NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
569332 |
2lxe   |
18672 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lxe
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 1664
_Distance_constraint_stats_list.Viol_count 1797
_Distance_constraint_stats_list.Viol_total 1437.993
_Distance_constraint_stats_list.Viol_max 0.434
_Distance_constraint_stats_list.Viol_rms 0.0145
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0022
_Distance_constraint_stats_list.Viol_average_violations_only 0.0400
_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 15 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 PRO 0.008 0.008 16 0 "[ . 1 . 2]"
1 17 ARG 0.057 0.049 10 0 "[ . 1 . 2]"
1 18 GLY 0.049 0.049 10 0 "[ . 1 . 2]"
1 19 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ILE 0.712 0.124 15 0 "[ . 1 . 2]"
1 23 SER 0.004 0.004 13 0 "[ . 1 . 2]"
1 24 LEU 0.765 0.142 18 0 "[ . 1 . 2]"
1 25 SER 0.098 0.063 15 0 "[ . 1 . 2]"
1 26 GLY 0.002 0.001 14 0 "[ . 1 . 2]"
1 27 LEU 2.144 0.219 6 0 "[ . 1 . 2]"
1 28 THR 2.266 0.185 15 0 "[ . 1 . 2]"
1 29 SER 0.218 0.082 14 0 "[ . 1 . 2]"
1 30 SER 0.002 0.002 2 0 "[ . 1 . 2]"
1 31 VAL 0.048 0.009 11 0 "[ . 1 . 2]"
1 32 GLU 0.014 0.006 19 0 "[ . 1 . 2]"
1 33 SER 0.236 0.024 2 0 "[ . 1 . 2]"
1 34 ASP 0.224 0.024 2 0 "[ . 1 . 2]"
1 35 LEU 0.063 0.009 9 0 "[ . 1 . 2]"
1 36 ASP 0.011 0.009 6 0 "[ . 1 . 2]"
1 37 MET 0.338 0.069 18 0 "[ . 1 . 2]"
1 38 GLN 0.010 0.003 7 0 "[ . 1 . 2]"
1 39 GLN 0.142 0.056 1 0 "[ . 1 . 2]"
1 40 ALA 0.253 0.022 10 0 "[ . 1 . 2]"
1 41 MET 0.195 0.022 10 0 "[ . 1 . 2]"
1 42 LEU 0.030 0.008 15 0 "[ . 1 . 2]"
1 43 THR 0.138 0.044 11 0 "[ . 1 . 2]"
1 44 ASN 0.313 0.130 11 0 "[ . 1 . 2]"
1 45 LYS 0.975 0.425 11 0 "[ . 1 . 2]"
1 46 ASP 0.718 0.425 11 0 "[ . 1 . 2]"
1 47 GLU 0.013 0.007 13 0 "[ . 1 . 2]"
1 48 LYS 3.398 0.264 3 0 "[ . 1 . 2]"
1 49 VAL 1.405 0.102 11 0 "[ . 1 . 2]"
1 50 LEU 1.306 0.092 17 0 "[ . 1 . 2]"
1 51 LYS 0.839 0.167 17 0 "[ . 1 . 2]"
1 52 ALA 1.617 0.167 17 0 "[ . 1 . 2]"
1 53 LEU 3.528 0.164 9 0 "[ . 1 . 2]"
1 54 GLU 1.885 0.434 19 0 "[ . 1 . 2]"
1 55 ARG 1.841 0.190 19 0 "[ . 1 . 2]"
1 56 THR 0.727 0.191 13 0 "[ . 1 . 2]"
1 57 ARG 4.843 0.205 13 0 "[ . 1 . 2]"
1 58 GLN 3.545 0.205 13 0 "[ . 1 . 2]"
1 59 LEU 1.370 0.090 13 0 "[ . 1 . 2]"
1 60 ASP 2.049 0.125 9 0 "[ . 1 . 2]"
1 61 ILE 1.701 0.094 4 0 "[ . 1 . 2]"
1 62 PRO 2.926 0.215 6 0 "[ . 1 . 2]"
1 63 ASP 1.526 0.299 13 0 "[ . 1 . 2]"
1 64 GLU 4.002 0.299 13 0 "[ . 1 . 2]"
1 65 LYS 1.473 0.072 8 0 "[ . 1 . 2]"
1 66 THR 1.666 0.142 15 0 "[ . 1 . 2]"
1 67 MET 1.657 0.142 15 0 "[ . 1 . 2]"
1 68 PRO 0.346 0.109 2 0 "[ . 1 . 2]"
1 69 VAL 2.024 0.122 2 0 "[ . 1 . 2]"
1 70 LEU 5.777 0.240 10 0 "[ . 1 . 2]"
1 71 MET 1.834 0.240 10 0 "[ . 1 . 2]"
1 72 LYS 4.076 0.193 17 0 "[ . 1 . 2]"
1 73 LEU 1.652 0.086 4 0 "[ . 1 . 2]"
1 74 LEU 9.989 0.289 20 0 "[ . 1 . 2]"
1 75 GLU 1.073 0.171 20 0 "[ . 1 . 2]"
1 76 GLU 0.977 0.225 7 0 "[ . 1 . 2]"
1 77 ALA 0.856 0.173 7 0 "[ . 1 . 2]"
1 78 GLY 0.399 0.077 7 0 "[ . 1 . 2]"
1 79 GLY 7.023 0.289 20 0 "[ . 1 . 2]"
1 80 ASN 3.201 0.126 7 0 "[ . 1 . 2]"
1 81 TRP 2.667 0.118 20 0 "[ . 1 . 2]"
1 82 SER 1.630 0.103 8 0 "[ . 1 . 2]"
1 83 TYR 0.268 0.074 20 0 "[ . 1 . 2]"
1 84 ILE 7.572 0.213 8 0 "[ . 1 . 2]"
1 85 LYS 4.642 0.141 10 0 "[ . 1 . 2]"
1 86 LEU 2.230 0.141 10 0 "[ . 1 . 2]"
1 87 ASP 0.007 0.005 7 0 "[ . 1 . 2]"
1 88 ASN 0.924 0.054 16 0 "[ . 1 . 2]"
1 89 TYR 1.998 0.111 20 0 "[ . 1 . 2]"
1 90 THR 3.696 0.189 20 0 "[ . 1 . 2]"
1 91 ALA 0.094 0.021 20 0 "[ . 1 . 2]"
1 92 LEU 2.037 0.058 7 0 "[ . 1 . 2]"
1 93 VAL 3.566 0.189 20 0 "[ . 1 . 2]"
1 94 ASP 0.034 0.011 6 0 "[ . 1 . 2]"
1 95 ALA 0.438 0.044 15 0 "[ . 1 . 2]"
1 96 ILE 3.605 0.086 12 0 "[ . 1 . 2]"
1 97 TYR 0.088 0.019 12 0 "[ . 1 . 2]"
1 98 SER 1.275 0.051 19 0 "[ . 1 . 2]"
1 99 VAL 0.269 0.039 6 0 "[ . 1 . 2]"
1 100 GLU 3.110 0.146 12 0 "[ . 1 . 2]"
1 101 ASP 1.705 0.146 12 0 "[ . 1 . 2]"
1 102 GLU 0.089 0.047 4 0 "[ . 1 . 2]"
1 103 ASN 0.204 0.103 12 0 "[ . 1 . 2]"
1 104 LYS 0.631 0.184 9 0 "[ . 1 . 2]"
1 105 GLN 0.694 0.127 12 0 "[ . 1 . 2]"
1 106 SER 0.293 0.127 12 0 "[ . 1 . 2]"
1 107 GLU 0.143 0.133 4 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 15 VAL H 1 15 VAL QG . . 3.010 2.110 1.858 2.436 . 0 0 "[ . 1 . 2]" 1
2 1 15 VAL HA 1 16 PRO QD . . 2.350 2.110 2.103 2.149 . 0 0 "[ . 1 . 2]" 1
3 1 15 VAL HB 1 16 PRO HD2 . . 3.430 1.974 1.957 1.977 . 0 0 "[ . 1 . 2]" 1
4 1 15 VAL HB 1 16 PRO QD . . 2.920 1.962 1.942 1.965 . 0 0 "[ . 1 . 2]" 1
5 1 15 VAL HB 1 16 PRO HD3 . . 3.430 3.409 3.241 3.428 . 0 0 "[ . 1 . 2]" 1
6 1 16 PRO HA 1 17 ARG H . . 2.940 2.402 2.151 2.634 . 0 0 "[ . 1 . 2]" 1
7 1 16 PRO QB 1 17 ARG H . . 3.760 2.756 2.076 3.709 . 0 0 "[ . 1 . 2]" 1
8 1 16 PRO HB2 1 17 ARG H . . 4.340 2.890 2.102 4.029 . 0 0 "[ . 1 . 2]" 1
9 1 16 PRO HB3 1 17 ARG H . . 4.340 3.640 3.213 4.337 . 0 0 "[ . 1 . 2]" 1
10 1 16 PRO QD 1 17 ARG H . . 4.960 4.876 4.780 4.968 0.008 16 0 "[ . 1 . 2]" 1
11 1 16 PRO QG 1 17 ARG H . . 4.990 4.216 3.748 4.734 . 0 0 "[ . 1 . 2]" 1
12 1 17 ARG H 1 17 ARG QB . . 3.460 2.662 2.176 3.309 . 0 0 "[ . 1 . 2]" 1
13 1 17 ARG H 1 17 ARG QG . . 4.760 3.105 2.127 4.375 . 0 0 "[ . 1 . 2]" 1
14 1 17 ARG HA 1 17 ARG QD . . 4.130 3.582 2.193 4.123 . 0 0 "[ . 1 . 2]" 1
15 1 17 ARG HA 1 17 ARG QG . . 3.500 2.660 2.206 3.442 . 0 0 "[ . 1 . 2]" 1
16 1 17 ARG HA 1 18 GLY H . . 3.510 2.436 2.145 3.559 0.049 10 0 "[ . 1 . 2]" 1
17 1 17 ARG HA 1 18 GLY HA2 . . 5.320 4.490 4.304 5.290 . 0 0 "[ . 1 . 2]" 1
18 1 17 ARG HA 1 18 GLY QA . . 4.570 3.961 3.892 4.351 . 0 0 "[ . 1 . 2]" 1
19 1 17 ARG HA 1 18 GLY HA3 . . 5.320 4.426 4.303 4.954 . 0 0 "[ . 1 . 2]" 1
20 1 17 ARG QB 1 17 ARG QD . . 3.270 2.147 1.950 2.488 . 0 0 "[ . 1 . 2]" 1
21 1 17 ARG QB 1 18 GLY H . . 4.290 3.033 1.966 3.982 . 0 0 "[ . 1 . 2]" 1
22 1 19 SER H 1 19 SER QB . . 3.700 2.759 2.305 3.430 . 0 0 "[ . 1 . 2]" 1
23 1 21 MET H 1 22 ILE HB . . 5.500 4.857 4.256 5.380 . 0 0 "[ . 1 . 2]" 1
24 1 21 MET HA 1 21 MET QG . . 3.570 2.571 2.144 3.423 . 0 0 "[ . 1 . 2]" 1
25 1 22 ILE H 1 22 ILE HB . . 3.690 2.955 2.421 3.440 . 0 0 "[ . 1 . 2]" 1
26 1 22 ILE H 1 22 ILE QG . . 4.550 4.128 3.946 4.376 . 0 0 "[ . 1 . 2]" 1
27 1 22 ILE H 1 22 ILE MG . . 3.000 2.280 2.024 2.786 . 0 0 "[ . 1 . 2]" 1
28 1 22 ILE HA 1 22 ILE MD . . 3.910 2.916 1.960 3.774 . 0 0 "[ . 1 . 2]" 1
29 1 22 ILE HA 1 22 ILE MG . . 3.550 3.184 3.068 3.200 . 0 0 "[ . 1 . 2]" 1
30 1 22 ILE HA 1 23 SER H . . 3.220 2.278 2.186 3.093 . 0 0 "[ . 1 . 2]" 1
31 1 22 ILE HA 1 24 LEU H . . 4.610 4.398 3.782 4.676 0.066 19 0 "[ . 1 . 2]" 1
32 1 22 ILE HB 1 22 ILE MD . . 3.100 2.379 2.125 3.224 0.124 15 0 "[ . 1 . 2]" 1
33 1 22 ILE HB 1 23 SER H . . 4.400 4.093 3.968 4.388 . 0 0 "[ . 1 . 2]" 1
34 1 22 ILE HB 1 24 LEU QB . . 5.340 4.956 4.234 5.419 0.079 15 0 "[ . 1 . 2]" 1
35 1 22 ILE MD 1 23 SER H . . 4.650 3.171 1.818 4.654 0.004 13 0 "[ . 1 . 2]" 1
36 1 22 ILE QG 1 22 ILE MG . . 2.870 2.149 2.026 2.521 . 0 0 "[ . 1 . 2]" 1
37 1 22 ILE HG12 1 22 ILE MG . . 3.320 2.342 2.052 3.202 . 0 0 "[ . 1 . 2]" 1
38 1 22 ILE HG13 1 22 ILE MG . . 3.320 2.780 2.337 3.198 . 0 0 "[ . 1 . 2]" 1
39 1 22 ILE MG 1 23 SER H . . 4.210 3.594 3.032 3.824 . 0 0 "[ . 1 . 2]" 1
40 1 22 ILE MG 1 23 SER HA . . 5.060 4.264 3.992 4.525 . 0 0 "[ . 1 . 2]" 1
41 1 22 ILE MG 1 23 SER QB . . 5.340 4.694 3.734 5.164 . 0 0 "[ . 1 . 2]" 1
42 1 22 ILE MG 1 24 LEU H . . 4.250 2.496 1.895 3.352 . 0 0 "[ . 1 . 2]" 1
43 1 22 ILE MG 1 24 LEU HA . . 3.640 3.524 2.694 3.716 0.076 19 0 "[ . 1 . 2]" 1
44 1 22 ILE MG 1 24 LEU QB . . 4.850 2.211 1.882 2.711 . 0 0 "[ . 1 . 2]" 1
45 1 22 ILE MG 1 25 SER H . . 5.500 4.411 2.239 5.392 . 0 0 "[ . 1 . 2]" 1
46 1 23 SER H 1 23 SER QB . . 3.600 2.459 2.177 2.900 . 0 0 "[ . 1 . 2]" 1
47 1 23 SER HA 1 25 SER H . . 4.920 3.891 3.184 4.887 . 0 0 "[ . 1 . 2]" 1
48 1 23 SER HB2 1 24 LEU H . . 5.270 3.955 2.310 4.661 . 0 0 "[ . 1 . 2]" 1
49 1 23 SER HB3 1 24 LEU H . . 5.270 4.064 2.990 4.658 . 0 0 "[ . 1 . 2]" 1
50 1 24 LEU H 1 24 LEU QB . . 3.210 2.354 2.069 2.921 . 0 0 "[ . 1 . 2]" 1
51 1 24 LEU H 1 25 SER H . . 3.190 2.876 2.607 3.253 0.063 15 0 "[ . 1 . 2]" 1
52 1 24 LEU HA 1 24 LEU QD . . 3.070 2.274 1.872 3.212 0.142 18 0 "[ . 1 . 2]" 1
53 1 24 LEU MD1 1 25 SER H . . 5.500 4.458 3.262 5.387 . 0 0 "[ . 1 . 2]" 1
54 1 24 LEU MD2 1 25 SER H . . 5.500 4.633 3.588 5.423 . 0 0 "[ . 1 . 2]" 1
55 1 25 SER HA 1 26 GLY H . . 3.110 2.314 2.143 2.618 . 0 0 "[ . 1 . 2]" 1
56 1 25 SER HA 1 26 GLY HA2 . . 5.500 4.453 4.342 4.718 . 0 0 "[ . 1 . 2]" 1
57 1 25 SER HA 1 26 GLY QA . . 4.830 3.939 3.897 4.077 . 0 0 "[ . 1 . 2]" 1
58 1 25 SER HA 1 26 GLY HA3 . . 5.500 4.401 4.303 4.786 . 0 0 "[ . 1 . 2]" 1
59 1 26 GLY H 1 27 LEU H . . 4.440 3.507 2.175 4.441 0.001 14 0 "[ . 1 . 2]" 1
60 1 26 GLY QA 1 27 LEU H . . 2.710 2.366 2.115 2.704 . 0 0 "[ . 1 . 2]" 1
61 1 26 GLY QA 1 27 LEU HA . . 5.340 4.007 3.939 4.329 . 0 0 "[ . 1 . 2]" 1
62 1 27 LEU H 1 27 LEU QB . . 2.810 2.651 2.177 3.029 0.219 6 0 "[ . 1 . 2]" 1
63 1 27 LEU H 1 28 THR H . . 4.710 2.761 1.899 4.402 . 0 0 "[ . 1 . 2]" 1
64 1 27 LEU HA 1 28 THR H . . 3.310 3.018 2.167 3.402 0.092 2 0 "[ . 1 . 2]" 1
65 1 27 LEU QB 1 28 THR H . . 3.910 3.540 1.853 4.042 0.132 9 0 "[ . 1 . 2]" 1
66 1 27 LEU QB 1 28 THR MG . . 4.660 4.050 2.845 4.692 0.032 15 0 "[ . 1 . 2]" 1
67 1 27 LEU QD 1 28 THR H . . 4.020 3.372 2.109 4.095 0.075 1 0 "[ . 1 . 2]" 1
68 1 27 LEU QD 1 28 THR HA . . 5.440 4.013 2.816 4.520 . 0 0 "[ . 1 . 2]" 1
69 1 27 LEU QD 1 28 THR HB . . 5.440 4.920 3.866 5.477 0.037 15 0 "[ . 1 . 2]" 1
70 1 27 LEU QD 1 28 THR MG . . 3.740 2.951 1.931 3.505 . 0 0 "[ . 1 . 2]" 1
71 1 27 LEU MD1 1 28 THR MG . . 4.450 4.009 2.845 4.635 0.185 15 0 "[ . 1 . 2]" 1
72 1 27 LEU MD2 1 28 THR MG . . 4.450 3.219 1.946 4.583 0.133 8 0 "[ . 1 . 2]" 1
73 1 27 LEU HG 1 28 THR HA . . 5.500 4.081 3.319 5.545 0.045 8 0 "[ . 1 . 2]" 1
74 1 27 LEU HG 1 28 THR MG . . 5.500 3.255 2.014 5.130 . 0 0 "[ . 1 . 2]" 1
75 1 28 THR H 1 28 THR HB . . 4.200 3.699 3.600 3.943 . 0 0 "[ . 1 . 2]" 1
76 1 28 THR H 1 28 THR MG . . 4.120 2.637 1.898 3.826 . 0 0 "[ . 1 . 2]" 1
77 1 28 THR HA 1 28 THR MG . . 3.000 2.348 2.029 3.140 0.140 14 0 "[ . 1 . 2]" 1
78 1 28 THR HA 1 29 SER H . . 3.460 2.547 2.154 3.521 0.061 9 0 "[ . 1 . 2]" 1
79 1 28 THR HA 1 29 SER QB . . 4.400 4.245 3.887 4.403 0.003 2 0 "[ . 1 . 2]" 1
80 1 28 THR HB 1 29 SER H . . 3.940 2.635 1.961 3.725 . 0 0 "[ . 1 . 2]" 1
81 1 28 THR HB 1 29 SER QB . . 4.990 4.218 3.465 5.072 0.082 14 0 "[ . 1 . 2]" 1
82 1 28 THR MG 1 29 SER H . . 4.550 3.686 2.922 4.236 . 0 0 "[ . 1 . 2]" 1
83 1 29 SER H 1 29 SER QB . . 3.580 2.557 2.157 3.240 . 0 0 "[ . 1 . 2]" 1
84 1 29 SER HA 1 30 SER H . . 3.380 2.529 2.146 2.976 . 0 0 "[ . 1 . 2]" 1
85 1 30 SER H 1 30 SER QB . . 3.660 2.683 2.206 3.025 . 0 0 "[ . 1 . 2]" 1
86 1 30 SER H 1 31 VAL H . . 4.550 4.294 2.691 4.552 0.002 2 0 "[ . 1 . 2]" 1
87 1 30 SER HA 1 31 VAL H . . 2.870 2.539 2.165 2.742 . 0 0 "[ . 1 . 2]" 1
88 1 30 SER HA 1 32 GLU H . . 4.510 3.770 3.464 4.494 . 0 0 "[ . 1 . 2]" 1
89 1 30 SER HB2 1 31 VAL H . . 5.190 3.406 1.947 4.609 . 0 0 "[ . 1 . 2]" 1
90 1 30 SER HB3 1 31 VAL H . . 5.190 2.946 2.019 4.352 . 0 0 "[ . 1 . 2]" 1
91 1 31 VAL H 1 31 VAL HB . . 3.980 3.868 3.649 3.962 . 0 0 "[ . 1 . 2]" 1
92 1 31 VAL H 1 31 VAL MG1 . . 3.010 2.543 2.289 2.933 . 0 0 "[ . 1 . 2]" 1
93 1 31 VAL H 1 31 VAL MG2 . . 3.210 2.783 2.071 3.133 . 0 0 "[ . 1 . 2]" 1
94 1 31 VAL H 1 32 GLU H . . 3.310 3.032 2.427 3.285 . 0 0 "[ . 1 . 2]" 1
95 1 31 VAL HA 1 31 VAL MG1 . . 3.610 2.291 2.224 2.419 . 0 0 "[ . 1 . 2]" 1
96 1 31 VAL HA 1 32 GLU H . . 3.150 2.764 2.706 2.886 . 0 0 "[ . 1 . 2]" 1
97 1 31 VAL HA 1 33 SER H . . 5.500 3.259 3.132 3.333 . 0 0 "[ . 1 . 2]" 1
98 1 31 VAL HA 1 34 ASP H . . 5.220 2.809 2.754 2.965 . 0 0 "[ . 1 . 2]" 1
99 1 31 VAL HA 1 34 ASP HA . . 5.500 4.760 4.562 5.012 . 0 0 "[ . 1 . 2]" 1
100 1 31 VAL HA 1 34 ASP HB2 . . 3.470 2.756 2.433 3.169 . 0 0 "[ . 1 . 2]" 1
101 1 31 VAL HA 1 35 LEU H . . 5.410 4.374 3.741 5.039 . 0 0 "[ . 1 . 2]" 1
102 1 31 VAL HB 1 34 ASP H . . 4.350 3.725 3.367 4.126 . 0 0 "[ . 1 . 2]" 1
103 1 31 VAL HB 1 34 ASP HA . . 5.460 5.082 4.570 5.461 0.001 14 0 "[ . 1 . 2]" 1
104 1 31 VAL HB 1 34 ASP HB2 . . 5.140 3.579 3.189 4.111 . 0 0 "[ . 1 . 2]" 1
105 1 31 VAL HB 1 34 ASP HB3 . . 4.370 2.195 1.999 2.520 . 0 0 "[ . 1 . 2]" 1
106 1 31 VAL MG1 1 34 ASP H . . 5.310 4.275 4.104 4.497 . 0 0 "[ . 1 . 2]" 1
107 1 31 VAL MG2 1 32 GLU H . . 4.030 3.749 3.610 3.788 . 0 0 "[ . 1 . 2]" 1
108 1 31 VAL MG2 1 32 GLU HA . . 4.040 3.767 3.622 3.875 . 0 0 "[ . 1 . 2]" 1
109 1 31 VAL MG2 1 33 SER H . . 4.890 4.883 4.783 4.899 0.009 11 0 "[ . 1 . 2]" 1
110 1 32 GLU H 1 32 GLU HB2 . . 3.720 3.613 3.587 3.651 . 0 0 "[ . 1 . 2]" 1
111 1 32 GLU H 1 32 GLU QB . . 2.990 2.574 2.453 2.662 . 0 0 "[ . 1 . 2]" 1
112 1 32 GLU H 1 32 GLU HB3 . . 3.720 2.636 2.495 2.742 . 0 0 "[ . 1 . 2]" 1
113 1 32 GLU H 1 32 GLU QG . . 4.290 2.071 1.924 2.337 . 0 0 "[ . 1 . 2]" 1
114 1 32 GLU H 1 33 SER H . . 3.450 2.470 2.317 2.754 . 0 0 "[ . 1 . 2]" 1
115 1 32 GLU H 1 35 LEU H . . 5.500 5.256 4.931 5.506 0.006 19 0 "[ . 1 . 2]" 1
116 1 32 GLU HA 1 32 GLU QB . . 2.630 2.178 2.173 2.180 . 0 0 "[ . 1 . 2]" 1
117 1 32 GLU HA 1 34 ASP H . . 4.940 4.536 4.260 4.845 . 0 0 "[ . 1 . 2]" 1
118 1 32 GLU HB2 1 33 SER H . . 4.380 3.991 3.643 4.222 . 0 0 "[ . 1 . 2]" 1
119 1 32 GLU HB3 1 33 SER H . . 4.380 4.103 4.005 4.204 . 0 0 "[ . 1 . 2]" 1
120 1 32 GLU QG 1 33 SER H . . 4.310 2.406 1.931 2.769 . 0 0 "[ . 1 . 2]" 1
121 1 32 GLU QG 1 33 SER QB . . 4.630 3.165 2.618 3.594 . 0 0 "[ . 1 . 2]" 1
122 1 32 GLU HG2 1 33 SER HA . . 5.500 4.975 4.323 5.501 0.001 2 0 "[ . 1 . 2]" 1
123 1 32 GLU HG2 1 34 ASP H . . 5.500 4.550 3.634 4.889 . 0 0 "[ . 1 . 2]" 1
124 1 32 GLU HG3 1 33 SER HA . . 5.500 4.044 3.641 5.167 . 0 0 "[ . 1 . 2]" 1
125 1 32 GLU HG3 1 34 ASP H . . 5.500 4.758 4.305 5.382 . 0 0 "[ . 1 . 2]" 1
126 1 33 SER H 1 33 SER HB2 . . 3.940 2.901 2.500 3.684 . 0 0 "[ . 1 . 2]" 1
127 1 33 SER H 1 33 SER QB . . 3.440 2.644 2.417 3.040 . 0 0 "[ . 1 . 2]" 1
128 1 33 SER H 1 33 SER HB3 . . 3.940 3.425 2.507 3.868 . 0 0 "[ . 1 . 2]" 1
129 1 33 SER H 1 34 ASP HA . . 4.550 4.524 4.291 4.574 0.024 2 0 "[ . 1 . 2]" 1
130 1 33 SER H 1 34 ASP HB3 . . 4.370 4.217 3.909 4.370 0.000 15 0 "[ . 1 . 2]" 1
131 1 33 SER H 1 35 LEU H . . 4.160 3.853 3.635 4.163 0.003 16 0 "[ . 1 . 2]" 1
132 1 33 SER HA 1 33 SER QB . . 2.420 2.320 2.183 2.421 0.001 2 0 "[ . 1 . 2]" 1
133 1 33 SER HA 1 34 ASP H . . 3.470 3.387 3.043 3.473 0.003 17 0 "[ . 1 . 2]" 1
134 1 33 SER QB 1 34 ASP H . . 3.780 3.138 2.876 3.684 . 0 0 "[ . 1 . 2]" 1
135 1 33 SER QB 1 34 ASP HA . . 4.500 4.070 3.872 4.297 . 0 0 "[ . 1 . 2]" 1
136 1 33 SER QB 1 34 ASP HB2 . . 5.340 4.674 4.393 5.291 . 0 0 "[ . 1 . 2]" 1
137 1 33 SER QB 1 35 LEU H . . 5.340 4.732 4.545 5.089 . 0 0 "[ . 1 . 2]" 1
138 1 33 SER QB 1 36 ASP QB . . 5.180 3.738 3.243 4.969 . 0 0 "[ . 1 . 2]" 1
139 1 33 SER HB2 1 34 ASP H . . 4.590 3.535 3.004 4.206 . 0 0 "[ . 1 . 2]" 1
140 1 33 SER HB3 1 34 ASP H . . 4.590 3.898 2.937 4.425 . 0 0 "[ . 1 . 2]" 1
141 1 34 ASP H 1 34 ASP HB2 . . 3.470 2.511 2.332 2.902 . 0 0 "[ . 1 . 2]" 1
142 1 34 ASP H 1 34 ASP HB3 . . 3.080 2.579 2.315 2.740 . 0 0 "[ . 1 . 2]" 1
143 1 34 ASP H 1 35 LEU H . . 2.700 2.626 2.261 2.709 0.009 9 0 "[ . 1 . 2]" 1
144 1 34 ASP H 1 35 LEU QB . . 4.550 4.392 3.968 4.549 . 0 0 "[ . 1 . 2]" 1
145 1 34 ASP HB3 1 35 LEU H . . 3.370 2.927 2.488 3.113 . 0 0 "[ . 1 . 2]" 1
146 1 34 ASP HB3 1 35 LEU QD . . 4.380 3.700 2.615 4.380 0.000 15 0 "[ . 1 . 2]" 1
147 1 35 LEU H 1 35 LEU QB . . 2.570 2.169 2.066 2.310 . 0 0 "[ . 1 . 2]" 1
148 1 35 LEU H 1 36 ASP H . . 2.820 2.576 2.246 2.763 . 0 0 "[ . 1 . 2]" 1
149 1 35 LEU HA 1 35 LEU QD . . 3.100 2.257 1.913 2.921 . 0 0 "[ . 1 . 2]" 1
150 1 35 LEU HA 1 38 GLN QB . . 4.380 3.545 2.387 4.374 . 0 0 "[ . 1 . 2]" 1
151 1 35 LEU HA 1 38 GLN QG . . 5.260 4.598 3.135 5.262 0.002 20 0 "[ . 1 . 2]" 1
152 1 35 LEU QB 1 36 ASP H . . 3.990 3.191 2.711 3.602 . 0 0 "[ . 1 . 2]" 1
153 1 35 LEU QD 1 36 ASP H . . 4.740 4.131 3.622 4.512 . 0 0 "[ . 1 . 2]" 1
154 1 35 LEU QD 1 38 GLN H . . 5.270 4.071 3.365 5.106 . 0 0 "[ . 1 . 2]" 1
155 1 35 LEU QD 1 38 GLN QB . . 5.280 2.931 2.121 4.333 . 0 0 "[ . 1 . 2]" 1
156 1 35 LEU QD 1 38 GLN QE . . 2.600 2.369 1.968 2.600 . 0 0 "[ . 1 . 2]" 1
157 1 35 LEU QD 1 38 GLN QG . . 3.790 3.357 1.920 3.791 0.001 15 0 "[ . 1 . 2]" 1
158 1 35 LEU HG 1 38 GLN QE . . 5.340 4.301 2.571 5.321 . 0 0 "[ . 1 . 2]" 1
159 1 36 ASP H 1 36 ASP QB . . 2.390 2.261 2.180 2.399 0.009 6 0 "[ . 1 . 2]" 1
160 1 36 ASP HA 1 39 GLN QB . . 5.340 3.703 2.462 4.369 . 0 0 "[ . 1 . 2]" 1
161 1 36 ASP QB 1 39 GLN H . . 5.340 4.899 4.390 5.340 . 0 0 "[ . 1 . 2]" 1
162 1 36 ASP QB 1 39 GLN QG . . 4.760 4.137 3.415 4.729 . 0 0 "[ . 1 . 2]" 1
163 1 37 MET H 1 37 MET QB . . 2.620 2.278 2.119 2.545 . 0 0 "[ . 1 . 2]" 1
164 1 37 MET H 1 37 MET QG . . 3.840 3.226 1.983 3.909 0.069 18 0 "[ . 1 . 2]" 1
165 1 37 MET HA 1 37 MET QG . . 2.980 2.511 2.140 2.989 0.009 10 0 "[ . 1 . 2]" 1
166 1 37 MET HA 1 38 GLN QB . . 5.340 5.217 5.059 5.341 0.001 2 0 "[ . 1 . 2]" 1
167 1 37 MET HA 1 40 ALA MB . . 4.270 3.134 2.022 4.264 . 0 0 "[ . 1 . 2]" 1
168 1 38 GLN H 1 38 GLN QB . . 2.510 2.169 2.074 2.347 . 0 0 "[ . 1 . 2]" 1
169 1 38 GLN H 1 38 GLN QE . . 5.340 4.169 2.437 5.004 . 0 0 "[ . 1 . 2]" 1
170 1 38 GLN H 1 38 GLN HG2 . . 5.260 4.139 2.592 4.627 . 0 0 "[ . 1 . 2]" 1
171 1 38 GLN H 1 38 GLN QG . . 4.430 3.515 2.487 4.036 . 0 0 "[ . 1 . 2]" 1
172 1 38 GLN H 1 38 GLN HG3 . . 5.260 3.870 2.626 4.533 . 0 0 "[ . 1 . 2]" 1
173 1 38 GLN H 1 41 MET QG . . 5.150 4.939 4.411 5.143 . 0 0 "[ . 1 . 2]" 1
174 1 38 GLN HA 1 38 GLN QG . . 3.630 2.376 2.190 2.682 . 0 0 "[ . 1 . 2]" 1
175 1 38 GLN HA 1 41 MET QG . . 3.650 2.666 2.137 3.168 . 0 0 "[ . 1 . 2]" 1
176 1 38 GLN QB 1 41 MET QG . . 5.180 4.321 3.775 5.033 . 0 0 "[ . 1 . 2]" 1
177 1 38 GLN QE 1 38 GLN QG . . 2.950 2.272 2.070 2.495 . 0 0 "[ . 1 . 2]" 1
178 1 38 GLN QG 1 41 MET QG . . 4.450 3.780 2.836 4.453 0.003 7 0 "[ . 1 . 2]" 1
179 1 39 GLN H 1 39 GLN QB . . 2.880 2.493 2.290 2.654 . 0 0 "[ . 1 . 2]" 1
180 1 39 GLN H 1 39 GLN HE21 . . 3.990 3.473 2.687 4.046 0.056 1 0 "[ . 1 . 2]" 1
181 1 39 GLN H 1 39 GLN HG2 . . 3.830 2.476 1.945 3.533 . 0 0 "[ . 1 . 2]" 1
182 1 39 GLN H 1 39 GLN QG . . 3.140 2.143 1.925 2.511 . 0 0 "[ . 1 . 2]" 1
183 1 39 GLN H 1 39 GLN HG3 . . 3.830 3.098 1.951 3.760 . 0 0 "[ . 1 . 2]" 1
184 1 39 GLN H 1 40 ALA MB . . 4.690 4.263 3.972 4.604 . 0 0 "[ . 1 . 2]" 1
185 1 39 GLN H 1 42 LEU QD . . 5.440 4.701 3.850 5.383 . 0 0 "[ . 1 . 2]" 1
186 1 39 GLN HA 1 42 LEU H . . 4.160 3.307 3.102 3.794 . 0 0 "[ . 1 . 2]" 1
187 1 39 GLN HA 1 42 LEU HB2 . . 3.920 2.945 2.738 3.483 . 0 0 "[ . 1 . 2]" 1
188 1 39 GLN HA 1 42 LEU HB3 . . 5.180 4.615 4.290 5.137 . 0 0 "[ . 1 . 2]" 1
189 1 39 GLN HA 1 42 LEU QD . . 4.170 3.003 2.449 3.697 . 0 0 "[ . 1 . 2]" 1
190 1 39 GLN QB 1 40 ALA H . . 3.490 2.987 2.227 3.508 0.018 3 0 "[ . 1 . 2]" 1
191 1 39 GLN QB 1 43 THR MG . . 4.880 3.503 3.170 3.998 . 0 0 "[ . 1 . 2]" 1
192 1 39 GLN HE21 1 40 ALA H . . 5.260 4.861 2.432 5.280 0.020 1 0 "[ . 1 . 2]" 1
193 1 39 GLN QG 1 40 ALA H . . 4.650 3.595 2.155 4.311 . 0 0 "[ . 1 . 2]" 1
194 1 39 GLN HG2 1 40 ALA H . . 5.460 4.100 2.224 5.054 . 0 0 "[ . 1 . 2]" 1
195 1 39 GLN HG3 1 40 ALA H . . 5.460 4.231 2.281 5.127 . 0 0 "[ . 1 . 2]" 1
196 1 40 ALA H 1 40 ALA MB . . 2.840 2.173 2.054 2.234 . 0 0 "[ . 1 . 2]" 1
197 1 40 ALA H 1 41 MET HA . . 5.220 5.221 5.098 5.242 0.022 10 0 "[ . 1 . 2]" 1
198 1 40 ALA H 1 41 MET QG . . 4.200 3.981 3.760 4.194 . 0 0 "[ . 1 . 2]" 1
199 1 40 ALA H 1 42 LEU H . . 4.560 4.350 4.105 4.502 . 0 0 "[ . 1 . 2]" 1
200 1 40 ALA H 1 42 LEU HB2 . . 5.500 5.444 5.136 5.495 . 0 0 "[ . 1 . 2]" 1
201 1 40 ALA H 1 43 THR MG . . 4.090 3.904 3.825 4.095 0.005 11 0 "[ . 1 . 2]" 1
202 1 40 ALA HA 1 41 MET H . . 3.540 3.460 3.428 3.511 . 0 0 "[ . 1 . 2]" 1
203 1 40 ALA HA 1 42 LEU H . . 4.750 4.447 4.020 4.731 . 0 0 "[ . 1 . 2]" 1
204 1 40 ALA HA 1 43 THR MG . . 3.470 1.954 1.913 2.116 . 0 0 "[ . 1 . 2]" 1
205 1 40 ALA HA 1 44 ASN HA . . 5.500 5.327 4.863 5.500 0.000 12 0 "[ . 1 . 2]" 1
206 1 40 ALA MB 1 41 MET H . . 3.320 2.893 2.697 2.972 . 0 0 "[ . 1 . 2]" 1
207 1 40 ALA MB 1 41 MET HA . . 4.550 3.875 3.772 3.944 . 0 0 "[ . 1 . 2]" 1
208 1 40 ALA MB 1 41 MET HG2 . . 5.380 3.559 3.162 4.003 . 0 0 "[ . 1 . 2]" 1
209 1 40 ALA MB 1 41 MET QG . . 4.560 3.334 3.116 3.556 . 0 0 "[ . 1 . 2]" 1
210 1 40 ALA MB 1 41 MET HG3 . . 5.380 4.383 3.331 5.135 . 0 0 "[ . 1 . 2]" 1
211 1 40 ALA MB 1 42 LEU H . . 4.970 4.734 4.484 4.896 . 0 0 "[ . 1 . 2]" 1
212 1 40 ALA MB 1 43 THR MG . . 3.950 3.271 3.196 3.362 . 0 0 "[ . 1 . 2]" 1
213 1 40 ALA MB 1 44 ASN HA . . 5.500 5.014 4.264 5.490 . 0 0 "[ . 1 . 2]" 1
214 1 41 MET H 1 41 MET HB2 . . 2.820 2.531 2.412 2.657 . 0 0 "[ . 1 . 2]" 1
215 1 41 MET H 1 41 MET QG . . 3.680 2.244 1.976 2.511 . 0 0 "[ . 1 . 2]" 1
216 1 41 MET H 1 42 LEU HB2 . . 4.760 4.428 4.259 4.710 . 0 0 "[ . 1 . 2]" 1
217 1 41 MET H 1 42 LEU QD . . 4.150 3.714 3.384 4.117 . 0 0 "[ . 1 . 2]" 1
218 1 41 MET HA 1 41 MET QG . . 3.690 2.691 2.326 3.116 . 0 0 "[ . 1 . 2]" 1
219 1 41 MET HA 1 42 LEU QD . . 5.440 4.451 4.299 4.693 . 0 0 "[ . 1 . 2]" 1
220 1 41 MET HB2 1 42 LEU H . . 3.240 2.599 2.372 2.971 . 0 0 "[ . 1 . 2]" 1
221 1 41 MET HB2 1 42 LEU QD . . 2.760 2.536 2.319 2.760 . 11 0 "[ . 1 . 2]" 1
222 1 41 MET HB2 1 43 THR H . . 5.050 4.722 4.605 4.875 . 0 0 "[ . 1 . 2]" 1
223 1 41 MET HB2 1 43 THR MG . . 5.500 5.491 5.435 5.511 0.011 4 0 "[ . 1 . 2]" 1
224 1 41 MET ME 1 42 LEU QD . . 5.410 4.859 4.184 5.408 . 0 0 "[ . 1 . 2]" 1
225 1 41 MET QG 1 42 LEU H . . 4.580 3.928 3.733 4.152 . 0 0 "[ . 1 . 2]" 1
226 1 42 LEU H 1 42 LEU HB2 . . 2.680 2.207 2.121 2.330 . 0 0 "[ . 1 . 2]" 1
227 1 42 LEU H 1 42 LEU QD . . 3.280 2.220 1.934 2.560 . 0 0 "[ . 1 . 2]" 1
228 1 42 LEU H 1 43 THR MG . . 4.240 3.707 3.224 3.972 . 0 0 "[ . 1 . 2]" 1
229 1 42 LEU HA 1 42 LEU MD1 . . 4.440 2.548 2.060 3.113 . 0 0 "[ . 1 . 2]" 1
230 1 42 LEU HA 1 42 LEU QD . . 3.520 2.453 1.970 2.944 . 0 0 "[ . 1 . 2]" 1
231 1 42 LEU HA 1 42 LEU MD2 . . 4.440 3.336 2.322 3.802 . 0 0 "[ . 1 . 2]" 1
232 1 42 LEU HA 1 42 LEU HG . . 3.890 2.806 2.315 3.702 . 0 0 "[ . 1 . 2]" 1
233 1 42 LEU HA 1 43 THR MG . . 5.400 4.931 4.500 5.108 . 0 0 "[ . 1 . 2]" 1
234 1 42 LEU HA 1 44 ASN QB . . 5.340 4.890 4.290 5.348 0.008 11 0 "[ . 1 . 2]" 1
235 1 42 LEU HB2 1 43 THR H . . 3.770 3.272 2.920 3.778 0.008 15 0 "[ . 1 . 2]" 1
236 1 42 LEU HB2 1 43 THR HA . . 5.500 4.989 4.630 5.324 . 0 0 "[ . 1 . 2]" 1
237 1 42 LEU HB2 1 43 THR MG . . 4.380 4.092 3.477 4.373 . 0 0 "[ . 1 . 2]" 1
238 1 42 LEU HB3 1 42 LEU QD . . 2.840 2.193 2.026 2.321 . 0 0 "[ . 1 . 2]" 1
239 1 42 LEU HB3 1 43 THR H . . 4.060 3.805 3.516 4.068 0.008 15 0 "[ . 1 . 2]" 1
240 1 42 LEU HB3 1 43 THR HA . . 5.500 4.438 4.229 4.602 . 0 0 "[ . 1 . 2]" 1
241 1 42 LEU QD 1 43 THR H . . 4.420 3.988 3.823 4.194 . 0 0 "[ . 1 . 2]" 1
242 1 43 THR H 1 43 THR HB . . 3.480 3.102 2.755 3.524 0.044 11 0 "[ . 1 . 2]" 1
243 1 43 THR H 1 43 THR MG . . 3.280 1.987 1.876 2.099 . 0 0 "[ . 1 . 2]" 1
244 1 43 THR H 1 44 ASN H . . 3.690 2.919 2.073 3.405 . 0 0 "[ . 1 . 2]" 1
245 1 43 THR H 1 44 ASN QB . . 4.490 4.337 3.747 4.493 0.003 13 0 "[ . 1 . 2]" 1
246 1 43 THR HA 1 43 THR MG . . 3.460 3.188 3.104 3.200 . 0 0 "[ . 1 . 2]" 1
247 1 43 THR HA 1 44 ASN HB2 . . 5.500 4.997 4.258 5.480 . 0 0 "[ . 1 . 2]" 1
248 1 43 THR HA 1 44 ASN QB . . 4.840 4.479 3.978 4.846 0.006 12 0 "[ . 1 . 2]" 1
249 1 43 THR HA 1 44 ASN HB3 . . 5.500 5.106 4.596 5.435 . 0 0 "[ . 1 . 2]" 1
250 1 43 THR HB 1 44 ASN H . . 4.670 4.557 3.728 4.663 . 0 0 "[ . 1 . 2]" 1
251 1 43 THR MG 1 44 ASN H . . 4.030 3.618 1.860 4.039 0.009 2 0 "[ . 1 . 2]" 1
252 1 43 THR MG 1 44 ASN HA . . 4.420 3.985 3.634 4.273 . 0 0 "[ . 1 . 2]" 1
253 1 44 ASN H 1 44 ASN QB . . 3.360 2.289 2.105 2.965 . 0 0 "[ . 1 . 2]" 1
254 1 44 ASN H 1 45 LYS H . . 4.460 4.111 1.920 4.487 0.027 1 0 "[ . 1 . 2]" 1
255 1 44 ASN HA 1 45 LYS H . . 3.250 2.372 2.138 3.256 0.006 9 0 "[ . 1 . 2]" 1
256 1 44 ASN HA 1 45 LYS QB . . 5.340 4.422 4.155 5.125 . 0 0 "[ . 1 . 2]" 1
257 1 44 ASN HA 1 45 LYS HD2 . . 5.500 3.974 2.978 5.312 . 0 0 "[ . 1 . 2]" 1
258 1 44 ASN HA 1 45 LYS HD3 . . 5.500 4.363 3.374 5.508 0.008 17 0 "[ . 1 . 2]" 1
259 1 44 ASN HA 1 45 LYS QE . . 5.340 4.452 2.743 5.470 0.130 11 0 "[ . 1 . 2]" 1
260 1 44 ASN QB 1 44 ASN QD . . 3.070 2.350 2.074 2.554 . 0 0 "[ . 1 . 2]" 1
261 1 44 ASN HB2 1 45 LYS H . . 4.620 4.294 3.634 4.551 . 0 0 "[ . 1 . 2]" 1
262 1 44 ASN HB3 1 45 LYS H . . 4.620 3.831 2.431 4.480 . 0 0 "[ . 1 . 2]" 1
263 1 44 ASN QD 1 45 LYS QB . . 5.180 4.820 3.889 5.189 0.009 17 0 "[ . 1 . 2]" 1
264 1 45 LYS H 1 45 LYS HB2 . . 3.870 2.882 2.216 3.890 0.020 17 0 "[ . 1 . 2]" 1
265 1 45 LYS H 1 45 LYS QB . . 3.350 2.425 2.152 3.282 . 0 0 "[ . 1 . 2]" 1
266 1 45 LYS H 1 45 LYS HB3 . . 3.870 3.197 2.172 3.683 . 0 0 "[ . 1 . 2]" 1
267 1 45 LYS H 1 45 LYS HD2 . . 4.160 2.669 1.951 3.869 . 0 0 "[ . 1 . 2]" 1
268 1 45 LYS H 1 45 LYS QD . . 3.590 2.162 1.900 2.612 . 0 0 "[ . 1 . 2]" 1
269 1 45 LYS H 1 45 LYS HD3 . . 4.160 2.873 1.987 3.989 . 0 0 "[ . 1 . 2]" 1
270 1 45 LYS H 1 45 LYS HE2 . . 5.410 4.016 1.939 5.071 . 0 0 "[ . 1 . 2]" 1
271 1 45 LYS H 1 45 LYS QE . . 4.610 3.432 1.904 4.358 . 0 0 "[ . 1 . 2]" 1
272 1 45 LYS H 1 45 LYS HE3 . . 5.410 3.956 1.935 5.033 . 0 0 "[ . 1 . 2]" 1
273 1 45 LYS H 1 45 LYS HG2 . . 4.280 3.659 2.047 4.306 0.026 8 0 "[ . 1 . 2]" 1
274 1 45 LYS H 1 45 LYS QG . . 3.710 3.110 2.035 3.650 . 0 0 "[ . 1 . 2]" 1
275 1 45 LYS H 1 45 LYS HG3 . . 4.280 3.640 3.071 4.056 . 0 0 "[ . 1 . 2]" 1
276 1 45 LYS HA 1 45 LYS HE2 . . 5.500 4.827 2.796 5.550 0.050 9 0 "[ . 1 . 2]" 1
277 1 45 LYS HA 1 45 LYS HE3 . . 5.500 4.844 2.003 5.544 0.044 9 0 "[ . 1 . 2]" 1
278 1 45 LYS HA 1 45 LYS QG . . 3.540 2.772 2.186 3.430 . 0 0 "[ . 1 . 2]" 1
279 1 45 LYS HA 1 46 ASP H . . 3.140 2.476 2.208 3.565 0.425 11 0 "[ . 1 . 2]" 1
280 1 45 LYS HA 1 67 MET ME . . 4.470 3.151 2.646 4.578 0.108 11 0 "[ . 1 . 2]" 1
281 1 45 LYS QB 1 46 ASP H . . 3.290 2.435 1.918 2.956 . 0 0 "[ . 1 . 2]" 1
282 1 45 LYS QB 1 49 VAL MG2 . . 5.340 3.916 2.406 5.144 . 0 0 "[ . 1 . 2]" 1
283 1 45 LYS QB 1 67 MET ME . . 4.410 3.261 1.939 4.383 . 0 0 "[ . 1 . 2]" 1
284 1 45 LYS QE 1 45 LYS QG . . 3.180 2.256 2.038 2.701 . 0 0 "[ . 1 . 2]" 1
285 1 45 LYS QG 1 46 ASP H . . 3.970 3.395 2.529 3.941 . 0 0 "[ . 1 . 2]" 1
286 1 45 LYS QG 1 49 VAL MG1 . . 4.260 3.809 3.213 4.265 0.005 16 0 "[ . 1 . 2]" 1
287 1 45 LYS QG 1 49 VAL MG2 . . 5.340 4.454 3.460 5.110 . 0 0 "[ . 1 . 2]" 1
288 1 45 LYS HG2 1 46 ASP H . . 4.780 3.934 2.564 4.745 . 0 0 "[ . 1 . 2]" 1
289 1 45 LYS HG2 1 49 VAL MG1 . . 5.120 4.578 3.566 5.138 0.018 17 0 "[ . 1 . 2]" 1
290 1 45 LYS HG3 1 46 ASP H . . 4.780 3.936 3.520 4.452 . 0 0 "[ . 1 . 2]" 1
291 1 45 LYS HG3 1 49 VAL MG1 . . 5.120 4.129 3.416 4.921 . 0 0 "[ . 1 . 2]" 1
292 1 46 ASP H 1 46 ASP QB . . 3.070 2.666 2.433 2.870 . 0 0 "[ . 1 . 2]" 1
293 1 46 ASP H 1 47 GLU H . . 4.530 4.409 4.358 4.485 . 0 0 "[ . 1 . 2]" 1
294 1 46 ASP H 1 47 GLU HA . . 5.190 5.021 4.901 5.146 . 0 0 "[ . 1 . 2]" 1
295 1 46 ASP H 1 48 LYS QD . . 5.160 4.852 4.290 5.176 0.016 10 0 "[ . 1 . 2]" 1
296 1 46 ASP H 1 48 LYS QG . . 5.120 4.869 4.564 5.139 0.019 11 0 "[ . 1 . 2]" 1
297 1 46 ASP H 1 49 VAL H . . 3.980 3.720 3.446 4.003 0.023 11 0 "[ . 1 . 2]" 1
298 1 46 ASP H 1 49 VAL HB . . 3.690 2.220 1.933 2.664 . 0 0 "[ . 1 . 2]" 1
299 1 46 ASP H 1 49 VAL MG1 . . 4.120 3.255 3.078 3.552 . 0 0 "[ . 1 . 2]" 1
300 1 46 ASP H 1 49 VAL MG2 . . 3.550 2.354 1.945 3.403 . 0 0 "[ . 1 . 2]" 1
301 1 46 ASP HA 1 47 GLU H . . 2.920 2.483 2.262 2.616 . 0 0 "[ . 1 . 2]" 1
302 1 46 ASP HA 1 48 LYS H . . 4.930 4.571 4.359 4.837 . 0 0 "[ . 1 . 2]" 1
303 1 46 ASP HA 1 49 VAL H . . 4.680 4.620 4.527 4.691 0.011 5 0 "[ . 1 . 2]" 1
304 1 46 ASP HA 1 49 VAL MG2 . . 5.300 4.068 3.819 4.907 . 0 0 "[ . 1 . 2]" 1
305 1 46 ASP QB 1 47 GLU H . . 4.000 2.390 1.976 2.817 . 0 0 "[ . 1 . 2]" 1
306 1 46 ASP QB 1 48 LYS H . . 4.020 2.767 2.629 3.057 . 0 0 "[ . 1 . 2]" 1
307 1 46 ASP QB 1 49 VAL H . . 3.000 2.608 2.364 2.873 . 0 0 "[ . 1 . 2]" 1
308 1 46 ASP QB 1 49 VAL HB . . 3.530 3.244 2.924 3.428 . 0 0 "[ . 1 . 2]" 1
309 1 46 ASP QB 1 49 VAL MG1 . . 4.210 4.209 4.098 4.265 0.055 11 0 "[ . 1 . 2]" 1
310 1 46 ASP QB 1 49 VAL MG2 . . 3.580 1.962 1.884 2.406 . 0 0 "[ . 1 . 2]" 1
311 1 46 ASP HB2 1 47 GLU H . . 4.840 3.683 3.374 4.028 . 0 0 "[ . 1 . 2]" 1
312 1 46 ASP HB2 1 48 LYS H . . 4.700 3.935 3.266 4.677 . 0 0 "[ . 1 . 2]" 1
313 1 46 ASP HB3 1 47 GLU H . . 4.840 2.425 1.989 2.889 . 0 0 "[ . 1 . 2]" 1
314 1 46 ASP HB3 1 48 LYS H . . 4.700 2.863 2.651 3.273 . 0 0 "[ . 1 . 2]" 1
315 1 47 GLU H 1 47 GLU QB . . 2.870 2.573 2.468 2.624 . 0 0 "[ . 1 . 2]" 1
316 1 47 GLU H 1 47 GLU HG2 . . 3.810 2.072 1.930 3.017 . 0 0 "[ . 1 . 2]" 1
317 1 47 GLU H 1 47 GLU HG3 . . 3.810 3.241 1.992 3.619 . 0 0 "[ . 1 . 2]" 1
318 1 47 GLU H 1 48 LYS H . . 3.390 2.650 2.571 2.785 . 0 0 "[ . 1 . 2]" 1
319 1 47 GLU H 1 48 LYS QD . . 4.920 3.887 3.040 4.927 0.007 13 0 "[ . 1 . 2]" 1
320 1 47 GLU H 1 49 VAL H . . 4.270 3.944 3.845 4.085 . 0 0 "[ . 1 . 2]" 1
321 1 47 GLU H 1 50 LEU H . . 5.480 5.097 4.811 5.233 . 0 0 "[ . 1 . 2]" 1
322 1 47 GLU H 1 50 LEU MD1 . . 4.810 4.619 3.867 4.814 0.004 5 0 "[ . 1 . 2]" 1
323 1 47 GLU HA 1 47 GLU QG . . 3.470 3.220 2.477 3.341 . 0 0 "[ . 1 . 2]" 1
324 1 47 GLU HA 1 49 VAL H . . 4.440 4.178 3.935 4.307 . 0 0 "[ . 1 . 2]" 1
325 1 47 GLU HA 1 50 LEU MD1 . . 2.950 2.209 1.975 2.547 . 0 0 "[ . 1 . 2]" 1
326 1 47 GLU HA 1 50 LEU HG . . 3.460 2.664 2.259 3.008 . 0 0 "[ . 1 . 2]" 1
327 1 47 GLU QB 1 50 LEU MD1 . . 4.770 3.313 2.958 3.612 . 0 0 "[ . 1 . 2]" 1
328 1 47 GLU HB2 1 50 LEU MD1 . . 5.470 3.807 3.162 4.868 . 0 0 "[ . 1 . 2]" 1
329 1 47 GLU HB3 1 50 LEU MD1 . . 5.470 3.778 3.015 4.183 . 0 0 "[ . 1 . 2]" 1
330 1 47 GLU QG 1 48 LYS H . . 3.870 2.341 1.891 3.857 . 0 0 "[ . 1 . 2]" 1
331 1 48 LYS H 1 48 LYS QB . . 3.430 2.624 2.557 2.645 . 0 0 "[ . 1 . 2]" 1
332 1 48 LYS H 1 48 LYS QD . . 3.170 2.659 1.956 3.434 0.264 3 0 "[ . 1 . 2]" 1
333 1 48 LYS H 1 48 LYS QE . . 5.170 4.293 3.970 4.832 . 0 0 "[ . 1 . 2]" 1
334 1 48 LYS H 1 48 LYS QG . . 2.860 2.135 1.780 2.545 . 0 0 "[ . 1 . 2]" 1
335 1 48 LYS H 1 49 VAL H . . 3.050 2.613 2.517 2.766 . 0 0 "[ . 1 . 2]" 1
336 1 48 LYS H 1 50 LEU HG . . 5.250 4.909 4.467 5.262 0.012 7 0 "[ . 1 . 2]" 1
337 1 48 LYS H 1 51 LYS H . . 5.500 5.297 5.032 5.417 . 0 0 "[ . 1 . 2]" 1
338 1 48 LYS HA 1 48 LYS HD2 . . 4.630 4.178 3.892 4.488 . 0 0 "[ . 1 . 2]" 1
339 1 48 LYS HA 1 48 LYS HD3 . . 4.630 4.339 3.997 4.639 0.009 19 0 "[ . 1 . 2]" 1
340 1 48 LYS HA 1 51 LYS QB . . 3.910 3.645 2.739 3.913 0.003 3 0 "[ . 1 . 2]" 1
341 1 48 LYS HA 1 51 LYS HG2 . . 5.070 3.188 2.521 4.160 . 0 0 "[ . 1 . 2]" 1
342 1 48 LYS HA 1 51 LYS QG . . 4.300 2.531 2.006 3.725 . 0 0 "[ . 1 . 2]" 1
343 1 48 LYS HA 1 51 LYS HG3 . . 5.070 2.817 2.019 5.113 0.043 17 0 "[ . 1 . 2]" 1
344 1 48 LYS QB 1 48 LYS QD . . 3.310 2.001 1.952 2.080 . 0 0 "[ . 1 . 2]" 1
345 1 48 LYS QB 1 48 LYS QE . . 4.240 3.333 3.008 3.651 . 0 0 "[ . 1 . 2]" 1
346 1 48 LYS QB 1 49 VAL H . . 3.760 3.479 3.464 3.494 . 0 0 "[ . 1 . 2]" 1
347 1 48 LYS QB 1 81 TRP HE1 . . 4.380 3.523 3.085 4.385 0.005 11 0 "[ . 1 . 2]" 1
348 1 48 LYS HB2 1 49 VAL H . . 4.360 3.761 3.716 3.781 . 0 0 "[ . 1 . 2]" 1
349 1 48 LYS HB3 1 49 VAL H . . 4.360 4.100 4.071 4.158 . 0 0 "[ . 1 . 2]" 1
350 1 48 LYS QD 1 49 VAL H . . 3.290 2.779 2.047 3.327 0.037 15 0 "[ . 1 . 2]" 1
351 1 48 LYS QD 1 50 LEU H . . 5.340 4.938 4.211 5.432 0.092 17 0 "[ . 1 . 2]" 1
352 1 48 LYS QD 1 81 TRP HZ2 . . 4.750 3.478 2.044 4.681 . 0 0 "[ . 1 . 2]" 1
353 1 48 LYS HD2 1 81 TRP HE1 . . 4.560 4.306 3.936 4.570 0.010 6 0 "[ . 1 . 2]" 1
354 1 48 LYS HD3 1 81 TRP HE1 . . 4.560 3.765 2.606 4.578 0.018 15 0 "[ . 1 . 2]" 1
355 1 48 LYS QE 1 48 LYS QG . . 3.160 2.156 1.945 2.397 . 0 0 "[ . 1 . 2]" 1
356 1 48 LYS QE 1 74 LEU QD . . 5.280 3.847 2.831 4.212 . 0 0 "[ . 1 . 2]" 1
357 1 48 LYS QE 1 81 TRP HE1 . . 3.630 2.467 1.902 3.119 . 0 0 "[ . 1 . 2]" 1
358 1 48 LYS HE2 1 81 TRP HE1 . . 4.130 3.405 2.161 4.174 0.044 16 0 "[ . 1 . 2]" 1
359 1 48 LYS HE3 1 81 TRP HE1 . . 4.130 2.696 2.109 3.537 . 0 0 "[ . 1 . 2]" 1
360 1 48 LYS QG 1 49 VAL H . . 3.660 2.218 1.943 2.662 . 0 0 "[ . 1 . 2]" 1
361 1 48 LYS QG 1 50 LEU H . . 5.020 4.585 4.366 4.878 . 0 0 "[ . 1 . 2]" 1
362 1 49 VAL H 1 49 VAL HB . . 2.560 2.468 2.286 2.568 0.008 17 0 "[ . 1 . 2]" 1
363 1 49 VAL H 1 49 VAL MG2 . . 2.990 2.305 1.983 2.794 . 0 0 "[ . 1 . 2]" 1
364 1 49 VAL H 1 50 LEU H . . 3.050 2.662 2.461 2.724 . 0 0 "[ . 1 . 2]" 1
365 1 49 VAL H 1 50 LEU HG . . 4.040 4.000 3.859 4.045 0.005 13 0 "[ . 1 . 2]" 1
366 1 49 VAL H 1 51 LYS H . . 4.370 4.161 3.861 4.258 . 0 0 "[ . 1 . 2]" 1
367 1 49 VAL H 1 81 TRP HH2 . . 4.930 4.772 4.430 5.032 0.102 11 0 "[ . 1 . 2]" 1
368 1 49 VAL HA 1 49 VAL MG1 . . 2.540 2.393 2.329 2.532 . 0 0 "[ . 1 . 2]" 1
369 1 49 VAL HA 1 49 VAL MG2 . . 3.330 2.283 2.107 2.431 . 0 0 "[ . 1 . 2]" 1
370 1 49 VAL HA 1 52 ALA H . . 3.740 3.549 3.328 3.744 0.004 11 0 "[ . 1 . 2]" 1
371 1 49 VAL HA 1 52 ALA MB . . 3.670 3.219 2.818 3.574 . 0 0 "[ . 1 . 2]" 1
372 1 49 VAL HA 1 67 MET ME . . 5.270 4.896 4.586 5.288 0.018 18 0 "[ . 1 . 2]" 1
373 1 49 VAL HA 1 81 TRP HH2 . . 3.630 2.209 2.003 2.378 . 0 0 "[ . 1 . 2]" 1
374 1 49 VAL HA 1 81 TRP HZ2 . . 4.000 2.876 2.521 3.328 . 0 0 "[ . 1 . 2]" 1
375 1 49 VAL HB 1 50 LEU H . . 3.170 2.865 2.711 2.953 . 0 0 "[ . 1 . 2]" 1
376 1 49 VAL HB 1 67 MET ME . . 4.600 3.749 3.416 4.245 . 0 0 "[ . 1 . 2]" 1
377 1 49 VAL HB 1 81 TRP HZ2 . . 5.500 4.993 4.588 5.171 . 0 0 "[ . 1 . 2]" 1
378 1 49 VAL MG1 1 50 LEU H . . 3.670 3.533 3.110 3.694 0.024 9 0 "[ . 1 . 2]" 1
379 1 49 VAL MG1 1 52 ALA H . . 4.490 4.076 3.858 4.253 . 0 0 "[ . 1 . 2]" 1
380 1 49 VAL MG1 1 52 ALA MB . . 3.660 3.151 2.960 3.424 . 0 0 "[ . 1 . 2]" 1
381 1 49 VAL MG1 1 67 MET HB3 . . 5.500 5.296 4.639 5.524 0.024 12 0 "[ . 1 . 2]" 1
382 1 49 VAL MG1 1 67 MET ME . . 3.340 1.959 1.764 2.304 . 0 0 "[ . 1 . 2]" 1
383 1 49 VAL MG1 1 70 LEU QD . . 2.760 1.641 1.580 1.683 . 0 0 "[ . 1 . 2]" 1
384 1 49 VAL MG1 1 81 TRP HH2 . . 3.770 3.251 2.877 3.617 . 0 0 "[ . 1 . 2]" 1
385 1 49 VAL MG1 1 81 TRP HZ2 . . 5.200 4.203 3.936 4.384 . 0 0 "[ . 1 . 2]" 1
386 1 49 VAL MG2 1 50 LEU H . . 4.310 3.993 3.894 4.075 . 0 0 "[ . 1 . 2]" 1
387 1 49 VAL MG2 1 50 LEU HG . . 5.310 4.946 4.719 5.212 . 0 0 "[ . 1 . 2]" 1
388 1 49 VAL MG2 1 51 LYS H . . 5.500 5.212 5.095 5.349 . 0 0 "[ . 1 . 2]" 1
389 1 49 VAL MG2 1 67 MET ME . . 3.730 3.187 2.830 3.463 . 0 0 "[ . 1 . 2]" 1
390 1 49 VAL MG2 1 70 LEU QD . . 3.210 2.285 2.032 2.747 . 0 0 "[ . 1 . 2]" 1
391 1 49 VAL MG2 1 70 LEU HG . . 5.500 4.702 4.330 5.119 . 0 0 "[ . 1 . 2]" 1
392 1 49 VAL MG2 1 74 LEU MD1 . . 5.150 4.667 2.946 5.166 0.016 15 0 "[ . 1 . 2]" 1
393 1 49 VAL MG2 1 74 LEU QD . . 3.990 3.703 2.883 4.000 0.010 1 0 "[ . 1 . 2]" 1
394 1 49 VAL MG2 1 74 LEU MD2 . . 5.150 4.040 3.543 4.545 . 0 0 "[ . 1 . 2]" 1
395 1 49 VAL MG2 1 81 TRP HE1 . . 4.460 4.404 3.979 4.500 0.040 8 0 "[ . 1 . 2]" 1
396 1 49 VAL MG2 1 81 TRP HH2 . . 3.670 3.217 2.934 3.576 . 0 0 "[ . 1 . 2]" 1
397 1 49 VAL MG2 1 81 TRP HZ2 . . 3.610 2.424 1.976 2.629 . 0 0 "[ . 1 . 2]" 1
398 1 50 LEU H 1 50 LEU HB2 . . 2.980 2.625 2.574 2.750 . 0 0 "[ . 1 . 2]" 1
399 1 50 LEU H 1 50 LEU HG . . 2.820 2.032 1.947 2.119 . 0 0 "[ . 1 . 2]" 1
400 1 50 LEU H 1 51 LYS H . . 3.100 2.618 2.533 2.765 . 0 0 "[ . 1 . 2]" 1
401 1 50 LEU H 1 51 LYS QB . . 5.090 4.646 4.281 4.788 . 0 0 "[ . 1 . 2]" 1
402 1 50 LEU H 1 52 ALA H . . 4.320 4.321 4.191 4.359 0.039 18 0 "[ . 1 . 2]" 1
403 1 50 LEU H 1 52 ALA MB . . 5.100 5.075 4.848 5.131 0.031 8 0 "[ . 1 . 2]" 1
404 1 50 LEU H 1 70 LEU QD . . 5.440 4.818 4.549 5.067 . 0 0 "[ . 1 . 2]" 1
405 1 50 LEU HA 1 50 LEU HG . . 3.820 3.199 3.073 3.460 . 0 0 "[ . 1 . 2]" 1
406 1 50 LEU HA 1 52 ALA H . . 4.260 4.058 3.775 4.267 0.007 2 0 "[ . 1 . 2]" 1
407 1 50 LEU HA 1 53 LEU H . . 3.700 3.313 3.081 3.729 0.029 17 0 "[ . 1 . 2]" 1
408 1 50 LEU HA 1 53 LEU HB2 . . 4.090 3.168 2.894 3.671 . 0 0 "[ . 1 . 2]" 1
409 1 50 LEU HA 1 53 LEU HB3 . . 5.500 4.607 4.368 5.208 . 0 0 "[ . 1 . 2]" 1
410 1 50 LEU HB2 1 50 LEU MD1 . . 2.770 2.257 2.091 2.421 . 0 0 "[ . 1 . 2]" 1
411 1 50 LEU HB2 1 51 LYS H . . 3.140 2.914 2.742 3.060 . 0 0 "[ . 1 . 2]" 1
412 1 50 LEU HB3 1 50 LEU MD1 . . 2.960 2.403 2.255 2.558 . 0 0 "[ . 1 . 2]" 1
413 1 50 LEU HB3 1 50 LEU MD2 . . 3.120 2.298 2.166 2.439 . 0 0 "[ . 1 . 2]" 1
414 1 50 LEU HB3 1 53 LEU H . . 5.500 5.062 4.667 5.444 . 0 0 "[ . 1 . 2]" 1
415 1 50 LEU HB3 1 53 LEU QD . . 5.440 3.457 2.865 3.951 . 0 0 "[ . 1 . 2]" 1
416 1 51 LYS H 1 51 LYS QB . . 2.610 2.421 2.168 2.506 . 0 0 "[ . 1 . 2]" 1
417 1 51 LYS H 1 51 LYS QE . . 5.340 4.561 3.577 5.210 . 0 0 "[ . 1 . 2]" 1
418 1 51 LYS H 1 51 LYS QG . . 2.840 2.296 2.056 2.928 0.088 17 0 "[ . 1 . 2]" 1
419 1 51 LYS H 1 52 ALA H . . 3.140 2.653 2.449 2.793 . 0 0 "[ . 1 . 2]" 1
420 1 51 LYS H 1 52 ALA HA . . 5.500 5.261 5.065 5.383 . 0 0 "[ . 1 . 2]" 1
421 1 51 LYS H 1 53 LEU HB2 . . 5.500 5.416 5.284 5.536 0.036 1 0 "[ . 1 . 2]" 1
422 1 51 LYS H 1 54 GLU H . . 5.500 5.087 4.916 5.275 . 0 0 "[ . 1 . 2]" 1
423 1 51 LYS HA 1 51 LYS QE . . 4.460 3.759 2.034 4.485 0.025 17 0 "[ . 1 . 2]" 1
424 1 51 LYS HA 1 51 LYS QG . . 3.160 2.638 2.277 3.200 0.040 17 0 "[ . 1 . 2]" 1
425 1 51 LYS HA 1 54 GLU H . . 3.690 3.614 3.354 3.704 0.014 5 0 "[ . 1 . 2]" 1
426 1 51 LYS HA 1 54 GLU HG2 . . 3.730 2.744 1.989 3.746 0.016 13 0 "[ . 1 . 2]" 1
427 1 51 LYS HA 1 54 GLU QG . . 3.160 2.142 1.927 2.964 . 0 0 "[ . 1 . 2]" 1
428 1 51 LYS HA 1 54 GLU HG3 . . 3.730 2.521 1.992 3.792 0.062 19 0 "[ . 1 . 2]" 1
429 1 51 LYS QB 1 51 LYS QD . . 3.050 2.225 1.971 2.733 . 0 0 "[ . 1 . 2]" 1
430 1 51 LYS QB 1 52 ALA H . . 3.190 2.705 2.549 3.345 0.155 17 0 "[ . 1 . 2]" 1
431 1 51 LYS QB 1 52 ALA HA . . 4.520 3.942 3.868 4.687 0.167 17 0 "[ . 1 . 2]" 1
432 1 51 LYS HB2 1 89 TYR HE2 . . 5.500 4.222 3.765 4.866 . 0 0 "[ . 1 . 2]" 1
433 1 51 LYS HB3 1 89 TYR HE2 . . 5.500 3.642 2.924 5.498 . 0 0 "[ . 1 . 2]" 1
434 1 51 LYS QD 1 54 GLU QG . . 4.900 3.837 3.122 5.000 0.100 17 0 "[ . 1 . 2]" 1
435 1 51 LYS QE 1 54 GLU QG . . 5.180 4.545 2.342 5.172 . 0 0 "[ . 1 . 2]" 1
436 1 51 LYS QG 1 52 ALA H . . 4.400 4.005 2.246 4.239 . 0 0 "[ . 1 . 2]" 1
437 1 52 ALA H 1 52 ALA MB . . 2.830 2.051 2.027 2.098 . 0 0 "[ . 1 . 2]" 1
438 1 52 ALA H 1 53 LEU H . . 2.960 2.619 2.469 2.715 . 0 0 "[ . 1 . 2]" 1
439 1 52 ALA H 1 54 GLU H . . 4.120 3.953 3.876 4.086 . 0 0 "[ . 1 . 2]" 1
440 1 52 ALA H 1 70 LEU HB2 . . 5.500 5.414 5.211 5.514 0.014 4 0 "[ . 1 . 2]" 1
441 1 52 ALA H 1 70 LEU QD . . 4.900 3.949 3.644 4.138 . 0 0 "[ . 1 . 2]" 1
442 1 52 ALA H 1 81 TRP HH2 . . 4.690 3.841 3.156 4.134 . 0 0 "[ . 1 . 2]" 1
443 1 52 ALA H 1 81 TRP HZ3 . . 4.440 3.600 3.447 4.066 . 0 0 "[ . 1 . 2]" 1
444 1 52 ALA H 1 89 TYR HE2 . . 5.370 4.244 4.003 4.497 . 0 0 "[ . 1 . 2]" 1
445 1 52 ALA HA 1 55 ARG H . . 3.980 3.568 3.481 3.718 . 0 0 "[ . 1 . 2]" 1
446 1 52 ALA HA 1 55 ARG HB3 . . 4.830 3.649 3.480 3.928 . 0 0 "[ . 1 . 2]" 1
447 1 52 ALA HA 1 56 THR H . . 5.350 4.694 4.576 4.851 . 0 0 "[ . 1 . 2]" 1
448 1 52 ALA HA 1 89 TYR HD2 . . 4.300 2.772 2.527 3.040 . 0 0 "[ . 1 . 2]" 1
449 1 52 ALA HA 1 89 TYR HE2 . . 4.010 2.405 2.295 2.553 . 0 0 "[ . 1 . 2]" 1
450 1 52 ALA HA 1 92 LEU MD2 . . 4.960 4.166 3.876 4.406 . 0 0 "[ . 1 . 2]" 1
451 1 52 ALA MB 1 53 LEU H . . 3.120 2.706 2.628 2.912 . 0 0 "[ . 1 . 2]" 1
452 1 52 ALA MB 1 53 LEU HA . . 5.230 3.721 3.676 3.818 . 0 0 "[ . 1 . 2]" 1
453 1 52 ALA MB 1 53 LEU MD1 . . 5.500 4.656 4.377 4.773 . 0 0 "[ . 1 . 2]" 1
454 1 52 ALA MB 1 53 LEU QD . . 4.770 3.376 3.074 3.822 . 0 0 "[ . 1 . 2]" 1
455 1 52 ALA MB 1 53 LEU MD2 . . 5.500 3.479 3.115 4.080 . 0 0 "[ . 1 . 2]" 1
456 1 52 ALA MB 1 53 LEU HG . . 4.250 3.552 3.412 3.669 . 0 0 "[ . 1 . 2]" 1
457 1 52 ALA MB 1 54 GLU H . . 4.440 4.240 4.203 4.440 . 0 0 "[ . 1 . 2]" 1
458 1 52 ALA MB 1 54 GLU QG . . 5.340 5.120 4.934 5.321 . 0 0 "[ . 1 . 2]" 1
459 1 52 ALA MB 1 55 ARG H . . 4.860 4.601 4.502 4.747 . 0 0 "[ . 1 . 2]" 1
460 1 52 ALA MB 1 56 THR H . . 5.020 4.718 4.614 4.872 . 0 0 "[ . 1 . 2]" 1
461 1 52 ALA MB 1 56 THR MG . . 3.840 3.164 3.026 3.375 . 0 0 "[ . 1 . 2]" 1
462 1 52 ALA MB 1 66 THR MG . . 3.600 3.184 3.081 3.319 . 0 0 "[ . 1 . 2]" 1
463 1 52 ALA MB 1 70 LEU MD1 . . 3.990 3.175 2.922 3.420 . 0 0 "[ . 1 . 2]" 1
464 1 52 ALA MB 1 70 LEU MD2 . . 3.990 2.295 2.016 2.533 . 0 0 "[ . 1 . 2]" 1
465 1 52 ALA MB 1 81 TRP HE3 . . 4.790 3.972 3.663 4.490 . 0 0 "[ . 1 . 2]" 1
466 1 52 ALA MB 1 81 TRP HH2 . . 3.940 2.578 2.321 2.667 . 0 0 "[ . 1 . 2]" 1
467 1 52 ALA MB 1 81 TRP HZ2 . . 4.650 4.634 4.409 4.685 0.035 11 0 "[ . 1 . 2]" 1
468 1 52 ALA MB 1 81 TRP HZ3 . . 3.560 1.994 1.876 2.357 . 0 0 "[ . 1 . 2]" 1
469 1 52 ALA MB 1 89 TYR HD2 . . 4.090 3.750 3.665 3.934 . 0 0 "[ . 1 . 2]" 1
470 1 52 ALA MB 1 89 TYR HE2 . . 3.700 3.734 3.705 3.754 0.054 8 0 "[ . 1 . 2]" 1
471 1 53 LEU H 1 53 LEU HB2 . . 3.380 2.567 2.363 2.695 . 0 0 "[ . 1 . 2]" 1
472 1 53 LEU H 1 53 LEU HB3 . . 3.750 3.583 3.574 3.603 . 0 0 "[ . 1 . 2]" 1
473 1 53 LEU H 1 53 LEU MD1 . . 4.250 3.537 3.255 3.619 . 0 0 "[ . 1 . 2]" 1
474 1 53 LEU H 1 53 LEU QD . . 3.570 2.969 2.684 3.207 . 0 0 "[ . 1 . 2]" 1
475 1 53 LEU H 1 53 LEU MD2 . . 4.250 3.217 2.771 3.729 . 0 0 "[ . 1 . 2]" 1
476 1 53 LEU H 1 53 LEU HG . . 2.790 2.123 1.948 2.520 . 0 0 "[ . 1 . 2]" 1
477 1 53 LEU H 1 54 GLU QB . . 5.150 4.782 4.274 4.884 . 0 0 "[ . 1 . 2]" 1
478 1 53 LEU H 1 54 GLU QG . . 4.740 3.963 3.735 4.502 . 0 0 "[ . 1 . 2]" 1
479 1 53 LEU H 1 55 ARG H . . 4.920 4.510 4.229 4.762 . 0 0 "[ . 1 . 2]" 1
480 1 53 LEU HA 1 53 LEU QD . . 3.210 2.150 1.976 2.512 . 0 0 "[ . 1 . 2]" 1
481 1 53 LEU HA 1 55 ARG H . . 5.460 4.238 4.099 4.450 . 0 0 "[ . 1 . 2]" 1
482 1 53 LEU HA 1 56 THR H . . 3.640 3.195 3.141 3.227 . 0 0 "[ . 1 . 2]" 1
483 1 53 LEU HA 1 56 THR HA . . 5.440 5.118 4.972 5.247 . 0 0 "[ . 1 . 2]" 1
484 1 53 LEU HA 1 57 ARG H . . 4.580 3.528 3.436 3.854 . 0 0 "[ . 1 . 2]" 1
485 1 53 LEU HA 1 57 ARG HA . . 5.500 5.591 5.547 5.664 0.164 9 0 "[ . 1 . 2]" 1
486 1 53 LEU HA 1 61 ILE MD . . 5.500 5.562 5.517 5.594 0.094 4 0 "[ . 1 . 2]" 1
487 1 53 LEU HA 1 66 THR MG . . 4.170 2.729 2.637 2.791 . 0 0 "[ . 1 . 2]" 1
488 1 53 LEU HB2 1 54 GLU H . . 4.250 3.061 3.004 3.135 . 0 0 "[ . 1 . 2]" 1
489 1 53 LEU HB2 1 56 THR H . . 5.500 5.475 5.351 5.523 0.023 19 0 "[ . 1 . 2]" 1
490 1 53 LEU HB2 1 57 ARG HE . . 4.420 4.041 3.226 4.534 0.114 9 0 "[ . 1 . 2]" 1
491 1 53 LEU HB3 1 54 GLU HA . . 5.500 4.650 4.485 4.781 . 0 0 "[ . 1 . 2]" 1
492 1 53 LEU QD 1 56 THR MG . . 3.650 3.131 2.956 3.322 . 0 0 "[ . 1 . 2]" 1
493 1 53 LEU QD 1 57 ARG H . . 4.950 4.521 4.174 4.967 0.017 9 0 "[ . 1 . 2]" 1
494 1 53 LEU QD 1 63 ASP H . . 4.370 4.069 3.568 4.365 . 0 0 "[ . 1 . 2]" 1
495 1 53 LEU QD 1 63 ASP HA . . 3.720 2.426 2.006 2.717 . 0 0 "[ . 1 . 2]" 1
496 1 53 LEU QD 1 63 ASP QB . . 3.900 2.207 1.840 2.566 . 0 0 "[ . 1 . 2]" 1
497 1 53 LEU QD 1 66 THR H . . 4.380 4.295 4.029 4.421 0.041 9 0 "[ . 1 . 2]" 1
498 1 53 LEU QD 1 66 THR HA . . 4.780 4.530 4.401 4.601 . 0 0 "[ . 1 . 2]" 1
499 1 53 LEU QD 1 66 THR HB . . 3.540 2.431 2.194 2.558 . 0 0 "[ . 1 . 2]" 1
500 1 53 LEU QD 1 66 THR MG . . 3.140 2.028 1.875 2.140 . 0 0 "[ . 1 . 2]" 1
501 1 53 LEU QD 1 67 MET H . . 4.100 3.799 3.555 3.946 . 0 0 "[ . 1 . 2]" 1
502 1 53 LEU QD 1 67 MET HA . . 4.460 3.567 3.281 3.863 . 0 0 "[ . 1 . 2]" 1
503 1 53 LEU QD 1 67 MET ME . . 4.000 3.251 2.771 4.011 0.011 16 0 "[ . 1 . 2]" 1
504 1 53 LEU QD 1 67 MET HG2 . . 3.950 3.248 2.983 3.495 . 0 0 "[ . 1 . 2]" 1
505 1 53 LEU MD1 1 67 MET ME . . 4.710 3.776 3.120 4.727 0.017 18 0 "[ . 1 . 2]" 1
506 1 53 LEU MD1 1 67 MET HG2 . . 4.550 4.025 3.629 4.321 . 0 0 "[ . 1 . 2]" 1
507 1 53 LEU MD1 1 67 MET HG3 . . 5.500 5.140 4.788 5.507 0.007 9 0 "[ . 1 . 2]" 1
508 1 53 LEU MD2 1 67 MET ME . . 4.710 3.570 2.933 4.342 . 0 0 "[ . 1 . 2]" 1
509 1 53 LEU MD2 1 67 MET HG2 . . 4.550 3.435 3.122 3.841 . 0 0 "[ . 1 . 2]" 1
510 1 53 LEU MD2 1 67 MET HG3 . . 5.500 4.816 4.542 5.159 . 0 0 "[ . 1 . 2]" 1
511 1 53 LEU HG 1 54 GLU H . . 4.960 4.387 4.205 4.642 . 0 0 "[ . 1 . 2]" 1
512 1 53 LEU HG 1 66 THR MG . . 4.690 3.868 3.353 4.221 . 0 0 "[ . 1 . 2]" 1
513 1 54 GLU H 1 54 GLU QB . . 2.660 2.491 2.232 2.566 . 0 0 "[ . 1 . 2]" 1
514 1 54 GLU H 1 54 GLU QG . . 3.260 2.183 1.956 2.693 . 0 0 "[ . 1 . 2]" 1
515 1 54 GLU H 1 55 ARG H . . 3.290 2.653 2.592 2.853 . 0 0 "[ . 1 . 2]" 1
516 1 54 GLU H 1 56 THR H . . 4.100 3.924 3.890 4.020 . 0 0 "[ . 1 . 2]" 1
517 1 54 GLU H 1 56 THR MG . . 4.770 4.472 4.225 4.790 0.020 19 0 "[ . 1 . 2]" 1
518 1 54 GLU H 1 57 ARG H . . 4.840 4.618 4.564 4.654 . 0 0 "[ . 1 . 2]" 1
519 1 54 GLU H 1 57 ARG QD . . 5.340 5.156 3.675 5.384 0.044 13 0 "[ . 1 . 2]" 1
520 1 54 GLU H 1 57 ARG HE . . 5.270 4.648 3.364 5.279 0.009 1 0 "[ . 1 . 2]" 1
521 1 54 GLU H 1 66 THR MG . . 5.500 5.532 5.511 5.557 0.057 19 0 "[ . 1 . 2]" 1
522 1 54 GLU HA 1 54 GLU HG2 . . 3.810 2.992 2.404 4.244 0.434 19 0 "[ . 1 . 2]" 1
523 1 54 GLU HA 1 54 GLU HG3 . . 3.810 3.648 3.131 3.812 0.002 9 0 "[ . 1 . 2]" 1
524 1 54 GLU HA 1 57 ARG H . . 4.080 3.802 3.579 3.866 . 0 0 "[ . 1 . 2]" 1
525 1 54 GLU HA 1 57 ARG HD2 . . 4.360 2.783 1.952 4.120 . 0 0 "[ . 1 . 2]" 1
526 1 54 GLU HA 1 57 ARG QD . . 3.690 2.672 1.945 3.439 . 0 0 "[ . 1 . 2]" 1
527 1 54 GLU HA 1 57 ARG HD3 . . 4.360 4.013 2.700 4.474 0.114 13 0 "[ . 1 . 2]" 1
528 1 54 GLU HA 1 57 ARG HE . . 5.470 2.834 1.937 3.310 . 0 0 "[ . 1 . 2]" 1
529 1 54 GLU QB 1 55 ARG H . . 3.250 2.565 2.295 3.422 0.172 19 0 "[ . 1 . 2]" 1
530 1 54 GLU HB2 1 55 ARG H . . 3.870 2.639 2.328 4.060 0.190 19 0 "[ . 1 . 2]" 1
531 1 54 GLU HB3 1 55 ARG H . . 3.870 3.695 3.480 3.824 . 0 0 "[ . 1 . 2]" 1
532 1 54 GLU QG 1 55 ARG H . . 4.300 3.835 1.961 4.082 . 0 0 "[ . 1 . 2]" 1
533 1 55 ARG H 1 55 ARG HB2 . . 3.230 2.815 2.780 2.853 . 0 0 "[ . 1 . 2]" 1
534 1 55 ARG H 1 55 ARG HB3 . . 3.130 2.319 2.299 2.335 . 0 0 "[ . 1 . 2]" 1
535 1 55 ARG H 1 55 ARG HD3 . . 5.360 4.510 4.463 4.609 . 0 0 "[ . 1 . 2]" 1
536 1 55 ARG H 1 56 THR H . . 3.100 2.445 2.427 2.554 . 0 0 "[ . 1 . 2]" 1
537 1 55 ARG H 1 56 THR MG . . 4.200 3.756 3.665 3.899 . 0 0 "[ . 1 . 2]" 1
538 1 55 ARG H 1 57 ARG H . . 4.140 4.134 4.038 4.180 0.040 6 0 "[ . 1 . 2]" 1
539 1 55 ARG H 1 58 GLN H . . 5.180 4.975 4.926 5.174 . 0 0 "[ . 1 . 2]" 1
540 1 55 ARG H 1 92 LEU MD2 . . 4.570 4.150 4.064 4.296 . 0 0 "[ . 1 . 2]" 1
541 1 55 ARG HA 1 55 ARG HD2 . . 3.470 3.038 2.884 3.216 . 0 0 "[ . 1 . 2]" 1
542 1 55 ARG HA 1 55 ARG HD3 . . 3.550 2.140 2.051 2.328 . 0 0 "[ . 1 . 2]" 1
543 1 55 ARG HA 1 55 ARG HE . . 4.940 4.697 4.587 4.829 . 0 0 "[ . 1 . 2]" 1
544 1 55 ARG HA 1 55 ARG HG2 . . 3.990 3.835 3.813 3.866 . 0 0 "[ . 1 . 2]" 1
545 1 55 ARG HA 1 58 GLN HB2 . . 3.770 3.283 3.090 3.746 . 0 0 "[ . 1 . 2]" 1
546 1 55 ARG HA 1 58 GLN HG2 . . 3.960 3.264 2.543 3.428 . 0 0 "[ . 1 . 2]" 1
547 1 55 ARG HA 1 58 GLN HG3 . . 3.780 3.180 2.718 3.865 0.085 9 0 "[ . 1 . 2]" 1
548 1 55 ARG HA 1 88 ASN HD21 . . 5.500 4.955 4.767 5.112 . 0 0 "[ . 1 . 2]" 1
549 1 55 ARG HA 1 88 ASN HD22 . . 4.660 4.458 4.221 4.655 . 0 0 "[ . 1 . 2]" 1
550 1 55 ARG HB2 1 55 ARG HD3 . . 4.100 2.429 2.363 2.470 . 0 0 "[ . 1 . 2]" 1
551 1 55 ARG HB2 1 55 ARG HE . . 4.210 3.699 3.517 3.895 . 0 0 "[ . 1 . 2]" 1
552 1 55 ARG HB2 1 56 THR H . . 4.240 4.102 4.078 4.128 . 0 0 "[ . 1 . 2]" 1
553 1 55 ARG HB2 1 88 ASN HD21 . . 4.680 3.053 2.807 3.277 . 0 0 "[ . 1 . 2]" 1
554 1 55 ARG HB2 1 89 TYR HD2 . . 4.990 2.850 2.643 3.040 . 0 0 "[ . 1 . 2]" 1
555 1 55 ARG HB3 1 56 THR H . . 3.300 2.852 2.797 2.885 . 0 0 "[ . 1 . 2]" 1
556 1 55 ARG HB3 1 89 TYR QB . . 4.660 3.273 3.123 3.400 . 0 0 "[ . 1 . 2]" 1
557 1 55 ARG HD2 1 56 THR H . . 5.180 4.932 4.828 5.052 . 0 0 "[ . 1 . 2]" 1
558 1 55 ARG HD2 1 88 ASN HD21 . . 4.570 4.468 4.371 4.539 . 0 0 "[ . 1 . 2]" 1
559 1 55 ARG HD2 1 88 ASN HD22 . . 4.740 4.560 4.377 4.750 0.010 8 0 "[ . 1 . 2]" 1
560 1 55 ARG HD2 1 92 LEU MD2 . . 3.690 3.729 3.706 3.748 0.058 7 0 "[ . 1 . 2]" 1
561 1 55 ARG HD3 1 56 THR H . . 5.310 4.990 4.871 5.138 . 0 0 "[ . 1 . 2]" 1
562 1 55 ARG HD3 1 59 LEU QD . . 4.340 4.005 3.546 4.342 0.002 16 0 "[ . 1 . 2]" 1
563 1 55 ARG HD3 1 88 ASN HD21 . . 4.680 3.528 3.322 3.773 . 0 0 "[ . 1 . 2]" 1
564 1 55 ARG HD3 1 88 ASN HD22 . . 5.330 3.123 2.848 3.438 . 0 0 "[ . 1 . 2]" 1
565 1 55 ARG HD3 1 89 TYR HD2 . . 5.410 5.006 4.666 5.244 . 0 0 "[ . 1 . 2]" 1
566 1 55 ARG HD3 1 92 LEU MD2 . . 4.840 4.166 4.154 4.204 . 0 0 "[ . 1 . 2]" 1
567 1 55 ARG HE 1 55 ARG HG2 . . 3.620 2.102 2.085 2.136 . 0 0 "[ . 1 . 2]" 1
568 1 55 ARG HE 1 55 ARG HG3 . . 3.500 3.194 3.076 3.286 . 0 0 "[ . 1 . 2]" 1
569 1 55 ARG HE 1 88 ASN HB2 . . 4.500 4.133 3.930 4.413 . 0 0 "[ . 1 . 2]" 1
570 1 55 ARG HE 1 88 ASN HB3 . . 3.830 2.554 2.351 2.806 . 0 0 "[ . 1 . 2]" 1
571 1 55 ARG HE 1 90 THR H . . 5.500 5.505 5.423 5.528 0.028 9 0 "[ . 1 . 2]" 1
572 1 55 ARG HE 1 92 LEU MD2 . . 3.760 3.486 3.300 3.645 . 0 0 "[ . 1 . 2]" 1
573 1 55 ARG HG2 1 56 THR HA . . 5.500 5.200 5.136 5.250 . 0 0 "[ . 1 . 2]" 1
574 1 55 ARG HG2 1 89 TYR HB2 . . 4.380 2.466 2.292 2.631 . 0 0 "[ . 1 . 2]" 1
575 1 55 ARG HG2 1 89 TYR QB . . 3.830 2.446 2.275 2.606 . 0 0 "[ . 1 . 2]" 1
576 1 55 ARG HG2 1 89 TYR HB3 . . 4.380 4.070 3.851 4.223 . 0 0 "[ . 1 . 2]" 1
577 1 55 ARG HG2 1 89 TYR HD2 . . 4.320 3.156 2.754 3.368 . 0 0 "[ . 1 . 2]" 1
578 1 55 ARG HG3 1 56 THR H . . 4.230 3.611 3.506 3.661 . 0 0 "[ . 1 . 2]" 1
579 1 55 ARG HG3 1 56 THR HA . . 4.300 3.464 3.409 3.508 . 0 0 "[ . 1 . 2]" 1
580 1 55 ARG HG3 1 56 THR HB . . 5.500 5.415 5.274 5.502 0.002 11 0 "[ . 1 . 2]" 1
581 1 55 ARG HG3 1 56 THR MG . . 4.390 3.315 3.115 3.472 . 0 0 "[ . 1 . 2]" 1
582 1 55 ARG HG3 1 89 TYR HD2 . . 4.220 4.053 3.692 4.225 0.005 4 0 "[ . 1 . 2]" 1
583 1 55 ARG HG3 1 92 LEU MD2 . . 3.950 1.922 1.888 2.000 . 0 0 "[ . 1 . 2]" 1
584 1 56 THR H 1 56 THR HB . . 3.760 3.624 3.609 3.633 . 0 0 "[ . 1 . 2]" 1
585 1 56 THR H 1 56 THR MG . . 2.940 2.170 2.089 2.252 . 0 0 "[ . 1 . 2]" 1
586 1 56 THR H 1 57 ARG H . . 3.310 2.565 2.482 2.615 . 0 0 "[ . 1 . 2]" 1
587 1 56 THR H 1 57 ARG QG . . 4.590 4.024 3.881 4.746 0.156 9 0 "[ . 1 . 2]" 1
588 1 56 THR H 1 58 GLN H . . 4.070 3.927 3.881 4.157 0.087 13 0 "[ . 1 . 2]" 1
589 1 56 THR H 1 58 GLN HB2 . . 5.360 5.018 4.884 5.551 0.191 13 0 "[ . 1 . 2]" 1
590 1 56 THR H 1 61 ILE HB . . 5.470 5.199 5.101 5.371 . 0 0 "[ . 1 . 2]" 1
591 1 56 THR H 1 66 THR MG . . 4.440 4.271 4.153 4.410 . 0 0 "[ . 1 . 2]" 1
592 1 56 THR H 1 92 LEU MD2 . . 3.620 3.277 3.159 3.349 . 0 0 "[ . 1 . 2]" 1
593 1 56 THR HA 1 56 THR MG . . 3.450 2.450 2.416 2.482 . 0 0 "[ . 1 . 2]" 1
594 1 56 THR HA 1 58 GLN H . . 4.400 3.914 3.816 4.227 . 0 0 "[ . 1 . 2]" 1
595 1 56 THR HA 1 59 LEU H . . 4.070 3.448 3.289 3.546 . 0 0 "[ . 1 . 2]" 1
596 1 56 THR HA 1 59 LEU QD . . 4.100 2.302 2.223 2.705 . 0 0 "[ . 1 . 2]" 1
597 1 56 THR HA 1 59 LEU HG . . 4.830 4.349 2.379 4.567 . 0 0 "[ . 1 . 2]" 1
598 1 56 THR HA 1 60 ASP H . . 5.500 5.260 4.915 5.371 . 0 0 "[ . 1 . 2]" 1
599 1 56 THR HA 1 61 ILE H . . 5.280 4.977 4.713 5.105 . 0 0 "[ . 1 . 2]" 1
600 1 56 THR HA 1 61 ILE HB . . 4.340 3.636 3.441 3.783 . 0 0 "[ . 1 . 2]" 1
601 1 56 THR HA 1 61 ILE MD . . 3.810 2.130 1.959 2.345 . 0 0 "[ . 1 . 2]" 1
602 1 56 THR HA 1 61 ILE HG13 . . 5.160 3.624 3.526 3.816 . 0 0 "[ . 1 . 2]" 1
603 1 56 THR HA 1 66 THR MG . . 5.080 4.643 4.453 4.825 . 0 0 "[ . 1 . 2]" 1
604 1 56 THR HA 1 92 LEU QB . . 5.340 4.680 4.498 4.919 . 0 0 "[ . 1 . 2]" 1
605 1 56 THR HA 1 92 LEU MD1 . . 4.060 2.414 2.284 2.595 . 0 0 "[ . 1 . 2]" 1
606 1 56 THR HB 1 61 ILE HB . . 3.450 1.990 1.975 2.001 . 0 0 "[ . 1 . 2]" 1
607 1 56 THR HB 1 61 ILE MD . . 3.600 1.963 1.916 2.082 . 0 0 "[ . 1 . 2]" 1
608 1 56 THR HB 1 61 ILE HG12 . . 5.450 4.206 4.070 4.370 . 0 0 "[ . 1 . 2]" 1
609 1 56 THR HB 1 61 ILE MG . . 3.770 2.716 2.621 3.046 . 0 0 "[ . 1 . 2]" 1
610 1 56 THR HB 1 66 THR HA . . 5.430 5.213 5.058 5.383 . 0 0 "[ . 1 . 2]" 1
611 1 56 THR HB 1 66 THR HB . . 4.910 4.647 4.460 4.841 . 0 0 "[ . 1 . 2]" 1
612 1 56 THR HB 1 66 THR MG . . 4.000 3.093 2.880 3.292 . 0 0 "[ . 1 . 2]" 1
613 1 56 THR HB 1 92 LEU MD1 . . 3.740 3.176 2.956 3.306 . 0 0 "[ . 1 . 2]" 1
614 1 56 THR HB 1 96 ILE MG . . 5.340 4.590 4.363 4.899 . 0 0 "[ . 1 . 2]" 1
615 1 56 THR MG 1 57 ARG H . . 4.010 3.643 3.573 3.737 . 0 0 "[ . 1 . 2]" 1
616 1 56 THR MG 1 61 ILE HB . . 4.320 3.682 3.604 3.713 . 0 0 "[ . 1 . 2]" 1
617 1 56 THR MG 1 61 ILE MD . . 3.830 2.813 2.588 2.961 . 0 0 "[ . 1 . 2]" 1
618 1 56 THR MG 1 66 THR HB . . 4.590 3.923 3.838 4.024 . 0 0 "[ . 1 . 2]" 1
619 1 56 THR MG 1 66 THR MG . . 3.120 1.813 1.718 1.926 . 0 0 "[ . 1 . 2]" 1
620 1 56 THR MG 1 92 LEU QB . . 4.130 2.630 2.398 2.753 . 0 0 "[ . 1 . 2]" 1
621 1 56 THR MG 1 92 LEU MD1 . . 2.980 2.224 1.907 2.424 . 0 0 "[ . 1 . 2]" 1
622 1 56 THR MG 1 92 LEU MD2 . . 2.580 1.921 1.898 1.934 . 0 0 "[ . 1 . 2]" 1
623 1 56 THR MG 1 92 LEU HG . . 4.770 4.057 3.863 4.157 . 0 0 "[ . 1 . 2]" 1
624 1 57 ARG H 1 57 ARG HB2 . . 3.750 3.449 2.236 3.591 . 0 0 "[ . 1 . 2]" 1
625 1 57 ARG H 1 57 ARG QB . . 3.130 2.346 2.159 2.397 . 0 0 "[ . 1 . 2]" 1
626 1 57 ARG H 1 57 ARG HB3 . . 3.750 2.507 2.180 3.548 . 0 0 "[ . 1 . 2]" 1
627 1 57 ARG H 1 57 ARG HD2 . . 5.200 4.755 3.952 4.867 . 0 0 "[ . 1 . 2]" 1
628 1 57 ARG H 1 57 ARG QD . . 4.570 4.261 3.360 4.363 . 0 0 "[ . 1 . 2]" 1
629 1 57 ARG H 1 57 ARG HD3 . . 5.200 4.878 3.434 5.096 . 0 0 "[ . 1 . 2]" 1
630 1 57 ARG H 1 57 ARG HE . . 4.560 3.962 3.395 4.438 . 0 0 "[ . 1 . 2]" 1
631 1 57 ARG H 1 57 ARG QG . . 3.320 2.441 2.360 2.870 . 0 0 "[ . 1 . 2]" 1
632 1 57 ARG H 1 58 GLN H . . 3.420 2.712 2.574 2.760 . 0 0 "[ . 1 . 2]" 1
633 1 57 ARG H 1 58 GLN HB2 . . 5.070 4.805 4.740 5.113 0.043 13 0 "[ . 1 . 2]" 1
634 1 57 ARG H 1 58 GLN HG2 . . 5.480 4.590 4.216 4.728 . 0 0 "[ . 1 . 2]" 1
635 1 57 ARG H 1 59 LEU H . . 4.550 4.406 4.106 4.458 . 0 0 "[ . 1 . 2]" 1
636 1 57 ARG H 1 59 LEU QD . . 4.850 4.876 4.863 4.940 0.090 13 0 "[ . 1 . 2]" 1
637 1 57 ARG H 1 60 ASP H . . 5.450 5.183 4.983 5.266 . 0 0 "[ . 1 . 2]" 1
638 1 57 ARG H 1 61 ILE H . . 4.890 4.551 4.444 4.787 . 0 0 "[ . 1 . 2]" 1
639 1 57 ARG H 1 61 ILE HB . . 4.880 4.386 4.236 4.886 0.006 13 0 "[ . 1 . 2]" 1
640 1 57 ARG H 1 61 ILE MD . . 5.380 4.645 4.504 4.950 . 0 0 "[ . 1 . 2]" 1
641 1 57 ARG HA 1 57 ARG HD2 . . 5.500 5.408 4.410 5.530 0.030 17 0 "[ . 1 . 2]" 1
642 1 57 ARG HA 1 57 ARG QD . . 4.720 4.426 4.021 4.670 . 0 0 "[ . 1 . 2]" 1
643 1 57 ARG HA 1 57 ARG HD3 . . 5.500 4.721 4.381 5.425 . 0 0 "[ . 1 . 2]" 1
644 1 57 ARG HA 1 57 ARG HE . . 5.100 4.648 4.496 5.176 0.076 9 0 "[ . 1 . 2]" 1
645 1 57 ARG HA 1 59 LEU H . . 4.230 4.226 4.146 4.248 0.018 9 0 "[ . 1 . 2]" 1
646 1 57 ARG HA 1 60 ASP H . . 3.770 3.455 3.375 3.524 . 0 0 "[ . 1 . 2]" 1
647 1 57 ARG HA 1 61 ILE H . . 3.010 2.412 2.274 2.801 . 0 0 "[ . 1 . 2]" 1
648 1 57 ARG HA 1 61 ILE HG13 . . 4.640 4.329 4.157 4.660 0.020 13 0 "[ . 1 . 2]" 1
649 1 57 ARG QB 1 57 ARG QD . . 2.920 2.355 2.170 2.566 . 0 0 "[ . 1 . 2]" 1
650 1 57 ARG QB 1 57 ARG HE . . 3.070 2.159 2.002 2.708 . 0 0 "[ . 1 . 2]" 1
651 1 57 ARG QB 1 58 GLN H . . 4.120 3.491 2.711 3.597 . 0 0 "[ . 1 . 2]" 1
652 1 57 ARG QB 1 61 ILE H . . 5.340 4.232 4.061 4.903 . 0 0 "[ . 1 . 2]" 1
653 1 57 ARG HB2 1 57 ARG HD2 . . 3.930 3.585 2.545 3.671 . 0 0 "[ . 1 . 2]" 1
654 1 57 ARG HB2 1 57 ARG HD3 . . 3.930 2.589 2.367 3.694 . 0 0 "[ . 1 . 2]" 1
655 1 57 ARG HB2 1 57 ARG HE . . 3.890 2.931 2.437 3.099 . 0 0 "[ . 1 . 2]" 1
656 1 57 ARG HB3 1 57 ARG HD2 . . 3.930 3.661 2.424 3.821 . 0 0 "[ . 1 . 2]" 1
657 1 57 ARG HB3 1 57 ARG HD3 . . 3.930 3.368 3.169 3.692 . 0 0 "[ . 1 . 2]" 1
658 1 57 ARG HB3 1 57 ARG HE . . 3.890 2.316 2.043 3.948 0.058 13 0 "[ . 1 . 2]" 1
659 1 57 ARG QD 1 58 GLN H . . 4.890 4.328 4.060 5.046 0.156 9 0 "[ . 1 . 2]" 1
660 1 57 ARG HE 1 57 ARG QG . . 3.520 2.617 2.267 3.397 . 0 0 "[ . 1 . 2]" 1
661 1 57 ARG QG 1 58 GLN H . . 4.760 2.542 2.179 4.403 . 0 0 "[ . 1 . 2]" 1
662 1 57 ARG QG 1 58 GLN HE21 . . 4.180 2.762 2.539 4.258 0.078 9 0 "[ . 1 . 2]" 1
663 1 57 ARG QG 1 58 GLN HE22 . . 4.200 4.209 3.962 4.405 0.205 13 0 "[ . 1 . 2]" 1
664 1 57 ARG QG 1 60 ASP H . . 5.500 4.858 4.498 5.367 . 0 0 "[ . 1 . 2]" 1
665 1 58 GLN H 1 58 GLN HB2 . . 2.930 2.348 2.284 2.618 . 0 0 "[ . 1 . 2]" 1
666 1 58 GLN H 1 58 GLN HE22 . . 5.500 5.039 3.368 5.268 . 0 0 "[ . 1 . 2]" 1
667 1 58 GLN H 1 58 GLN HG2 . . 3.010 2.504 2.265 2.602 . 0 0 "[ . 1 . 2]" 1
668 1 58 GLN H 1 59 LEU H . . 3.040 2.650 2.600 2.746 . 0 0 "[ . 1 . 2]" 1
669 1 58 GLN H 1 59 LEU HA . . 5.500 5.280 5.241 5.350 . 0 0 "[ . 1 . 2]" 1
670 1 58 GLN H 1 60 ASP H . . 4.040 3.897 3.871 3.936 . 0 0 "[ . 1 . 2]" 1
671 1 58 GLN H 1 60 ASP HA . . 5.500 5.578 5.546 5.625 0.125 9 0 "[ . 1 . 2]" 1
672 1 58 GLN H 1 61 ILE H . . 5.320 5.009 4.872 5.325 0.005 13 0 "[ . 1 . 2]" 1
673 1 58 GLN HA 1 58 GLN HE21 . . 4.350 2.190 2.021 3.494 . 0 0 "[ . 1 . 2]" 1
674 1 58 GLN HA 1 58 GLN HG2 . . 4.180 2.869 2.777 3.540 . 0 0 "[ . 1 . 2]" 1
675 1 58 GLN HA 1 58 GLN HG3 . . 4.160 3.690 3.591 3.751 . 0 0 "[ . 1 . 2]" 1
676 1 58 GLN HA 1 60 ASP H . . 4.180 3.690 3.639 3.731 . 0 0 "[ . 1 . 2]" 1
677 1 58 GLN HB2 1 58 GLN HG3 . . 2.610 2.395 2.331 2.638 0.028 9 0 "[ . 1 . 2]" 1
678 1 58 GLN HB2 1 59 LEU H . . 3.740 2.713 2.607 2.779 . 0 0 "[ . 1 . 2]" 1
679 1 58 GLN HB2 1 59 LEU QD . . 4.760 3.285 2.028 3.419 . 0 0 "[ . 1 . 2]" 1
680 1 58 GLN HB2 1 60 ASP H . . 5.500 4.760 4.678 4.788 . 0 0 "[ . 1 . 2]" 1
681 1 58 GLN HB3 1 58 GLN HE21 . . 4.800 3.751 3.527 4.295 . 0 0 "[ . 1 . 2]" 1
682 1 58 GLN HB3 1 58 GLN HE22 . . 4.830 4.271 4.079 4.823 . 0 0 "[ . 1 . 2]" 1
683 1 58 GLN HB3 1 59 LEU H . . 3.900 3.545 3.458 3.917 0.017 13 0 "[ . 1 . 2]" 1
684 1 58 GLN HB3 1 59 LEU QD . . 4.050 3.936 3.133 4.072 0.022 9 0 "[ . 1 . 2]" 1
685 1 58 GLN HB3 1 60 ASP H . . 5.300 4.998 4.948 5.211 . 0 0 "[ . 1 . 2]" 1
686 1 58 GLN HE21 1 58 GLN HG2 . . 3.310 2.282 2.171 2.334 . 0 0 "[ . 1 . 2]" 1
687 1 58 GLN HE21 1 60 ASP H . . 5.500 5.515 5.490 5.563 0.063 13 0 "[ . 1 . 2]" 1
688 1 58 GLN HE22 1 58 GLN HG2 . . 3.640 3.506 3.462 3.528 . 0 0 "[ . 1 . 2]" 1
689 1 58 GLN HG2 1 59 LEU H . . 4.920 4.521 4.210 4.600 . 0 0 "[ . 1 . 2]" 1
690 1 59 LEU H 1 59 LEU QB . . 3.150 2.596 2.576 2.821 . 0 0 "[ . 1 . 2]" 1
691 1 59 LEU H 1 59 LEU QD . . 3.150 2.594 2.553 3.009 . 0 0 "[ . 1 . 2]" 1
692 1 59 LEU H 1 59 LEU HG . . 3.060 2.427 1.927 2.513 . 0 0 "[ . 1 . 2]" 1
693 1 59 LEU H 1 60 ASP H . . 3.120 2.575 2.443 2.626 . 0 0 "[ . 1 . 2]" 1
694 1 59 LEU H 1 61 ILE MD . . 3.780 3.545 3.473 3.802 0.022 13 0 "[ . 1 . 2]" 1
695 1 59 LEU HA 1 59 LEU MD1 . . 4.100 3.910 3.897 3.992 . 0 0 "[ . 1 . 2]" 1
696 1 59 LEU HA 1 59 LEU QD . . 2.810 2.809 2.356 2.861 0.051 16 0 "[ . 1 . 2]" 1
697 1 59 LEU HA 1 59 LEU MD2 . . 4.100 2.882 2.373 2.943 . 0 0 "[ . 1 . 2]" 1
698 1 59 LEU HA 1 59 LEU HG . . 3.930 2.837 2.778 3.559 . 0 0 "[ . 1 . 2]" 1
699 1 59 LEU HA 1 60 ASP H . . 3.340 3.123 3.085 3.218 . 0 0 "[ . 1 . 2]" 1
700 1 59 LEU QB 1 59 LEU QD . . 2.810 1.847 1.823 1.913 . 0 0 "[ . 1 . 2]" 1
701 1 59 LEU QB 1 61 ILE H . . 5.340 4.589 4.220 4.712 . 0 0 "[ . 1 . 2]" 1
702 1 59 LEU QB 1 61 ILE HG12 . . 3.490 3.340 3.126 3.499 0.009 11 0 "[ . 1 . 2]" 1
703 1 59 LEU HB2 1 61 ILE MD . . 4.060 2.240 1.962 2.430 . 0 0 "[ . 1 . 2]" 1
704 1 59 LEU HB3 1 61 ILE MD . . 4.060 3.638 3.297 3.786 . 0 0 "[ . 1 . 2]" 1
705 1 59 LEU HG 1 61 ILE MD . . 4.990 4.065 2.894 4.227 . 0 0 "[ . 1 . 2]" 1
706 1 60 ASP H 1 60 ASP HA . . 2.600 2.275 2.275 2.276 . 0 0 "[ . 1 . 2]" 1
707 1 60 ASP H 1 60 ASP QB . . 3.590 3.308 2.959 3.450 . 0 0 "[ . 1 . 2]" 1
708 1 60 ASP H 1 61 ILE H . . 3.050 3.048 2.897 3.089 0.039 18 0 "[ . 1 . 2]" 1
709 1 60 ASP H 1 61 ILE HB . . 5.500 5.123 5.057 5.169 . 0 0 "[ . 1 . 2]" 1
710 1 60 ASP HA 1 61 ILE H . . 3.150 2.400 2.378 2.516 . 0 0 "[ . 1 . 2]" 1
711 1 60 ASP HA 1 61 ILE HG13 . . 4.370 4.135 4.067 4.289 . 0 0 "[ . 1 . 2]" 1
712 1 60 ASP HB2 1 61 ILE HG13 . . 5.500 4.729 4.345 5.394 . 0 0 "[ . 1 . 2]" 1
713 1 60 ASP HB3 1 61 ILE HG13 . . 5.500 5.154 4.505 5.446 . 0 0 "[ . 1 . 2]" 1
714 1 61 ILE H 1 61 ILE HB . . 3.030 2.835 2.722 2.897 . 0 0 "[ . 1 . 2]" 1
715 1 61 ILE H 1 61 ILE MD . . 4.060 4.022 3.864 4.080 0.020 16 0 "[ . 1 . 2]" 1
716 1 61 ILE H 1 61 ILE HG13 . . 3.070 2.697 2.553 2.772 . 0 0 "[ . 1 . 2]" 1
717 1 61 ILE H 1 62 PRO HD2 . . 4.930 4.778 4.682 4.817 . 0 0 "[ . 1 . 2]" 1
718 1 61 ILE HA 1 61 ILE MD . . 3.950 3.895 3.886 3.909 . 0 0 "[ . 1 . 2]" 1
719 1 61 ILE HA 1 61 ILE HG12 . . 3.550 2.658 2.639 2.691 . 0 0 "[ . 1 . 2]" 1
720 1 61 ILE HA 1 61 ILE MG . . 3.500 2.355 2.329 2.382 . 0 0 "[ . 1 . 2]" 1
721 1 61 ILE HA 1 62 PRO HD2 . . 2.940 2.061 1.960 2.080 . 0 0 "[ . 1 . 2]" 1
722 1 61 ILE HA 1 62 PRO HD3 . . 3.320 2.272 2.262 2.330 . 0 0 "[ . 1 . 2]" 1
723 1 61 ILE HA 1 65 LYS HD3 . . 4.360 3.610 3.157 3.826 . 0 0 "[ . 1 . 2]" 1
724 1 61 ILE HA 1 96 ILE MG . . 4.920 3.914 3.779 4.189 . 0 0 "[ . 1 . 2]" 1
725 1 61 ILE HB 1 61 ILE MD . . 3.210 2.343 2.273 2.398 . 0 0 "[ . 1 . 2]" 1
726 1 61 ILE HB 1 96 ILE MG . . 4.410 4.068 3.929 4.256 . 0 0 "[ . 1 . 2]" 1
727 1 61 ILE MD 1 61 ILE MG . . 2.800 2.081 1.973 2.213 . 0 0 "[ . 1 . 2]" 1
728 1 61 ILE MD 1 62 PRO HD2 . . 5.310 4.646 4.577 4.909 . 0 0 "[ . 1 . 2]" 1
729 1 61 ILE MD 1 65 LYS HG2 . . 5.370 5.200 5.038 5.319 . 0 0 "[ . 1 . 2]" 1
730 1 61 ILE MD 1 66 THR HA . . 5.500 5.051 4.909 5.203 . 0 0 "[ . 1 . 2]" 1
731 1 61 ILE MD 1 66 THR HB . . 5.500 5.431 5.303 5.530 0.030 16 0 "[ . 1 . 2]" 1
732 1 61 ILE MD 1 66 THR MG . . 4.250 3.854 3.559 4.073 . 0 0 "[ . 1 . 2]" 1
733 1 61 ILE MD 1 96 ILE H . . 5.500 4.598 4.441 4.869 . 0 0 "[ . 1 . 2]" 1
734 1 61 ILE MD 1 96 ILE HA . . 5.500 4.744 4.618 4.949 . 0 0 "[ . 1 . 2]" 1
735 1 61 ILE MD 1 96 ILE HB . . 3.320 2.796 2.588 3.133 . 0 0 "[ . 1 . 2]" 1
736 1 61 ILE MD 1 96 ILE QG . . 3.720 1.974 1.895 2.121 . 0 0 "[ . 1 . 2]" 1
737 1 61 ILE HG12 1 62 PRO HD2 . . 4.150 3.899 3.797 4.103 . 0 0 "[ . 1 . 2]" 1
738 1 61 ILE HG13 1 96 ILE MG . . 4.290 3.783 3.518 4.203 . 0 0 "[ . 1 . 2]" 1
739 1 61 ILE MG 1 62 PRO HD2 . . 3.560 1.993 1.916 2.335 . 0 0 "[ . 1 . 2]" 1
740 1 61 ILE MG 1 62 PRO HD3 . . 3.770 3.325 3.265 3.618 . 0 0 "[ . 1 . 2]" 1
741 1 61 ILE MG 1 62 PRO HG2 . . 4.200 3.138 3.064 3.480 . 0 0 "[ . 1 . 2]" 1
742 1 61 ILE MG 1 63 ASP H . . 5.300 4.987 4.895 5.044 . 0 0 "[ . 1 . 2]" 1
743 1 61 ILE MG 1 63 ASP HA . . 4.710 4.522 4.429 4.629 . 0 0 "[ . 1 . 2]" 1
744 1 61 ILE MG 1 65 LYS H . . 4.360 4.142 4.095 4.206 . 0 0 "[ . 1 . 2]" 1
745 1 61 ILE MG 1 65 LYS HB3 . . 4.470 4.351 4.199 4.478 0.008 15 0 "[ . 1 . 2]" 1
746 1 61 ILE MG 1 65 LYS HD2 . . 4.000 3.193 2.935 3.415 . 0 0 "[ . 1 . 2]" 1
747 1 61 ILE MG 1 65 LYS HG2 . . 3.890 2.347 2.246 2.461 . 0 0 "[ . 1 . 2]" 1
748 1 61 ILE MG 1 66 THR H . . 3.580 3.468 3.383 3.571 . 0 0 "[ . 1 . 2]" 1
749 1 61 ILE MG 1 66 THR HB . . 4.370 3.843 3.732 3.990 . 0 0 "[ . 1 . 2]" 1
750 1 61 ILE MG 1 96 ILE HB . . 4.150 3.902 3.798 4.101 . 0 0 "[ . 1 . 2]" 1
751 1 61 ILE MG 1 96 ILE MG . . 3.130 1.955 1.855 2.085 . 0 0 "[ . 1 . 2]" 1
752 1 61 ILE MG 1 100 GLU HB2 . . 5.500 5.378 5.187 5.532 0.032 8 0 "[ . 1 . 2]" 1
753 1 62 PRO HA 1 63 ASP H . . 2.720 2.178 2.166 2.185 . 0 0 "[ . 1 . 2]" 1
754 1 62 PRO HA 1 63 ASP HA . . 5.500 4.357 4.354 4.363 . 0 0 "[ . 1 . 2]" 1
755 1 62 PRO HA 1 64 GLU H . . 3.750 3.612 3.570 3.668 . 0 0 "[ . 1 . 2]" 1
756 1 62 PRO HA 1 64 GLU QG . . 5.340 4.290 4.200 4.711 . 0 0 "[ . 1 . 2]" 1
757 1 62 PRO HA 1 65 LYS HG2 . . 5.500 4.896 4.797 5.061 . 0 0 "[ . 1 . 2]" 1
758 1 62 PRO HA 1 66 THR H . . 5.500 5.339 5.260 5.408 . 0 0 "[ . 1 . 2]" 1
759 1 62 PRO HB2 1 63 ASP H . . 3.410 3.375 3.334 3.444 0.034 16 0 "[ . 1 . 2]" 1
760 1 62 PRO HB2 1 64 GLU H . . 3.500 2.344 2.308 2.435 . 0 0 "[ . 1 . 2]" 1
761 1 62 PRO HB2 1 65 LYS H . . 4.000 2.998 2.857 3.326 . 0 0 "[ . 1 . 2]" 1
762 1 62 PRO HB3 1 63 ASP H . . 3.920 3.878 3.852 3.923 0.003 16 0 "[ . 1 . 2]" 1
763 1 62 PRO HD2 1 64 GLU H . . 5.500 5.640 5.603 5.715 0.215 6 0 "[ . 1 . 2]" 1
764 1 62 PRO HD2 1 65 LYS H . . 5.200 4.671 4.587 4.852 . 0 0 "[ . 1 . 2]" 1
765 1 62 PRO HD2 1 65 LYS HB3 . . 4.610 4.409 4.173 4.630 0.020 18 0 "[ . 1 . 2]" 1
766 1 62 PRO HD2 1 65 LYS HD2 . . 3.760 2.494 2.218 2.782 . 0 0 "[ . 1 . 2]" 1
767 1 62 PRO HD2 1 65 LYS HD3 . . 4.090 2.119 1.992 2.402 . 0 0 "[ . 1 . 2]" 1
768 1 62 PRO HD2 1 65 LYS HG2 . . 4.840 2.927 2.801 3.151 . 0 0 "[ . 1 . 2]" 1
769 1 62 PRO HD2 1 65 LYS HG3 . . 4.940 3.959 3.822 4.187 . 0 0 "[ . 1 . 2]" 1
770 1 62 PRO HD3 1 65 LYS HD2 . . 4.350 3.624 3.403 3.858 . 0 0 "[ . 1 . 2]" 1
771 1 62 PRO HD3 1 65 LYS HD3 . . 4.220 3.758 3.604 4.070 . 0 0 "[ . 1 . 2]" 1
772 1 62 PRO HD3 1 96 ILE MG . . 5.500 5.011 4.867 5.265 . 0 0 "[ . 1 . 2]" 1
773 1 62 PRO HG2 1 63 ASP H . . 4.940 4.855 4.835 4.886 . 0 0 "[ . 1 . 2]" 1
774 1 62 PRO HG2 1 65 LYS HD2 . . 4.360 2.037 1.997 2.095 . 0 0 "[ . 1 . 2]" 1
775 1 62 PRO HG2 1 65 LYS HG2 . . 5.500 2.143 1.965 2.715 . 0 0 "[ . 1 . 2]" 1
776 1 62 PRO HG2 1 65 LYS HG3 . . 4.150 3.690 3.550 4.142 . 0 0 "[ . 1 . 2]" 1
777 1 63 ASP H 1 63 ASP QB . . 3.000 2.547 2.243 2.715 . 0 0 "[ . 1 . 2]" 1
778 1 63 ASP H 1 64 GLU H . . 3.220 2.615 2.598 2.686 . 0 0 "[ . 1 . 2]" 1
779 1 63 ASP H 1 64 GLU HA . . 5.290 5.122 5.097 5.213 . 0 0 "[ . 1 . 2]" 1
780 1 63 ASP H 1 64 GLU QG . . 3.710 3.612 3.503 3.719 0.009 16 0 "[ . 1 . 2]" 1
781 1 63 ASP H 1 65 LYS H . . 4.750 4.464 4.358 4.609 . 0 0 "[ . 1 . 2]" 1
782 1 63 ASP H 1 66 THR H . . 4.800 4.783 4.634 4.839 0.039 3 0 "[ . 1 . 2]" 1
783 1 63 ASP H 1 66 THR HB . . 4.960 4.790 4.544 4.980 0.020 15 0 "[ . 1 . 2]" 1
784 1 63 ASP HA 1 64 GLU H . . 3.450 3.364 3.347 3.424 . 0 0 "[ . 1 . 2]" 1
785 1 63 ASP HA 1 66 THR H . . 3.660 3.117 2.853 3.227 . 0 0 "[ . 1 . 2]" 1
786 1 63 ASP HA 1 66 THR HB . . 3.460 2.200 1.997 2.309 . 0 0 "[ . 1 . 2]" 1
787 1 63 ASP HA 1 66 THR MG . . 3.870 3.727 3.533 3.875 0.005 15 0 "[ . 1 . 2]" 1
788 1 63 ASP HA 1 67 MET H . . 4.020 3.419 3.027 3.619 . 0 0 "[ . 1 . 2]" 1
789 1 63 ASP QB 1 64 GLU H . . 3.330 3.302 3.209 3.629 0.299 13 0 "[ . 1 . 2]" 1
790 1 63 ASP QB 1 64 GLU HA . . 4.890 4.109 3.995 4.353 . 0 0 "[ . 1 . 2]" 1
791 1 63 ASP QB 1 65 LYS H . . 5.340 4.969 4.735 5.256 . 0 0 "[ . 1 . 2]" 1
792 1 63 ASP QB 1 66 THR HB . . 4.200 3.979 3.622 4.209 0.009 2 0 "[ . 1 . 2]" 1
793 1 63 ASP QB 1 66 THR MG . . 5.340 4.750 4.354 4.965 . 0 0 "[ . 1 . 2]" 1
794 1 64 GLU H 1 64 GLU HB2 . . 2.800 2.649 2.538 2.700 . 0 0 "[ . 1 . 2]" 1
795 1 64 GLU H 1 64 GLU QG . . 3.120 2.034 1.921 2.159 . 0 0 "[ . 1 . 2]" 1
796 1 64 GLU H 1 65 LYS H . . 3.220 2.505 2.443 2.675 . 0 0 "[ . 1 . 2]" 1
797 1 64 GLU H 1 65 LYS HA . . 5.490 5.170 5.123 5.297 . 0 0 "[ . 1 . 2]" 1
798 1 64 GLU H 1 65 LYS HB3 . . 4.920 4.787 4.658 4.942 0.022 13 0 "[ . 1 . 2]" 1
799 1 64 GLU H 1 66 THR H . . 4.010 3.723 3.646 3.845 . 0 0 "[ . 1 . 2]" 1
800 1 64 GLU H 1 67 MET H . . 4.760 4.598 4.498 4.714 . 0 0 "[ . 1 . 2]" 1
801 1 64 GLU HA 1 64 GLU HB3 . . 2.660 2.387 2.375 2.434 . 0 0 "[ . 1 . 2]" 1
802 1 64 GLU HA 1 64 GLU HG2 . . 3.960 2.872 2.561 3.423 . 0 0 "[ . 1 . 2]" 1
803 1 64 GLU HA 1 64 GLU QG . . 3.390 2.736 2.500 3.173 . 0 0 "[ . 1 . 2]" 1
804 1 64 GLU HA 1 64 GLU HG3 . . 3.960 3.496 2.887 3.851 . 0 0 "[ . 1 . 2]" 1
805 1 64 GLU HA 1 65 LYS HA . . 5.410 4.609 4.556 4.638 . 0 0 "[ . 1 . 2]" 1
806 1 64 GLU HA 1 67 MET H . . 4.260 4.059 3.938 4.284 0.024 20 0 "[ . 1 . 2]" 1
807 1 64 GLU HA 1 67 MET HG2 . . 5.500 4.563 4.268 4.898 . 0 0 "[ . 1 . 2]" 1
808 1 64 GLU HA 1 68 PRO HD2 . . 5.400 4.593 4.483 4.739 . 0 0 "[ . 1 . 2]" 1
809 1 64 GLU HA 1 68 PRO HD3 . . 4.580 4.364 4.208 4.587 0.007 9 0 "[ . 1 . 2]" 1
810 1 64 GLU HB2 1 65 LYS H . . 3.100 2.760 2.504 3.027 . 0 0 "[ . 1 . 2]" 1
811 1 64 GLU HB2 1 65 LYS HG2 . . 5.500 4.781 4.636 5.035 . 0 0 "[ . 1 . 2]" 1
812 1 64 GLU QG 1 65 LYS H . . 4.140 3.849 3.744 4.017 . 0 0 "[ . 1 . 2]" 1
813 1 65 LYS H 1 65 LYS HB2 . . 3.740 3.686 3.636 3.758 0.018 20 0 "[ . 1 . 2]" 1
814 1 65 LYS H 1 65 LYS HB3 . . 3.320 2.579 2.425 2.739 . 0 0 "[ . 1 . 2]" 1
815 1 65 LYS H 1 65 LYS HD2 . . 5.080 3.995 3.819 4.175 . 0 0 "[ . 1 . 2]" 1
816 1 65 LYS H 1 65 LYS QE . . 5.140 4.882 4.725 4.989 . 0 0 "[ . 1 . 2]" 1
817 1 65 LYS H 1 65 LYS HG2 . . 3.850 2.408 2.315 2.607 . 0 0 "[ . 1 . 2]" 1
818 1 65 LYS H 1 65 LYS HG3 . . 3.980 3.680 3.565 3.838 . 0 0 "[ . 1 . 2]" 1
819 1 65 LYS H 1 66 THR H . . 2.860 2.147 1.960 2.263 . 0 0 "[ . 1 . 2]" 1
820 1 65 LYS H 1 66 THR HA . . 5.500 4.835 4.665 4.931 . 0 0 "[ . 1 . 2]" 1
821 1 65 LYS H 1 66 THR HB . . 4.460 4.427 4.321 4.486 0.026 13 0 "[ . 1 . 2]" 1
822 1 65 LYS H 1 67 MET H . . 4.020 3.771 3.653 3.883 . 0 0 "[ . 1 . 2]" 1
823 1 65 LYS HA 1 65 LYS HD2 . . 5.010 4.825 4.756 4.893 . 0 0 "[ . 1 . 2]" 1
824 1 65 LYS HA 1 65 LYS QE . . 4.370 4.291 4.178 4.383 0.013 6 0 "[ . 1 . 2]" 1
825 1 65 LYS HA 1 65 LYS HG2 . . 3.840 3.755 3.705 3.778 . 0 0 "[ . 1 . 2]" 1
826 1 65 LYS HA 1 65 LYS HG3 . . 3.720 3.673 3.600 3.711 . 0 0 "[ . 1 . 2]" 1
827 1 65 LYS HA 1 68 PRO HD2 . . 4.780 2.997 2.953 3.042 . 0 0 "[ . 1 . 2]" 1
828 1 65 LYS HB2 1 65 LYS QE . . 3.620 2.125 1.988 2.280 . 0 0 "[ . 1 . 2]" 1
829 1 65 LYS HB2 1 69 VAL MG2 . . 5.500 3.778 3.638 3.904 . 0 0 "[ . 1 . 2]" 1
830 1 65 LYS HB2 1 96 ILE MD . . 3.780 3.618 3.520 3.761 . 0 0 "[ . 1 . 2]" 1
831 1 65 LYS HB2 1 96 ILE MG . . 4.820 4.691 4.547 4.830 0.010 20 0 "[ . 1 . 2]" 1
832 1 65 LYS HB2 1 99 VAL QG . . 3.450 2.938 2.458 3.452 0.002 19 0 "[ . 1 . 2]" 1
833 1 65 LYS HB3 1 65 LYS QE . . 4.350 2.974 2.629 3.288 . 0 0 "[ . 1 . 2]" 1
834 1 65 LYS HB3 1 96 ILE MD . . 4.480 4.379 4.349 4.430 . 0 0 "[ . 1 . 2]" 1
835 1 65 LYS HB3 1 96 ILE MG . . 5.390 5.235 5.068 5.370 . 0 0 "[ . 1 . 2]" 1
836 1 65 LYS HB3 1 99 VAL QG . . 5.440 4.133 3.621 4.706 . 0 0 "[ . 1 . 2]" 1
837 1 65 LYS HD2 1 96 ILE MD . . 4.030 3.823 3.648 3.898 . 0 0 "[ . 1 . 2]" 1
838 1 65 LYS HD2 1 96 ILE MG . . 4.530 3.841 3.566 4.020 . 0 0 "[ . 1 . 2]" 1
839 1 65 LYS HD2 1 100 GLU HB2 . . 5.500 5.148 4.952 5.525 0.025 14 0 "[ . 1 . 2]" 1
840 1 65 LYS HD3 1 69 VAL MG2 . . 5.110 4.947 4.606 5.124 0.014 16 0 "[ . 1 . 2]" 1
841 1 65 LYS HD3 1 96 ILE MD . . 5.500 2.524 2.244 2.646 . 0 0 "[ . 1 . 2]" 1
842 1 65 LYS HD3 1 100 GLU H . . 5.500 5.226 4.813 5.513 0.013 13 0 "[ . 1 . 2]" 1
843 1 65 LYS HD3 1 100 GLU HA . . 5.500 5.111 4.592 5.453 . 0 0 "[ . 1 . 2]" 1
844 1 65 LYS QE 1 65 LYS HG2 . . 3.540 3.390 3.311 3.547 0.007 8 0 "[ . 1 . 2]" 1
845 1 65 LYS QE 1 65 LYS HG3 . . 3.250 2.525 2.293 3.071 . 0 0 "[ . 1 . 2]" 1
846 1 65 LYS QE 1 96 ILE HB . . 5.340 4.848 4.548 5.412 0.072 8 0 "[ . 1 . 2]" 1
847 1 65 LYS QE 1 96 ILE MD . . 3.410 2.714 2.388 3.407 . 0 0 "[ . 1 . 2]" 1
848 1 65 LYS QE 1 96 ILE MG . . 3.830 2.166 1.927 2.651 . 0 0 "[ . 1 . 2]" 1
849 1 65 LYS QE 1 99 VAL QG . . 3.690 2.701 2.121 3.357 . 0 0 "[ . 1 . 2]" 1
850 1 65 LYS QE 1 100 GLU HB3 . . 4.200 2.366 2.152 2.921 . 0 0 "[ . 1 . 2]" 1
851 1 65 LYS QE 1 100 GLU QG . . 4.730 4.194 3.890 4.677 . 0 0 "[ . 1 . 2]" 1
852 1 65 LYS HE2 1 96 ILE HA . . 5.500 3.658 2.989 4.890 . 0 0 "[ . 1 . 2]" 1
853 1 65 LYS HE2 1 96 ILE MD . . 3.960 3.149 2.505 4.029 0.069 17 0 "[ . 1 . 2]" 1
854 1 65 LYS HE2 1 100 GLU H . . 5.500 3.291 2.661 4.237 . 0 0 "[ . 1 . 2]" 1
855 1 65 LYS HE3 1 96 ILE HA . . 5.500 3.726 3.098 4.527 . 0 0 "[ . 1 . 2]" 1
856 1 65 LYS HE3 1 96 ILE MD . . 3.960 3.067 2.489 3.687 . 0 0 "[ . 1 . 2]" 1
857 1 65 LYS HE3 1 100 GLU H . . 5.500 3.672 3.404 4.171 . 0 0 "[ . 1 . 2]" 1
858 1 65 LYS HG2 1 66 THR HA . . 4.210 3.989 3.774 4.147 . 0 0 "[ . 1 . 2]" 1
859 1 65 LYS HG2 1 66 THR HB . . 5.500 4.366 4.199 4.665 . 0 0 "[ . 1 . 2]" 1
860 1 65 LYS HG2 1 96 ILE MG . . 4.150 4.142 3.961 4.195 0.045 9 0 "[ . 1 . 2]" 1
861 1 65 LYS HG3 1 66 THR H . . 4.430 3.064 2.896 3.282 . 0 0 "[ . 1 . 2]" 1
862 1 65 LYS HG3 1 66 THR HA . . 4.280 3.272 3.212 3.403 . 0 0 "[ . 1 . 2]" 1
863 1 65 LYS HG3 1 96 ILE HA . . 4.670 4.126 3.903 4.239 . 0 0 "[ . 1 . 2]" 1
864 1 65 LYS HG3 1 96 ILE MG . . 4.770 3.326 3.176 3.403 . 0 0 "[ . 1 . 2]" 1
865 1 65 LYS HG3 1 99 VAL QG . . 5.440 4.136 3.825 4.521 . 0 0 "[ . 1 . 2]" 1
866 1 65 LYS HG3 1 100 GLU HB3 . . 5.500 5.450 5.275 5.520 0.020 9 0 "[ . 1 . 2]" 1
867 1 66 THR H 1 66 THR MG . . 3.800 3.771 3.764 3.782 . 0 0 "[ . 1 . 2]" 1
868 1 66 THR H 1 67 MET H . . 3.300 2.486 2.461 2.523 . 0 0 "[ . 1 . 2]" 1
869 1 66 THR H 1 68 PRO HD2 . . 5.330 3.431 3.208 3.524 . 0 0 "[ . 1 . 2]" 1
870 1 66 THR H 1 96 ILE MD . . 3.830 3.693 3.600 3.800 . 0 0 "[ . 1 . 2]" 1
871 1 66 THR HA 1 66 THR MG . . 3.370 2.401 2.338 2.423 . 0 0 "[ . 1 . 2]" 1
872 1 66 THR HA 1 67 MET HA . . 5.030 4.896 4.882 4.905 . 0 0 "[ . 1 . 2]" 1
873 1 66 THR HA 1 70 LEU H . . 4.000 3.694 3.613 3.814 . 0 0 "[ . 1 . 2]" 1
874 1 66 THR HB 1 67 MET H . . 3.330 2.847 2.693 2.891 . 0 0 "[ . 1 . 2]" 1
875 1 66 THR HB 1 67 MET HA . . 5.500 4.206 4.048 4.271 . 0 0 "[ . 1 . 2]" 1
876 1 66 THR HB 1 67 MET ME . . 5.500 5.133 4.680 5.642 0.142 15 0 "[ . 1 . 2]" 1
877 1 66 THR HB 1 70 LEU QD . . 4.860 3.607 3.233 3.918 . 0 0 "[ . 1 . 2]" 1
878 1 66 THR HB 1 96 ILE MD . . 5.210 4.206 4.015 4.356 . 0 0 "[ . 1 . 2]" 1
879 1 66 THR MG 1 67 MET H . . 3.790 3.655 3.593 3.798 0.008 16 0 "[ . 1 . 2]" 1
880 1 66 THR MG 1 67 MET HA . . 3.990 3.654 3.546 3.928 . 0 0 "[ . 1 . 2]" 1
881 1 66 THR MG 1 67 MET HG2 . . 5.500 4.773 4.600 5.118 . 0 0 "[ . 1 . 2]" 1
882 1 66 THR MG 1 69 VAL H . . 4.240 4.099 4.027 4.183 . 0 0 "[ . 1 . 2]" 1
883 1 66 THR MG 1 69 VAL HB . . 3.900 2.981 2.852 3.208 . 0 0 "[ . 1 . 2]" 1
884 1 66 THR MG 1 70 LEU H . . 3.850 3.081 2.992 3.286 . 0 0 "[ . 1 . 2]" 1
885 1 66 THR MG 1 70 LEU HA . . 4.730 4.409 4.328 4.606 . 0 0 "[ . 1 . 2]" 1
886 1 66 THR MG 1 70 LEU HB3 . . 3.520 2.757 2.654 2.895 . 0 0 "[ . 1 . 2]" 1
887 1 66 THR MG 1 70 LEU QD . . 3.010 2.014 1.932 2.280 . 0 0 "[ . 1 . 2]" 1
888 1 66 THR MG 1 70 LEU HG . . 4.330 3.769 3.560 4.025 . 0 0 "[ . 1 . 2]" 1
889 1 67 MET H 1 67 MET HB2 . . 2.940 2.151 2.084 2.236 . 0 0 "[ . 1 . 2]" 1
890 1 67 MET H 1 67 MET HB3 . . 3.560 3.467 3.386 3.529 . 0 0 "[ . 1 . 2]" 1
891 1 67 MET H 1 67 MET HG2 . . 3.570 3.061 2.737 3.315 . 0 0 "[ . 1 . 2]" 1
892 1 67 MET H 1 67 MET HG3 . . 4.160 3.823 3.584 4.001 . 0 0 "[ . 1 . 2]" 1
893 1 67 MET H 1 68 PRO HD2 . . 3.450 2.186 2.138 2.206 . 0 0 "[ . 1 . 2]" 1
894 1 67 MET H 1 68 PRO HD3 . . 3.380 3.222 3.143 3.254 . 0 0 "[ . 1 . 2]" 1
895 1 67 MET H 1 69 VAL H . . 4.260 3.827 3.804 3.863 . 0 0 "[ . 1 . 2]" 1
896 1 67 MET H 1 69 VAL MG2 . . 5.000 4.764 4.659 5.032 0.032 20 0 "[ . 1 . 2]" 1
897 1 67 MET H 1 70 LEU QD . . 4.450 3.827 3.700 3.975 . 0 0 "[ . 1 . 2]" 1
898 1 67 MET HA 1 67 MET ME . . 3.880 2.075 1.934 2.331 . 0 0 "[ . 1 . 2]" 1
899 1 67 MET HA 1 67 MET HG2 . . 3.760 2.420 2.197 2.856 . 0 0 "[ . 1 . 2]" 1
900 1 67 MET HA 1 67 MET HG3 . . 4.030 3.571 3.508 3.610 . 0 0 "[ . 1 . 2]" 1
901 1 67 MET HA 1 69 VAL H . . 4.030 4.033 3.997 4.065 0.035 20 0 "[ . 1 . 2]" 1
902 1 67 MET HA 1 70 LEU H . . 4.410 4.037 3.855 4.107 . 0 0 "[ . 1 . 2]" 1
903 1 67 MET HA 1 70 LEU HB3 . . 4.920 4.684 4.374 4.836 . 0 0 "[ . 1 . 2]" 1
904 1 67 MET HA 1 71 MET H . . 4.860 4.300 4.113 4.443 . 0 0 "[ . 1 . 2]" 1
905 1 67 MET HB2 1 68 PRO HD2 . . 3.660 2.509 2.457 2.628 . 0 0 "[ . 1 . 2]" 1
906 1 67 MET HB2 1 68 PRO HD3 . . 3.320 2.070 1.929 2.272 . 0 0 "[ . 1 . 2]" 1
907 1 67 MET HB3 1 67 MET ME . . 3.390 3.024 1.904 3.415 0.025 4 0 "[ . 1 . 2]" 1
908 1 67 MET HB3 1 68 PRO HD3 . . 2.970 2.371 2.170 2.672 . 0 0 "[ . 1 . 2]" 1
909 1 67 MET ME 1 67 MET HG2 . . 3.650 2.372 2.069 3.357 . 0 0 "[ . 1 . 2]" 1
910 1 67 MET ME 1 67 MET HG3 . . 3.410 3.183 2.736 3.322 . 0 0 "[ . 1 . 2]" 1
911 1 67 MET ME 1 68 PRO HD2 . . 5.300 5.035 4.561 5.349 0.049 11 0 "[ . 1 . 2]" 1
912 1 67 MET ME 1 68 PRO HD3 . . 5.500 4.822 4.024 5.160 . 0 0 "[ . 1 . 2]" 1
913 1 67 MET ME 1 70 LEU MD1 . . 3.860 2.620 2.261 2.994 . 0 0 "[ . 1 . 2]" 1
914 1 67 MET ME 1 70 LEU QD . . 3.320 2.025 1.833 2.477 . 0 0 "[ . 1 . 2]" 1
915 1 67 MET ME 1 70 LEU MD2 . . 3.860 2.165 1.870 2.959 . 0 0 "[ . 1 . 2]" 1
916 1 67 MET ME 1 81 TRP HH2 . . 5.500 5.470 5.260 5.618 0.118 20 0 "[ . 1 . 2]" 1
917 1 67 MET HG2 1 68 PRO HD2 . . 4.970 4.612 4.369 4.781 . 0 0 "[ . 1 . 2]" 1
918 1 67 MET HG2 1 70 LEU QD . . 3.930 3.558 3.327 3.875 . 0 0 "[ . 1 . 2]" 1
919 1 67 MET HG3 1 68 PRO HD2 . . 4.980 4.811 4.668 4.945 . 0 0 "[ . 1 . 2]" 1
920 1 67 MET HG3 1 68 PRO HD3 . . 5.500 4.150 4.093 4.223 . 0 0 "[ . 1 . 2]" 1
921 1 68 PRO HA 1 70 LEU H . . 5.400 4.935 4.713 5.004 . 0 0 "[ . 1 . 2]" 1
922 1 68 PRO HA 1 71 MET H . . 3.960 3.885 3.708 3.973 0.013 18 0 "[ . 1 . 2]" 1
923 1 68 PRO HA 1 71 MET QB . . 4.850 3.430 2.757 3.616 . 0 0 "[ . 1 . 2]" 1
924 1 68 PRO HA 1 71 MET HG2 . . 4.880 2.271 1.934 4.989 0.109 2 0 "[ . 1 . 2]" 1
925 1 68 PRO HA 1 71 MET QG . . 4.150 2.156 1.870 4.117 . 0 0 "[ . 1 . 2]" 1
926 1 68 PRO HA 1 71 MET HG3 . . 4.880 3.230 2.314 4.386 . 0 0 "[ . 1 . 2]" 1
927 1 68 PRO HA 1 72 LYS H . . 4.550 4.456 4.112 4.567 0.017 7 0 "[ . 1 . 2]" 1
928 1 68 PRO HB2 1 69 VAL H . . 3.910 3.710 3.661 3.747 . 0 0 "[ . 1 . 2]" 1
929 1 68 PRO HB2 1 69 VAL MG2 . . 4.470 3.872 3.835 3.915 . 0 0 "[ . 1 . 2]" 1
930 1 68 PRO HB3 1 69 VAL H . . 4.480 4.343 4.314 4.364 . 0 0 "[ . 1 . 2]" 1
931 1 68 PRO HD2 1 69 VAL H . . 3.670 2.774 2.744 2.797 . 0 0 "[ . 1 . 2]" 1
932 1 68 PRO HD2 1 96 ILE MD . . 5.500 5.056 4.974 5.134 . 0 0 "[ . 1 . 2]" 1
933 1 68 PRO HD3 1 69 VAL MG2 . . 5.420 5.093 5.007 5.249 . 0 0 "[ . 1 . 2]" 1
934 1 68 PRO HG2 1 69 VAL H . . 3.250 2.818 2.740 2.875 . 0 0 "[ . 1 . 2]" 1
935 1 68 PRO HG2 1 96 ILE MD . . 5.500 4.994 4.901 5.085 . 0 0 "[ . 1 . 2]" 1
936 1 68 PRO HG3 1 69 VAL MG2 . . 4.800 4.443 4.386 4.530 . 0 0 "[ . 1 . 2]" 1
937 1 69 VAL H 1 69 VAL HB . . 2.770 2.347 2.296 2.372 . 0 0 "[ . 1 . 2]" 1
938 1 69 VAL H 1 69 VAL MG1 . . 4.160 3.712 3.673 3.728 . 0 0 "[ . 1 . 2]" 1
939 1 69 VAL H 1 69 VAL MG2 . . 2.870 2.650 2.578 2.765 . 0 0 "[ . 1 . 2]" 1
940 1 69 VAL H 1 70 LEU H . . 3.040 2.585 2.488 2.625 . 0 0 "[ . 1 . 2]" 1
941 1 69 VAL H 1 70 LEU HA . . 5.490 5.182 5.129 5.210 . 0 0 "[ . 1 . 2]" 1
942 1 69 VAL H 1 70 LEU HB3 . . 4.920 4.933 4.730 5.042 0.122 2 0 "[ . 1 . 2]" 1
943 1 69 VAL H 1 70 LEU QD . . 4.350 4.118 4.050 4.254 . 0 0 "[ . 1 . 2]" 1
944 1 69 VAL H 1 71 MET H . . 4.160 3.829 3.768 3.879 . 0 0 "[ . 1 . 2]" 1
945 1 69 VAL H 1 72 LYS H . . 4.830 4.618 4.476 4.719 . 0 0 "[ . 1 . 2]" 1
946 1 69 VAL HA 1 69 VAL MG1 . . 3.010 2.462 2.435 2.526 . 0 0 "[ . 1 . 2]" 1
947 1 69 VAL HA 1 69 VAL MG2 . . 2.870 2.272 2.224 2.313 . 0 0 "[ . 1 . 2]" 1
948 1 69 VAL HA 1 71 MET H . . 4.590 4.562 4.379 4.643 0.053 16 0 "[ . 1 . 2]" 1
949 1 69 VAL HA 1 72 LYS H . . 3.810 3.614 3.437 3.674 . 0 0 "[ . 1 . 2]" 1
950 1 69 VAL HA 1 72 LYS HA . . 5.460 5.458 5.210 5.557 0.097 12 0 "[ . 1 . 2]" 1
951 1 69 VAL HA 1 72 LYS HB3 . . 3.410 3.308 2.985 3.410 . 0 0 "[ . 1 . 2]" 1
952 1 69 VAL HA 1 95 ALA MB . . 4.360 3.687 3.539 3.852 . 0 0 "[ . 1 . 2]" 1
953 1 69 VAL HB 1 70 LEU H . . 2.760 2.392 2.329 2.591 . 0 0 "[ . 1 . 2]" 1
954 1 69 VAL HB 1 70 LEU HA . . 4.710 4.433 4.378 4.564 . 0 0 "[ . 1 . 2]" 1
955 1 69 VAL HB 1 95 ALA MB . . 4.190 4.185 4.102 4.218 0.028 10 0 "[ . 1 . 2]" 1
956 1 69 VAL HB 1 96 ILE MD . . 5.500 2.918 2.768 3.124 . 0 0 "[ . 1 . 2]" 1
957 1 69 VAL MG1 1 72 LYS H . . 5.300 4.394 4.300 4.573 . 0 0 "[ . 1 . 2]" 1
958 1 69 VAL MG1 1 95 ALA H . . 4.160 4.151 4.053 4.204 0.044 15 0 "[ . 1 . 2]" 1
959 1 69 VAL MG1 1 95 ALA MB . . 2.660 1.976 1.902 2.039 . 0 0 "[ . 1 . 2]" 1
960 1 69 VAL MG1 1 96 ILE HB . . 4.860 4.679 4.539 4.861 0.001 11 0 "[ . 1 . 2]" 1
961 1 69 VAL MG2 1 70 LEU H . . 4.340 3.876 3.835 3.990 . 0 0 "[ . 1 . 2]" 1
962 1 69 VAL MG2 1 95 ALA MB . . 3.790 2.305 2.175 2.531 . 0 0 "[ . 1 . 2]" 1
963 1 69 VAL MG2 1 96 ILE H . . 4.020 3.807 3.653 3.939 . 0 0 "[ . 1 . 2]" 1
964 1 69 VAL MG2 1 96 ILE HB . . 5.500 4.950 4.836 5.093 . 0 0 "[ . 1 . 2]" 1
965 1 69 VAL MG2 1 96 ILE MG . . 4.390 4.149 4.014 4.283 . 0 0 "[ . 1 . 2]" 1
966 1 70 LEU H 1 70 LEU HB3 . . 3.110 2.460 2.365 2.534 . 0 0 "[ . 1 . 2]" 1
967 1 70 LEU H 1 70 LEU QD . . 4.660 2.885 2.808 2.996 . 0 0 "[ . 1 . 2]" 1
968 1 70 LEU H 1 70 LEU HG . . 4.010 2.378 2.237 2.587 . 0 0 "[ . 1 . 2]" 1
969 1 70 LEU H 1 71 MET H . . 3.220 2.713 2.552 2.762 . 0 0 "[ . 1 . 2]" 1
970 1 70 LEU H 1 71 MET HA . . 5.500 5.309 5.181 5.347 . 0 0 "[ . 1 . 2]" 1
971 1 70 LEU H 1 72 LYS H . . 4.610 3.972 3.870 4.026 . 0 0 "[ . 1 . 2]" 1
972 1 70 LEU HA 1 70 LEU QD . . 3.840 3.365 3.299 3.402 . 0 0 "[ . 1 . 2]" 1
973 1 70 LEU HA 1 72 LYS H . . 4.590 3.878 3.835 4.003 . 0 0 "[ . 1 . 2]" 1
974 1 70 LEU HA 1 73 LEU H . . 3.790 3.455 3.356 3.718 . 0 0 "[ . 1 . 2]" 1
975 1 70 LEU HA 1 73 LEU MD1 . . 2.780 2.583 2.437 2.818 0.038 4 0 "[ . 1 . 2]" 1
976 1 70 LEU HA 1 73 LEU HG . . 3.190 2.304 2.057 2.831 . 0 0 "[ . 1 . 2]" 1
977 1 70 LEU HA 1 84 ILE MD . . 5.330 5.220 5.079 5.352 0.022 8 0 "[ . 1 . 2]" 1
978 1 70 LEU HA 1 84 ILE MG . . 5.500 4.592 4.289 4.752 . 0 0 "[ . 1 . 2]" 1
979 1 70 LEU HB2 1 74 LEU MD1 . . 5.500 5.035 2.892 5.570 0.070 15 0 "[ . 1 . 2]" 1
980 1 70 LEU HB2 1 74 LEU QD . . 4.370 3.160 2.876 3.317 . 0 0 "[ . 1 . 2]" 1
981 1 70 LEU HB2 1 74 LEU MD2 . . 5.500 3.619 3.090 5.500 0.000 20 0 "[ . 1 . 2]" 1
982 1 70 LEU HB2 1 84 ILE MD . . 5.500 5.396 5.226 5.544 0.044 17 0 "[ . 1 . 2]" 1
983 1 70 LEU HB3 1 70 LEU MD1 . . 3.590 3.108 3.089 3.125 . 0 0 "[ . 1 . 2]" 1
984 1 70 LEU HB3 1 70 LEU QD . . 2.900 2.124 2.064 2.148 . 0 0 "[ . 1 . 2]" 1
985 1 70 LEU HB3 1 70 LEU MD2 . . 3.590 2.162 2.096 2.188 . 0 0 "[ . 1 . 2]" 1
986 1 70 LEU HB3 1 71 MET H . . 3.890 3.833 3.771 3.860 . 0 0 "[ . 1 . 2]" 1
987 1 70 LEU QD 1 71 MET H . . 3.690 2.519 2.211 2.743 . 0 0 "[ . 1 . 2]" 1
988 1 70 LEU QD 1 71 MET HA . . 4.570 2.556 2.454 2.710 . 0 0 "[ . 1 . 2]" 1
989 1 70 LEU QD 1 71 MET QB . . 2.660 2.697 2.601 2.900 0.240 10 0 "[ . 1 . 2]" 1
990 1 70 LEU QD 1 71 MET QG . . 4.320 3.735 1.934 4.133 . 0 0 "[ . 1 . 2]" 1
991 1 70 LEU QD 1 72 LYS H . . 4.430 4.246 4.179 4.403 . 0 0 "[ . 1 . 2]" 1
992 1 70 LEU QD 1 74 LEU H . . 5.440 4.360 4.217 4.509 . 0 0 "[ . 1 . 2]" 1
993 1 70 LEU QD 1 74 LEU QD . . 4.140 2.419 1.876 2.712 . 0 0 "[ . 1 . 2]" 1
994 1 70 LEU QD 1 81 TRP HH2 . . 3.780 2.370 1.922 2.921 . 0 0 "[ . 1 . 2]" 1
995 1 70 LEU QD 1 81 TRP HZ2 . . 4.090 3.369 3.132 3.628 . 0 0 "[ . 1 . 2]" 1
996 1 70 LEU QD 1 84 ILE MD . . 5.040 4.986 4.675 5.089 0.049 2 0 "[ . 1 . 2]" 1
997 1 70 LEU MD1 1 72 LYS H . . 5.500 4.391 4.300 4.598 . 0 0 "[ . 1 . 2]" 1
998 1 70 LEU MD2 1 72 LYS H . . 5.500 5.650 5.617 5.693 0.193 17 0 "[ . 1 . 2]" 1
999 1 70 LEU HG 1 71 MET H . . 4.350 1.897 1.872 1.938 . 0 0 "[ . 1 . 2]" 1
1000 1 71 MET H 1 71 MET QB . . 2.720 2.269 2.079 2.337 . 0 0 "[ . 1 . 2]" 1
1001 1 71 MET H 1 71 MET QG . . 2.960 2.594 2.441 3.062 0.102 10 0 "[ . 1 . 2]" 1
1002 1 71 MET H 1 72 LYS H . . 3.070 2.629 2.519 2.673 . 0 0 "[ . 1 . 2]" 1
1003 1 71 MET H 1 73 LEU H . . 4.350 4.252 4.228 4.324 . 0 0 "[ . 1 . 2]" 1
1004 1 71 MET H 1 74 LEU QD . . 4.230 4.088 3.772 4.261 0.031 6 0 "[ . 1 . 2]" 1
1005 1 71 MET HA 1 71 MET QG . . 3.620 3.270 2.534 3.421 . 0 0 "[ . 1 . 2]" 1
1006 1 71 MET HA 1 74 LEU H . . 3.680 3.423 3.186 3.561 . 0 0 "[ . 1 . 2]" 1
1007 1 71 MET HA 1 74 LEU HB2 . . 4.020 2.880 2.626 3.087 . 0 0 "[ . 1 . 2]" 1
1008 1 71 MET HA 1 74 LEU QD . . 3.780 2.529 1.957 2.976 . 0 0 "[ . 1 . 2]" 1
1009 1 71 MET QB 1 71 MET QG . . 2.250 2.058 2.003 2.092 . 0 0 "[ . 1 . 2]" 1
1010 1 71 MET QB 1 74 LEU QD . . 4.980 4.069 3.439 4.406 . 0 0 "[ . 1 . 2]" 1
1011 1 71 MET HB2 1 74 LEU HB2 . . 5.500 4.613 4.142 5.572 0.072 10 0 "[ . 1 . 2]" 1
1012 1 71 MET HB3 1 74 LEU HB2 . . 5.500 5.287 4.734 5.535 0.035 17 0 "[ . 1 . 2]" 1
1013 1 71 MET QG 1 72 LYS H . . 4.900 2.628 2.204 4.630 . 0 0 "[ . 1 . 2]" 1
1014 1 72 LYS H 1 72 LYS HB2 . . 2.750 2.465 2.319 2.716 . 0 0 "[ . 1 . 2]" 1
1015 1 72 LYS H 1 72 LYS HB3 . . 2.800 2.610 2.348 2.739 . 0 0 "[ . 1 . 2]" 1
1016 1 72 LYS H 1 72 LYS QE . . 5.340 4.380 3.900 5.355 0.015 20 0 "[ . 1 . 2]" 1
1017 1 72 LYS H 1 72 LYS QG . . 4.370 4.024 3.946 4.067 . 0 0 "[ . 1 . 2]" 1
1018 1 72 LYS H 1 73 LEU H . . 3.020 2.526 2.474 2.628 . 0 0 "[ . 1 . 2]" 1
1019 1 72 LYS H 1 73 LEU MD2 . . 4.320 4.059 3.769 4.344 0.024 4 0 "[ . 1 . 2]" 1
1020 1 72 LYS H 1 73 LEU HG . . 4.040 3.682 3.610 3.803 . 0 0 "[ . 1 . 2]" 1
1021 1 72 LYS H 1 74 LEU H . . 4.770 4.274 4.178 4.361 . 0 0 "[ . 1 . 2]" 1
1022 1 72 LYS H 1 74 LEU QD . . 4.940 4.461 4.236 4.702 . 0 0 "[ . 1 . 2]" 1
1023 1 72 LYS H 1 75 GLU H . . 5.190 4.778 4.612 4.866 . 0 0 "[ . 1 . 2]" 1
1024 1 72 LYS HA 1 72 LYS QE . . 3.550 2.931 1.959 3.599 0.049 13 0 "[ . 1 . 2]" 1
1025 1 72 LYS HA 1 72 LYS HG2 . . 4.010 3.616 2.397 3.865 . 0 0 "[ . 1 . 2]" 1
1026 1 72 LYS HA 1 72 LYS QG . . 3.340 2.593 2.246 3.086 . 0 0 "[ . 1 . 2]" 1
1027 1 72 LYS HA 1 72 LYS HG3 . . 4.010 2.701 2.282 3.289 . 0 0 "[ . 1 . 2]" 1
1028 1 72 LYS HA 1 73 LEU H . . 3.560 3.489 3.485 3.514 . 0 0 "[ . 1 . 2]" 1
1029 1 72 LYS HA 1 75 GLU H . . 3.710 3.595 3.371 3.729 0.019 8 0 "[ . 1 . 2]" 1
1030 1 72 LYS HA 1 75 GLU QB . . 3.100 2.609 2.276 3.012 . 0 0 "[ . 1 . 2]" 1
1031 1 72 LYS HA 1 75 GLU QG . . 3.560 2.973 2.056 3.582 0.022 20 0 "[ . 1 . 2]" 1
1032 1 72 LYS HB2 1 72 LYS QE . . 4.000 2.723 1.985 3.982 . 0 0 "[ . 1 . 2]" 1
1033 1 72 LYS HB2 1 75 GLU QG . . 5.180 5.037 4.361 5.331 0.151 20 0 "[ . 1 . 2]" 1
1034 1 72 LYS HB3 1 73 LEU H . . 3.370 2.864 2.794 2.889 . 0 0 "[ . 1 . 2]" 1
1035 1 72 LYS HB3 1 74 LEU H . . 5.500 5.295 5.166 5.378 . 0 0 "[ . 1 . 2]" 1
1036 1 72 LYS QE 1 72 LYS QG . . 3.020 2.196 1.964 2.640 . 0 0 "[ . 1 . 2]" 1
1037 1 72 LYS QE 1 75 GLU QG . . 5.180 3.947 2.278 5.183 0.003 13 0 "[ . 1 . 2]" 1
1038 1 72 LYS QG 1 73 LEU HA . . 4.390 4.038 3.367 4.432 0.042 13 0 "[ . 1 . 2]" 1
1039 1 72 LYS QG 1 75 GLU QG . . 5.180 4.448 3.279 5.194 0.014 8 0 "[ . 1 . 2]" 1
1040 1 73 LEU H 1 73 LEU HB3 . . 3.760 3.579 3.564 3.604 . 0 0 "[ . 1 . 2]" 1
1041 1 73 LEU H 1 73 LEU MD2 . . 3.450 2.605 2.400 2.844 . 0 0 "[ . 1 . 2]" 1
1042 1 73 LEU H 1 73 LEU HG . . 2.720 1.944 1.896 1.991 . 0 0 "[ . 1 . 2]" 1
1043 1 73 LEU H 1 74 LEU H . . 2.780 2.562 2.413 2.627 . 0 0 "[ . 1 . 2]" 1
1044 1 73 LEU H 1 75 GLU H . . 4.080 3.736 3.602 3.827 . 0 0 "[ . 1 . 2]" 1
1045 1 73 LEU H 1 84 ILE MD . . 4.640 4.292 4.236 4.355 . 0 0 "[ . 1 . 2]" 1
1046 1 73 LEU HA 1 73 LEU MD1 . . 3.990 3.909 3.854 3.979 . 0 0 "[ . 1 . 2]" 1
1047 1 73 LEU HA 1 73 LEU MD2 . . 2.840 2.354 2.282 2.441 . 0 0 "[ . 1 . 2]" 1
1048 1 73 LEU HA 1 73 LEU HG . . 3.740 3.468 3.391 3.537 . 0 0 "[ . 1 . 2]" 1
1049 1 73 LEU HA 1 74 LEU HA . . 5.500 4.766 4.717 4.805 . 0 0 "[ . 1 . 2]" 1
1050 1 73 LEU HA 1 74 LEU QD . . 5.440 4.450 4.106 5.321 . 0 0 "[ . 1 . 2]" 1
1051 1 73 LEU HA 1 77 ALA MB . . 5.500 4.292 3.841 4.526 . 0 0 "[ . 1 . 2]" 1
1052 1 73 LEU HA 1 84 ILE QG . . 4.850 4.192 3.930 4.480 . 0 0 "[ . 1 . 2]" 1
1053 1 73 LEU HB2 1 73 LEU MD1 . . 2.740 2.379 2.228 2.458 . 0 0 "[ . 1 . 2]" 1
1054 1 73 LEU HB2 1 74 LEU H . . 3.160 2.456 2.331 2.627 . 0 0 "[ . 1 . 2]" 1
1055 1 73 LEU HB2 1 74 LEU HG . . 5.180 4.774 3.045 5.257 0.077 18 0 "[ . 1 . 2]" 1
1056 1 73 LEU HB2 1 75 GLU H . . 4.800 4.657 4.583 4.762 . 0 0 "[ . 1 . 2]" 1
1057 1 73 LEU HB2 1 77 ALA H . . 5.500 5.483 5.274 5.551 0.051 17 0 "[ . 1 . 2]" 1
1058 1 73 LEU HB2 1 84 ILE MD . . 3.470 2.095 1.968 2.256 . 0 0 "[ . 1 . 2]" 1
1059 1 73 LEU HB2 1 84 ILE QG . . 4.340 3.357 2.634 3.630 . 0 0 "[ . 1 . 2]" 1
1060 1 73 LEU HB3 1 73 LEU MD1 . . 3.490 2.321 2.233 2.462 . 0 0 "[ . 1 . 2]" 1
1061 1 73 LEU HB3 1 73 LEU MD2 . . 3.250 2.364 2.332 2.404 . 0 0 "[ . 1 . 2]" 1
1062 1 73 LEU HB3 1 84 ILE MD . . 3.340 2.535 2.174 3.032 . 0 0 "[ . 1 . 2]" 1
1063 1 73 LEU HB3 1 84 ILE MG . . 3.030 2.582 2.218 3.070 0.040 8 0 "[ . 1 . 2]" 1
1064 1 73 LEU MD1 1 74 LEU H . . 4.800 4.260 4.113 4.490 . 0 0 "[ . 1 . 2]" 1
1065 1 73 LEU MD1 1 84 ILE HB . . 4.660 4.327 4.105 4.442 . 0 0 "[ . 1 . 2]" 1
1066 1 73 LEU MD1 1 84 ILE MD . . 3.390 3.256 2.940 3.429 0.039 20 0 "[ . 1 . 2]" 1
1067 1 73 LEU MD1 1 91 ALA HA . . 5.300 4.403 4.096 4.566 . 0 0 "[ . 1 . 2]" 1
1068 1 73 LEU MD2 1 74 LEU H . . 5.190 4.364 4.278 4.442 . 0 0 "[ . 1 . 2]" 1
1069 1 73 LEU MD2 1 74 LEU QD . . 5.440 4.496 4.195 5.238 . 0 0 "[ . 1 . 2]" 1
1070 1 73 LEU MD2 1 84 ILE HA . . 5.500 5.437 5.080 5.545 0.045 5 0 "[ . 1 . 2]" 1
1071 1 73 LEU MD2 1 84 ILE MD . . 4.400 4.182 3.883 4.486 0.086 4 0 "[ . 1 . 2]" 1
1072 1 73 LEU MD2 1 95 ALA MB . . 3.640 3.301 3.139 3.599 . 0 0 "[ . 1 . 2]" 1
1073 1 74 LEU H 1 74 LEU HB2 . . 2.720 2.376 2.323 2.534 . 0 0 "[ . 1 . 2]" 1
1074 1 74 LEU H 1 74 LEU HB3 . . 3.620 3.570 3.555 3.595 . 0 0 "[ . 1 . 2]" 1
1075 1 74 LEU H 1 74 LEU MD1 . . 4.240 3.315 2.527 3.538 . 0 0 "[ . 1 . 2]" 1
1076 1 74 LEU H 1 74 LEU QD . . 3.470 2.073 1.891 2.857 . 0 0 "[ . 1 . 2]" 1
1077 1 74 LEU H 1 74 LEU MD2 . . 4.240 2.327 1.903 3.943 . 0 0 "[ . 1 . 2]" 1
1078 1 74 LEU H 1 74 LEU HG . . 4.000 3.607 2.434 3.921 . 0 0 "[ . 1 . 2]" 1
1079 1 74 LEU H 1 75 GLU H . . 2.940 2.584 2.461 2.680 . 0 0 "[ . 1 . 2]" 1
1080 1 74 LEU H 1 79 GLY H . . 5.440 5.241 5.074 5.410 . 0 0 "[ . 1 . 2]" 1
1081 1 74 LEU H 1 84 ILE MD . . 3.710 2.973 2.795 3.286 . 0 0 "[ . 1 . 2]" 1
1082 1 74 LEU HA 1 74 LEU MD1 . . 3.800 2.265 1.831 3.878 0.078 20 0 "[ . 1 . 2]" 1
1083 1 74 LEU HA 1 74 LEU QD . . 3.260 2.027 1.817 2.929 . 0 0 "[ . 1 . 2]" 1
1084 1 74 LEU HA 1 74 LEU MD2 . . 3.800 2.859 2.658 3.076 . 0 0 "[ . 1 . 2]" 1
1085 1 74 LEU HA 1 74 LEU HG . . 3.930 3.493 2.611 3.707 . 0 0 "[ . 1 . 2]" 1
1086 1 74 LEU HA 1 75 GLU HA . . 5.500 4.827 4.764 4.857 . 0 0 "[ . 1 . 2]" 1
1087 1 74 LEU HA 1 76 GLU H . . 4.770 4.545 4.343 4.691 . 0 0 "[ . 1 . 2]" 1
1088 1 74 LEU HA 1 77 ALA H . . 3.760 3.331 3.192 3.614 . 0 0 "[ . 1 . 2]" 1
1089 1 74 LEU HA 1 77 ALA MB . . 3.390 2.334 2.117 2.682 . 0 0 "[ . 1 . 2]" 1
1090 1 74 LEU HA 1 78 GLY H . . 4.540 4.036 3.501 4.250 . 0 0 "[ . 1 . 2]" 1
1091 1 74 LEU HA 1 79 GLY H . . 4.060 2.617 2.346 2.755 . 0 0 "[ . 1 . 2]" 1
1092 1 74 LEU HA 1 79 GLY HA2 . . 4.390 3.039 2.545 3.252 . 0 0 "[ . 1 . 2]" 1
1093 1 74 LEU HA 1 80 ASN H . . 5.500 3.095 3.028 3.127 . 0 0 "[ . 1 . 2]" 1
1094 1 74 LEU HA 1 84 ILE MD . . 3.450 2.247 2.167 2.558 . 0 0 "[ . 1 . 2]" 1
1095 1 74 LEU HB2 1 74 LEU MD1 . . 3.580 2.936 1.944 3.186 . 0 0 "[ . 1 . 2]" 1
1096 1 74 LEU HB2 1 74 LEU MD2 . . 3.580 2.404 2.177 3.076 . 0 0 "[ . 1 . 2]" 1
1097 1 74 LEU HB2 1 75 GLU H . . 3.070 3.034 2.997 3.050 . 0 0 "[ . 1 . 2]" 1
1098 1 74 LEU HB2 1 79 GLY HA2 . . 4.520 3.806 3.622 3.885 . 0 0 "[ . 1 . 2]" 1
1099 1 74 LEU HB3 1 74 LEU MD1 . . 3.600 2.489 2.372 2.937 . 0 0 "[ . 1 . 2]" 1
1100 1 74 LEU HB3 1 74 LEU MD2 . . 3.600 2.965 1.941 3.191 . 0 0 "[ . 1 . 2]" 1
1101 1 74 LEU HB3 1 75 GLU H . . 4.160 3.865 3.783 4.024 . 0 0 "[ . 1 . 2]" 1
1102 1 74 LEU HB3 1 79 GLY H . . 4.390 3.138 2.970 3.718 . 0 0 "[ . 1 . 2]" 1
1103 1 74 LEU HB3 1 79 GLY HA2 . . 3.590 2.113 1.876 2.203 . 0 0 "[ . 1 . 2]" 1
1104 1 74 LEU HB3 1 84 ILE MD . . 4.480 3.980 3.543 4.314 . 0 0 "[ . 1 . 2]" 1
1105 1 74 LEU QD 1 75 GLU H . . 4.100 3.798 3.660 4.065 . 0 0 "[ . 1 . 2]" 1
1106 1 74 LEU QD 1 77 ALA MB . . 4.510 3.008 2.614 4.202 . 0 0 "[ . 1 . 2]" 1
1107 1 74 LEU QD 1 79 GLY H . . 4.220 2.914 2.690 3.937 . 0 0 "[ . 1 . 2]" 1
1108 1 74 LEU QD 1 79 GLY HA2 . . 3.880 1.889 1.866 1.931 . 0 0 "[ . 1 . 2]" 1
1109 1 74 LEU QD 1 79 GLY HA3 . . 4.050 3.238 3.074 3.324 . 0 0 "[ . 1 . 2]" 1
1110 1 74 LEU QD 1 80 ASN H . . 4.790 2.441 2.122 3.516 . 0 0 "[ . 1 . 2]" 1
1111 1 74 LEU QD 1 81 TRP H . . 4.510 3.459 3.178 3.752 . 0 0 "[ . 1 . 2]" 1
1112 1 74 LEU QD 1 81 TRP HA . . 4.190 3.086 2.792 3.511 . 0 0 "[ . 1 . 2]" 1
1113 1 74 LEU QD 1 81 TRP HD1 . . 3.790 3.075 2.814 3.467 . 0 0 "[ . 1 . 2]" 1
1114 1 74 LEU QD 1 81 TRP HE1 . . 3.280 2.552 2.458 2.689 . 0 0 "[ . 1 . 2]" 1
1115 1 74 LEU QD 1 81 TRP HH2 . . 4.370 2.915 2.646 3.187 . 0 0 "[ . 1 . 2]" 1
1116 1 74 LEU QD 1 84 ILE MD . . 3.160 1.792 1.632 2.240 . 0 0 "[ . 1 . 2]" 1
1117 1 74 LEU QD 1 84 ILE MG . . 3.060 3.034 2.783 3.273 0.213 8 0 "[ . 1 . 2]" 1
1118 1 74 LEU MD1 1 75 GLU H . . 5.240 4.554 4.010 4.686 . 0 0 "[ . 1 . 2]" 1
1119 1 74 LEU MD1 1 77 ALA MB . . 5.500 3.315 2.652 5.349 . 0 0 "[ . 1 . 2]" 1
1120 1 74 LEU MD1 1 79 GLY HA2 . . 4.590 2.325 1.872 4.252 . 0 0 "[ . 1 . 2]" 1
1121 1 74 LEU MD1 1 79 GLY HA3 . . 5.340 3.678 3.255 5.415 0.075 8 0 "[ . 1 . 2]" 1
1122 1 74 LEU MD1 1 81 TRP HA . . 5.500 3.504 2.855 5.346 . 0 0 "[ . 1 . 2]" 1
1123 1 74 LEU MD1 1 81 TRP HE1 . . 4.220 2.844 2.486 4.224 0.004 8 0 "[ . 1 . 2]" 1
1124 1 74 LEU MD1 1 81 TRP HH2 . . 5.500 4.352 2.678 4.825 . 0 0 "[ . 1 . 2]" 1
1125 1 74 LEU MD1 1 81 TRP HZ2 . . 4.090 3.455 2.352 3.794 . 0 0 "[ . 1 . 2]" 1
1126 1 74 LEU MD1 1 84 ILE MD . . 3.780 2.076 1.794 3.177 . 0 0 "[ . 1 . 2]" 1
1127 1 74 LEU MD1 1 84 ILE MG . . 3.570 3.639 3.571 3.683 0.113 5 0 "[ . 1 . 2]" 1
1128 1 74 LEU MD2 1 75 GLU H . . 5.240 4.186 3.844 5.127 . 0 0 "[ . 1 . 2]" 1
1129 1 74 LEU MD2 1 77 ALA MB . . 5.500 4.097 3.832 4.570 . 0 0 "[ . 1 . 2]" 1
1130 1 74 LEU MD2 1 79 GLY HA2 . . 4.590 3.691 1.870 4.157 . 0 0 "[ . 1 . 2]" 1
1131 1 74 LEU MD2 1 79 GLY HA3 . . 5.340 5.066 3.098 5.570 0.230 3 0 "[ . 1 . 2]" 1
1132 1 74 LEU MD2 1 81 TRP HA . . 5.500 4.157 3.168 4.762 . 0 0 "[ . 1 . 2]" 1
1133 1 74 LEU MD2 1 81 TRP HE1 . . 4.220 3.720 2.584 4.078 . 0 0 "[ . 1 . 2]" 1
1134 1 74 LEU MD2 1 81 TRP HH2 . . 5.500 3.143 2.777 4.120 . 0 0 "[ . 1 . 2]" 1
1135 1 74 LEU MD2 1 81 TRP HZ2 . . 4.090 2.916 2.662 3.194 . 0 0 "[ . 1 . 2]" 1
1136 1 74 LEU MD2 1 84 ILE MD . . 3.780 2.146 1.866 2.437 . 0 0 "[ . 1 . 2]" 1
1137 1 74 LEU MD2 1 84 ILE MG . . 3.570 3.277 2.888 3.754 0.184 8 0 "[ . 1 . 2]" 1
1138 1 74 LEU HG 1 79 GLY H . . 4.840 4.893 4.858 4.972 0.132 20 0 "[ . 1 . 2]" 1
1139 1 74 LEU HG 1 79 GLY HA2 . . 4.520 3.255 3.056 3.803 . 0 0 "[ . 1 . 2]" 1
1140 1 74 LEU HG 1 79 GLY HA3 . . 5.250 4.800 4.519 5.539 0.289 20 0 "[ . 1 . 2]" 1
1141 1 74 LEU HG 1 81 TRP HE1 . . 5.500 3.693 2.991 5.554 0.054 4 0 "[ . 1 . 2]" 1
1142 1 74 LEU HG 1 84 ILE MD . . 4.310 3.563 1.851 4.173 . 0 0 "[ . 1 . 2]" 1
1143 1 75 GLU H 1 75 GLU QB . . 2.540 2.135 2.055 2.339 . 0 0 "[ . 1 . 2]" 1
1144 1 75 GLU H 1 75 GLU QG . . 3.740 3.041 2.530 3.887 0.147 12 0 "[ . 1 . 2]" 1
1145 1 75 GLU H 1 76 GLU H . . 2.930 2.798 2.594 2.868 . 0 0 "[ . 1 . 2]" 1
1146 1 75 GLU H 1 76 GLU QG . . 4.790 4.379 3.768 4.809 0.019 20 0 "[ . 1 . 2]" 1
1147 1 75 GLU H 1 77 ALA H . . 4.350 3.853 3.810 4.075 . 0 0 "[ . 1 . 2]" 1
1148 1 75 GLU H 1 78 GLY H . . 4.910 4.719 4.346 4.902 . 0 0 "[ . 1 . 2]" 1
1149 1 75 GLU H 1 84 ILE MD . . 5.130 4.435 4.345 4.621 . 0 0 "[ . 1 . 2]" 1
1150 1 75 GLU HA 1 75 GLU QB . . 2.580 2.458 2.151 2.534 . 0 0 "[ . 1 . 2]" 1
1151 1 75 GLU HA 1 75 GLU HG2 . . 3.900 2.622 2.037 3.928 0.028 20 0 "[ . 1 . 2]" 1
1152 1 75 GLU HA 1 75 GLU QG . . 3.080 2.484 2.019 3.251 0.171 20 0 "[ . 1 . 2]" 1
1153 1 75 GLU HA 1 75 GLU HG3 . . 3.900 3.504 2.991 3.679 . 0 0 "[ . 1 . 2]" 1
1154 1 75 GLU QB 1 76 GLU H . . 3.000 2.493 2.342 3.048 0.048 17 0 "[ . 1 . 2]" 1
1155 1 76 GLU H 1 76 GLU HA . . 2.900 2.872 2.870 2.879 . 0 0 "[ . 1 . 2]" 1
1156 1 76 GLU H 1 76 GLU HB2 . . 3.330 2.607 2.306 3.555 0.225 7 0 "[ . 1 . 2]" 1
1157 1 76 GLU H 1 76 GLU QG . . 3.060 2.171 1.853 2.650 . 0 0 "[ . 1 . 2]" 1
1158 1 76 GLU H 1 77 ALA H . . 2.950 2.441 2.424 2.496 . 0 0 "[ . 1 . 2]" 1
1159 1 76 GLU H 1 78 GLY H . . 3.870 3.828 3.590 3.915 0.045 18 0 "[ . 1 . 2]" 1
1160 1 76 GLU H 1 79 GLY H . . 5.500 5.339 5.168 5.541 0.041 20 0 "[ . 1 . 2]" 1
1161 1 76 GLU H 1 84 ILE MD . . 5.500 4.991 4.780 5.451 . 0 0 "[ . 1 . 2]" 1
1162 1 76 GLU HA 1 76 GLU HB3 . . 2.930 2.421 2.324 2.565 . 0 0 "[ . 1 . 2]" 1
1163 1 76 GLU HA 1 76 GLU QG . . 3.350 2.824 2.266 3.301 . 0 0 "[ . 1 . 2]" 1
1164 1 76 GLU HB2 1 77 ALA H . . 3.230 2.820 2.564 3.403 0.173 7 0 "[ . 1 . 2]" 1
1165 1 76 GLU HB2 1 78 GLY H . . 4.790 4.760 4.679 4.867 0.077 7 0 "[ . 1 . 2]" 1
1166 1 76 GLU QG 1 77 ALA H . . 4.320 3.862 1.894 4.236 . 0 0 "[ . 1 . 2]" 1
1167 1 77 ALA H 1 77 ALA MB . . 2.740 2.247 2.195 2.286 . 0 0 "[ . 1 . 2]" 1
1168 1 77 ALA H 1 79 GLY H . . 3.910 3.727 3.629 3.906 . 0 0 "[ . 1 . 2]" 1
1169 1 77 ALA H 1 84 ILE MD . . 4.760 3.754 3.395 4.269 . 0 0 "[ . 1 . 2]" 1
1170 1 77 ALA HA 1 78 GLY H . . 3.460 3.278 3.216 3.421 . 0 0 "[ . 1 . 2]" 1
1171 1 77 ALA HA 1 79 GLY H . . 4.440 4.372 4.246 4.534 0.094 17 0 "[ . 1 . 2]" 1
1172 1 77 ALA HA 1 80 ASN H . . 5.000 4.454 4.216 5.028 0.028 20 0 "[ . 1 . 2]" 1
1173 1 77 ALA MB 1 78 GLY H . . 3.500 3.270 3.006 3.381 . 0 0 "[ . 1 . 2]" 1
1174 1 77 ALA MB 1 79 GLY H . . 3.620 2.700 2.423 2.877 . 0 0 "[ . 1 . 2]" 1
1175 1 77 ALA MB 1 79 GLY HA3 . . 5.500 4.884 4.808 4.978 . 0 0 "[ . 1 . 2]" 1
1176 1 77 ALA MB 1 80 ASN H . . 3.080 2.202 1.936 2.604 . 0 0 "[ . 1 . 2]" 1
1177 1 77 ALA MB 1 80 ASN HB2 . . 3.980 2.926 2.489 3.142 . 0 0 "[ . 1 . 2]" 1
1178 1 77 ALA MB 1 80 ASN HB3 . . 3.720 2.595 2.241 3.298 . 0 0 "[ . 1 . 2]" 1
1179 1 77 ALA MB 1 80 ASN HD21 . . 5.380 4.652 4.274 5.415 0.035 9 0 "[ . 1 . 2]" 1
1180 1 77 ALA MB 1 83 TYR HB2 . . 5.260 5.137 4.811 5.334 0.074 20 0 "[ . 1 . 2]" 1
1181 1 77 ALA MB 1 83 TYR HB3 . . 4.470 3.751 3.383 4.052 . 0 0 "[ . 1 . 2]" 1
1182 1 77 ALA MB 1 83 TYR QD . . 3.670 3.074 2.821 3.327 . 0 0 "[ . 1 . 2]" 1
1183 1 77 ALA MB 1 83 TYR QE . . 4.580 3.914 3.289 4.231 . 0 0 "[ . 1 . 2]" 1
1184 1 77 ALA MB 1 84 ILE HA . . 5.500 4.678 4.417 4.939 . 0 0 "[ . 1 . 2]" 1
1185 1 77 ALA MB 1 84 ILE MD . . 3.690 2.082 1.872 2.473 . 0 0 "[ . 1 . 2]" 1
1186 1 78 GLY H 1 78 GLY QA . . 2.480 2.209 2.192 2.263 . 0 0 "[ . 1 . 2]" 1
1187 1 78 GLY H 1 79 GLY H . . 3.130 2.692 2.399 2.774 . 0 0 "[ . 1 . 2]" 1
1188 1 78 GLY H 1 79 GLY HA2 . . 5.220 4.941 4.588 5.093 . 0 0 "[ . 1 . 2]" 1
1189 1 78 GLY H 1 80 ASN H . . 4.800 4.410 4.157 4.652 . 0 0 "[ . 1 . 2]" 1
1190 1 78 GLY QA 1 79 GLY H . . 3.070 2.868 2.842 2.911 . 0 0 "[ . 1 . 2]" 1
1191 1 79 GLY H 1 80 ASN H . . 3.320 2.303 2.160 2.366 . 0 0 "[ . 1 . 2]" 1
1192 1 79 GLY H 1 80 ASN HB2 . . 5.090 4.139 3.740 4.306 . 0 0 "[ . 1 . 2]" 1
1193 1 79 GLY HA2 1 80 ASN H . . 2.740 2.812 2.700 2.866 0.126 7 0 "[ . 1 . 2]" 1
1194 1 79 GLY HA3 1 81 TRP HE1 . . 5.450 5.033 4.827 5.412 . 0 0 "[ . 1 . 2]" 1
1195 1 80 ASN H 1 80 ASN HB2 . . 3.040 2.574 2.430 2.634 . 0 0 "[ . 1 . 2]" 1
1196 1 80 ASN H 1 80 ASN HB3 . . 3.100 3.023 2.964 3.134 0.034 4 0 "[ . 1 . 2]" 1
1197 1 80 ASN H 1 80 ASN HD21 . . 4.810 4.770 4.680 4.822 0.012 12 0 "[ . 1 . 2]" 1
1198 1 80 ASN H 1 81 TRP H . . 4.150 4.113 4.096 4.159 0.009 12 0 "[ . 1 . 2]" 1
1199 1 80 ASN H 1 81 TRP HA . . 4.790 4.797 4.781 4.850 0.060 8 0 "[ . 1 . 2]" 1
1200 1 80 ASN H 1 82 SER H . . 5.500 5.533 5.494 5.603 0.103 8 0 "[ . 1 . 2]" 1
1201 1 80 ASN H 1 84 ILE H . . 5.500 5.420 4.984 5.551 0.051 16 0 "[ . 1 . 2]" 1
1202 1 80 ASN H 1 84 ILE MD . . 4.210 2.835 2.243 3.082 . 0 0 "[ . 1 . 2]" 1
1203 1 80 ASN H 1 84 ILE QG . . 5.500 4.094 3.659 4.312 . 0 0 "[ . 1 . 2]" 1
1204 1 80 ASN HA 1 80 ASN HD21 . . 3.670 2.934 2.636 3.249 . 0 0 "[ . 1 . 2]" 1
1205 1 80 ASN HA 1 80 ASN HD22 . . 3.980 3.680 3.530 3.852 . 0 0 "[ . 1 . 2]" 1
1206 1 80 ASN HA 1 81 TRP H . . 2.840 2.169 2.154 2.186 . 0 0 "[ . 1 . 2]" 1
1207 1 80 ASN HA 1 82 SER H . . 3.600 3.406 3.373 3.497 . 0 0 "[ . 1 . 2]" 1
1208 1 80 ASN HA 1 83 TYR H . . 5.030 4.774 4.507 4.855 . 0 0 "[ . 1 . 2]" 1
1209 1 80 ASN HB2 1 81 TRP H . . 4.860 4.615 4.596 4.643 . 0 0 "[ . 1 . 2]" 1
1210 1 80 ASN HB3 1 80 ASN HD21 . . 3.500 2.478 2.359 2.606 . 0 0 "[ . 1 . 2]" 1
1211 1 80 ASN HB3 1 80 ASN HD22 . . 3.820 3.580 3.529 3.636 . 0 0 "[ . 1 . 2]" 1
1212 1 80 ASN HB3 1 83 TYR H . . 3.490 3.275 2.856 3.449 . 0 0 "[ . 1 . 2]" 1
1213 1 80 ASN HB3 1 84 ILE H . . 3.990 3.895 3.497 4.025 0.035 11 0 "[ . 1 . 2]" 1
1214 1 80 ASN HD21 1 82 SER QB . . 4.340 2.173 1.940 2.292 . 0 0 "[ . 1 . 2]" 1
1215 1 80 ASN HD21 1 83 TYR HB3 . . 4.390 3.634 3.243 4.043 . 0 0 "[ . 1 . 2]" 1
1216 1 80 ASN HD21 1 84 ILE H . . 4.750 4.001 3.746 4.380 . 0 0 "[ . 1 . 2]" 1
1217 1 80 ASN HD22 1 82 SER QB . . 3.960 2.055 1.874 2.382 . 0 0 "[ . 1 . 2]" 1
1218 1 80 ASN HD22 1 83 TYR HB3 . . 4.950 4.689 4.442 4.956 0.006 4 0 "[ . 1 . 2]" 1
1219 1 81 TRP H 1 81 TRP HB2 . . 3.630 2.471 2.389 2.516 . 0 0 "[ . 1 . 2]" 1
1220 1 81 TRP H 1 81 TRP QB . . 3.050 2.431 2.355 2.472 . 0 0 "[ . 1 . 2]" 1
1221 1 81 TRP H 1 81 TRP HB3 . . 3.630 3.613 3.581 3.631 0.001 12 0 "[ . 1 . 2]" 1
1222 1 81 TRP H 1 81 TRP HD1 . . 3.450 2.306 2.203 2.570 . 0 0 "[ . 1 . 2]" 1
1223 1 81 TRP H 1 81 TRP HE1 . . 4.960 4.601 4.514 4.749 . 0 0 "[ . 1 . 2]" 1
1224 1 81 TRP H 1 82 SER H . . 3.280 2.396 2.322 2.542 . 0 0 "[ . 1 . 2]" 1
1225 1 81 TRP H 1 82 SER QB . . 4.400 4.128 4.068 4.293 . 0 0 "[ . 1 . 2]" 1
1226 1 81 TRP H 1 83 TYR H . . 4.740 4.602 4.421 4.678 . 0 0 "[ . 1 . 2]" 1
1227 1 81 TRP H 1 84 ILE HB . . 5.500 4.771 4.580 4.900 . 0 0 "[ . 1 . 2]" 1
1228 1 81 TRP H 1 84 ILE MD . . 4.280 4.163 3.964 4.313 0.033 15 0 "[ . 1 . 2]" 1
1229 1 81 TRP HA 1 81 TRP HD1 . . 4.570 4.041 3.968 4.208 . 0 0 "[ . 1 . 2]" 1
1230 1 81 TRP HA 1 81 TRP HE3 . . 3.950 3.395 3.039 3.537 . 0 0 "[ . 1 . 2]" 1
1231 1 81 TRP HA 1 84 ILE H . . 3.590 3.230 3.149 3.327 . 0 0 "[ . 1 . 2]" 1
1232 1 81 TRP HA 1 84 ILE HB . . 3.640 2.035 2.003 2.099 . 0 0 "[ . 1 . 2]" 1
1233 1 81 TRP HA 1 84 ILE MD . . 3.520 2.728 2.494 2.866 . 0 0 "[ . 1 . 2]" 1
1234 1 81 TRP HA 1 84 ILE QG . . 4.060 3.450 3.341 3.711 . 0 0 "[ . 1 . 2]" 1
1235 1 81 TRP HA 1 84 ILE MG . . 3.650 3.497 3.407 3.624 . 0 0 "[ . 1 . 2]" 1
1236 1 81 TRP HA 1 85 LYS H . . 3.950 3.701 3.485 3.799 . 0 0 "[ . 1 . 2]" 1
1237 1 81 TRP HA 1 85 LYS HB3 . . 4.510 3.994 3.665 4.106 . 0 0 "[ . 1 . 2]" 1
1238 1 81 TRP QB 1 81 TRP HE3 . . 3.560 2.480 2.441 2.591 . 0 0 "[ . 1 . 2]" 1
1239 1 81 TRP QB 1 82 SER H . . 3.580 2.961 2.803 3.011 . 0 0 "[ . 1 . 2]" 1
1240 1 81 TRP QB 1 84 ILE MD . . 4.840 4.288 4.181 4.453 . 0 0 "[ . 1 . 2]" 1
1241 1 81 TRP QB 1 85 LYS HD2 . . 4.060 3.129 2.823 3.252 . 0 0 "[ . 1 . 2]" 1
1242 1 81 TRP HB2 1 82 SER H . . 4.090 3.051 2.889 3.105 . 0 0 "[ . 1 . 2]" 1
1243 1 81 TRP HB2 1 85 LYS HD2 . . 4.890 3.705 3.448 3.841 . 0 0 "[ . 1 . 2]" 1
1244 1 81 TRP HB3 1 82 SER H . . 4.090 3.996 3.780 4.073 . 0 0 "[ . 1 . 2]" 1
1245 1 81 TRP HB3 1 85 LYS HD2 . . 4.890 3.384 2.942 3.545 . 0 0 "[ . 1 . 2]" 1
1246 1 81 TRP HD1 1 82 SER H . . 4.930 4.461 4.349 4.682 . 0 0 "[ . 1 . 2]" 1
1247 1 81 TRP HE3 1 84 ILE HB . . 3.890 3.898 3.675 3.965 0.075 11 0 "[ . 1 . 2]" 1
1248 1 81 TRP HE3 1 84 ILE MD . . 4.410 4.190 4.021 4.413 0.003 9 0 "[ . 1 . 2]" 1
1249 1 81 TRP HE3 1 84 ILE MG . . 3.810 3.489 3.303 3.623 . 0 0 "[ . 1 . 2]" 1
1250 1 81 TRP HE3 1 85 LYS HB3 . . 4.120 3.940 3.323 4.136 0.016 16 0 "[ . 1 . 2]" 1
1251 1 81 TRP HE3 1 85 LYS HD2 . . 5.500 5.328 4.717 5.534 0.034 15 0 "[ . 1 . 2]" 1
1252 1 81 TRP HE3 1 89 TYR HE1 . . 3.830 2.394 2.020 2.527 . 0 0 "[ . 1 . 2]" 1
1253 1 81 TRP HZ3 1 84 ILE MG . . 4.160 4.097 3.730 4.203 0.043 11 0 "[ . 1 . 2]" 1
1254 1 82 SER H 1 82 SER QB . . 2.900 2.189 2.122 2.259 . 0 0 "[ . 1 . 2]" 1
1255 1 82 SER H 1 83 TYR H . . 3.220 2.893 2.788 2.928 . 0 0 "[ . 1 . 2]" 1
1256 1 82 SER H 1 83 TYR HB3 . . 5.080 4.925 4.853 4.949 . 0 0 "[ . 1 . 2]" 1
1257 1 82 SER H 1 84 ILE H . . 4.220 4.116 3.992 4.228 0.008 12 0 "[ . 1 . 2]" 1
1258 1 82 SER H 1 84 ILE HB . . 5.170 4.900 4.800 5.065 . 0 0 "[ . 1 . 2]" 1
1259 1 82 SER H 1 84 ILE MD . . 5.340 5.106 4.952 5.217 . 0 0 "[ . 1 . 2]" 1
1260 1 82 SER H 1 85 LYS HB3 . . 5.280 5.199 5.159 5.227 . 0 0 "[ . 1 . 2]" 1
1261 1 82 SER H 1 85 LYS HD2 . . 3.960 3.791 3.688 3.863 . 0 0 "[ . 1 . 2]" 1
1262 1 82 SER H 1 85 LYS QE . . 5.050 5.003 4.947 5.090 0.040 4 0 "[ . 1 . 2]" 1
1263 1 82 SER HA 1 85 LYS HB3 . . 5.030 4.208 4.118 4.387 . 0 0 "[ . 1 . 2]" 1
1264 1 82 SER HA 1 85 LYS HD2 . . 4.030 2.113 1.966 2.410 . 0 0 "[ . 1 . 2]" 1
1265 1 82 SER HA 1 85 LYS HE2 . . 4.780 4.639 4.427 4.881 0.101 8 0 "[ . 1 . 2]" 1
1266 1 82 SER HA 1 85 LYS QE . . 4.170 3.921 3.791 4.201 0.031 9 0 "[ . 1 . 2]" 1
1267 1 82 SER HA 1 85 LYS HE3 . . 4.780 4.242 4.071 4.640 . 0 0 "[ . 1 . 2]" 1
1268 1 82 SER HA 1 85 LYS HG2 . . 5.160 3.116 2.928 3.172 . 0 0 "[ . 1 . 2]" 1
1269 1 82 SER QB 1 83 TYR H . . 3.270 2.357 2.252 2.689 . 0 0 "[ . 1 . 2]" 1
1270 1 82 SER QB 1 84 ILE H . . 4.900 4.538 4.434 4.739 . 0 0 "[ . 1 . 2]" 1
1271 1 82 SER QB 1 85 LYS HD2 . . 4.730 4.140 4.019 4.204 . 0 0 "[ . 1 . 2]" 1
1272 1 82 SER QB 1 85 LYS HD3 . . 5.500 4.769 4.591 4.872 . 0 0 "[ . 1 . 2]" 1
1273 1 82 SER QB 1 85 LYS QE . . 5.340 5.355 5.296 5.412 0.072 8 0 "[ . 1 . 2]" 1
1274 1 83 TYR H 1 83 TYR HB2 . . 3.130 2.942 2.910 3.020 . 0 0 "[ . 1 . 2]" 1
1275 1 83 TYR H 1 83 TYR HB3 . . 2.920 2.246 2.229 2.275 . 0 0 "[ . 1 . 2]" 1
1276 1 83 TYR H 1 83 TYR QD . . 4.140 3.974 3.933 3.992 . 0 0 "[ . 1 . 2]" 1
1277 1 83 TYR H 1 84 ILE H . . 2.600 2.468 2.327 2.523 . 0 0 "[ . 1 . 2]" 1
1278 1 83 TYR H 1 84 ILE HA . . 5.310 5.103 4.993 5.146 . 0 0 "[ . 1 . 2]" 1
1279 1 83 TYR H 1 84 ILE MD . . 5.500 4.986 4.838 5.075 . 0 0 "[ . 1 . 2]" 1
1280 1 83 TYR HA 1 83 TYR QD . . 3.530 3.056 3.043 3.073 . 0 0 "[ . 1 . 2]" 1
1281 1 83 TYR HA 1 83 TYR QE . . 5.500 4.916 4.895 4.937 . 0 0 "[ . 1 . 2]" 1
1282 1 83 TYR HA 1 86 LEU H . . 4.260 3.279 3.097 3.429 . 0 0 "[ . 1 . 2]" 1
1283 1 83 TYR HA 1 86 LEU QB . . 3.010 2.232 1.975 2.387 . 0 0 "[ . 1 . 2]" 1
1284 1 83 TYR HA 1 86 LEU QD . . 3.220 2.849 2.464 3.058 . 0 0 "[ . 1 . 2]" 1
1285 1 83 TYR HB2 1 83 TYR QD . . 3.360 2.410 2.408 2.413 . 0 0 "[ . 1 . 2]" 1
1286 1 83 TYR HB2 1 83 TYR QE . . 4.870 4.432 4.431 4.434 . 0 0 "[ . 1 . 2]" 1
1287 1 83 TYR HB2 1 84 ILE H . . 4.080 4.043 3.986 4.105 0.025 8 0 "[ . 1 . 2]" 1
1288 1 83 TYR HB2 1 86 LEU QD . . 5.000 3.970 3.527 4.509 . 0 0 "[ . 1 . 2]" 1
1289 1 83 TYR HB3 1 83 TYR QD . . 3.440 2.398 2.394 2.400 . 0 0 "[ . 1 . 2]" 1
1290 1 83 TYR HB3 1 83 TYR QE . . 4.900 4.418 4.416 4.419 . 0 0 "[ . 1 . 2]" 1
1291 1 83 TYR HB3 1 84 ILE H . . 3.540 2.728 2.638 2.830 . 0 0 "[ . 1 . 2]" 1
1292 1 83 TYR HB3 1 84 ILE QG . . 5.500 3.538 3.447 3.587 . 0 0 "[ . 1 . 2]" 1
1293 1 83 TYR HB3 1 86 LEU QD . . 5.440 4.978 4.667 5.358 . 0 0 "[ . 1 . 2]" 1
1294 1 83 TYR QD 1 84 ILE H . . 3.690 2.821 2.746 2.953 . 0 0 "[ . 1 . 2]" 1
1295 1 83 TYR QD 1 84 ILE MD . . 5.210 3.977 3.846 4.039 . 0 0 "[ . 1 . 2]" 1
1296 1 83 TYR QD 1 84 ILE QG . . 3.450 2.390 2.282 2.451 . 0 0 "[ . 1 . 2]" 1
1297 1 83 TYR QE 1 84 ILE MD . . 5.230 4.945 4.830 4.993 . 0 0 "[ . 1 . 2]" 1
1298 1 83 TYR QE 1 84 ILE QG . . 3.800 3.542 3.472 3.578 . 0 0 "[ . 1 . 2]" 1
1299 1 83 TYR QE 1 86 LEU QB . . 5.420 4.410 4.297 4.662 . 0 0 "[ . 1 . 2]" 1
1300 1 84 ILE H 1 84 ILE HB . . 3.060 2.487 2.423 2.512 . 0 0 "[ . 1 . 2]" 1
1301 1 84 ILE H 1 84 ILE MD . . 3.670 3.518 3.438 3.570 . 0 0 "[ . 1 . 2]" 1
1302 1 84 ILE H 1 84 ILE QG . . 3.070 2.161 2.108 2.310 . 0 0 "[ . 1 . 2]" 1
1303 1 84 ILE H 1 84 ILE MG . . 4.110 3.756 3.743 3.760 . 0 0 "[ . 1 . 2]" 1
1304 1 84 ILE H 1 85 LYS H . . 2.870 2.665 2.576 2.716 . 0 0 "[ . 1 . 2]" 1
1305 1 84 ILE H 1 85 LYS HG2 . . 5.500 4.992 4.906 5.041 . 0 0 "[ . 1 . 2]" 1
1306 1 84 ILE H 1 86 LEU H . . 4.150 3.961 3.850 4.039 . 0 0 "[ . 1 . 2]" 1
1307 1 84 ILE H 1 89 TYR HD1 . . 5.500 5.532 5.433 5.611 0.111 20 0 "[ . 1 . 2]" 1
1308 1 84 ILE HA 1 84 ILE MD . . 4.020 3.829 3.819 3.844 . 0 0 "[ . 1 . 2]" 1
1309 1 84 ILE HA 1 84 ILE QG . . 3.740 2.372 2.364 2.393 . 0 0 "[ . 1 . 2]" 1
1310 1 84 ILE HA 1 84 ILE MG . . 3.480 2.394 2.361 2.456 . 0 0 "[ . 1 . 2]" 1
1311 1 84 ILE HA 1 89 TYR HA . . 5.490 4.548 4.281 4.661 . 0 0 "[ . 1 . 2]" 1
1312 1 84 ILE HA 1 91 ALA H . . 5.490 5.359 4.981 5.511 0.021 20 0 "[ . 1 . 2]" 1
1313 1 84 ILE HB 1 84 ILE MD . . 3.550 2.341 2.223 2.431 . 0 0 "[ . 1 . 2]" 1
1314 1 84 ILE HB 1 85 LYS H . . 3.520 2.987 2.855 3.031 . 0 0 "[ . 1 . 2]" 1
1315 1 84 ILE HB 1 85 LYS QE . . 5.340 5.389 5.344 5.408 0.068 19 0 "[ . 1 . 2]" 1
1316 1 84 ILE HB 1 86 LEU H . . 5.290 4.901 4.821 4.927 . 0 0 "[ . 1 . 2]" 1
1317 1 84 ILE MD 1 84 ILE MG . . 2.950 2.009 1.904 2.209 . 0 0 "[ . 1 . 2]" 1
1318 1 84 ILE MD 1 89 TYR HE1 . . 5.190 4.748 4.676 5.006 . 0 0 "[ . 1 . 2]" 1
1319 1 84 ILE MG 1 85 LYS H . . 3.630 3.623 3.553 3.665 0.035 2 0 "[ . 1 . 2]" 1
1320 1 84 ILE MG 1 85 LYS HA . . 4.540 3.570 3.471 3.657 . 0 0 "[ . 1 . 2]" 1
1321 1 84 ILE MG 1 85 LYS HB3 . . 4.410 4.039 3.889 4.111 . 0 0 "[ . 1 . 2]" 1
1322 1 84 ILE MG 1 85 LYS QE . . 5.340 5.298 5.152 5.366 0.026 7 0 "[ . 1 . 2]" 1
1323 1 84 ILE MG 1 89 TYR H . . 4.360 3.990 3.853 4.131 . 0 0 "[ . 1 . 2]" 1
1324 1 84 ILE MG 1 89 TYR HD1 . . 3.340 1.956 1.937 2.025 . 0 0 "[ . 1 . 2]" 1
1325 1 84 ILE MG 1 89 TYR HE1 . . 3.690 2.861 2.752 3.155 . 0 0 "[ . 1 . 2]" 1
1326 1 84 ILE MG 1 90 THR H . . 5.150 4.769 4.508 5.089 . 0 0 "[ . 1 . 2]" 1
1327 1 84 ILE MG 1 91 ALA H . . 4.690 4.125 3.820 4.510 . 0 0 "[ . 1 . 2]" 1
1328 1 85 LYS H 1 85 LYS HB3 . . 2.930 2.482 2.429 2.524 . 0 0 "[ . 1 . 2]" 1
1329 1 85 LYS H 1 85 LYS HD2 . . 3.710 3.473 3.392 3.588 . 0 0 "[ . 1 . 2]" 1
1330 1 85 LYS H 1 85 LYS HG2 . . 3.640 2.695 2.662 2.752 . 0 0 "[ . 1 . 2]" 1
1331 1 85 LYS H 1 86 LEU H . . 3.340 2.338 2.238 2.438 . 0 0 "[ . 1 . 2]" 1
1332 1 85 LYS H 1 88 ASN H . . 5.390 5.331 5.232 5.397 0.007 3 0 "[ . 1 . 2]" 1
1333 1 85 LYS H 1 89 TYR H . . 5.090 4.705 4.585 4.771 . 0 0 "[ . 1 . 2]" 1
1334 1 85 LYS HA 1 85 LYS HD2 . . 4.940 4.835 4.808 4.882 . 0 0 "[ . 1 . 2]" 1
1335 1 85 LYS HA 1 88 ASN HA . . 5.290 3.429 3.330 3.506 . 0 0 "[ . 1 . 2]" 1
1336 1 85 LYS HA 1 89 TYR H . . 3.550 2.046 1.947 2.113 . 0 0 "[ . 1 . 2]" 1
1337 1 85 LYS HA 1 89 TYR HA . . 3.760 3.353 3.221 3.445 . 0 0 "[ . 1 . 2]" 1
1338 1 85 LYS HA 1 89 TYR HD1 . . 4.290 2.417 2.345 2.500 . 0 0 "[ . 1 . 2]" 1
1339 1 85 LYS HA 1 89 TYR HE1 . . 4.000 3.006 2.913 3.106 . 0 0 "[ . 1 . 2]" 1
1340 1 85 LYS HA 1 90 THR H . . 5.090 4.559 4.433 4.657 . 0 0 "[ . 1 . 2]" 1
1341 1 85 LYS HB2 1 85 LYS QE . . 3.670 2.416 2.166 2.529 . 0 0 "[ . 1 . 2]" 1
1342 1 85 LYS HB2 1 85 LYS HG3 . . 2.710 2.278 2.270 2.290 . 0 0 "[ . 1 . 2]" 1
1343 1 85 LYS HB2 1 86 LEU HA . . 5.500 5.327 5.253 5.412 . 0 0 "[ . 1 . 2]" 1
1344 1 85 LYS HB2 1 89 TYR H . . 4.320 3.919 3.734 4.101 . 0 0 "[ . 1 . 2]" 1
1345 1 85 LYS HB2 1 89 TYR HD1 . . 4.900 3.837 3.710 3.979 . 0 0 "[ . 1 . 2]" 1
1346 1 85 LYS HB3 1 85 LYS HD2 . . 2.600 2.476 2.458 2.509 . 0 0 "[ . 1 . 2]" 1
1347 1 85 LYS HB3 1 85 LYS QE . . 3.910 2.188 2.123 2.322 . 0 0 "[ . 1 . 2]" 1
1348 1 85 LYS HB3 1 86 LEU H . . 4.340 4.163 4.004 4.242 . 0 0 "[ . 1 . 2]" 1
1349 1 85 LYS HB3 1 86 LEU HA . . 5.500 5.609 5.556 5.641 0.141 10 0 "[ . 1 . 2]" 1
1350 1 85 LYS HB3 1 89 TYR HD1 . . 5.230 3.665 3.597 3.738 . 0 0 "[ . 1 . 2]" 1
1351 1 85 LYS HB3 1 89 TYR HE1 . . 3.840 1.997 1.970 2.092 . 0 0 "[ . 1 . 2]" 1
1352 1 85 LYS HD2 1 85 LYS QE . . 2.630 2.179 2.173 2.181 . 0 0 "[ . 1 . 2]" 1
1353 1 85 LYS QE 1 85 LYS HG3 . . 3.670 2.908 2.449 3.127 . 0 0 "[ . 1 . 2]" 1
1354 1 85 LYS HE2 1 89 TYR HE1 . . 5.500 3.338 2.921 4.040 . 0 0 "[ . 1 . 2]" 1
1355 1 85 LYS HE3 1 89 TYR HE1 . . 5.500 4.413 3.404 4.903 . 0 0 "[ . 1 . 2]" 1
1356 1 85 LYS HG2 1 86 LEU H . . 4.430 3.096 2.739 3.246 . 0 0 "[ . 1 . 2]" 1
1357 1 85 LYS HG2 1 86 LEU HA . . 5.500 3.433 3.321 3.507 . 0 0 "[ . 1 . 2]" 1
1358 1 85 LYS HG2 1 89 TYR HE1 . . 5.500 4.598 4.572 4.713 . 0 0 "[ . 1 . 2]" 1
1359 1 85 LYS HG3 1 89 TYR HE1 . . 5.500 4.771 4.656 4.854 . 0 0 "[ . 1 . 2]" 1
1360 1 86 LEU H 1 86 LEU QB . . 3.050 2.194 2.089 2.235 . 0 0 "[ . 1 . 2]" 1
1361 1 86 LEU H 1 87 ASP H . . 4.510 2.687 2.625 2.786 . 0 0 "[ . 1 . 2]" 1
1362 1 86 LEU HA 1 86 LEU MD1 . . 4.000 3.073 2.617 3.595 . 0 0 "[ . 1 . 2]" 1
1363 1 86 LEU HA 1 86 LEU QD . . 3.380 2.742 1.964 3.075 . 0 0 "[ . 1 . 2]" 1
1364 1 86 LEU HA 1 86 LEU MD2 . . 4.000 3.359 2.021 3.944 . 0 0 "[ . 1 . 2]" 1
1365 1 86 LEU HA 1 88 ASN H . . 4.130 4.080 3.973 4.144 0.014 10 0 "[ . 1 . 2]" 1
1366 1 86 LEU QB 1 86 LEU QD . . 2.530 1.819 1.744 1.980 . 0 0 "[ . 1 . 2]" 1
1367 1 86 LEU QB 1 87 ASP H . . 3.590 2.954 2.779 3.074 . 0 0 "[ . 1 . 2]" 1
1368 1 86 LEU QB 1 87 ASP QB . . 4.900 4.228 4.010 4.379 . 0 0 "[ . 1 . 2]" 1
1369 1 86 LEU QD 1 87 ASP QB . . 4.280 4.057 3.594 4.285 0.005 7 0 "[ . 1 . 2]" 1
1370 1 87 ASP H 1 87 ASP HB2 . . 4.020 2.811 2.618 2.920 . 0 0 "[ . 1 . 2]" 1
1371 1 87 ASP H 1 87 ASP HB3 . . 4.020 3.838 3.762 3.888 . 0 0 "[ . 1 . 2]" 1
1372 1 87 ASP H 1 88 ASN H . . 3.640 2.357 2.254 2.482 . 0 0 "[ . 1 . 2]" 1
1373 1 87 ASP HA 1 87 ASP QB . . 2.520 2.305 2.259 2.365 . 0 0 "[ . 1 . 2]" 1
1374 1 87 ASP HA 1 88 ASN H . . 3.240 2.968 2.946 3.004 . 0 0 "[ . 1 . 2]" 1
1375 1 87 ASP HA 1 89 TYR H . . 5.120 4.833 4.806 4.899 . 0 0 "[ . 1 . 2]" 1
1376 1 87 ASP QB 1 89 TYR H . . 4.030 3.919 3.843 3.980 . 0 0 "[ . 1 . 2]" 1
1377 1 87 ASP QB 1 90 THR HA . . 5.340 4.034 3.981 4.104 . 0 0 "[ . 1 . 2]" 1
1378 1 87 ASP QB 1 90 THR HB . . 3.380 2.196 1.934 2.341 . 0 0 "[ . 1 . 2]" 1
1379 1 87 ASP HB2 1 90 THR H . . 4.020 2.554 2.474 2.675 . 0 0 "[ . 1 . 2]" 1
1380 1 87 ASP HB2 1 90 THR HB . . 3.890 2.236 1.986 2.400 . 0 0 "[ . 1 . 2]" 1
1381 1 87 ASP HB2 1 90 THR MG . . 3.990 3.654 3.557 3.778 . 0 0 "[ . 1 . 2]" 1
1382 1 87 ASP HB3 1 90 THR H . . 4.020 3.859 3.624 3.993 . 0 0 "[ . 1 . 2]" 1
1383 1 87 ASP HB3 1 90 THR HB . . 3.890 3.213 2.665 3.388 . 0 0 "[ . 1 . 2]" 1
1384 1 87 ASP HB3 1 90 THR MG . . 3.990 3.672 3.401 3.781 . 0 0 "[ . 1 . 2]" 1
1385 1 88 ASN H 1 88 ASN HB2 . . 3.570 3.097 3.087 3.107 . 0 0 "[ . 1 . 2]" 1
1386 1 88 ASN H 1 88 ASN HB3 . . 3.950 3.888 3.846 3.914 . 0 0 "[ . 1 . 2]" 1
1387 1 88 ASN H 1 89 TYR H . . 3.530 2.631 2.605 2.659 . 0 0 "[ . 1 . 2]" 1
1388 1 88 ASN H 1 89 TYR HD1 . . 5.140 5.040 5.005 5.154 0.014 20 0 "[ . 1 . 2]" 1
1389 1 88 ASN HA 1 88 ASN HD22 . . 4.460 3.519 3.410 3.701 . 0 0 "[ . 1 . 2]" 1
1390 1 88 ASN HA 1 89 TYR H . . 3.310 2.787 2.751 2.804 . 0 0 "[ . 1 . 2]" 1
1391 1 88 ASN HA 1 89 TYR HD1 . . 4.770 4.723 4.595 4.777 0.007 20 0 "[ . 1 . 2]" 1
1392 1 88 ASN HA 1 89 TYR HE1 . . 5.500 5.503 5.254 5.554 0.054 16 0 "[ . 1 . 2]" 1
1393 1 88 ASN HA 1 90 THR H . . 4.670 4.675 4.521 4.707 0.037 7 0 "[ . 1 . 2]" 1
1394 1 88 ASN HB3 1 88 ASN HD22 . . 3.850 3.664 3.602 3.699 . 0 0 "[ . 1 . 2]" 1
1395 1 88 ASN HB3 1 89 TYR H . . 4.340 4.218 4.205 4.240 . 0 0 "[ . 1 . 2]" 1
1396 1 88 ASN HB3 1 90 THR H . . 4.440 4.313 4.161 4.412 . 0 0 "[ . 1 . 2]" 1
1397 1 88 ASN HD21 1 89 TYR H . . 4.410 4.237 4.133 4.408 . 0 0 "[ . 1 . 2]" 1
1398 1 88 ASN HD21 1 89 TYR QB . . 4.810 3.328 3.181 3.427 . 0 0 "[ . 1 . 2]" 1
1399 1 88 ASN HD21 1 92 LEU MD2 . . 4.360 3.977 3.826 4.134 . 0 0 "[ . 1 . 2]" 1
1400 1 88 ASN HD22 1 92 LEU MD2 . . 5.450 5.069 4.901 5.259 . 0 0 "[ . 1 . 2]" 1
1401 1 89 TYR H 1 89 TYR HD1 . . 3.610 2.723 2.664 2.821 . 0 0 "[ . 1 . 2]" 1
1402 1 89 TYR H 1 89 TYR HE1 . . 4.530 4.461 4.427 4.517 . 0 0 "[ . 1 . 2]" 1
1403 1 89 TYR H 1 90 THR H . . 3.300 2.683 2.639 2.708 . 0 0 "[ . 1 . 2]" 1
1404 1 89 TYR H 1 90 THR HA . . 5.310 5.086 5.071 5.108 . 0 0 "[ . 1 . 2]" 1
1405 1 89 TYR H 1 90 THR HB . . 5.120 4.965 4.793 5.016 . 0 0 "[ . 1 . 2]" 1
1406 1 89 TYR HA 1 89 TYR HD1 . . 4.010 2.012 1.982 2.087 . 0 0 "[ . 1 . 2]" 1
1407 1 89 TYR HA 1 91 ALA H . . 5.160 3.257 3.201 3.313 . 0 0 "[ . 1 . 2]" 1
1408 1 89 TYR QB 1 92 LEU H . . 5.270 3.257 3.194 3.367 . 0 0 "[ . 1 . 2]" 1
1409 1 89 TYR QB 1 92 LEU QB . . 4.240 2.714 2.622 2.797 . 0 0 "[ . 1 . 2]" 1
1410 1 89 TYR QB 1 93 VAL H . . 5.330 4.650 4.611 4.728 . 0 0 "[ . 1 . 2]" 1
1411 1 89 TYR HB2 1 92 LEU MD2 . . 3.950 1.864 1.854 1.901 . 0 0 "[ . 1 . 2]" 1
1412 1 89 TYR HB3 1 92 LEU MD2 . . 3.950 1.972 1.931 2.025 . 0 0 "[ . 1 . 2]" 1
1413 1 90 THR H 1 90 THR HB . . 3.070 2.455 2.363 2.491 . 0 0 "[ . 1 . 2]" 1
1414 1 90 THR H 1 90 THR MG . . 3.870 3.754 3.726 3.762 . 0 0 "[ . 1 . 2]" 1
1415 1 90 THR H 1 91 ALA H . . 3.700 2.775 2.717 2.787 . 0 0 "[ . 1 . 2]" 1
1416 1 90 THR H 1 92 LEU H . . 4.390 4.411 4.393 4.431 0.041 1 0 "[ . 1 . 2]" 1
1417 1 90 THR H 1 92 LEU MD2 . . 5.440 4.643 4.549 4.716 . 0 0 "[ . 1 . 2]" 1
1418 1 90 THR H 1 93 VAL H . . 5.280 5.161 5.141 5.189 . 0 0 "[ . 1 . 2]" 1
1419 1 90 THR H 1 93 VAL HB . . 5.500 5.636 5.597 5.689 0.189 20 0 "[ . 1 . 2]" 1
1420 1 90 THR HA 1 90 THR MG . . 3.310 2.450 2.408 2.529 . 0 0 "[ . 1 . 2]" 1
1421 1 90 THR HA 1 92 LEU H . . 4.070 3.970 3.931 4.026 . 0 0 "[ . 1 . 2]" 1
1422 1 90 THR HA 1 92 LEU HG . . 3.950 3.797 3.721 3.872 . 0 0 "[ . 1 . 2]" 1
1423 1 90 THR HA 1 93 VAL H . . 3.760 3.195 3.164 3.248 . 0 0 "[ . 1 . 2]" 1
1424 1 90 THR HA 1 93 VAL HB . . 3.360 2.984 2.927 3.046 . 0 0 "[ . 1 . 2]" 1
1425 1 90 THR HA 1 93 VAL MG1 . . 4.480 4.312 4.256 4.379 . 0 0 "[ . 1 . 2]" 1
1426 1 90 THR HA 1 93 VAL MG2 . . 4.300 2.489 2.425 2.613 . 0 0 "[ . 1 . 2]" 1
1427 1 90 THR HA 1 94 ASP H . . 4.800 4.592 4.533 4.638 . 0 0 "[ . 1 . 2]" 1
1428 1 90 THR HB 1 91 ALA H . . 3.470 2.890 2.842 2.944 . 0 0 "[ . 1 . 2]" 1
1429 1 90 THR MG 1 91 ALA H . . 3.530 3.440 3.270 3.514 . 0 0 "[ . 1 . 2]" 1
1430 1 90 THR MG 1 93 VAL HB . . 4.030 2.685 2.586 2.780 . 0 0 "[ . 1 . 2]" 1
1431 1 90 THR MG 1 94 ASP H . . 3.970 3.529 3.449 3.623 . 0 0 "[ . 1 . 2]" 1
1432 1 90 THR MG 1 94 ASP HA . . 5.500 5.229 5.130 5.348 . 0 0 "[ . 1 . 2]" 1
1433 1 90 THR MG 1 94 ASP HB2 . . 4.330 3.517 3.408 3.623 . 0 0 "[ . 1 . 2]" 1
1434 1 91 ALA H 1 91 ALA MB . . 3.200 2.189 2.028 2.236 . 0 0 "[ . 1 . 2]" 1
1435 1 91 ALA H 1 92 LEU H . . 3.520 2.774 2.736 2.801 . 0 0 "[ . 1 . 2]" 1
1436 1 91 ALA H 1 93 VAL H . . 4.590 4.205 4.174 4.244 . 0 0 "[ . 1 . 2]" 1
1437 1 91 ALA HA 1 94 ASP H . . 3.800 3.626 3.566 3.717 . 0 0 "[ . 1 . 2]" 1
1438 1 91 ALA HA 1 94 ASP HB2 . . 4.190 4.103 3.965 4.181 . 0 0 "[ . 1 . 2]" 1
1439 1 91 ALA HA 1 94 ASP HB3 . . 3.800 3.566 3.402 3.784 . 0 0 "[ . 1 . 2]" 1
1440 1 91 ALA MB 1 95 ALA H . . 4.780 4.489 4.423 4.554 . 0 0 "[ . 1 . 2]" 1
1441 1 92 LEU H 1 92 LEU HB2 . . 3.670 3.559 3.548 3.571 . 0 0 "[ . 1 . 2]" 1
1442 1 92 LEU H 1 92 LEU QB . . 3.000 2.268 2.243 2.297 . 0 0 "[ . 1 . 2]" 1
1443 1 92 LEU H 1 92 LEU HB3 . . 3.670 2.294 2.268 2.325 . 0 0 "[ . 1 . 2]" 1
1444 1 92 LEU H 1 92 LEU MD2 . . 3.460 3.256 3.231 3.286 . 0 0 "[ . 1 . 2]" 1
1445 1 92 LEU H 1 92 LEU HG . . 2.840 2.735 2.674 2.785 . 0 0 "[ . 1 . 2]" 1
1446 1 92 LEU H 1 93 VAL H . . 2.990 2.577 2.551 2.597 . 0 0 "[ . 1 . 2]" 1
1447 1 92 LEU H 1 94 ASP H . . 4.410 4.397 4.375 4.421 0.011 6 0 "[ . 1 . 2]" 1
1448 1 92 LEU H 1 95 ALA H . . 4.640 4.577 4.564 4.602 . 0 0 "[ . 1 . 2]" 1
1449 1 92 LEU HA 1 92 LEU MD1 . . 3.540 3.478 3.390 3.503 . 0 0 "[ . 1 . 2]" 1
1450 1 92 LEU HA 1 95 ALA H . . 3.440 3.390 3.344 3.423 . 0 0 "[ . 1 . 2]" 1
1451 1 92 LEU HA 1 95 ALA MB . . 3.270 2.140 2.029 2.254 . 0 0 "[ . 1 . 2]" 1
1452 1 92 LEU HA 1 96 ILE H . . 4.270 3.281 3.198 3.401 . 0 0 "[ . 1 . 2]" 1
1453 1 92 LEU QB 1 92 LEU MD1 . . 3.120 1.996 1.975 2.087 . 0 0 "[ . 1 . 2]" 1
1454 1 92 LEU QB 1 92 LEU MD2 . . 3.220 1.924 1.920 1.932 . 0 0 "[ . 1 . 2]" 1
1455 1 92 LEU QB 1 93 VAL H . . 3.600 3.457 3.446 3.467 . 0 0 "[ . 1 . 2]" 1
1456 1 92 LEU QB 1 95 ALA H . . 5.270 4.878 4.834 4.906 . 0 0 "[ . 1 . 2]" 1
1457 1 92 LEU HB2 1 93 VAL H . . 4.170 4.043 4.013 4.064 . 0 0 "[ . 1 . 2]" 1
1458 1 92 LEU HB3 1 93 VAL H . . 4.170 3.755 3.743 3.765 . 0 0 "[ . 1 . 2]" 1
1459 1 92 LEU MD1 1 93 VAL H . . 2.990 2.982 2.906 3.026 0.036 8 0 "[ . 1 . 2]" 1
1460 1 92 LEU MD1 1 93 VAL HA . . 3.240 2.376 2.316 2.606 . 0 0 "[ . 1 . 2]" 1
1461 1 92 LEU HG 1 93 VAL H . . 3.400 2.046 2.007 2.073 . 0 0 "[ . 1 . 2]" 1
1462 1 92 LEU HG 1 93 VAL HA . . 5.130 3.546 3.518 3.575 . 0 0 "[ . 1 . 2]" 1
1463 1 92 LEU HG 1 93 VAL HB . . 3.940 3.973 3.935 3.997 0.057 7 0 "[ . 1 . 2]" 1
1464 1 92 LEU HG 1 93 VAL MG2 . . 5.500 2.527 2.428 2.627 . 0 0 "[ . 1 . 2]" 1
1465 1 93 VAL H 1 93 VAL HB . . 2.820 2.385 2.373 2.396 . 0 0 "[ . 1 . 2]" 1
1466 1 93 VAL H 1 93 VAL MG1 . . 3.890 3.731 3.726 3.736 . 0 0 "[ . 1 . 2]" 1
1467 1 93 VAL H 1 94 ASP H . . 3.130 2.740 2.704 2.802 . 0 0 "[ . 1 . 2]" 1
1468 1 93 VAL H 1 94 ASP HB2 . . 5.270 4.973 4.883 5.041 . 0 0 "[ . 1 . 2]" 1
1469 1 93 VAL H 1 94 ASP HB3 . . 5.500 5.237 5.123 5.377 . 0 0 "[ . 1 . 2]" 1
1470 1 93 VAL H 1 95 ALA H . . 4.090 3.812 3.797 3.837 . 0 0 "[ . 1 . 2]" 1
1471 1 93 VAL H 1 96 ILE H . . 4.980 4.694 4.651 4.740 . 0 0 "[ . 1 . 2]" 1
1472 1 93 VAL HA 1 93 VAL MG1 . . 3.320 2.459 2.438 2.491 . 0 0 "[ . 1 . 2]" 1
1473 1 93 VAL HA 1 93 VAL MG2 . . 3.470 2.215 2.182 2.260 . 0 0 "[ . 1 . 2]" 1
1474 1 93 VAL HA 1 95 ALA H . . 5.320 4.376 4.357 4.413 . 0 0 "[ . 1 . 2]" 1
1475 1 93 VAL HA 1 96 ILE H . . 4.190 4.069 4.039 4.101 . 0 0 "[ . 1 . 2]" 1
1476 1 93 VAL HA 1 96 ILE HB . . 3.800 3.474 3.416 3.563 . 0 0 "[ . 1 . 2]" 1
1477 1 93 VAL HA 1 96 ILE MG . . 4.900 4.733 4.670 4.832 . 0 0 "[ . 1 . 2]" 1
1478 1 93 VAL HA 1 97 TYR H . . 5.500 4.042 3.981 4.101 . 0 0 "[ . 1 . 2]" 1
1479 1 93 VAL HB 1 94 ASP H . . 3.130 2.493 2.472 2.509 . 0 0 "[ . 1 . 2]" 1
1480 1 93 VAL HB 1 95 ALA H . . 4.990 4.709 4.681 4.725 . 0 0 "[ . 1 . 2]" 1
1481 1 93 VAL MG1 1 94 ASP H . . 3.670 3.015 2.930 3.066 . 0 0 "[ . 1 . 2]" 1
1482 1 93 VAL MG1 1 94 ASP HA . . 4.440 3.189 3.111 3.231 . 0 0 "[ . 1 . 2]" 1
1483 1 93 VAL MG1 1 94 ASP HB3 . . 5.270 4.803 4.731 4.881 . 0 0 "[ . 1 . 2]" 1
1484 1 93 VAL MG1 1 97 TYR HD1 . . 3.770 3.558 3.385 3.654 . 0 0 "[ . 1 . 2]" 1
1485 1 93 VAL MG1 1 97 TYR HE1 . . 3.690 3.410 3.275 3.635 . 0 0 "[ . 1 . 2]" 1
1486 1 93 VAL MG2 1 96 ILE H . . 5.500 5.488 5.471 5.522 0.022 17 0 "[ . 1 . 2]" 1
1487 1 94 ASP H 1 94 ASP HB2 . . 3.190 2.369 2.300 2.438 . 0 0 "[ . 1 . 2]" 1
1488 1 94 ASP H 1 94 ASP HB3 . . 3.030 2.750 2.671 2.834 . 0 0 "[ . 1 . 2]" 1
1489 1 94 ASP H 1 95 ALA H . . 3.190 2.461 2.456 2.466 . 0 0 "[ . 1 . 2]" 1
1490 1 94 ASP H 1 95 ALA HA . . 5.380 5.096 5.087 5.100 . 0 0 "[ . 1 . 2]" 1
1491 1 94 ASP H 1 95 ALA MB . . 4.190 4.128 4.103 4.170 . 0 0 "[ . 1 . 2]" 1
1492 1 94 ASP H 1 96 ILE H . . 4.640 4.478 4.461 4.505 . 0 0 "[ . 1 . 2]" 1
1493 1 94 ASP H 1 97 TYR H . . 4.990 4.776 4.724 4.882 . 0 0 "[ . 1 . 2]" 1
1494 1 94 ASP HA 1 96 ILE H . . 5.500 4.931 4.890 4.976 . 0 0 "[ . 1 . 2]" 1
1495 1 94 ASP HA 1 97 TYR HB2 . . 4.290 2.543 2.401 2.721 . 0 0 "[ . 1 . 2]" 1
1496 1 94 ASP HA 1 97 TYR HB3 . . 4.070 3.886 3.735 4.056 . 0 0 "[ . 1 . 2]" 1
1497 1 94 ASP HA 1 97 TYR HD1 . . 5.450 4.791 4.625 4.871 . 0 0 "[ . 1 . 2]" 1
1498 1 94 ASP HA 1 97 TYR HD2 . . 5.500 4.773 4.416 5.472 . 0 0 "[ . 1 . 2]" 1
1499 1 94 ASP HB2 1 95 ALA H . . 3.910 3.834 3.755 3.901 . 0 0 "[ . 1 . 2]" 1
1500 1 94 ASP HB3 1 95 ALA H . . 3.330 2.901 2.884 2.928 . 0 0 "[ . 1 . 2]" 1
1501 1 94 ASP HB3 1 97 TYR HB2 . . 5.500 5.285 5.154 5.476 . 0 0 "[ . 1 . 2]" 1
1502 1 95 ALA H 1 95 ALA MB . . 2.710 2.174 2.123 2.250 . 0 0 "[ . 1 . 2]" 1
1503 1 95 ALA H 1 96 ILE H . . 3.090 2.727 2.703 2.762 . 0 0 "[ . 1 . 2]" 1
1504 1 95 ALA H 1 96 ILE HA . . 5.500 5.300 5.280 5.330 . 0 0 "[ . 1 . 2]" 1
1505 1 95 ALA H 1 96 ILE HB . . 4.880 4.808 4.768 4.865 . 0 0 "[ . 1 . 2]" 1
1506 1 95 ALA H 1 96 ILE QG . . 5.340 4.357 4.344 4.378 . 0 0 "[ . 1 . 2]" 1
1507 1 95 ALA H 1 97 TYR H . . 4.190 3.902 3.813 4.067 . 0 0 "[ . 1 . 2]" 1
1508 1 95 ALA H 1 98 SER H . . 4.840 4.726 4.561 4.819 . 0 0 "[ . 1 . 2]" 1
1509 1 95 ALA HA 1 97 TYR H . . 4.750 4.465 4.341 4.693 . 0 0 "[ . 1 . 2]" 1
1510 1 95 ALA HA 1 98 SER H . . 3.660 3.623 3.560 3.673 0.013 13 0 "[ . 1 . 2]" 1
1511 1 95 ALA HA 1 98 SER QB . . 3.100 2.928 2.615 3.105 0.005 2 0 "[ . 1 . 2]" 1
1512 1 95 ALA MB 1 96 ILE H . . 3.190 2.323 2.210 2.385 . 0 0 "[ . 1 . 2]" 1
1513 1 95 ALA MB 1 96 ILE HA . . 4.800 3.743 3.714 3.773 . 0 0 "[ . 1 . 2]" 1
1514 1 95 ALA MB 1 98 SER H . . 4.780 4.563 4.496 4.613 . 0 0 "[ . 1 . 2]" 1
1515 1 95 ALA MB 1 99 VAL H . . 5.010 4.611 4.456 4.728 . 0 0 "[ . 1 . 2]" 1
1516 1 96 ILE H 1 96 ILE HB . . 2.910 2.515 2.506 2.531 . 0 0 "[ . 1 . 2]" 1
1517 1 96 ILE H 1 96 ILE MG . . 3.830 3.760 3.759 3.762 . 0 0 "[ . 1 . 2]" 1
1518 1 96 ILE H 1 97 TYR HB2 . . 5.120 4.591 4.524 4.687 . 0 0 "[ . 1 . 2]" 1
1519 1 96 ILE H 1 97 TYR HD1 . . 4.600 4.495 4.201 4.611 0.011 20 0 "[ . 1 . 2]" 1
1520 1 96 ILE H 1 99 VAL QG . . 4.540 4.395 4.319 4.523 . 0 0 "[ . 1 . 2]" 1
1521 1 96 ILE HA 1 96 ILE MG . . 3.220 2.406 2.365 2.422 . 0 0 "[ . 1 . 2]" 1
1522 1 96 ILE HA 1 98 SER H . . 4.060 4.093 4.077 4.111 0.051 19 0 "[ . 1 . 2]" 1
1523 1 96 ILE HA 1 99 VAL H . . 4.160 3.526 3.482 3.603 . 0 0 "[ . 1 . 2]" 1
1524 1 96 ILE HA 1 99 VAL HB . . 4.390 2.967 2.877 3.159 . 0 0 "[ . 1 . 2]" 1
1525 1 96 ILE HA 1 99 VAL QG . . 3.080 3.022 2.955 3.111 0.031 8 0 "[ . 1 . 2]" 1
1526 1 96 ILE HA 1 100 GLU HA . . 5.500 5.555 5.541 5.586 0.086 12 0 "[ . 1 . 2]" 1
1527 1 96 ILE HB 1 97 TYR H . . 2.870 2.668 2.491 2.773 . 0 0 "[ . 1 . 2]" 1
1528 1 96 ILE HB 1 98 SER H . . 5.440 4.970 4.793 5.068 . 0 0 "[ . 1 . 2]" 1
1529 1 96 ILE HB 1 99 VAL QG . . 5.440 5.370 5.315 5.426 . 0 0 "[ . 1 . 2]" 1
1530 1 96 ILE MD 1 96 ILE MG . . 2.770 1.963 1.905 2.012 . 0 0 "[ . 1 . 2]" 1
1531 1 96 ILE MD 1 98 SER H . . 5.500 5.529 5.518 5.548 0.048 12 0 "[ . 1 . 2]" 1
1532 1 96 ILE MG 1 97 TYR H . . 3.510 3.415 3.280 3.509 . 0 0 "[ . 1 . 2]" 1
1533 1 96 ILE MG 1 97 TYR HA . . 4.430 3.388 3.294 3.504 . 0 0 "[ . 1 . 2]" 1
1534 1 96 ILE MG 1 97 TYR HB2 . . 5.500 4.961 4.802 5.055 . 0 0 "[ . 1 . 2]" 1
1535 1 96 ILE MG 1 97 TYR HD1 . . 4.360 3.189 2.999 3.340 . 0 0 "[ . 1 . 2]" 1
1536 1 96 ILE MG 1 97 TYR HE1 . . 5.000 4.289 3.806 4.531 . 0 0 "[ . 1 . 2]" 1
1537 1 96 ILE MG 1 98 SER H . . 4.830 4.769 4.706 4.810 . 0 0 "[ . 1 . 2]" 1
1538 1 96 ILE MG 1 99 VAL H . . 4.830 4.801 4.756 4.869 0.039 6 0 "[ . 1 . 2]" 1
1539 1 96 ILE MG 1 99 VAL HB . . 5.500 3.960 3.807 4.240 . 0 0 "[ . 1 . 2]" 1
1540 1 96 ILE MG 1 99 VAL QG . . 4.910 4.127 4.004 4.293 . 0 0 "[ . 1 . 2]" 1
1541 1 96 ILE MG 1 100 GLU H . . 4.250 3.385 3.287 3.579 . 0 0 "[ . 1 . 2]" 1
1542 1 96 ILE MG 1 100 GLU HG2 . . 5.490 3.466 2.834 3.646 . 0 0 "[ . 1 . 2]" 1
1543 1 96 ILE MG 1 100 GLU QG . . 4.720 3.331 2.769 3.492 . 0 0 "[ . 1 . 2]" 1
1544 1 96 ILE MG 1 100 GLU HG3 . . 5.490 4.323 3.896 4.476 . 0 0 "[ . 1 . 2]" 1
1545 1 96 ILE MG 1 101 ASP H . . 5.500 5.207 5.057 5.390 . 0 0 "[ . 1 . 2]" 1
1546 1 97 TYR H 1 97 TYR HB2 . . 2.970 2.180 2.147 2.253 . 0 0 "[ . 1 . 2]" 1
1547 1 97 TYR H 1 97 TYR HB3 . . 3.530 3.491 3.467 3.533 0.003 6 0 "[ . 1 . 2]" 1
1548 1 97 TYR H 1 97 TYR HD1 . . 3.420 2.439 2.109 2.598 . 0 0 "[ . 1 . 2]" 1
1549 1 97 TYR H 1 98 SER H . . 2.930 2.663 2.648 2.672 . 0 0 "[ . 1 . 2]" 1
1550 1 97 TYR H 1 99 VAL H . . 5.490 4.502 4.479 4.540 . 0 0 "[ . 1 . 2]" 1
1551 1 97 TYR HA 1 97 TYR HD1 . . 3.520 2.603 2.416 3.023 . 0 0 "[ . 1 . 2]" 1
1552 1 97 TYR HA 1 97 TYR HE1 . . 4.860 4.555 4.432 4.811 . 0 0 "[ . 1 . 2]" 1
1553 1 97 TYR HA 1 98 SER H . . 3.560 3.500 3.485 3.508 . 0 0 "[ . 1 . 2]" 1
1554 1 97 TYR HA 1 99 VAL H . . 4.990 4.981 4.925 5.009 0.019 12 0 "[ . 1 . 2]" 1
1555 1 97 TYR HA 1 100 GLU H . . 4.210 4.151 4.031 4.218 0.008 13 0 "[ . 1 . 2]" 1
1556 1 97 TYR HA 1 100 GLU HB3 . . 4.200 3.879 3.782 3.964 . 0 0 "[ . 1 . 2]" 1
1557 1 97 TYR HA 1 100 GLU QG . . 3.940 2.195 1.967 2.298 . 0 0 "[ . 1 . 2]" 1
1558 1 97 TYR HB2 1 98 SER H . . 3.400 2.989 2.966 3.060 . 0 0 "[ . 1 . 2]" 1
1559 1 97 TYR HB2 1 98 SER HA . . 5.100 4.790 4.670 4.850 . 0 0 "[ . 1 . 2]" 1
1560 1 97 TYR HB3 1 98 SER H . . 3.750 3.451 3.370 3.617 . 0 0 "[ . 1 . 2]" 1
1561 1 98 SER H 1 98 SER HA . . 2.910 2.868 2.866 2.870 . 0 0 "[ . 1 . 2]" 1
1562 1 98 SER H 1 98 SER QB . . 2.690 2.199 2.134 2.280 . 0 0 "[ . 1 . 2]" 1
1563 1 98 SER H 1 99 VAL H . . 2.970 2.630 2.623 2.633 . 0 0 "[ . 1 . 2]" 1
1564 1 98 SER H 1 99 VAL HB . . 5.280 4.875 4.849 4.932 . 0 0 "[ . 1 . 2]" 1
1565 1 98 SER H 1 99 VAL QG . . 4.120 3.957 3.899 4.007 . 0 0 "[ . 1 . 2]" 1
1566 1 98 SER H 1 101 ASP H . . 4.700 4.631 4.579 4.684 . 0 0 "[ . 1 . 2]" 1
1567 1 98 SER HA 1 101 ASP HB2 . . 4.240 3.376 2.758 4.033 . 0 0 "[ . 1 . 2]" 1
1568 1 98 SER HA 1 101 ASP QB . . 3.710 2.917 2.721 3.217 . 0 0 "[ . 1 . 2]" 1
1569 1 98 SER HA 1 101 ASP HB3 . . 4.240 3.434 2.836 4.224 . 0 0 "[ . 1 . 2]" 1
1570 1 98 SER QB 1 99 VAL H . . 3.070 2.416 2.277 2.555 . 0 0 "[ . 1 . 2]" 1
1571 1 99 VAL H 1 99 VAL HB . . 2.890 2.670 2.638 2.690 . 0 0 "[ . 1 . 2]" 1
1572 1 99 VAL H 1 99 VAL QG . . 2.890 2.108 2.060 2.156 . 0 0 "[ . 1 . 2]" 1
1573 1 99 VAL H 1 100 GLU H . . 3.000 2.818 2.753 2.852 . 0 0 "[ . 1 . 2]" 1
1574 1 99 VAL H 1 100 GLU QG . . 4.930 4.324 4.276 4.400 . 0 0 "[ . 1 . 2]" 1
1575 1 99 VAL H 1 101 ASP H . . 4.400 3.988 3.917 4.020 . 0 0 "[ . 1 . 2]" 1
1576 1 99 VAL HA 1 99 VAL MG1 . . 3.410 2.307 2.194 2.380 . 0 0 "[ . 1 . 2]" 1
1577 1 99 VAL HA 1 99 VAL MG2 . . 3.410 2.386 2.358 2.424 . 0 0 "[ . 1 . 2]" 1
1578 1 99 VAL HA 1 101 ASP H . . 4.110 4.002 3.770 4.038 . 0 0 "[ . 1 . 2]" 1
1579 1 99 VAL HA 1 103 ASN HD21 . . 5.500 5.403 4.995 5.512 0.012 12 0 "[ . 1 . 2]" 1
1580 1 99 VAL HA 1 103 ASN HD22 . . 5.340 5.032 4.656 5.336 . 0 0 "[ . 1 . 2]" 1
1581 1 99 VAL HB 1 100 GLU H . . 3.030 2.298 2.237 2.454 . 0 0 "[ . 1 . 2]" 1
1582 1 99 VAL HB 1 101 ASP H . . 5.500 4.673 4.623 4.714 . 0 0 "[ . 1 . 2]" 1
1583 1 99 VAL QG 1 100 GLU H . . 3.280 3.113 3.075 3.184 . 0 0 "[ . 1 . 2]" 1
1584 1 99 VAL QG 1 100 GLU HA . . 4.230 3.566 3.440 3.716 . 0 0 "[ . 1 . 2]" 1
1585 1 99 VAL QG 1 100 GLU HB2 . . 5.440 5.140 5.068 5.240 . 0 0 "[ . 1 . 2]" 1
1586 1 99 VAL QG 1 100 GLU HB3 . . 4.470 4.364 4.305 4.442 . 0 0 "[ . 1 . 2]" 1
1587 1 99 VAL QG 1 101 ASP H . . 4.520 4.339 4.230 4.372 . 0 0 "[ . 1 . 2]" 1
1588 1 99 VAL MG1 1 100 GLU H . . 3.790 3.406 3.326 3.511 . 0 0 "[ . 1 . 2]" 1
1589 1 99 VAL MG1 1 101 ASP H . . 5.500 4.726 4.594 4.790 . 0 0 "[ . 1 . 2]" 1
1590 1 99 VAL MG2 1 100 GLU H . . 3.790 3.602 3.572 3.658 . 0 0 "[ . 1 . 2]" 1
1591 1 99 VAL MG2 1 101 ASP H . . 5.500 5.054 4.949 5.082 . 0 0 "[ . 1 . 2]" 1
1592 1 100 GLU H 1 100 GLU HB3 . . 2.600 2.271 2.238 2.313 . 0 0 "[ . 1 . 2]" 1
1593 1 100 GLU H 1 100 GLU QG . . 3.030 2.624 2.505 2.700 . 0 0 "[ . 1 . 2]" 1
1594 1 100 GLU H 1 101 ASP H . . 3.080 2.769 2.652 2.780 . 0 0 "[ . 1 . 2]" 1
1595 1 100 GLU H 1 103 ASN HD22 . . 5.500 4.549 4.159 5.030 . 0 0 "[ . 1 . 2]" 1
1596 1 100 GLU HA 1 103 ASN HD21 . . 4.580 3.873 3.310 4.577 . 0 0 "[ . 1 . 2]" 1
1597 1 100 GLU HA 1 103 ASN HD22 . . 4.500 2.375 1.926 3.100 . 0 0 "[ . 1 . 2]" 1
1598 1 100 GLU HB3 1 101 ASP HA . . 5.500 5.585 5.549 5.646 0.146 12 0 "[ . 1 . 2]" 1
1599 1 100 GLU HB3 1 103 ASN HD22 . . 5.500 4.892 4.461 5.483 . 0 0 "[ . 1 . 2]" 1
1600 1 100 GLU QG 1 101 ASP H . . 3.500 2.246 2.052 2.593 . 0 0 "[ . 1 . 2]" 1
1601 1 101 ASP H 1 101 ASP HB2 . . 3.470 2.406 2.106 2.872 . 0 0 "[ . 1 . 2]" 1
1602 1 101 ASP H 1 101 ASP QB . . 2.950 2.232 2.087 2.338 . 0 0 "[ . 1 . 2]" 1
1603 1 101 ASP H 1 101 ASP HB3 . . 3.470 2.788 2.278 3.469 . 0 0 "[ . 1 . 2]" 1
1604 1 101 ASP H 1 102 GLU QG . . 5.340 4.550 3.286 5.159 . 0 0 "[ . 1 . 2]" 1
1605 1 101 ASP HA 1 103 ASN HD21 . . 5.130 4.342 3.156 5.133 0.003 8 0 "[ . 1 . 2]" 1
1606 1 101 ASP HA 1 103 ASN HD22 . . 5.500 4.660 3.596 5.486 . 0 0 "[ . 1 . 2]" 1
1607 1 101 ASP QB 1 102 GLU H . . 3.430 2.589 1.935 3.354 . 0 0 "[ . 1 . 2]" 1
1608 1 101 ASP QB 1 102 GLU QG . . 4.400 2.901 2.408 3.734 . 0 0 "[ . 1 . 2]" 1
1609 1 102 GLU H 1 102 GLU QG . . 2.970 2.402 1.912 3.017 0.047 4 0 "[ . 1 . 2]" 1
1610 1 102 GLU H 1 103 ASN HD22 . . 5.500 4.519 3.243 5.141 . 0 0 "[ . 1 . 2]" 1
1611 1 102 GLU HA 1 102 GLU QB . . 2.630 2.242 2.172 2.361 . 0 0 "[ . 1 . 2]" 1
1612 1 102 GLU HA 1 102 GLU QG . . 3.690 3.029 2.456 3.464 . 0 0 "[ . 1 . 2]" 1
1613 1 102 GLU HA 1 103 ASN H . . 3.250 2.227 2.139 2.487 . 0 0 "[ . 1 . 2]" 1
1614 1 102 GLU QB 1 103 ASN HA . . 5.340 4.368 4.225 4.659 . 0 0 "[ . 1 . 2]" 1
1615 1 102 GLU QB 1 103 ASN HD21 . . 4.780 4.461 4.088 4.755 . 0 0 "[ . 1 . 2]" 1
1616 1 102 GLU QB 1 104 LYS H . . 4.480 4.241 3.628 4.497 0.017 13 0 "[ . 1 . 2]" 1
1617 1 102 GLU QB 1 105 GLN HE21 . . 5.340 3.440 1.949 5.173 . 0 0 "[ . 1 . 2]" 1
1618 1 102 GLU HB2 1 103 ASN HD21 . . 5.500 4.839 4.333 5.202 . 0 0 "[ . 1 . 2]" 1
1619 1 102 GLU HB3 1 103 ASN HD21 . . 5.500 5.251 4.967 5.504 0.004 4 0 "[ . 1 . 2]" 1
1620 1 102 GLU QG 1 103 ASN H . . 4.690 4.444 4.178 4.699 0.009 13 0 "[ . 1 . 2]" 1
1621 1 103 ASN H 1 103 ASN HB2 . . 3.150 2.427 2.240 2.670 . 0 0 "[ . 1 . 2]" 1
1622 1 103 ASN H 1 103 ASN HB3 . . 3.990 3.639 3.530 3.789 . 0 0 "[ . 1 . 2]" 1
1623 1 103 ASN H 1 103 ASN HD21 . . 2.750 2.570 2.336 2.736 . 0 0 "[ . 1 . 2]" 1
1624 1 103 ASN H 1 103 ASN HD22 . . 4.370 4.241 3.986 4.375 0.005 16 0 "[ . 1 . 2]" 1
1625 1 103 ASN H 1 104 LYS H . . 3.120 2.015 1.820 2.261 . 0 0 "[ . 1 . 2]" 1
1626 1 103 ASN H 1 104 LYS QG . . 4.890 3.455 2.976 4.150 . 0 0 "[ . 1 . 2]" 1
1627 1 103 ASN HA 1 105 GLN H . . 5.130 4.242 3.432 5.043 . 0 0 "[ . 1 . 2]" 1
1628 1 103 ASN HB2 1 103 ASN HD21 . . 3.520 2.624 2.427 2.756 . 0 0 "[ . 1 . 2]" 1
1629 1 103 ASN HB2 1 103 ASN HD22 . . 3.920 3.652 3.567 3.710 . 0 0 "[ . 1 . 2]" 1
1630 1 103 ASN HB2 1 104 LYS H . . 3.100 2.924 2.473 3.203 0.103 12 0 "[ . 1 . 2]" 1
1631 1 103 ASN HB3 1 104 LYS H . . 4.100 3.638 3.193 4.031 . 0 0 "[ . 1 . 2]" 1
1632 1 103 ASN HD21 1 104 LYS H . . 4.410 4.263 4.005 4.414 0.004 14 0 "[ . 1 . 2]" 1
1633 1 104 LYS H 1 104 LYS HB2 . . 3.820 3.660 3.577 3.771 . 0 0 "[ . 1 . 2]" 1
1634 1 104 LYS H 1 104 LYS HB3 . . 3.080 2.775 2.419 3.264 0.184 9 0 "[ . 1 . 2]" 1
1635 1 104 LYS H 1 104 LYS QG . . 3.140 2.120 1.868 2.767 . 0 0 "[ . 1 . 2]" 1
1636 1 104 LYS H 1 105 GLN H . . 3.140 2.306 1.901 2.824 . 0 0 "[ . 1 . 2]" 1
1637 1 104 LYS H 1 105 GLN HE21 . . 3.590 3.517 3.113 3.617 0.027 10 0 "[ . 1 . 2]" 1
1638 1 104 LYS H 1 105 GLN HE22 . . 5.390 4.775 3.127 5.337 . 0 0 "[ . 1 . 2]" 1
1639 1 104 LYS H 1 105 GLN QG . . 4.750 3.898 3.034 4.702 . 0 0 "[ . 1 . 2]" 1
1640 1 104 LYS HA 1 104 LYS QG . . 3.710 3.375 3.304 3.423 . 0 0 "[ . 1 . 2]" 1
1641 1 104 LYS HB2 1 105 GLN H . . 4.170 3.972 3.468 4.182 0.012 7 0 "[ . 1 . 2]" 1
1642 1 104 LYS HB3 1 105 GLN H . . 4.370 4.099 3.930 4.437 0.067 9 0 "[ . 1 . 2]" 1
1643 1 104 LYS QD 1 105 GLN HA . . 5.340 4.141 2.446 5.373 0.033 13 0 "[ . 1 . 2]" 1
1644 1 104 LYS HD2 1 105 GLN H . . 5.500 4.070 2.715 5.448 . 0 0 "[ . 1 . 2]" 1
1645 1 104 LYS HD3 1 105 GLN H . . 5.500 4.401 3.246 5.485 . 0 0 "[ . 1 . 2]" 1
1646 1 104 LYS QE 1 104 LYS QG . . 3.200 2.218 1.947 2.777 . 0 0 "[ . 1 . 2]" 1
1647 1 104 LYS QE 1 105 GLN HE21 . . 4.820 3.529 2.373 4.780 . 0 0 "[ . 1 . 2]" 1
1648 1 104 LYS QE 1 105 GLN QG . . 5.120 4.069 2.092 5.191 0.071 10 0 "[ . 1 . 2]" 1
1649 1 104 LYS HE2 1 105 GLN HE21 . . 5.500 4.029 2.389 5.447 . 0 0 "[ . 1 . 2]" 1
1650 1 104 LYS HE3 1 105 GLN HE21 . . 5.500 4.339 2.473 5.512 0.012 5 0 "[ . 1 . 2]" 1
1651 1 104 LYS QG 1 105 GLN H . . 3.380 2.352 1.905 3.342 . 0 0 "[ . 1 . 2]" 1
1652 1 104 LYS QG 1 105 GLN HE21 . . 4.790 2.604 1.879 4.789 . 0 0 "[ . 1 . 2]" 1
1653 1 105 GLN H 1 105 GLN HA . . 2.930 2.762 2.274 2.946 0.016 16 0 "[ . 1 . 2]" 1
1654 1 105 GLN H 1 105 GLN QB . . 3.320 2.688 2.215 3.398 0.078 13 0 "[ . 1 . 2]" 1
1655 1 105 GLN H 1 105 GLN HE21 . . 3.030 2.639 1.897 3.050 0.020 10 0 "[ . 1 . 2]" 1
1656 1 105 GLN H 1 105 GLN HE22 . . 5.500 3.962 3.075 4.573 . 0 0 "[ . 1 . 2]" 1
1657 1 105 GLN H 1 105 GLN QG . . 3.730 2.356 1.917 3.079 . 0 0 "[ . 1 . 2]" 1
1658 1 105 GLN HA 1 105 GLN QG . . 3.570 2.899 2.257 3.439 . 0 0 "[ . 1 . 2]" 1
1659 1 105 GLN HA 1 106 SER H . . 3.250 2.602 2.140 3.377 0.127 12 0 "[ . 1 . 2]" 1
1660 1 105 GLN HE21 1 105 GLN QG . . 3.000 2.179 2.092 2.503 . 0 0 "[ . 1 . 2]" 1
1661 1 106 SER H 1 106 SER QB . . 3.610 2.813 2.165 3.381 . 0 0 "[ . 1 . 2]" 1
1662 1 106 SER H 1 107 GLU H . . 4.410 3.937 2.490 4.420 0.010 12 0 "[ . 1 . 2]" 1
1663 1 106 SER HA 1 106 SER QB . . 2.310 2.275 2.180 2.349 0.039 9 0 "[ . 1 . 2]" 1
1664 1 107 GLU H 1 107 GLU QB . . 2.690 2.492 2.246 2.823 0.133 4 0 "[ . 1 . 2]" 1
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