007 7 0 "[ . 1 . 2]" 1
1242 1 103 ASN H 1 103 ASN HD21 . . 4.460 3.737 2.143 4.545 0.085 11 0 "[ . 1 . 2]" 1
1243 1 103 ASN H 1 103 ASN HD22 . . 5.240 4.844 2.884 5.321 0.081 2 0 "[ . 1 . 2]" 1
1244 1 103 ASN H 1 104 SER H . . 3.120 2.253 1.630 3.179 0.059 19 0 "[ . 1 . 2]" 1
1245 1 103 ASN H 1 104 SER QB . . 4.840 3.893 3.032 4.707 . 0 0 "[ . 1 . 2]" 1
1246 1 103 ASN H 1 106 LEU QB . . 4.810 4.727 4.659 4.774 . 0 0 "[ . 1 . 2]" 1
1247 1 103 ASN HA 1 103 ASN HB2 . . 2.970 2.973 2.543 3.034 0.064 17 0 "[ . 1 . 2]" 1
1248 1 103 ASN HA 1 103 ASN HB3 . . 2.720 2.593 2.335 2.755 0.035 14 0 "[ . 1 . 2]" 1
1249 1 103 ASN HA 1 103 ASN HD21 . . 4.310 3.716 2.119 4.392 0.082 15 0 "[ . 1 . 2]" 1
1250 1 103 ASN HA 1 103 ASN HD22 . . 5.350 4.311 3.521 5.106 . 0 0 "[ . 1 . 2]" 1
1251 1 103 ASN HA 1 104 SER H . . 3.540 3.424 2.488 3.620 0.080 3 0 "[ . 1 . 2]" 1
1252 1 103 ASN HA 1 106 LEU H . . 4.790 4.478 3.823 4.855 0.065 7 0 "[ . 1 . 2]" 1
1253 1 103 ASN HA 1 106 LEU QB . . 3.670 2.791 2.485 3.233 . 0 0 "[ . 1 . 2]" 1
1254 1 103 ASN HA 1 106 LEU QD . . 3.760 3.138 2.445 3.785 0.025 16 0 "[ . 1 . 2]" 1
1255 1 103 ASN HB2 1 103 ASN HD21 . . 3.330 2.611 2.201 3.466 0.136 6 0 "[ . 1 . 2]" 1
1256 1 103 ASN HB2 1 103 ASN HD22 . . 3.690 3.675 3.489 4.066 0.376 6 0 "[ . 1 . 2]" 1
1257 1 103 ASN HB2 1 105 GLU H . . 5.180 4.741 3.787 5.261 0.081 19 0 "[ . 1 . 2]" 1
1258 1 103 ASN HB2 1 106 LEU H . . 4.830 4.631 3.129 4.913 0.083 18 0 "[ . 1 . 2]" 1
1259 1 103 ASN HB3 1 103 ASN HD21 . . 3.390 3.094 2.161 3.480 0.090 10 0 "[ . 1 . 2]" 1
1260 1 103 ASN HB3 1 104 SER H . . 5.430 3.500 2.869 4.363 . 0 0 "[ . 1 . 2]" 1
1261 1 103 ASN HB3 1 105 GLU H . . 4.930 4.583 3.900 5.247 0.317 6 0 "[ . 1 . 2]" 1
1262 1 103 ASN HB3 1 106 LEU H . . 4.900 3.628 3.213 4.893 . 0 0 "[ . 1 . 2]" 1
1263 1 104 SER H 1 104 SER HA . . 3.030 2.309 2.162 2.862 . 0 0 "[ . 1 . 2]" 1
1264 1 104 SER H 1 104 SER QB . . 3.080 2.708 2.063 2.958 . 0 0 "[ . 1 . 2]" 1
1265 1 104 SER HA 1 104 SER QB . . 2.780 2.430 2.149 2.556 . 0 0 "[ . 1 . 2]" 1
1266 1 104 SER HA 1 105 GLU H . . 2.920 2.225 2.092 2.546 . 0 0 "[ . 1 . 2]" 1
1267 1 104 SER HA 1 106 LEU H . . 4.350 4.111 3.882 4.404 0.054 4 0 "[ . 1 . 2]" 1
1268 1 104 SER HA 1 107 ASN H . . 4.910 4.551 4.114 4.997 0.087 1 0 "[ . 1 . 2]" 1
1269 1 104 SER QB 1 105 GLU H . . 4.660 3.946 3.671 4.089 . 0 0 "[ . 1 . 2]" 1
1270 1 104 SER QB 1 106 LEU H . . 4.350 4.103 3.866 4.232 . 0 0 "[ . 1 . 2]" 1
1271 1 105 GLU H 1 105 GLU HB3 . . 3.890 3.855 3.594 4.173 0.283 13 0 "[ . 1 . 2]" 1
1272 1 105 GLU H 1 105 GLU HG3 . . 5.170 4.486 3.371 5.250 0.080 18 0 "[ . 1 . 2]" 1
1273 1 105 GLU H 1 106 LEU H . . 3.230 3.111 2.565 3.308 0.078 15 0 "[ . 1 . 2]" 1
1274 1 105 GLU H 1 107 ASN H . . 2.970 2.995 2.622 3.059 0.089 6 0 "[ . 1 . 2]" 1
1275 1 105 GLU HA 1 105 GLU HB2 . . 2.770 2.585 2.333 3.049 0.279 13 0 "[ . 1 . 2]" 1
1276 1 105 GLU HA 1 105 GLU HG2 . . 3.430 3.036 2.276 3.530 0.100 10 0 "[ . 1 . 2]" 1
1277 1 105 GLU HA 1 105 GLU HG3 . . 3.440 2.677 2.205 3.513 0.073 18 0 "[ . 1 . 2]" 1
1278 1 105 GLU HA 1 106 LEU H . . 3.780 3.509 3.369 3.611 . 0 0 "[ . 1 . 2]" 1
1279 1 105 GLU HA 1 108 GLN H . . 4.320 3.723 3.244 4.033 . 0 0 "[ . 1 . 2]" 1
1280 1 105 GLU HA 1 108 GLN QB . . 4.090 4.064 3.731 4.188 0.098 8 0 "[ . 1 . 2]" 1
1281 1 105 GLU HA 1 108 GLN HE21 . . 4.950 3.643 2.325 5.026 0.076 1 0 "[ . 1 . 2]" 1
1282 1 105 GLU HA 1 108 GLN HE22 . . 4.990 3.171 2.173 5.061 0.071 12 0 "[ . 1 . 2]" 1
1283 1 105 GLU HB2 1 105 GLU HG2 . . 2.870 2.865 2.454 3.045 0.175 16 0 "[ . 1 . 2]" 1
1284 1 105 GLU HB2 1 105 GLU HG3 . . 3.000 2.578 2.220 3.026 0.026 12 0 "[ . 1 . 2]" 1
1285 1 105 GLU HB2 1 106 LEU H . . 4.320 3.781 2.664 4.363 0.043 1 0 "[ . 1 . 2]" 1
1286 1 105 GLU HB3 1 105 GLU HG2 . . 3.040 2.490 2.240 3.040 . 0 0 "[ . 1 . 2]" 1
1287 1 105 GLU HB3 1 105 GLU HG3 . . 3.020 2.876 2.500 3.044 0.024 13 0 "[ . 1 . 2]" 1
1288 1 105 GLU HB3 1 106 LEU H . . 3.790 3.048 2.576 4.008 0.218 19 0 "[ . 1 . 2]" 1
1289 1 105 GLU HG2 1 106 LEU H . . 4.710 4.499 3.892 5.394 0.684 6 1 "[ .+ 1 . 2]" 1
1290 1 106 LEU H 1 106 LEU QB . . 2.800 2.169 1.997 2.351 . 0 0 "[ . 1 . 2]" 1
1291 1 106 LEU H 1 106 LEU QD . . 4.410 3.551 2.497 3.841 . 0 0 "[ . 1 . 2]" 1
1292 1 106 LEU H 1 107 ASN H . . 3.410 2.760 2.446 3.088 . 0 0 "[ . 1 . 2]" 1
1293 1 106 LEU H 1 107 ASN HD21 . . 4.620 4.404 3.693 4.705 0.085 3 0 "[ . 1 . 2]" 1
1294 1 106 LEU HA 1 106 LEU QD . . 2.790 2.137 1.978 2.582 . 0 0 "[ . 1 . 2]" 1
1295 1 106 LEU HA 1 106 LEU HG . . 3.910 3.398 2.299 3.833 . 0 0 "[ . 1 . 2]" 1
1296 1 106 LEU HA 1 107 ASN H . . 3.510 3.390 3.275 3.558 0.048 6 0 "[ . 1 . 2]" 1
1297 1 106 LEU HA 1 108 GLN QB . . 4.050 4.108 3.862 4.154 0.104 7 0 "[ . 1 . 2]" 1
1298 1 106 LEU HA 1 109 LEU H . . 5.050 3.665 2.936 4.069 . 0 0 "[ . 1 . 2]" 1
1299 1 106 LEU HA 1 110 ASP H . . 5.280 4.702 3.735 5.353 0.073 8 0 "[ . 1 . 2]" 1
1300 1 106 LEU QB 1 107 ASN H . . 3.940 3.204 3.043 3.536 . 0 0 "[ . 1 . 2]" 1
1301 1 106 LEU QD 1 107 ASN H . . 4.620 4.038 3.534 4.368 . 0 0 "[ . 1 . 2]" 1
1302 1 107 ASN H 1 107 ASN HB2 . . 3.520 3.579 3.468 3.612 0.092 1 0 "[ . 1 . 2]" 1
1303 1 107 ASN H 1 107 ASN HB3 . . 3.460 2.588 2.373 3.111 . 0 0 "[ . 1 . 2]" 1
1304 1 107 ASN H 1 107 ASN HD21 . . 4.500 2.460 1.858 2.993 . 0 0 "[ . 1 . 2]" 1
1305 1 107 ASN H 1 107 ASN HD22 . . 5.430 3.635 3.136 4.191 . 0 0 "[ . 1 . 2]" 1
1306 1 107 ASN H 1 108 GLN H . . 3.730 2.440 2.297 2.644 . 0 0 "[ . 1 . 2]" 1
1307 1 107 ASN H 1 108 GLN HA . . 4.830 4.912 4.881 4.924 0.094 19 0 "[ . 1 . 2]" 1
1308 1 107 ASN H 1 109 LEU H . . 4.750 4.628 4.055 4.839 0.089 1 0 "[ . 1 . 2]" 1
1309 1 107 ASN HA 1 107 ASN HD21 . . 4.450 4.160 3.633 4.487 0.037 5 0 "[ . 1 . 2]" 1
1310 1 107 ASN HA 1 107 ASN HD22 . . 5.180 5.116 4.908 5.263 0.083 6 0 "[ . 1 . 2]" 1
1311 1 107 ASN HA 1 108 GLN H . . 3.340 3.408 3.254 3.431 0.091 9 0 "[ . 1 . 2]" 1
1312 1 107 ASN HA 1 109 LEU H . . 4.660 4.417 3.984 4.725 0.065 16 0 "[ . 1 . 2]" 1
1313 1 107 ASN HA 1 110 ASP H . . 4.640 3.568 3.081 3.947 . 0 0 "[ . 1 . 2]" 1
1314 1 107 ASN HA 1 110 ASP HB2 . . 3.790 3.474 2.650 3.873 0.083 15 0 "[ . 1 . 2]" 1
1315 1 107 ASN HA 1 110 ASP HB3 . . 3.620 2.459 2.081 3.034 . 0 0 "[ . 1 . 2]" 1
1316 1 107 ASN HA 1 111 THR H . . 4.850 3.690 3.437 3.972 . 0 0 "[ . 1 . 2]" 1
1317 1 107 ASN HB2 1 107 ASN HD22 . . 4.280 4.005 3.724 4.134 . 0 0 "[ . 1 . 2]" 1
1318 1 107 ASN HB2 1 108 GLN H . . 4.680 4.288 3.781 4.550 . 0 0 "[ . 1 . 2]" 1
1319 1 107 ASN HB3 1 107 ASN HD21 . . 3.510 2.767 2.216 3.698 0.188 3 0 "[ . 1 . 2]" 1
1320 1 107 ASN HB3 1 108 GLN H . . 4.280 4.212 3.846 4.442 0.162 17 0 "[ . 1 . 2]" 1
1321 1 107 ASN HD21 1 108 GLN HE22 . . 4.070 3.542 2.806 4.062 . 0 0 "[ . 1 . 2]" 1
1322 1 107 ASN HD22 1 108 GLN H . . 5.040 3.891 3.357 4.821 . 0 0 "[ . 1 . 2]" 1
1323 1 107 ASN HD22 1 108 GLN HE21 . . 3.780 3.182 2.172 3.858 0.078 4 0 "[ . 1 . 2]" 1
1324 1 107 ASN HD22 1 108 GLN HE22 . . 2.730 2.551 2.068 3.479 0.749 3 1 "[ + . 1 . 2]" 1
1325 1 108 GLN H 1 108 GLN QB . . 3.310 2.211 2.016 2.431 . 0 0 "[ . 1 . 2]" 1
1326 1 108 GLN H 1 108 GLN HE21 . . 5.090 3.886 2.616 4.761 . 0 0 "[ . 1 . 2]" 1
1327 1 108 GLN H 1 108 GLN HE22 . . 5.500 4.359 3.735 5.170 . 0 0 "[ . 1 . 2]" 1
1328 1 108 GLN H 1 108 GLN HG2 . . 4.330 4.015 2.586 4.412 0.082 17 0 "[ . 1 . 2]" 1
1329 1 108 GLN H 1 108 GLN HG3 . . 4.030 3.998 3.392 4.371 0.341 16 0 "[ . 1 . 2]" 1
1330 1 108 GLN H 1 109 LEU H . . 3.420 2.739 2.406 2.933 . 0 0 "[ . 1 . 2]" 1
1331 1 108 GLN H 1 111 THR H . . 4.780 4.607 4.417 4.763 . 0 0 "[ . 1 . 2]" 1
1332 1 108 GLN HA 1 108 GLN HE21 . . 4.860 3.707 2.079 4.781 . 0 0 "[ . 1 . 2]" 1
1333 1 108 GLN HA 1 108 GLN HE22 . . 5.250 4.487 3.326 5.323 0.073 5 0 "[ . 1 . 2]" 1
1334 1 108 GLN HA 1 108 GLN HG2 . . 3.560 3.524 3.254 3.640 0.080 14 0 "[ . 1 . 2]" 1
1335 1 108 GLN HA 1 108 GLN HG3 . . 3.350 2.515 2.150 3.640 0.290 3 0 "[ . 1 . 2]" 1
1336 1 108 GLN HA 1 109 LEU H . . 4.490 3.621 3.531 3.712 . 0 0 "[ . 1 . 2]" 1
1337 1 108 GLN HA 1 111 THR H . . 4.060 3.696 3.275 4.102 0.042 16 0 "[ . 1 . 2]" 1
1338 1 108 GLN HA 1 111 THR HB . . 3.370 2.882 2.587 3.462 0.092 17 0 "[ . 1 . 2]" 1
1339 1 108 GLN HA 1 111 THR MG . . 3.670 3.693 2.286 3.782 0.112 7 0 "[ . 1 . 2]" 1
1340 1 108 GLN QB 1 108 GLN HG2 . . 2.790 2.157 2.083 2.286 . 0 0 "[ . 1 . 2]" 1
1341 1 108 GLN QB 1 109 LEU H . . 3.500 2.622 2.361 2.864 . 0 0 "[ . 1 . 2]" 1
1342 1 108 GLN QB 1 111 THR H . . 5.160 5.003 4.798 5.168 0.008 5 0 "[ . 1 . 2]" 1
1343 1 108 GLN HE22 1 108 GLN HG2 . . 4.300 3.768 3.455 4.115 . 0 0 "[ . 1 . 2]" 1
1344 1 108 GLN HG3 1 109 LEU H . . 4.960 5.013 4.871 5.377 0.417 3 0 "[ . 1 . 2]" 1
1345 1 109 LEU H 1 109 LEU HB2 . . 3.540 2.568 2.131 2.908 . 0 0 "[ . 1 . 2]" 1
1346 1 109 LEU H 1 109 LEU HB3 . . 3.530 2.591 2.233 3.583 0.053 10 0 "[ . 1 . 2]" 1
1347 1 109 LEU H 1 109 LEU QD . . 4.100 3.782 3.626 3.851 . 0 0 "[ . 1 . 2]" 1
1348 1 109 LEU H 1 109 LEU HG . . 4.190 4.129 3.242 4.276 0.086 16 0 "[ . 1 . 2]" 1
1349 1 109 LEU H 1 110 ASP H . . 3.520 2.505 2.311 2.636 . 0 0 "[ . 1 . 2]" 1
1350 1 109 LEU H 1 110 ASP HB2 . . 5.110 4.871 4.433 5.193 0.083 6 0 "[ . 1 . 2]" 1
1351 1 109 LEU H 1 110 ASP HB3 . . 4.550 4.556 3.982 5.174 0.624 16 2 "[ . 1 .+ -2]" 1
1352 1 109 LEU H 1 111 THR H . . 4.040 4.107 3.991 4.127 0.087 15 0 "[ . 1 . 2]" 1
1353 1 109 LEU HA 1 109 LEU HB3 . . 2.920 2.981 2.627 3.053 0.133 5 0 "[ . 1 . 2]" 1
1354 1 109 LEU HA 1 109 LEU QD . . 3.140 2.359 2.183 2.592 . 0 0 "[ . 1 . 2]" 1
1355 1 109 LEU HA 1 109 LEU HG . . 3.890 3.012 2.354 3.399 . 0 0 "[ . 1 . 2]" 1
1356 1 109 LEU HA 1 110 ASP H . . 4.440 3.595 3.543 3.666 . 0 0 "[ . 1 . 2]" 1
1357 1 109 LEU HA 1 112 THR H . . 3.800 3.386 3.038 3.627 . 0 0 "[ . 1 . 2]" 1
1358 1 109 LEU HA 1 112 THR HB . . 3.360 2.330 2.071 3.140 . 0 0 "[ . 1 . 2]" 1
1359 1 109 LEU HA 1 112 THR MG . . 3.190 3.277 3.157 3.302 0.112 9 0 "[ . 1 . 2]" 1
1360 1 109 LEU HA 1 113 VAL H . . 4.440 3.680 3.161 4.012 . 0 0 "[ . 1 . 2]" 1
1361 1 109 LEU HA 1 113 VAL QG . . 4.030 3.544 2.721 4.099 0.069 19 0 "[ . 1 . 2]" 1
1362 1 109 LEU HB2 1 109 LEU QD . . 3.170 2.208 2.161 2.288 . 0 0 "[ . 1 . 2]" 1
1363 1 109 LEU HB2 1 110 ASP H . . 3.980 3.720 2.961 4.169 0.189 11 0 "[ . 1 . 2]" 1
1364 1 109 LEU HB3 1 109 LEU QD . . 3.150 2.227 2.147 2.291 . 0 0 "[ . 1 . 2]" 1
1365 1 109 LEU HB3 1 110 ASP H . . 4.120 2.711 2.341 3.568 . 0 0 "[ . 1 . 2]" 1
1366 1 109 LEU QD 1 110 ASP H . . 5.170 3.867 3.563 4.398 . 0 0 "[ . 1 . 2]" 1
1367 1 109 LEU QD 1 112 THR H . . 5.250 4.587 4.197 4.911 . 0 0 "[ . 1 . 2]" 1
1368 1 109 LEU QD 1 112 THR HB . . 4.080 3.300 2.382 3.931 . 0 0 "[ . 1 . 2]" 1
1369 1 109 LEU QD 1 112 THR MG . . 3.500 3.027 2.727 3.358 . 0 0 "[ . 1 . 2]" 1
1370 1 109 LEU QD 1 113 VAL H . . 5.350 3.484 3.080 3.861 . 0 0 "[ . 1 . 2]" 1
1371 1 109 LEU QD 1 113 VAL QG . . 3.510 2.150 1.854 3.056 . 0 0 "[ . 1 . 2]" 1
1372 1 109 LEU HG 1 110 ASP H . . 5.090 4.001 3.206 5.063 . 0 0 "[ . 1 . 2]" 1
1373 1 109 LEU HG 1 112 THR HB . . 5.150 4.706 4.183 5.222 0.072 10 0 "[ . 1 . 2]" 1
1374 1 110 ASP H 1 110 ASP HB2 . . 3.480 2.517 2.107 2.772 . 0 0 "[ . 1 . 2]" 1
1375 1 110 ASP H 1 110 ASP HB3 . . 3.480 2.509 2.014 2.947 . 0 0 "[ . 1 . 2]" 1
1376 1 110 ASP H 1 111 THR H . . 3.500 2.898 2.723 3.043 . 0 0 "[ . 1 . 2]" 1
1377 1 110 ASP HA 1 111 THR H . . 4.270 3.564 3.430 3.662 . 0 0 "[ . 1 . 2]" 1
1378 1 110 ASP HA 1 113 VAL H . . 4.240 3.905 3.263 4.305 0.065 9 0 "[ . 1 . 2]" 1
1379 1 110 ASP HA 1 113 VAL HB . . 3.890 3.490 2.823 4.000 0.110 6 0 "[ . 1 . 2]" 1
1380 1 110 ASP HA 1 113 VAL QG . . 5.500 3.354 1.845 4.170 . 0 0 "[ . 1 . 2]" 1
1381 1 110 ASP HB3 1 111 THR H . . 3.500 2.517 2.168 2.842 . 0 0 "[ . 1 . 2]" 1
1382 1 111 THR H 1 111 THR HB . . 3.280 2.215 2.002 2.367 . 0 0 "[ . 1 . 2]" 1
1383 1 111 THR H 1 111 THR MG . . 4.200 3.615 2.886 3.728 . 0 0 "[ . 1 . 2]" 1
1384 1 111 THR H 1 112 THR H . . 3.530 2.718 2.390 3.019 . 0 0 "[ . 1 . 2]" 1
1385 1 111 THR HA 1 111 THR MG . . 3.210 2.700 2.493 3.215 0.005 17 0 "[ . 1 . 2]" 1
1386 1 111 THR HA 1 112 THR H . . 4.440 3.607 3.529 3.676 . 0 0 "[ . 1 . 2]" 1
1387 1 111 THR HA 1 114 LYS H . . 4.240 3.569 3.104 3.843 . 0 0 "[ . 1 . 2]" 1
1388 1 111 THR HA 1 114 LYS QB . . 3.850 2.518 2.060 3.022 . 0 0 "[ . 1 . 2]" 1
1389 1 111 THR HA 1 114 LYS QG . . 3.760 3.612 2.609 3.747 . 0 0 "[ . 1 . 2]" 1
1390 1 111 THR HA 1 115 SER H . . 4.450 3.878 3.517 4.238 . 0 0 "[ . 1 . 2]" 1
1391 1 111 THR HB 1 112 THR H . . 4.950 2.670 2.300 3.783 . 0 0 "[ . 1 . 2]" 1
1392 1 111 THR HB 1 114 LYS H . . 5.500 5.576 5.544 5.594 0.094 11 0 "[ . 1 . 2]" 1
1393 1 111 THR MG 1 112 THR H . . 4.190 3.159 2.586 3.509 . 0 0 "[ . 1 . 2]" 1
1394 1 111 THR MG 1 112 THR HA . . 3.990 3.411 3.130 3.771 . 0 0 "[ . 1 . 2]" 1
1395 1 111 THR MG 1 112 THR HB . . 4.680 4.689 4.049 4.782 0.102 15 0 "[ . 1 . 2]" 1
1396 1 112 THR H 1 112 THR HB . . 3.180 2.147 2.028 2.504 . 0 0 "[ . 1 . 2]" 1
1397 1 112 THR H 1 112 THR MG . . 3.830 3.612 3.429 3.765 . 0 0 "[ . 1 . 2]" 1
1398 1 112 THR H 1 113 VAL H . . 3.730 2.849 2.689 3.026 . 0 0 "[ . 1 . 2]" 1
1399 1 112 THR H 1 113 VAL QG . . 5.500 4.175 3.842 4.416 . 0 0 "[ . 1 . 2]" 1
1400 1 112 THR H 1 114 LYS H . . 4.250 4.145 3.937 4.292 0.042 10 0 "[ . 1 . 2]" 1
1401 1 112 THR HA 1 112 THR HB . . 2.980 3.009 2.915 3.038 0.058 16 0 "[ . 1 . 2]" 1
1402 1 112 THR HA 1 112 THR MG . . 3.120 2.723 2.530 2.994 . 0 0 "[ . 1 . 2]" 1
1403 1 112 THR HA 1 113 VAL H . . 4.560 3.633 3.604 3.666 . 0 0 "[ . 1 . 2]" 1
1404 1 112 THR HA 1 115 SER H . . 4.240 3.568 3.228 4.010 . 0 0 "[ . 1 . 2]" 1
1405 1 112 THR HA 1 115 SER HB3 . . 3.790 3.555 2.580 4.667 0.877 11 5 "[ . * 1+ .* -*2]" 1
1406 1 112 THR HA 1 116 GLN H . . 4.850 4.130 3.855 4.481 . 0 0 "[ . 1 . 2]" 1
1407 1 112 THR HB 1 113 VAL H . . 3.810 2.597 2.205 3.313 . 0 0 "[ . 1 . 2]" 1
1408 1 112 THR HB 1 113 VAL QG . . 4.510 3.430 2.932 4.055 . 0 0 "[ . 1 . 2]" 1
1409 1 112 THR MG 1 113 VAL H . . 4.270 2.894 2.512 3.193 . 0 0 "[ . 1 . 2]" 1
1410 1 112 THR MG 1 113 VAL QG . . 3.760 2.930 2.408 3.719 . 0 0 "[ . 1 . 2]" 1
1411 1 112 THR MG 1 116 GLN QE . . 4.850 3.337 2.232 4.041 . 0 0 "[ . 1 . 2]" 1
1412 1 113 VAL H 1 113 VAL HB . . 3.440 2.486 2.212 3.482 0.042 6 0 "[ . 1 . 2]" 1
1413 1 113 VAL H 1 113 VAL QG . . 3.810 2.094 1.937 2.253 . 0 0 "[ . 1 . 2]" 1
1414 1 113 VAL H 1 114 LYS H . . 3.460 2.735 2.580 2.928 . 0 0 "[ . 1 . 2]" 1
1415 1 113 VAL H 1 115 SER H . . 4.750 4.144 3.991 4.443 . 0 0 "[ . 1 . 2]" 1
1416 1 113 VAL HA 1 113 VAL QG . . 3.160 2.203 2.043 2.514 . 0 0 "[ . 1 . 2]" 1
1417 1 113 VAL HA 1 114 LYS H . . 4.490 3.614 3.463 3.686 . 0 0 "[ . 1 . 2]" 1
1418 1 113 VAL HA 1 116 GLN H . . 4.340 3.450 3.206 3.666 . 0 0 "[ . 1 . 2]" 1
1419 1 113 VAL HA 1 116 GLN HB3 . . 3.880 4.180 3.592 4.650 0.770 6 3 "[ *.+ 1- . 2]" 1
1420 1 113 VAL HA 1 116 GLN QE . . 4.880 4.050 2.427 4.802 . 0 0 "[ . 1 . 2]" 1
1421 1 113 VAL HA 1 116 GLN HG2 . . 3.760 3.349 2.072 3.850 0.090 9 0 "[ . 1 . 2]" 1
1422 1 113 VAL HA 1 116 GLN HG3 . . 3.760 3.011 2.245 3.834 0.074 12 0 "[ . 1 . 2]" 1
1423 1 113 VAL HA 1 117 ILE H . . 4.750 3.776 3.554 4.079 . 0 0 "[ . 1 . 2]" 1
1424 1 113 VAL HB 1 114 LYS H . . 3.750 2.875 2.443 3.843 0.093 12 0 "[ . 1 . 2]" 1
1425 1 113 VAL QG 1 114 LYS H . . 4.540 3.024 2.175 3.375 . 0 0 "[ . 1 . 2]" 1
1426 1 113 VAL QG 1 114 LYS HA . . 3.610 3.410 3.054 3.623 0.013 10 0 "[ . 1 . 2]" 1
1427 1 113 VAL QG 1 115 SER H . . 5.260 4.548 4.220 4.685 . 0 0 "[ . 1 . 2]" 1
1428 1 113 VAL QG 1 117 ILE MG . . 4.550 2.461 1.925 3.595 . 0 0 "[ . 1 . 2]" 1
1429 1 114 LYS H 1 114 LYS QB . . 3.700 2.290 2.030 2.533 . 0 0 "[ . 1 . 2]" 1
1430 1 114 LYS H 1 114 LYS QD . . 4.800 4.420 4.048 4.716 . 0 0 "[ . 1 . 2]" 1
1431 1 114 LYS H 1 114 LYS QE . . 5.370 4.300 3.420 5.027 . 0 0 "[ . 1 . 2]" 1
1432 1 114 LYS H 1 114 LYS QG . . 4.480 3.012 2.294 3.989 . 0 0 "[ . 1 . 2]" 1
1433 1 114 LYS H 1 115 SER H . . 3.650 2.779 2.648 2.944 . 0 0 "[ . 1 . 2]" 1
1434 1 114 LYS HA 1 114 LYS QD . . 3.740 3.322 2.609 3.830 0.090 17 0 "[ . 1 . 2]" 1
1435 1 114 LYS HA 1 114 LYS QE . . 4.370 4.049 1.903 4.448 0.078 5 0 "[ . 1 . 2]" 1
1436 1 114 LYS HA 1 115 SER H . . 4.490 3.598 3.532 3.670 . 0 0 "[ . 1 . 2]" 1
1437 1 114 LYS HA 1 117 ILE H . . 4.510 3.596 3.402 3.753 . 0 0 "[ . 1 . 2]" 1
1438 1 114 LYS HA 1 117 ILE HB . . 4.540 4.628 4.575 4.641 0.101 5 0 "[ . 1 . 2]" 1
1439 1 114 LYS HA 1 117 ILE MD . . 4.070 2.468 2.096 2.910 . 0 0 "[ . 1 . 2]" 1
1440 1 114 LYS HA 1 117 ILE HG12 . . 3.630 2.168 1.913 2.544 . 0 0 "[ . 1 . 2]" 1
1441 1 114 LYS HA 1 117 ILE HG13 . . 3.760 2.409 1.967 3.145 . 0 0 "[ . 1 . 2]" 1
1442 1 114 LYS HA 1 117 ILE MG . . 4.340 3.939 3.678 4.215 . 0 0 "[ . 1 . 2]" 1
1443 1 114 LYS HA 1 118 ILE H . . 4.850 3.533 3.155 3.773 . 0 0 "[ . 1 . 2]" 1
1444 1 114 LYS HA 1 118 ILE HG13 . . 4.660 3.411 2.891 3.786 . 0 0 "[ . 1 . 2]" 1
1445 1 114 LYS QB 1 114 LYS QD . . 2.400 2.340 2.178 2.425 0.025 11 0 "[ . 1 . 2]" 1
1446 1 114 LYS QB 1 114 LYS QE . . 2.400 2.152 1.861 2.419 0.019 3 0 "[ . 1 . 2]" 1
1447 1 114 LYS QB 1 115 SER H . . 4.220 2.857 2.416 3.108 . 0 0 "[ . 1 . 2]" 1
1448 1 114 LYS QD 1 114 LYS QE . . 2.400 2.067 2.014 2.129 . 0 0 "[ . 1 . 2]" 1
1449 1 114 LYS QD 1 114 LYS QG . . 2.420 2.017 1.976 2.050 . 0 0 "[ . 1 . 2]" 1
1450 1 114 LYS QE 1 114 LYS QG . . 2.740 2.498 2.087 2.721 . 0 0 "[ . 1 . 2]" 1
1451 1 115 SER H 1 115 SER HB2 . . 3.400 2.501 2.216 3.487 0.087 4 0 "[ . 1 . 2]" 1
1452 1 115 SER H 1 115 SER HB3 . . 3.410 2.871 2.315 3.490 0.080 18 0 "[ . 1 . 2]" 1
1453 1 115 SER H 1 116 GLN H . . 3.820 2.721 2.528 2.917 . 0 0 "[ . 1 . 2]" 1
1454 1 115 SER H 1 117 ILE H . . 4.810 4.308 4.098 4.521 . 0 0 "[ . 1 . 2]" 1
1455 1 115 SER HA 1 115 SER HB2 . . 2.860 2.665 2.288 3.012 0.152 18 0 "[ . 1 . 2]" 1
1456 1 115 SER HA 1 115 SER HB3 . . 2.930 2.762 2.468 3.017 0.087 6 0 "[ . 1 . 2]" 1
1457 1 115 SER HA 1 116 GLN H . . 4.320 3.612 3.556 3.682 . 0 0 "[ . 1 . 2]" 1
1458 1 115 SER HA 1 118 ILE H . . 4.240 3.888 3.715 4.112 . 0 0 "[ . 1 . 2]" 1
1459 1 115 SER HA 1 118 ILE HB . . 4.000 3.244 2.930 3.580 . 0 0 "[ . 1 . 2]" 1
1460 1 115 SER HA 1 118 ILE MD . . 3.950 3.434 2.832 4.052 0.102 6 0 "[ . 1 . 2]" 1
1461 1 115 SER HA 1 119 ARG H . . 4.900 4.080 3.752 4.548 . 0 0 "[ . 1 . 2]" 1
1462 1 115 SER HB2 1 116 GLN H . . 4.860 3.279 2.393 3.996 . 0 0 "[ . 1 . 2]" 1
1463 1 116 GLN H 1 116 GLN HB2 . . 3.890 2.865 2.369 3.625 . 0 0 "[ . 1 . 2]" 1
1464 1 116 GLN H 1 116 GLN HB3 . . 3.460 3.177 2.168 3.614 0.154 9 0 "[ . 1 . 2]" 1
1465 1 116 GLN H 1 116 GLN QE . . 4.970 4.559 3.105 4.815 . 0 0 "[ . 1 . 2]" 1
1466 1 116 GLN H 1 116 GLN HG2 . . 4.060 2.276 2.023 2.842 . 0 0 "[ . 1 . 2]" 1
1467 1 116 GLN H 1 117 ILE H . . 3.800 2.854 2.638 3.008 . 0 0 "[ . 1 . 2]" 1
1468 1 116 GLN H 1 117 ILE HA . . 5.500 5.400 5.230 5.540 0.040 4 0 "[ . 1 . 2]" 1
1469 1 116 GLN HA 1 116 GLN QE . . 5.210 4.513 4.030 4.823 . 0 0 "[ . 1 . 2]" 1
1470 1 116 GLN HA 1 116 GLN HG2 . . 3.710 3.030 2.641 3.778 0.068 12 0 "[ . 1 . 2]" 1
1471 1 116 GLN HA 1 116 GLN HG3 . . 3.550 3.752 3.633 3.797 0.247 4 0 "[ . 1 . 2]" 1
1472 1 116 GLN HA 1 117 ILE H . . 4.670 3.591 3.558 3.654 . 0 0 "[ . 1 . 2]" 1
1473 1 116 GLN HA 1 119 ARG H . . 4.240 4.054 3.803 4.314 0.074 18 0 "[ . 1 . 2]" 1
1474 1 116 GLN HA 1 120 GLU H . . 4.850 4.474 3.987 4.908 0.058 14 0 "[ . 1 . 2]" 1
1475 1 116 GLN HB2 1 116 GLN QE . . 4.080 3.406 2.326 3.997 . 0 0 "[ . 1 . 2]" 1
1476 1 116 GLN HB2 1 117 ILE MG . . 4.660 3.558 2.711 4.746 0.086 7 0 "[ . 1 . 2]" 1
1477 1 116 GLN HB3 1 116 GLN QE . . 4.150 3.066 2.028 3.715 . 0 0 "[ . 1 . 2]" 1
1478 1 116 GLN HB3 1 117 ILE H . . 4.190 3.560 3.185 3.936 . 0 0 "[ . 1 . 2]" 1
1479 1 116 GLN HG2 1 117 ILE H . . 5.500 3.755 2.211 4.628 . 0 0 "[ . 1 . 2]" 1
1480 1 117 ILE H 1 117 ILE HB . . 3.990 3.631 3.594 3.682 . 0 0 "[ . 1 . 2]" 1
1481 1 117 ILE H 1 117 ILE MD . . 4.970 3.881 3.536 4.107 . 0 0 "[ . 1 . 2]" 1
1482 1 117 ILE H 1 117 ILE HG12 . . 4.430 2.629 2.222 3.005 . 0 0 "[ . 1 . 2]" 1
1483 1 117 ILE H 1 117 ILE HG13 . . 4.180 2.884 2.286 3.638 . 0 0 "[ . 1 . 2]" 1
1484 1 117 ILE H 1 117 ILE MG . . 4.120 2.361 2.165 2.606 . 0 0 "[ . 1 . 2]" 1
1485 1 117 ILE H 1 118 ILE H . . 3.830 2.894 2.774 3.066 . 0 0 "[ . 1 . 2]" 1
1486 1 117 ILE H 1 119 ARG H . . 4.750 4.393 4.283 4.537 . 0 0 "[ . 1 . 2]" 1
1487 1 117 ILE HA 1 117 ILE MD . . 4.080 4.094 3.897 4.179 0.099 15 0 "[ . 1 . 2]" 1
1488 1 117 ILE HA 1 117 ILE HG12 . . 4.260 3.979 3.661 4.234 . 0 0 "[ . 1 . 2]" 1
1489 1 117 ILE HA 1 117 ILE MG . . 3.670 2.269 2.172 2.418 . 0 0 "[ . 1 . 2]" 1
1490 1 117 ILE HA 1 118 ILE H . . 4.490 3.659 3.599 3.702 . 0 0 "[ . 1 . 2]" 1
1491 1 117 ILE HA 1 120 GLU H . . 4.240 3.389 3.165 3.548 . 0 0 "[ . 1 . 2]" 1
1492 1 117 ILE HA 1 120 GLU HB2 . . 3.790 2.879 2.303 3.854 0.064 4 0 "[ . 1 . 2]" 1
1493 1 117 ILE HA 1 120 GLU QG . . 3.760 3.575 3.140 3.763 0.003 20 0 "[ . 1 . 2]" 1
1494 1 117 ILE HA 1 121 MET H . . 4.220 3.865 3.527 4.110 . 0 0 "[ . 1 . 2]" 1
1495 1 117 ILE HB 1 117 ILE MD . . 2.720 2.236 2.114 2.477 . 0 0 "[ . 1 . 2]" 1
1496 1 117 ILE HB 1 118 ILE H . . 4.640 3.727 3.436 3.986 . 0 0 "[ . 1 . 2]" 1
1497 1 117 ILE MD 1 117 ILE MG . . 3.460 2.394 2.045 2.842 . 0 0 "[ . 1 . 2]" 1
1498 1 117 ILE HG12 1 118 ILE H . . 4.690 3.330 2.322 3.938 . 0 0 "[ . 1 . 2]" 1
1499 1 117 ILE HG13 1 118 ILE H . . 4.870 2.199 1.912 2.858 . 0 0 "[ . 1 . 2]" 1
1500 1 117 ILE HG13 1 118 ILE HA . . 5.500 3.834 3.296 4.227 . 0 0 "[ . 1 . 2]" 1
1501 1 118 ILE H 1 118 ILE HB . . 3.490 2.381 2.280 2.510 . 0 0 "[ . 1 . 2]" 1
1502 1 118 ILE H 1 118 ILE HG12 . . 3.890 3.710 3.472 3.855 . 0 0 "[ . 1 . 2]" 1
1503 1 118 ILE H 1 118 ILE HG13 . . 3.940 2.388 2.212 2.574 . 0 0 "[ . 1 . 2]" 1
1504 1 118 ILE H 1 118 ILE MG . . 4.720 3.767 3.721 3.832 . 0 0 "[ . 1 . 2]" 1
1505 1 118 ILE H 1 119 ARG H . . 3.820 2.763 2.613 2.898 . 0 0 "[ . 1 . 2]" 1
1506 1 118 ILE HA 1 118 ILE MD . . 4.100 3.908 3.830 4.042 . 0 0 "[ . 1 . 2]" 1
1507 1 118 ILE HA 1 118 ILE HG12 . . 3.610 2.619 2.463 2.848 . 0 0 "[ . 1 . 2]" 1
1508 1 118 ILE HA 1 118 ILE HG13 . . 3.500 2.816 2.611 3.004 . 0 0 "[ . 1 . 2]" 1
1509 1 118 ILE HA 1 119 ARG H . . 4.360 3.608 3.573 3.634 . 0 0 "[ . 1 . 2]" 1
1510 1 118 ILE HA 1 121 MET H . . 4.240 3.207 2.995 3.458 . 0 0 "[ . 1 . 2]" 1
1511 1 118 ILE HA 1 121 MET HB2 . . 3.790 2.254 2.100 2.331 . 0 0 "[ . 1 . 2]" 1
1512 1 118 ILE HA 1 121 MET HB3 . . 3.790 3.809 3.580 3.870 0.080 1 0 "[ . 1 . 2]" 1
1513 1 118 ILE HA 1 121 MET ME . . 2.970 2.833 2.324 3.057 0.087 8 0 "[ . 1 . 2]" 1
1514 1 118 ILE HA 1 121 MET QG . . 4.060 3.012 2.359 3.930 . 0 0 "[ . 1 . 2]" 1
1515 1 118 ILE HA 1 122 CYS H . . 4.310 4.059 3.738 4.379 0.069 10 0 "[ . 1 . 2]" 1
1516 1 118 ILE HB 1 118 ILE MD . . 3.380 2.378 2.303 2.485 . 0 0 "[ . 1 . 2]" 1
1517 1 118 ILE HB 1 119 ARG H . . 3.320 2.754 2.511 2.954 . 0 0 "[ . 1 . 2]" 1
1518 1 118 ILE HB 1 119 ARG HA . . 4.550 4.576 4.219 4.627 0.077 3 0 "[ . 1 . 2]" 1
1519 1 118 ILE MD 1 118 ILE MG . . 3.380 2.091 2.001 2.172 . 0 0 "[ . 1 . 2]" 1
1520 1 118 ILE MD 1 119 ARG H . . 5.070 4.691 4.404 4.889 . 0 0 "[ . 1 . 2]" 1
1521 1 118 ILE HG12 1 118 ILE MG . . 3.750 2.320 2.198 2.403 . 0 0 "[ . 1 . 2]" 1
1522 1 118 ILE MG 1 119 ARG H . . 4.640 3.335 3.114 3.594 . 0 0 "[ . 1 . 2]" 1
1523 1 118 ILE MG 1 122 CYS H . . 5.110 4.178 3.701 4.698 . 0 0 "[ . 1 . 2]" 1
1524 1 119 ARG H 1 119 ARG QB . . 3.500 2.164 2.093 2.218 . 0 0 "[ . 1 . 2]" 1
1525 1 119 ARG H 1 119 ARG HD2 . . 5.360 4.328 3.651 5.079 . 0 0 "[ . 1 . 2]" 1
1526 1 119 ARG H 1 119 ARG HD3 . . 5.500 5.043 4.745 5.392 . 0 0 "[ . 1 . 2]" 1
1527 1 119 ARG H 1 119 ARG HG2 . . 5.080 4.484 4.078 4.594 . 0 0 "[ . 1 . 2]" 1
1528 1 119 ARG H 1 119 ARG HG3 . . 5.400 4.479 3.344 4.646 . 0 0 "[ . 1 . 2]" 1
1529 1 119 ARG H 1 120 GLU H . . 3.760 2.827 2.664 2.984 . 0 0 "[ . 1 . 2]" 1
1530 1 119 ARG H 1 122 CYS H . . 4.970 4.888 4.726 5.011 0.041 5 0 "[ . 1 . 2]" 1
1531 1 119 ARG HA 1 119 ARG HD2 . . 4.060 4.088 3.925 4.245 0.185 16 0 "[ . 1 . 2]" 1
1532 1 119 ARG HA 1 119 ARG HD3 . . 4.160 3.767 3.016 4.238 0.078 2 0 "[ . 1 . 2]" 1
1533 1 119 ARG HA 1 119 ARG HE . . 5.500 5.340 4.847 5.576 0.076 6 0 "[ . 1 . 2]" 1
1534 1 119 ARG HA 1 119 ARG HG2 . . 3.760 2.732 2.324 4.164 0.404 12 0 "[ . 1 . 2]" 1
1535 1 119 ARG HA 1 120 GLU H . . 4.570 3.616 3.555 3.741 . 0 0 "[ . 1 . 2]" 1
1536 1 119 ARG HA 1 122 CYS H . . 4.240 3.714 3.371 3.981 . 0 0 "[ . 1 . 2]" 1
1537 1 119 ARG QB 1 119 ARG HD2 . . 3.630 2.299 2.124 3.427 . 0 0 "[ . 1 . 2]" 1
1538 1 119 ARG QB 1 119 ARG HD3 . . 3.610 3.156 2.580 3.362 . 0 0 "[ . 1 . 2]" 1
1539 1 119 ARG QB 1 119 ARG HE . . 4.880 3.853 3.304 4.340 . 0 0 "[ . 1 . 2]" 1
1540 1 119 ARG QB 1 120 GLU H . . 3.580 2.771 2.427 3.469 . 0 0 "[ . 1 . 2]" 1
1541 1 119 ARG HD2 1 120 GLU H . . 5.050 3.069 2.495 3.809 . 0 0 "[ . 1 . 2]" 1
1542 1 119 ARG HD2 1 120 GLU HB2 . . 4.790 4.360 3.082 4.864 0.074 18 0 "[ . 1 . 2]" 1
1543 1 119 ARG HD2 1 123 ILE MD . . 4.490 3.228 1.944 3.871 . 0 0 "[ . 1 . 2]" 1
1544 1 119 ARG HD3 1 120 GLU HB2 . . 5.500 5.007 3.676 5.594 0.094 12 0 "[ . 1 . 2]" 1
1545 1 119 ARG HD3 1 123 ILE MD . . 4.290 2.036 1.912 2.338 . 0 0 "[ . 1 . 2]" 1
1546 1 119 ARG HE 1 123 ILE MD . . 4.990 3.199 2.166 4.255 . 0 0 "[ . 1 . 2]" 1
1547 1 119 ARG HG2 1 123 ILE MD . . 3.320 3.248 2.269 4.162 0.842 12 1 "[ . 1 + . 2]" 1
1548 1 119 ARG HG3 1 123 ILE MD . . 4.170 4.104 3.433 4.264 0.094 4 0 "[ . 1 . 2]" 1
1549 1 120 GLU H 1 120 GLU HB2 . . 3.470 2.315 2.045 2.564 . 0 0 "[ . 1 . 2]" 1
1550 1 120 GLU H 1 120 GLU QG . . 4.110 2.801 2.237 3.738 . 0 0 "[ . 1 . 2]" 1
1551 1 120 GLU H 1 121 MET H . . 3.840 2.669 2.471 2.852 . 0 0 "[ . 1 . 2]" 1
1552 1 120 GLU H 1 122 CYS H . . 4.780 4.103 3.895 4.292 . 0 0 "[ . 1 . 2]" 1
1553 1 120 GLU H 1 123 ILE MD . . 5.250 4.417 4.004 5.147 . 0 0 "[ . 1 . 2]" 1
1554 1 120 GLU HA 1 121 MET H . . 4.490 3.592 3.526 3.695 . 0 0 "[ . 1 . 2]" 1
1555 1 120 GLU HA 1 123 ILE H . . 4.170 3.195 2.863 3.406 . 0 0 "[ . 1 . 2]" 1
1556 1 120 GLU HA 1 123 ILE HB . . 3.790 2.481 2.269 2.709 . 0 0 "[ . 1 . 2]" 1
1557 1 120 GLU HA 1 123 ILE MD . . 3.510 2.569 2.168 3.626 0.116 6 0 "[ . 1 . 2]" 1
1558 1 120 GLU HA 1 123 ILE HG12 . . 5.020 4.703 2.001 5.103 0.083 9 0 "[ . 1 . 2]" 1
1559 1 120 GLU HA 1 123 ILE MG . . 4.010 3.819 3.390 4.079 0.069 1 0 "[ . 1 . 2]" 1
1560 1 120 GLU HB2 1 121 MET H . . 3.860 2.976 2.540 3.942 0.082 4 0 "[ . 1 . 2]" 1
1561 1 120 GLU HB3 1 121 MET H . . 3.910 3.251 2.315 3.856 . 0 0 "[ . 1 . 2]" 1
1562 1 120 GLU HB3 1 122 CYS H . . 5.020 5.072 4.839 5.113 0.093 19 0 "[ . 1 . 2]" 1
1563 1 120 GLU HB3 1 124 THR MG . . 5.440 5.447 4.798 5.555 0.115 18 0 "[ . 1 . 2]" 1
1564 1 121 MET H 1 121 MET HB2 . . 3.800 2.412 2.158 2.622 . 0 0 "[ . 1 . 2]" 1
1565 1 121 MET H 1 121 MET HB3 . . 3.540 3.552 3.418 3.632 0.092 4 0 "[ . 1 . 2]" 1
1566 1 121 MET H 1 121 MET ME . . 4.920 4.394 4.098 4.602 . 0 0 "[ . 1 . 2]" 1
1567 1 121 MET H 1 121 MET QG . . 4.020 2.449 2.209 2.769 . 0 0 "[ . 1 . 2]" 1
1568 1 121 MET H 1 122 CYS H . . 3.540 2.649 2.504 2.904 . 0 0 "[ . 1 . 2]" 1
1569 1 121 MET H 1 123 ILE H . . 4.950 4.305 4.142 4.532 . 0 0 "[ . 1 . 2]" 1
1570 1 121 MET HA 1 121 MET ME . . 4.450 4.301 4.155 4.528 0.078 15 0 "[ . 1 . 2]" 1
1571 1 121 MET HA 1 121 MET QG . . 3.380 2.300 2.116 2.499 . 0 0 "[ . 1 . 2]" 1
1572 1 121 MET HA 1 122 CYS H . . 4.260 3.504 3.446 3.611 . 0 0 "[ . 1 . 2]" 1
1573 1 121 MET HA 1 124 THR H . . 3.930 3.523 3.097 3.801 . 0 0 "[ . 1 . 2]" 1
1574 1 121 MET HA 1 124 THR HB . . 3.300 2.679 2.225 3.290 . 0 0 "[ . 1 . 2]" 1
1575 1 121 MET HA 1 124 THR MG . . 3.790 2.865 2.307 3.603 . 0 0 "[ . 1 . 2]" 1
1576 1 121 MET HA 1 125 GLU H . . 4.850 4.339 3.821 4.879 0.029 5 0 "[ . 1 . 2]" 1
1577 1 121 MET HB2 1 121 MET ME . . 2.950 2.589 2.303 2.832 . 0 0 "[ . 1 . 2]" 1
1578 1 121 MET HB2 1 122 CYS H . . 4.090 2.815 2.540 3.146 . 0 0 "[ . 1 . 2]" 1
1579 1 121 MET HB3 1 121 MET ME . . 2.980 2.344 2.112 2.620 . 0 0 "[ . 1 . 2]" 1
1580 1 121 MET HB3 1 122 CYS H . . 3.990 3.658 3.311 3.994 0.004 11 0 "[ . 1 . 2]" 1
1581 1 121 MET ME 1 121 MET QG . . 3.410 2.538 2.352 2.744 . 0 0 "[ . 1 . 2]" 1
1582 1 121 MET QG 1 122 CYS H . . 5.500 4.190 3.928 4.426 . 0 0 "[ . 1 . 2]" 1
1583 1 121 MET QG 1 124 THR MG . . 4.500 3.982 3.218 4.470 . 0 0 "[ . 1 . 2]" 1
1584 1 122 CYS H 1 122 CYS QB . . 3.500 2.492 2.176 3.046 . 0 0 "[ . 1 . 2]" 1
1585 1 122 CYS H 1 123 ILE H . . 3.690 2.643 2.366 2.892 . 0 0 "[ . 1 . 2]" 1
1586 1 122 CYS H 1 124 THR H . . 4.750 3.998 3.403 4.318 . 0 0 "[ . 1 . 2]" 1
1587 1 122 CYS HA 1 123 ILE H . . 4.890 3.597 3.557 3.673 . 0 0 "[ . 1 . 2]" 1
1588 1 122 CYS HA 1 125 GLU H . . 4.150 3.323 2.072 3.696 . 0 0 "[ . 1 . 2]" 1
1589 1 122 CYS HA 1 125 GLU HB2 . . 3.990 2.981 2.005 3.654 . 0 0 "[ . 1 . 2]" 1
1590 1 122 CYS HA 1 126 TYR H . . 5.390 4.567 4.081 5.001 . 0 0 "[ . 1 . 2]" 1
1591 1 122 CYS QB 1 123 ILE H . . 4.070 2.427 2.188 3.045 . 0 0 "[ . 1 . 2]" 1
1592 1 122 CYS QB 1 123 ILE MD . . 4.560 4.122 2.964 4.487 . 0 0 "[ . 1 . 2]" 1
1593 1 123 ILE H 1 123 ILE HB . . 3.420 2.324 1.968 2.675 . 0 0 "[ . 1 . 2]" 1
1594 1 123 ILE H 1 123 ILE MD . . 4.330 3.309 2.614 3.699 . 0 0 "[ . 1 . 2]" 1
1595 1 123 ILE H 1 123 ILE HG12 . . 4.110 3.591 2.045 4.188 0.078 10 0 "[ . 1 . 2]" 1
1596 1 123 ILE H 1 123 ILE HG13 . . 3.630 2.405 2.040 3.600 . 0 0 "[ . 1 . 2]" 1
1597 1 123 ILE H 1 123 ILE MG . . 4.260 3.715 3.522 3.803 . 0 0 "[ . 1 . 2]" 1
1598 1 123 ILE H 1 124 THR H . . 3.730 2.749 2.462 2.926 . 0 0 "[ . 1 . 2]" 1
1599 1 123 ILE H 1 124 THR HB . . 4.970 4.551 3.940 5.012 0.042 2 0 "[ . 1 . 2]" 1
1600 1 123 ILE HA 1 123 ILE MD . . 3.820 3.735 2.240 3.887 0.067 3 0 "[ . 1 . 2]" 1
1601 1 123 ILE HA 1 123 ILE HG12 . . 3.800 2.612 2.409 3.331 . 0 0 "[ . 1 . 2]" 1
1602 1 123 ILE HA 1 123 ILE HG13 . . 3.800 2.745 1.997 3.853 0.053 6 0 "[ . 1 . 2]" 1
1603 1 123 ILE HA 1 123 ILE MG . . 3.370 2.578 2.428 2.914 . 0 0 "[ . 1 . 2]" 1
1604 1 123 ILE HA 1 124 THR H . . 4.640 3.593 3.529 3.636 . 0 0 "[ . 1 . 2]" 1
1605 1 123 ILE HA 1 126 TYR H . . 4.380 3.613 3.335 3.928 . 0 0 "[ . 1 . 2]" 1
1606 1 123 ILE HA 1 126 TYR HB3 . . 4.600 4.361 3.247 5.390 0.790 9 3 "[ . +1 - * 2]" 1
1607 1 123 ILE HA 1 127 ARG H . . 4.850 4.370 4.034 4.909 0.059 1 0 "[ . 1 . 2]" 1
1608 1 123 ILE HB 1 123 ILE MD . . 3.100 2.378 2.103 3.207 0.107 6 0 "[ . 1 . 2]" 1
1609 1 123 ILE HB 1 123 ILE HG13 . . 2.640 2.557 2.437 2.738 0.098 10 0 "[ . 1 . 2]" 1
1610 1 123 ILE HB 1 124 THR H . . 3.600 2.755 2.565 3.013 . 0 0 "[ . 1 . 2]" 1
1611 1 123 ILE MD 1 123 ILE MG . . 2.400 2.156 2.039 2.527 0.127 10 0 "[ . 1 . 2]" 1
1612 1 123 ILE MD 1 124 THR H . . 5.000 4.642 4.335 4.906 . 0 0 "[ . 1 . 2]" 1
1613 1 123 ILE HG12 1 123 ILE MG . . 3.020 2.384 2.131 3.181 0.161 6 0 "[ . 1 . 2]" 1
1614 1 123 ILE HG12 1 127 ARG HE . . 5.260 5.015 4.403 6.053 0.793 6 1 "[ .+ 1 . 2]" 1
1615 1 123 ILE HG13 1 123 ILE MG . . 3.130 3.147 2.241 3.222 0.092 19 0 "[ . 1 . 2]" 1
1616 1 123 ILE MG 1 124 THR H . . 4.230 3.297 2.884 3.605 . 0 0 "[ . 1 . 2]" 1
1617 1 123 ILE MG 1 124 THR HA . . 4.250 3.543 3.121 3.991 . 0 0 "[ . 1 . 2]" 1
1618 1 123 ILE MG 1 126 TYR H . . 5.300 4.842 4.433 5.247 . 0 0 "[ . 1 . 2]" 1
1619 1 123 ILE MG 1 127 ARG H . . 5.100 4.142 3.581 4.518 . 0 0 "[ . 1 . 2]" 1
1620 1 123 ILE MG 1 127 ARG HD2 . . 4.090 2.456 1.981 3.324 . 0 0 "[ . 1 . 2]" 1
1621 1 123 ILE MG 1 127 ARG HD3 . . 4.170 2.766 2.011 4.002 . 0 0 "[ . 1 . 2]" 1
1622 1 123 ILE MG 1 127 ARG HE . . 4.520 2.528 1.951 3.018 . 0 0 "[ . 1 . 2]" 1
1623 1 123 ILE MG 1 127 ARG HG2 . . 4.930 4.325 3.877 4.965 0.035 14 0 "[ . 1 . 2]" 1
1624 1 124 THR H 1 124 THR HB . . 3.320 2.094 1.901 2.576 . 0 0 "[ . 1 . 2]" 1
1625 1 124 THR H 1 124 THR MG . . 4.230 3.334 2.901 3.741 . 0 0 "[ . 1 . 2]" 1
1626 1 124 THR H 1 125 GLU H . . 3.670 2.877 2.734 3.022 . 0 0 "[ . 1 . 2]" 1
1627 1 124 THR HA 1 124 THR MG . . 3.090 3.002 2.543 3.181 0.091 4 0 "[ . 1 . 2]" 1
1628 1 124 THR HA 1 125 GLU H . . 4.550 3.637 3.560 3.728 . 0 0 "[ . 1 . 2]" 1
1629 1 124 THR HA 1 126 TYR H . . 4.830 4.359 3.518 4.731 . 0 0 "[ . 1 . 2]" 1
1630 1 124 THR HA 1 127 ARG H . . 4.240 3.224 2.482 3.644 . 0 0 "[ . 1 . 2]" 1
1631 1 124 THR HA 1 127 ARG HB2 . . 3.500 2.334 2.031 2.587 . 0 0 "[ . 1 . 2]" 1
1632 1 124 THR HA 1 127 ARG HB3 . . 3.820 3.805 3.411 3.899 0.079 16 0 "[ . 1 . 2]" 1
1633 1 124 THR HA 1 127 ARG HD2 . . 3.770 3.410 2.419 3.856 0.086 2 0 "[ . 1 . 2]" 1
1634 1 124 THR HA 1 127 ARG HD3 . . 3.860 3.691 2.868 3.938 0.078 19 0 "[ . 1 . 2]" 1
1635 1 124 THR HA 1 128 ARG H . . 4.850 3.834 3.096 4.317 . 0 0 "[ . 1 . 2]" 1
1636 1 124 THR HB 1 125 GLU H . . 3.640 3.383 2.529 3.714 0.074 1 0 "[ . 1 . 2]" 1
1637 1 124 THR MG 1 125 GLU H . . 4.450 2.838 2.358 3.608 . 0 0 "[ . 1 . 2]" 1
1638 1 124 THR MG 1 128 ARG H . . 5.240 4.142 3.591 4.669 . 0 0 "[ . 1 . 2]" 1
1639 1 124 THR MG 1 128 ARG QB . . 3.860 3.441 2.322 3.852 . 0 0 "[ . 1 . 2]" 1
1640 1 124 THR MG 1 128 ARG HD2 . . 4.230 3.060 2.269 4.278 0.048 12 0 "[ . 1 . 2]" 1
1641 1 124 THR MG 1 128 ARG HD3 . . 4.390 2.941 2.098 4.348 . 0 0 "[ . 1 . 2]" 1
1642 1 125 GLU H 1 125 GLU HB2 . . 3.930 2.266 2.070 2.546 . 0 0 "[ . 1 . 2]" 1
1643 1 125 GLU H 1 125 GLU HB3 . . 3.610 3.116 2.535 3.610 . 2 0 "[ . 1 . 2]" 1
1644 1 125 GLU H 1 125 GLU HG2 . . 5.080 3.887 2.456 4.634 . 0 0 "[ . 1 . 2]" 1
1645 1 125 GLU H 1 125 GLU HG3 . . 4.970 4.226 3.734 4.641 . 0 0 "[ . 1 . 2]" 1
1646 1 125 GLU H 1 126 TYR H . . 3.790 2.705 2.601 2.854 . 0 0 "[ . 1 . 2]" 1
1647 1 125 GLU H 1 126 TYR HA . . 5.250 5.315 5.256 5.330 0.080 17 0 "[ . 1 . 2]" 1
1648 1 125 GLU H 1 127 ARG H . . 4.750 4.273 3.949 4.612 . 0 0 "[ . 1 . 2]" 1
1649 1 125 GLU HA 1 125 GLU HG2 . . 3.790 2.767 2.086 3.830 0.040 5 0 "[ . 1 . 2]" 1
1650 1 125 GLU HA 1 125 GLU HG3 . . 3.650 3.185 2.254 3.711 0.061 20 0 "[ . 1 . 2]" 1
1651 1 125 GLU HA 1 126 TYR H . . 4.590 3.569 3.464 3.661 . 0 0 "[ . 1 . 2]" 1
1652 1 125 GLU HA 1 128 ARG H . . 4.060 3.590 3.036 3.969 . 0 0 "[ . 1 . 2]" 1
1653 1 125 GLU HA 1 128 ARG QB . . 3.620 3.033 2.284 3.644 0.024 9 0 "[ . 1 . 2]" 1
1654 1 125 GLU HA 1 128 ARG HD3 . . 3.830 3.181 2.383 4.175 0.345 11 0 "[ . 1 . 2]" 1
1655 1 125 GLU HA 1 128 ARG HE . . 4.960 4.859 3.544 5.052 0.092 8 0 "[ . 1 . 2]" 1
1656 1 125 GLU HB2 1 126 TYR H . . 4.160 3.427 2.685 4.272 0.112 17 0 "[ . 1 . 2]" 1
1657 1 125 GLU HB3 1 126 TYR H . . 4.210 2.984 2.301 3.964 . 0 0 "[ . 1 . 2]" 1
1658 1 125 GLU HG3 1 126 TYR H . . 5.500 5.025 3.839 5.709 0.209 9 0 "[ . 1 . 2]" 1
1659 1 126 TYR H 1 126 TYR HB2 . . 3.590 2.191 1.983 2.445 . 0 0 "[ . 1 . 2]" 1
1660 1 126 TYR H 1 126 TYR QD . . 4.610 3.457 3.117 3.850 . 0 0 "[ . 1 . 2]" 1
1661 1 126 TYR H 1 126 TYR QE . . 5.500 5.414 5.003 5.617 0.117 6 0 "[ . 1 . 2]" 1
1662 1 126 TYR H 1 127 ARG H . . 3.540 2.794 2.651 2.965 . 0 0 "[ . 1 . 2]" 1
1663 1 126 TYR H 1 128 ARG H . . 4.240 4.258 4.038 4.328 0.088 6 0 "[ . 1 . 2]" 1
1664 1 126 TYR H 1 129 GLY H . . 4.790 4.658 4.198 4.866 0.076 13 0 "[ . 1 . 2]" 1
1665 1 126 TYR HA 1 126 TYR QD . . 3.460 2.359 2.100 2.946 . 0 0 "[ . 1 . 2]" 1
1666 1 126 TYR HA 1 126 TYR QE . . 4.320 4.302 4.053 4.408 0.088 11 0 "[ . 1 . 2]" 1
1667 1 126 TYR HA 1 127 ARG H . . 4.490 3.602 3.434 3.713 . 0 0 "[ . 1 . 2]" 1
1668 1 126 TYR HA 1 128 ARG H . . 4.640 4.503 4.080 4.721 0.081 4 0 "[ . 1 . 2]" 1
1669 1 126 TYR HA 1 129 GLY H . . 4.930 3.830 3.396 4.092 . 0 0 "[ . 1 . 2]" 1
1670 1 126 TYR HA 1 129 GLY HA3 . . 4.140 3.993 3.297 4.222 0.082 11 0 "[ . 1 . 2]" 1
1671 1 126 TYR HB2 1 127 ARG H . . 4.310 2.922 2.564 3.417 . 0 0 "[ . 1 . 2]" 1
1672 1 126 TYR HB3 1 127 ARG H . . 3.650 2.928 2.214 3.600 . 0 0 "[ . 1 . 2]" 1
1673 1 126 TYR QD 1 127 ARG H . . 4.630 4.540 4.139 4.725 0.095 1 0 "[ . 1 . 2]" 1
1674 1 127 ARG H 1 127 ARG HB2 . . 3.540 2.177 2.090 2.239 . 0 0 "[ . 1 . 2]" 1
1675 1 127 ARG H 1 127 ARG HB3 . . 3.390 3.461 3.433 3.476 0.086 3 0 "[ . 1 . 2]" 1
1676 1 127 ARG H 1 127 ARG HD2 . . 4.460 2.843 2.003 3.631 . 0 0 "[ . 1 . 2]" 1
1677 1 127 ARG H 1 127 ARG HD3 . . 5.020 3.985 2.960 4.728 . 0 0 "[ . 1 . 2]" 1
1678 1 127 ARG H 1 127 ARG HE . . 4.860 4.674 4.245 4.930 0.070 7 0 "[ . 1 . 2]" 1
1679 1 127 ARG H 1 127 ARG HG2 . . 3.990 4.053 3.729 4.325 0.335 20 0 "[ . 1 . 2]" 1
1680 1 127 ARG H 1 127 ARG HG3 . . 5.100 3.139 2.396 3.837 . 0 0 "[ . 1 . 2]" 1
1681 1 127 ARG H 1 128 ARG H . . 3.730 2.837 2.364 3.089 . 0 0 "[ . 1 . 2]" 1
1682 1 127 ARG HA 1 127 ARG HB3 . . 3.040 2.664 2.575 2.767 . 0 0 "[ . 1 . 2]" 1
1683 1 127 ARG HA 1 127 ARG HD2 . . 4.750 3.836 2.902 4.543 . 0 0 "[ . 1 . 2]" 1
1684 1 127 ARG HA 1 127 ARG HD3 . . 4.830 4.417 4.104 4.601 . 0 0 "[ . 1 . 2]" 1
1685 1 127 ARG HA 1 127 ARG HE . . 5.180 4.919 4.274 5.245 0.065 10 0 "[ . 1 . 2]" 1
1686 1 127 ARG HA 1 127 ARG HG2 . . 3.460 3.004 2.491 3.534 0.074 18 0 "[ . 1 . 2]" 1
1687 1 127 ARG HA 1 127 ARG HG3 . . 3.260 2.308 2.059 2.730 . 0 0 "[ . 1 . 2]" 1
1688 1 127 ARG HA 1 130 SER H . . 4.710 3.923 3.324 4.373 . 0 0 "[ . 1 . 2]" 1
1689 1 127 ARG HB2 1 127 ARG HD2 . . 3.540 2.493 2.248 2.838 . 0 0 "[ . 1 . 2]" 1
1690 1 127 ARG HB2 1 127 ARG HD3 . . 3.020 2.733 2.480 3.064 0.044 6 0 "[ . 1 . 2]" 1
1691 1 127 ARG HB2 1 127 ARG HE . . 5.010 4.441 4.068 4.722 . 0 0 "[ . 1 . 2]" 1
1692 1 127 ARG HB2 1 127 ARG HG2 . . 3.000 2.855 2.545 3.040 0.040 10 0 "[ . 1 . 2]" 1
1693 1 127 ARG HB2 1 128 ARG H . . 3.340 3.053 2.717 3.413 0.073 9 0 "[ . 1 . 2]" 1
1694 1 127 ARG HB3 1 127 ARG HD2 . . 4.080 3.504 3.165 3.768 . 0 0 "[ . 1 . 2]" 1
1695 1 127 ARG HB3 1 127 ARG HD3 . . 4.080 3.195 2.500 3.763 . 0 0 "[ . 1 . 2]" 1
1696 1 127 ARG HB3 1 128 ARG H . . 3.730 3.523 3.191 3.814 0.084 1 0 "[ . 1 . 2]" 1
1697 1 127 ARG HE 1 127 ARG HG2 . . 4.260 3.303 2.881 3.849 . 0 0 "[ . 1 . 2]" 1
1698 1 127 ARG HE 1 127 ARG HG3 . . 4.100 2.879 2.356 3.420 . 0 0 "[ . 1 . 2]" 1
1699 1 128 ARG H 1 128 ARG QB . . 3.010 2.091 1.816 2.328 . 0 0 "[ . 1 . 2]" 1
1700 1 128 ARG H 1 128 ARG HD2 . . 4.800 3.547 2.576 4.893 0.093 8 0 "[ . 1 . 2]" 1
1701 1 128 ARG H 1 128 ARG HD3 . . 4.540 3.430 2.692 4.894 0.354 10 0 "[ . 1 . 2]" 1
1702 1 128 ARG H 1 128 ARG HE . . 5.120 5.072 4.574 5.215 0.095 2 0 "[ . 1 . 2]" 1
1703 1 128 ARG H 1 128 ARG HG3 . . 4.200 3.808 2.533 4.603 0.403 10 0 "[ . 1 . 2]" 1
1704 1 128 ARG HA 1 128 ARG HD3 . . 4.600 4.230 3.864 5.129 0.529 10 1 "[ . + . 2]" 1
1705 1 128 ARG HA 1 128 ARG HG2 . . 3.650 3.120 2.454 3.635 . 0 0 "[ . 1 . 2]" 1
1706 1 128 ARG HA 1 128 ARG HG3 . . 3.460 2.844 2.067 3.732 0.272 9 0 "[ . 1 . 2]" 1
1707 1 128 ARG HA 1 129 GLY H . . 3.550 3.526 3.418 3.622 0.072 10 0 "[ . 1 . 2]" 1
1708 1 128 ARG HA 1 130 SER H . . 4.150 3.735 3.269 4.222 0.072 14 0 "[ . 1 . 2]" 1
1709 1 128 ARG QB 1 128 ARG HD2 . . 3.040 2.782 1.922 3.023 . 0 0 "[ . 1 . 2]" 1
1710 1 128 ARG QB 1 128 ARG HD3 . . 3.110 2.256 1.953 3.019 . 0 0 "[ . 1 . 2]" 1
1711 1 128 ARG QB 1 128 ARG HE . . 4.160 3.555 2.840 3.865 . 0 0 "[ . 1 . 2]" 1
1712 1 128 ARG QB 1 129 GLY H . . 3.600 2.516 2.064 2.887 . 0 0 "[ . 1 . 2]" 1
1713 1 128 ARG QB 1 129 GLY HA3 . . 4.820 4.274 3.591 4.718 . 0 0 "[ . 1 . 2]" 1
1714 1 128 ARG QB 1 130 SER H . . 4.580 4.297 4.134 4.449 . 0 0 "[ . 1 . 2]" 1
1715 1 128 ARG HD2 1 128 ARG HG3 . . 2.990 2.391 2.194 3.055 0.065 10 0 "[ . 1 . 2]" 1
1716 1 128 ARG HE 1 128 ARG HG3 . . 3.920 3.337 2.168 3.834 . 0 0 "[ . 1 . 2]" 1
1717 1 128 ARG HG3 1 129 GLY H . . 4.510 4.657 4.473 5.033 0.523 4 1 "[ +. 1 . 2]" 1
1718 1 129 GLY H 1 129 GLY HA2 . . 2.940 2.877 2.791 2.965 0.025 19 0 "[ . 1 . 2]" 1
1719 1 129 GLY H 1 129 GLY HA3 . . 2.870 2.278 2.187 2.357 . 0 0 "[ . 1 . 2]" 1
1720 1 129 GLY HA2 1 130 SER H . . 3.450 3.333 3.203 3.497 0.047 10 0 "[ . 1 . 2]" 1
1721 1 129 GLY HA3 1 130 SER H . . 3.150 3.174 2.982 3.233 0.083 19 0 "[ . 1 . 2]" 1
1722 1 130 SER H 1 130 SER HB2 . . 3.630 2.616 2.121 3.575 . 0 0 "[ . 1 . 2]" 1
1723 1 130 SER H 1 130 SER HB3 . . 3.510 2.928 2.287 3.717 0.207 15 0 "[ . 1 . 2]" 1
1724 1 130 SER HA 1 130 SER HB3 . . 2.800 2.927 2.380 3.059 0.259 16 0 "[ . 1 . 2]" 1
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