NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
420454 |
2ekj   |
10274 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ekj
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 1977
_Distance_constraint_stats_list.Viol_count 965
_Distance_constraint_stats_list.Viol_total 247.013
_Distance_constraint_stats_list.Viol_max 0.228
_Distance_constraint_stats_list.Viol_rms 0.0036
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0128
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ARG 0.235 0.090 17 0 "[ . 1 . 2]"
1 9 SER 0.011 0.007 17 0 "[ . 1 . 2]"
1 10 PRO 0.023 0.016 13 0 "[ . 1 . 2]"
1 11 PRO 0.179 0.016 13 0 "[ . 1 . 2]"
1 12 SER 0.039 0.011 11 0 "[ . 1 . 2]"
1 13 ASN 0.014 0.010 13 0 "[ . 1 . 2]"
1 14 LEU 0.079 0.024 14 0 "[ . 1 . 2]"
1 15 ALA 0.026 0.009 12 0 "[ . 1 . 2]"
1 16 LEU 0.523 0.029 10 0 "[ . 1 . 2]"
1 17 ALA 0.089 0.027 14 0 "[ . 1 . 2]"
1 18 SER 0.092 0.029 9 0 "[ . 1 . 2]"
1 19 GLU 0.185 0.071 19 0 "[ . 1 . 2]"
1 20 THR 0.445 0.184 16 0 "[ . 1 . 2]"
1 21 PRO 0.286 0.184 16 0 "[ . 1 . 2]"
1 22 ASP 0.159 0.044 15 0 "[ . 1 . 2]"
1 23 SER 0.224 0.033 10 0 "[ . 1 . 2]"
1 24 LEU 0.161 0.013 19 0 "[ . 1 . 2]"
1 25 GLN 0.341 0.033 10 0 "[ . 1 . 2]"
1 26 VAL 0.152 0.033 6 0 "[ . 1 . 2]"
1 27 SER 0.058 0.022 6 0 "[ . 1 . 2]"
1 28 TRP 0.190 0.037 6 0 "[ . 1 . 2]"
1 29 THR 0.028 0.010 13 0 "[ . 1 . 2]"
1 30 PRO 0.012 0.006 20 0 "[ . 1 . 2]"
1 31 PRO 0.042 0.008 11 0 "[ . 1 . 2]"
1 32 LEU 0.603 0.051 1 0 "[ . 1 . 2]"
1 33 GLY 0.012 0.005 12 0 "[ . 1 . 2]"
1 34 ARG 0.696 0.228 17 0 "[ . 1 . 2]"
1 35 VAL 0.222 0.071 17 0 "[ . 1 . 2]"
1 36 LEU 0.029 0.010 4 0 "[ . 1 . 2]"
1 37 HIS 0.082 0.030 18 0 "[ . 1 . 2]"
1 38 TYR 0.082 0.015 15 0 "[ . 1 . 2]"
1 39 TRP 0.143 0.030 12 0 "[ . 1 . 2]"
1 40 LEU 0.447 0.053 13 0 "[ . 1 . 2]"
1 41 THR 0.246 0.025 20 0 "[ . 1 . 2]"
1 42 TYR 0.186 0.037 20 0 "[ . 1 . 2]"
1 43 ALA 0.153 0.042 20 0 "[ . 1 . 2]"
1 44 PRO 0.106 0.037 20 0 "[ . 1 . 2]"
1 45 ALA 0.410 0.076 20 0 "[ . 1 . 2]"
1 46 SER 0.093 0.074 20 0 "[ . 1 . 2]"
1 47 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LEU 0.436 0.094 20 0 "[ . 1 . 2]"
1 49 GLY 0.137 0.094 20 0 "[ . 1 . 2]"
1 50 PRO 0.008 0.008 20 0 "[ . 1 . 2]"
1 51 GLU 0.068 0.022 20 0 "[ . 1 . 2]"
1 52 LYS 0.085 0.037 20 0 "[ . 1 . 2]"
1 53 SER 0.000 0.000 2 0 "[ . 1 . 2]"
1 54 VAL 0.542 0.053 13 0 "[ . 1 . 2]"
1 55 SER 0.279 0.093 18 0 "[ . 1 . 2]"
1 56 VAL 0.266 0.093 18 0 "[ . 1 . 2]"
1 57 PRO 0.716 0.072 18 0 "[ . 1 . 2]"
1 58 GLY 0.287 0.071 15 0 "[ . 1 . 2]"
1 59 ALA 0.100 0.054 18 0 "[ . 1 . 2]"
1 60 ARG 0.843 0.072 18 0 "[ . 1 . 2]"
1 61 SER 0.059 0.019 18 0 "[ . 1 . 2]"
1 62 HIS 0.250 0.041 14 0 "[ . 1 . 2]"
1 63 VAL 0.466 0.067 11 0 "[ . 1 . 2]"
1 64 THR 0.351 0.067 11 0 "[ . 1 . 2]"
1 65 LEU 0.852 0.083 14 0 "[ . 1 . 2]"
1 66 PRO 1.502 0.083 14 0 "[ . 1 . 2]"
1 67 ASP 0.596 0.067 14 0 "[ . 1 . 2]"
1 68 LEU 0.224 0.044 15 0 "[ . 1 . 2]"
1 69 GLN 0.067 0.028 15 0 "[ . 1 . 2]"
1 70 ALA 0.034 0.029 18 0 "[ . 1 . 2]"
1 71 ALA 0.063 0.046 11 0 "[ . 1 . 2]"
1 72 THR 0.045 0.014 20 0 "[ . 1 . 2]"
1 73 LYS 0.521 0.048 6 0 "[ . 1 . 2]"
1 74 TYR 0.600 0.052 5 0 "[ . 1 . 2]"
1 75 ARG 0.368 0.076 20 0 "[ . 1 . 2]"
1 76 VAL 0.243 0.024 9 0 "[ . 1 . 2]"
1 77 LEU 0.530 0.051 11 0 "[ . 1 . 2]"
1 78 VAL 0.254 0.051 11 0 "[ . 1 . 2]"
1 79 SER 0.302 0.025 11 0 "[ . 1 . 2]"
1 80 ALA 0.121 0.016 11 0 "[ . 1 . 2]"
1 81 ILE 0.121 0.014 8 0 "[ . 1 . 2]"
1 82 TYR 0.183 0.029 13 0 "[ . 1 . 2]"
1 83 ALA 0.007 0.006 15 0 "[ . 1 . 2]"
1 84 ALA 0.024 0.006 15 0 "[ . 1 . 2]"
1 85 GLY 0.010 0.004 11 0 "[ . 1 . 2]"
1 86 ARG 0.152 0.020 15 0 "[ . 1 . 2]"
1 87 SER 0.076 0.016 11 0 "[ . 1 . 2]"
1 88 GLU 0.014 0.005 17 0 "[ . 1 . 2]"
1 89 ALA 0.366 0.063 18 0 "[ . 1 . 2]"
1 90 VAL 0.806 0.119 18 0 "[ . 1 . 2]"
1 91 SER 0.823 0.119 18 0 "[ . 1 . 2]"
1 92 ALA 0.061 0.008 20 0 "[ . 1 . 2]"
1 93 THR 0.108 0.012 18 0 "[ . 1 . 2]"
1 94 GLY 0.641 0.095 6 0 "[ . 1 . 2]"
1 95 GLN 0.775 0.095 6 0 "[ . 1 . 2]"
1 96 THR 0.143 0.046 11 0 "[ . 1 . 2]"
1 97 ALA 0.043 0.017 6 0 "[ . 1 . 2]"
1 98 CYS 0.039 0.014 12 0 "[ . 1 . 2]"
1 99 PRO 0.034 0.029 18 0 "[ . 1 . 2]"
1 100 SER 0.002 0.002 6 0 "[ . 1 . 2]"
1 101 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 GLY QA 1 8 ARG HA . . 4.020 3.976 3.932 4.016 . 0 0 "[ . 1 . 2]" 1
2 1 7 GLY QA 1 8 ARG QG . . 4.670 3.562 3.188 4.320 . 0 0 "[ . 1 . 2]" 1
3 1 8 ARG H 1 8 ARG QG . . 4.660 2.546 1.887 3.249 . 0 0 "[ . 1 . 2]" 1
4 1 8 ARG HA 1 8 ARG HD2 . . 5.040 4.483 4.100 4.657 . 0 0 "[ . 1 . 2]" 1
5 1 8 ARG HA 1 8 ARG QD . . 4.290 4.115 3.857 4.272 . 0 0 "[ . 1 . 2]" 1
6 1 8 ARG HA 1 8 ARG HD3 . . 5.040 4.805 4.361 4.976 . 0 0 "[ . 1 . 2]" 1
7 1 8 ARG HA 1 8 ARG HG2 . . 3.690 2.754 2.440 3.638 . 0 0 "[ . 1 . 2]" 1
8 1 8 ARG HA 1 8 ARG QG . . 3.180 2.518 2.259 3.270 0.090 17 0 "[ . 1 . 2]" 1
9 1 8 ARG HA 1 8 ARG HG3 . . 3.690 2.965 2.404 3.705 0.015 17 0 "[ . 1 . 2]" 1
10 1 8 ARG HA 1 9 SER H . . 3.130 2.167 2.139 2.228 . 0 0 "[ . 1 . 2]" 1
11 1 8 ARG HA 1 9 SER HB2 . . 4.690 4.390 4.193 4.610 . 0 0 "[ . 1 . 2]" 1
12 1 8 ARG HA 1 31 PRO QB . . 5.500 5.289 4.912 5.477 . 0 0 "[ . 1 . 2]" 1
13 1 8 ARG HA 1 82 TYR HB2 . . 5.290 4.827 4.119 5.270 . 0 0 "[ . 1 . 2]" 1
14 1 8 ARG HA 1 82 TYR QD . . 4.130 3.642 3.053 4.103 . 0 0 "[ . 1 . 2]" 1
15 1 8 ARG HA 1 82 TYR QE . . 3.680 3.072 2.360 3.481 . 0 0 "[ . 1 . 2]" 1
16 1 8 ARG HA 1 87 SER HB2 . . 5.500 5.335 4.596 5.510 0.010 17 0 "[ . 1 . 2]" 1
17 1 8 ARG QB 1 8 ARG QD . . 2.940 2.249 2.048 2.375 . 0 0 "[ . 1 . 2]" 1
18 1 8 ARG QB 1 9 SER H . . 4.080 3.228 2.885 3.728 . 0 0 "[ . 1 . 2]" 1
19 1 8 ARG QB 1 82 TYR QD . . 3.730 2.742 1.885 3.759 0.029 13 0 "[ . 1 . 2]" 1
20 1 8 ARG QB 1 82 TYR QE . . 3.740 2.396 2.067 3.238 . 0 0 "[ . 1 . 2]" 1
21 1 8 ARG QB 1 87 SER H . . 4.600 3.391 2.921 3.689 . 0 0 "[ . 1 . 2]" 1
22 1 8 ARG QB 1 87 SER HB2 . . 4.640 3.347 2.770 3.625 . 0 0 "[ . 1 . 2]" 1
23 1 8 ARG QB 1 88 GLU H . . 5.320 4.676 3.842 5.091 . 0 0 "[ . 1 . 2]" 1
24 1 8 ARG HB2 1 8 ARG HD2 . . 4.000 2.704 2.179 3.595 . 0 0 "[ . 1 . 2]" 1
25 1 8 ARG HB2 1 8 ARG HD3 . . 4.000 3.550 2.489 3.818 . 0 0 "[ . 1 . 2]" 1
26 1 8 ARG HB2 1 9 SER H . . 4.750 4.185 3.745 4.534 . 0 0 "[ . 1 . 2]" 1
27 1 8 ARG HB2 1 82 TYR QE . . 4.510 3.978 2.597 4.504 . 0 0 "[ . 1 . 2]" 1
28 1 8 ARG HB2 1 87 SER HB3 . . 4.600 3.159 2.044 3.820 . 0 0 "[ . 1 . 2]" 1
29 1 8 ARG HB3 1 8 ARG HD2 . . 4.000 2.652 2.331 3.793 . 0 0 "[ . 1 . 2]" 1
30 1 8 ARG HB3 1 8 ARG HD3 . . 4.000 3.590 2.876 3.838 . 0 0 "[ . 1 . 2]" 1
31 1 8 ARG HB3 1 9 SER H . . 4.750 3.382 2.964 4.193 . 0 0 "[ . 1 . 2]" 1
32 1 8 ARG HB3 1 82 TYR QE . . 4.510 2.458 2.079 3.383 . 0 0 "[ . 1 . 2]" 1
33 1 8 ARG HB3 1 87 SER HB3 . . 4.600 2.224 1.998 3.771 . 0 0 "[ . 1 . 2]" 1
34 1 8 ARG QD 1 82 TYR QD . . 3.450 2.753 2.088 3.261 . 0 0 "[ . 1 . 2]" 1
35 1 8 ARG QD 1 82 TYR QE . . 4.780 3.995 3.676 4.525 . 0 0 "[ . 1 . 2]" 1
36 1 8 ARG QD 1 84 ALA MB . . 3.950 3.239 2.844 3.954 0.004 7 0 "[ . 1 . 2]" 1
37 1 8 ARG QD 1 85 GLY HA2 . . 4.380 4.173 3.978 4.376 . 0 0 "[ . 1 . 2]" 1
38 1 8 ARG QD 1 86 ARG H . . 4.130 3.836 2.949 4.133 0.003 4 0 "[ . 1 . 2]" 1
39 1 8 ARG HD2 1 82 TYR QD . . 4.210 2.996 2.131 4.146 . 0 0 "[ . 1 . 2]" 1
40 1 8 ARG HD2 1 85 GLY HA3 . . 4.240 3.941 2.833 4.234 . 0 0 "[ . 1 . 2]" 1
41 1 8 ARG HD2 1 86 ARG H . . 4.830 4.235 2.980 4.772 . 0 0 "[ . 1 . 2]" 1
42 1 8 ARG HD3 1 82 TYR QD . . 4.210 3.355 2.984 4.234 0.024 13 0 "[ . 1 . 2]" 1
43 1 8 ARG HD3 1 85 GLY HA3 . . 4.240 3.354 2.930 4.078 . 0 0 "[ . 1 . 2]" 1
44 1 8 ARG HD3 1 86 ARG H . . 4.830 4.513 3.417 4.838 0.008 11 0 "[ . 1 . 2]" 1
45 1 8 ARG QG 1 82 TYR HB2 . . 4.030 2.670 2.301 4.054 0.024 17 0 "[ . 1 . 2]" 1
46 1 8 ARG QG 1 82 TYR QD . . 3.870 2.290 1.866 3.847 . 0 0 "[ . 1 . 2]" 1
47 1 8 ARG QG 1 82 TYR QE . . 4.540 3.382 2.517 4.554 0.014 17 0 "[ . 1 . 2]" 1
48 1 8 ARG HG2 1 82 TYR QD . . 4.520 2.325 1.981 4.163 . 0 0 "[ . 1 . 2]" 1
49 1 8 ARG HG3 1 82 TYR QD . . 4.520 3.804 2.280 4.525 0.005 17 0 "[ . 1 . 2]" 1
50 1 9 SER H 1 9 SER HB2 . . 3.630 2.916 2.555 3.286 . 0 0 "[ . 1 . 2]" 1
51 1 9 SER H 1 9 SER HB3 . . 3.220 2.826 2.683 3.032 . 0 0 "[ . 1 . 2]" 1
52 1 9 SER H 1 10 PRO QD . . 5.060 4.097 3.880 4.217 . 0 0 "[ . 1 . 2]" 1
53 1 9 SER H 1 31 PRO QB . . 4.380 3.765 3.408 4.148 . 0 0 "[ . 1 . 2]" 1
54 1 9 SER H 1 82 TYR QD . . 4.950 4.524 4.189 4.874 . 0 0 "[ . 1 . 2]" 1
55 1 9 SER H 1 82 TYR QE . . 4.190 2.892 2.233 3.294 . 0 0 "[ . 1 . 2]" 1
56 1 9 SER HB2 1 31 PRO QB . . 3.550 3.409 3.185 3.557 0.007 17 0 "[ . 1 . 2]" 1
57 1 9 SER HB3 1 31 PRO QB . . 3.500 2.037 1.892 2.270 . 0 0 "[ . 1 . 2]" 1
58 1 9 SER HB3 1 31 PRO HG2 . . 4.770 4.362 3.816 4.767 . 0 0 "[ . 1 . 2]" 1
59 1 9 SER HB3 1 32 LEU H . . 4.600 4.127 3.526 4.586 . 0 0 "[ . 1 . 2]" 1
60 1 10 PRO HA 1 11 PRO HD2 . . 3.410 2.384 2.318 2.439 . 0 0 "[ . 1 . 2]" 1
61 1 10 PRO HA 1 11 PRO HD3 . . 3.440 2.301 2.281 2.321 . 0 0 "[ . 1 . 2]" 1
62 1 10 PRO HA 1 11 PRO HG2 . . 4.550 4.503 4.449 4.547 . 0 0 "[ . 1 . 2]" 1
63 1 10 PRO HA 1 11 PRO HG3 . . 4.520 4.468 4.431 4.501 . 0 0 "[ . 1 . 2]" 1
64 1 10 PRO HA 1 79 SER QB . . 5.500 5.270 5.026 5.500 . 0 0 "[ . 1 . 2]" 1
65 1 10 PRO HA 1 80 ALA H . . 4.220 2.957 2.644 3.223 . 0 0 "[ . 1 . 2]" 1
66 1 10 PRO HA 1 80 ALA MB . . 3.520 2.614 2.450 2.832 . 0 0 "[ . 1 . 2]" 1
67 1 10 PRO HA 1 87 SER HB2 . . 4.050 3.556 3.324 3.758 . 0 0 "[ . 1 . 2]" 1
68 1 10 PRO HA 1 87 SER HB3 . . 4.250 3.866 3.734 4.100 . 0 0 "[ . 1 . 2]" 1
69 1 10 PRO HA 1 87 SER HG . . 4.110 2.604 2.193 2.975 . 0 0 "[ . 1 . 2]" 1
70 1 10 PRO HA 1 88 GLU H . . 5.210 5.060 4.776 5.207 . 0 0 "[ . 1 . 2]" 1
71 1 10 PRO HA 1 90 VAL MG1 . . 4.940 4.694 4.408 4.860 . 0 0 "[ . 1 . 2]" 1
72 1 10 PRO HA 1 90 VAL MG2 . . 4.960 4.669 4.461 4.827 . 0 0 "[ . 1 . 2]" 1
73 1 10 PRO HB2 1 11 PRO HD2 . . 3.560 2.415 2.293 2.568 . 0 0 "[ . 1 . 2]" 1
74 1 10 PRO HB2 1 11 PRO HD3 . . 3.900 3.794 3.695 3.916 0.016 13 0 "[ . 1 . 2]" 1
75 1 10 PRO HB2 1 11 PRO HG2 . . 4.810 4.002 3.897 4.135 . 0 0 "[ . 1 . 2]" 1
76 1 10 PRO HB2 1 87 SER HB2 . . 4.750 4.547 4.354 4.755 0.005 2 0 "[ . 1 . 2]" 1
77 1 10 PRO HB2 1 87 SER HG . . 4.640 4.006 3.531 4.501 . 0 0 "[ . 1 . 2]" 1
78 1 10 PRO HB2 1 90 VAL MG1 . . 3.580 2.483 2.203 2.653 . 0 0 "[ . 1 . 2]" 1
79 1 10 PRO HB2 1 90 VAL MG2 . . 3.570 3.290 2.970 3.541 . 0 0 "[ . 1 . 2]" 1
80 1 10 PRO HB3 1 11 PRO HD2 . . 3.670 2.897 2.831 2.982 . 0 0 "[ . 1 . 2]" 1
81 1 10 PRO HB3 1 11 PRO HD3 . . 4.140 3.966 3.895 4.053 . 0 0 "[ . 1 . 2]" 1
82 1 10 PRO HB3 1 87 SER HB2 . . 4.310 2.907 2.728 3.101 . 0 0 "[ . 1 . 2]" 1
83 1 10 PRO HB3 1 87 SER HG . . 4.150 2.495 2.031 3.045 . 0 0 "[ . 1 . 2]" 1
84 1 10 PRO HB3 1 88 GLU H . . 4.540 3.462 3.282 3.655 . 0 0 "[ . 1 . 2]" 1
85 1 10 PRO HB3 1 88 GLU QG . . 4.500 2.301 2.106 2.623 . 0 0 "[ . 1 . 2]" 1
86 1 10 PRO HB3 1 90 VAL MG1 . . 3.710 3.561 3.221 3.713 0.003 18 0 "[ . 1 . 2]" 1
87 1 10 PRO HB3 1 90 VAL MG2 . . 4.550 4.301 4.094 4.458 . 0 0 "[ . 1 . 2]" 1
88 1 10 PRO QD 1 88 GLU H . . 4.730 3.635 3.329 3.793 . 0 0 "[ . 1 . 2]" 1
89 1 10 PRO QD 1 88 GLU QG . . 4.650 3.250 3.105 3.363 . 0 0 "[ . 1 . 2]" 1
90 1 10 PRO HG2 1 88 GLU QG . . 4.670 3.476 3.407 3.525 . 0 0 "[ . 1 . 2]" 1
91 1 10 PRO HG2 1 90 VAL MG1 . . 3.940 3.671 3.333 3.849 . 0 0 "[ . 1 . 2]" 1
92 1 10 PRO HG3 1 11 PRO HD2 . . 5.180 4.843 4.747 4.961 . 0 0 "[ . 1 . 2]" 1
93 1 10 PRO HG3 1 87 SER HB2 . . 4.520 3.571 3.273 3.786 . 0 0 "[ . 1 . 2]" 1
94 1 10 PRO HG3 1 88 GLU H . . 4.050 3.831 3.611 4.016 . 0 0 "[ . 1 . 2]" 1
95 1 10 PRO HG3 1 88 GLU QG . . 4.250 1.983 1.969 2.010 . 0 0 "[ . 1 . 2]" 1
96 1 10 PRO HG3 1 90 VAL MG1 . . 4.180 3.881 3.506 4.089 . 0 0 "[ . 1 . 2]" 1
97 1 11 PRO HA 1 12 SER H . . 3.040 2.156 2.150 2.205 . 0 0 "[ . 1 . 2]" 1
98 1 11 PRO HA 1 28 TRP HD1 . . 4.620 3.793 3.425 3.972 . 0 0 "[ . 1 . 2]" 1
99 1 11 PRO HA 1 29 THR HB . . 5.200 4.844 4.530 5.201 0.001 6 0 "[ . 1 . 2]" 1
100 1 11 PRO HA 1 31 PRO HD2 . . 5.210 4.898 4.694 5.088 . 0 0 "[ . 1 . 2]" 1
101 1 11 PRO HA 1 31 PRO HD3 . . 3.830 3.324 3.168 3.489 . 0 0 "[ . 1 . 2]" 1
102 1 11 PRO HA 1 31 PRO HG3 . . 5.020 4.886 4.626 5.027 0.007 8 0 "[ . 1 . 2]" 1
103 1 11 PRO QB 1 12 SER H . . 3.510 3.342 3.047 3.443 . 0 0 "[ . 1 . 2]" 1
104 1 11 PRO QB 1 14 LEU MD2 . . 5.050 3.439 3.196 3.665 . 0 0 "[ . 1 . 2]" 1
105 1 11 PRO QB 1 28 TRP HB2 . . 3.580 2.476 2.205 2.679 . 0 0 "[ . 1 . 2]" 1
106 1 11 PRO QB 1 28 TRP HB3 . . 3.860 3.212 2.973 3.310 . 0 0 "[ . 1 . 2]" 1
107 1 11 PRO QB 1 28 TRP HD1 . . 3.440 2.749 2.498 2.962 . 0 0 "[ . 1 . 2]" 1
108 1 11 PRO QB 1 29 THR H . . 4.460 4.054 3.828 4.232 . 0 0 "[ . 1 . 2]" 1
109 1 11 PRO QB 1 78 VAL QG . . 3.890 2.870 2.518 3.157 . 0 0 "[ . 1 . 2]" 1
110 1 11 PRO QB 1 90 VAL MG2 . . 4.200 3.192 3.061 3.343 . 0 0 "[ . 1 . 2]" 1
111 1 11 PRO HB2 1 12 SER H . . 4.110 3.571 3.211 3.694 . 0 0 "[ . 1 . 2]" 1
112 1 11 PRO HB2 1 28 TRP HB2 . . 4.230 2.532 2.242 2.757 . 0 0 "[ . 1 . 2]" 1
113 1 11 PRO HB2 1 28 TRP HB3 . . 4.570 3.288 3.030 3.397 . 0 0 "[ . 1 . 2]" 1
114 1 11 PRO HB2 1 28 TRP HD1 . . 3.930 3.439 3.135 3.654 . 0 0 "[ . 1 . 2]" 1
115 1 11 PRO HB3 1 12 SER H . . 4.110 4.027 3.792 4.112 0.002 11 0 "[ . 1 . 2]" 1
116 1 11 PRO HB3 1 28 TRP HB2 . . 4.230 3.505 3.272 3.665 . 0 0 "[ . 1 . 2]" 1
117 1 11 PRO HB3 1 28 TRP HB3 . . 4.570 4.510 4.247 4.579 0.009 17 0 "[ . 1 . 2]" 1
118 1 11 PRO HB3 1 28 TRP HD1 . . 3.930 2.891 2.625 3.131 . 0 0 "[ . 1 . 2]" 1
119 1 11 PRO HD2 1 78 VAL QG . . 4.490 4.005 3.687 4.296 . 0 0 "[ . 1 . 2]" 1
120 1 11 PRO HD2 1 80 ALA H . . 4.450 3.197 2.824 3.506 . 0 0 "[ . 1 . 2]" 1
121 1 11 PRO HD2 1 80 ALA HA . . 5.500 5.453 5.231 5.509 0.009 14 0 "[ . 1 . 2]" 1
122 1 11 PRO HD2 1 80 ALA MB . . 3.900 3.683 3.487 3.903 0.003 13 0 "[ . 1 . 2]" 1
123 1 11 PRO HD2 1 87 SER HB2 . . 5.500 5.273 5.139 5.473 . 0 0 "[ . 1 . 2]" 1
124 1 11 PRO HD2 1 87 SER HG . . 4.860 3.631 3.308 3.920 . 0 0 "[ . 1 . 2]" 1
125 1 11 PRO HD2 1 90 VAL MG1 . . 3.800 3.436 3.278 3.632 . 0 0 "[ . 1 . 2]" 1
126 1 11 PRO HD2 1 90 VAL MG2 . . 3.360 2.680 2.570 2.759 . 0 0 "[ . 1 . 2]" 1
127 1 11 PRO HD3 1 78 VAL QG . . 4.690 3.627 3.368 3.926 . 0 0 "[ . 1 . 2]" 1
128 1 11 PRO HD3 1 80 ALA H . . 4.250 2.476 2.013 2.860 . 0 0 "[ . 1 . 2]" 1
129 1 11 PRO HD3 1 80 ALA HA . . 4.950 3.993 3.708 4.129 . 0 0 "[ . 1 . 2]" 1
130 1 11 PRO HD3 1 80 ALA MB . . 3.310 2.325 2.090 2.604 . 0 0 "[ . 1 . 2]" 1
131 1 11 PRO HD3 1 87 SER HG . . 4.870 3.842 3.615 4.046 . 0 0 "[ . 1 . 2]" 1
132 1 11 PRO HD3 1 90 VAL MG2 . . 4.010 3.978 3.905 4.020 0.010 4 0 "[ . 1 . 2]" 1
133 1 11 PRO HG2 1 12 SER H . . 5.000 4.969 4.812 5.011 0.011 11 0 "[ . 1 . 2]" 1
134 1 11 PRO HG2 1 78 VAL MG1 . . 4.850 3.163 2.842 3.448 . 0 0 "[ . 1 . 2]" 1
135 1 11 PRO HG2 1 78 VAL QG . . 3.590 3.029 2.769 3.206 . 0 0 "[ . 1 . 2]" 1
136 1 11 PRO HG2 1 78 VAL MG2 . . 4.850 3.906 3.708 4.367 . 0 0 "[ . 1 . 2]" 1
137 1 11 PRO HG2 1 90 VAL HB . . 4.760 4.586 4.406 4.710 . 0 0 "[ . 1 . 2]" 1
138 1 11 PRO HG3 1 28 TRP HD1 . . 5.330 4.946 4.597 5.202 . 0 0 "[ . 1 . 2]" 1
139 1 11 PRO HG3 1 78 VAL MG1 . . 4.630 2.017 1.832 2.335 . 0 0 "[ . 1 . 2]" 1
140 1 11 PRO HG3 1 78 VAL QG . . 3.240 2.010 1.828 2.316 . 0 0 "[ . 1 . 2]" 1
141 1 11 PRO HG3 1 78 VAL MG2 . . 4.630 3.860 3.649 4.218 . 0 0 "[ . 1 . 2]" 1
142 1 11 PRO HG3 1 90 VAL MG2 . . 3.940 3.266 3.118 3.375 . 0 0 "[ . 1 . 2]" 1
143 1 12 SER H 1 12 SER HB2 . . 4.020 2.684 2.634 2.786 . 0 0 "[ . 1 . 2]" 1
144 1 12 SER H 1 12 SER HB3 . . 4.140 3.775 3.726 3.850 . 0 0 "[ . 1 . 2]" 1
145 1 12 SER H 1 28 TRP HB2 . . 4.150 3.626 3.235 3.817 . 0 0 "[ . 1 . 2]" 1
146 1 12 SER H 1 28 TRP HB3 . . 5.500 5.199 4.826 5.448 . 0 0 "[ . 1 . 2]" 1
147 1 12 SER H 1 28 TRP HD1 . . 4.900 4.579 4.173 4.830 . 0 0 "[ . 1 . 2]" 1
148 1 12 SER H 1 29 THR H . . 3.680 3.262 2.897 3.408 . 0 0 "[ . 1 . 2]" 1
149 1 12 SER H 1 29 THR HB . . 3.660 3.301 3.062 3.624 . 0 0 "[ . 1 . 2]" 1
150 1 12 SER H 1 29 THR MG . . 4.360 4.259 4.041 4.367 0.007 11 0 "[ . 1 . 2]" 1
151 1 12 SER H 1 31 PRO HD3 . . 5.090 4.812 4.536 4.998 . 0 0 "[ . 1 . 2]" 1
152 1 12 SER HA 1 13 ASN H . . 3.410 2.563 2.536 2.568 . 0 0 "[ . 1 . 2]" 1
153 1 12 SER HB2 1 13 ASN H . . 3.620 3.192 3.151 3.234 . 0 0 "[ . 1 . 2]" 1
154 1 12 SER HB2 1 13 ASN HA . . 4.940 4.890 4.842 4.930 . 0 0 "[ . 1 . 2]" 1
155 1 12 SER HB2 1 29 THR HB . . 4.320 3.429 3.079 3.745 . 0 0 "[ . 1 . 2]" 1
156 1 12 SER HB2 1 29 THR MG . . 5.210 4.258 3.979 4.474 . 0 0 "[ . 1 . 2]" 1
157 1 12 SER HB3 1 13 ASN H . . 3.310 2.177 2.154 2.228 . 0 0 "[ . 1 . 2]" 1
158 1 12 SER HB3 1 13 ASN HA . . 4.470 4.255 4.227 4.291 . 0 0 "[ . 1 . 2]" 1
159 1 12 SER HB3 1 13 ASN QB . . 4.800 4.349 4.244 4.480 . 0 0 "[ . 1 . 2]" 1
160 1 12 SER HB3 1 14 LEU H . . 4.740 4.598 4.526 4.743 0.003 14 0 "[ . 1 . 2]" 1
161 1 13 ASN H 1 13 ASN HA . . 2.940 2.274 2.273 2.275 . 0 0 "[ . 1 . 2]" 1
162 1 13 ASN H 1 13 ASN HB2 . . 4.170 3.482 3.415 3.597 . 0 0 "[ . 1 . 2]" 1
163 1 13 ASN H 1 13 ASN HB3 . . 4.170 4.091 4.072 4.103 . 0 0 "[ . 1 . 2]" 1
164 1 13 ASN H 1 14 LEU H . . 3.450 2.665 2.619 2.776 . 0 0 "[ . 1 . 2]" 1
165 1 13 ASN HA 1 14 LEU H . . 3.140 2.821 2.722 2.870 . 0 0 "[ . 1 . 2]" 1
166 1 13 ASN QB 1 13 ASN QD . . 3.070 2.132 2.064 2.267 . 0 0 "[ . 1 . 2]" 1
167 1 13 ASN QB 1 15 ALA H . . 5.340 5.250 5.072 5.341 0.001 13 0 "[ . 1 . 2]" 1
168 1 13 ASN QB 1 15 ALA MB . . 4.460 4.346 4.222 4.448 . 0 0 "[ . 1 . 2]" 1
169 1 13 ASN QB 1 28 TRP HA . . 4.680 3.423 3.195 3.585 . 0 0 "[ . 1 . 2]" 1
170 1 13 ASN QB 1 29 THR H . . 3.780 2.771 2.565 3.001 . 0 0 "[ . 1 . 2]" 1
171 1 13 ASN QB 1 29 THR HB . . 3.630 2.794 2.435 3.032 . 0 0 "[ . 1 . 2]" 1
172 1 13 ASN QB 1 29 THR MG . . 4.020 3.949 3.656 4.030 0.010 13 0 "[ . 1 . 2]" 1
173 1 13 ASN HB2 1 14 LEU H . . 4.490 4.229 4.159 4.321 . 0 0 "[ . 1 . 2]" 1
174 1 13 ASN HB2 1 29 THR H . . 4.560 2.809 2.588 3.061 . 0 0 "[ . 1 . 2]" 1
175 1 13 ASN HB3 1 14 LEU H . . 4.490 4.418 4.388 4.471 . 0 0 "[ . 1 . 2]" 1
176 1 13 ASN HB3 1 29 THR H . . 4.560 4.263 4.095 4.525 . 0 0 "[ . 1 . 2]" 1
177 1 13 ASN QD 1 29 THR HB . . 3.740 2.441 1.886 3.373 . 0 0 "[ . 1 . 2]" 1
178 1 13 ASN QD 1 29 THR MG . . 3.650 3.073 2.637 3.355 . 0 0 "[ . 1 . 2]" 1
179 1 13 ASN HD21 1 29 THR HB . . 4.500 2.473 1.899 3.527 . 0 0 "[ . 1 . 2]" 1
180 1 13 ASN HD21 1 29 THR MG . . 4.270 3.239 2.720 3.660 . 0 0 "[ . 1 . 2]" 1
181 1 13 ASN HD22 1 29 THR HB . . 4.500 3.894 3.205 4.290 . 0 0 "[ . 1 . 2]" 1
182 1 13 ASN HD22 1 29 THR MG . . 4.270 3.866 3.432 4.261 . 0 0 "[ . 1 . 2]" 1
183 1 14 LEU H 1 14 LEU HB2 . . 3.500 2.180 2.159 2.216 . 0 0 "[ . 1 . 2]" 1
184 1 14 LEU H 1 14 LEU QB . . 2.860 2.159 2.139 2.194 . 0 0 "[ . 1 . 2]" 1
185 1 14 LEU H 1 14 LEU HB3 . . 3.500 3.492 3.477 3.513 0.013 6 0 "[ . 1 . 2]" 1
186 1 14 LEU H 1 14 LEU MD1 . . 4.020 3.697 3.539 3.813 . 0 0 "[ . 1 . 2]" 1
187 1 14 LEU H 1 14 LEU MD2 . . 3.990 3.915 3.830 3.992 0.002 4 0 "[ . 1 . 2]" 1
188 1 14 LEU H 1 14 LEU HG . . 3.980 2.914 2.804 2.989 . 0 0 "[ . 1 . 2]" 1
189 1 14 LEU H 1 15 ALA H . . 4.610 4.548 4.489 4.571 . 0 0 "[ . 1 . 2]" 1
190 1 14 LEU H 1 92 ALA MB . . 5.130 4.930 4.626 5.128 . 0 0 "[ . 1 . 2]" 1
191 1 14 LEU QB 1 15 ALA H . . 3.960 3.252 3.183 3.391 . 0 0 "[ . 1 . 2]" 1
192 1 14 LEU HB2 1 14 LEU MD1 . . 3.330 2.279 2.134 2.361 . 0 0 "[ . 1 . 2]" 1
193 1 14 LEU HB2 1 15 ALA H . . 4.570 4.378 4.336 4.452 . 0 0 "[ . 1 . 2]" 1
194 1 14 LEU HB3 1 14 LEU MD1 . . 3.330 2.404 2.311 2.505 . 0 0 "[ . 1 . 2]" 1
195 1 14 LEU HB3 1 15 ALA H . . 4.570 3.353 3.274 3.516 . 0 0 "[ . 1 . 2]" 1
196 1 14 LEU MD1 1 15 ALA H . . 5.100 4.957 4.850 5.101 0.001 4 0 "[ . 1 . 2]" 1
197 1 14 LEU MD1 1 76 VAL HB . . 4.440 4.010 3.686 4.398 . 0 0 "[ . 1 . 2]" 1
198 1 14 LEU MD1 1 77 LEU HA . . 5.040 4.023 3.857 4.174 . 0 0 "[ . 1 . 2]" 1
199 1 14 LEU MD1 1 78 VAL H . . 3.900 3.340 3.104 3.597 . 0 0 "[ . 1 . 2]" 1
200 1 14 LEU MD1 1 78 VAL HB . . 4.130 3.508 3.103 4.009 . 0 0 "[ . 1 . 2]" 1
201 1 14 LEU MD1 1 90 VAL H . . 4.590 4.160 3.986 4.457 . 0 0 "[ . 1 . 2]" 1
202 1 14 LEU MD1 1 90 VAL HA . . 4.740 4.125 3.850 4.418 . 0 0 "[ . 1 . 2]" 1
203 1 14 LEU MD1 1 90 VAL HB . . 3.620 2.179 1.969 2.673 . 0 0 "[ . 1 . 2]" 1
204 1 14 LEU MD1 1 91 SER H . . 4.350 4.140 3.810 4.324 . 0 0 "[ . 1 . 2]" 1
205 1 14 LEU MD1 1 91 SER HA . . 3.940 3.840 3.539 3.942 0.002 2 0 "[ . 1 . 2]" 1
206 1 14 LEU MD1 1 91 SER QB . . 5.150 4.877 4.450 5.024 . 0 0 "[ . 1 . 2]" 1
207 1 14 LEU MD1 1 92 ALA H . . 4.110 4.035 3.897 4.111 0.001 2 0 "[ . 1 . 2]" 1
208 1 14 LEU MD1 1 92 ALA MB . . 2.590 1.912 1.774 2.131 . 0 0 "[ . 1 . 2]" 1
209 1 14 LEU MD2 1 15 ALA H . . 3.280 2.921 2.692 3.120 . 0 0 "[ . 1 . 2]" 1
210 1 14 LEU MD2 1 26 VAL MG2 . . 2.830 2.425 2.144 2.598 . 0 0 "[ . 1 . 2]" 1
211 1 14 LEU MD2 1 27 SER H . . 4.160 4.017 3.820 4.162 0.002 10 0 "[ . 1 . 2]" 1
212 1 14 LEU MD2 1 28 TRP H . . 4.870 4.735 4.280 4.894 0.024 14 0 "[ . 1 . 2]" 1
213 1 14 LEU MD2 1 28 TRP HA . . 3.940 3.681 3.465 3.840 . 0 0 "[ . 1 . 2]" 1
214 1 14 LEU MD2 1 28 TRP HB2 . . 3.840 3.325 3.066 3.485 . 0 0 "[ . 1 . 2]" 1
215 1 14 LEU MD2 1 28 TRP HB3 . . 3.530 2.027 1.959 2.194 . 0 0 "[ . 1 . 2]" 1
216 1 14 LEU MD2 1 28 TRP HE3 . . 3.270 2.403 2.126 2.607 . 0 0 "[ . 1 . 2]" 1
217 1 14 LEU MD2 1 28 TRP HZ3 . . 4.180 3.916 3.590 4.177 . 0 0 "[ . 1 . 2]" 1
218 1 14 LEU MD2 1 29 THR H . . 5.090 4.932 4.799 5.095 0.005 1 0 "[ . 1 . 2]" 1
219 1 14 LEU MD2 1 78 VAL H . . 4.560 4.162 3.906 4.499 . 0 0 "[ . 1 . 2]" 1
220 1 14 LEU MD2 1 78 VAL QG . . 3.920 2.150 1.889 2.492 . 0 0 "[ . 1 . 2]" 1
221 1 14 LEU MD2 1 90 VAL HB . . 5.480 4.696 4.236 5.144 . 0 0 "[ . 1 . 2]" 1
222 1 14 LEU HG 1 15 ALA H . . 4.880 4.704 4.611 4.759 . 0 0 "[ . 1 . 2]" 1
223 1 15 ALA H 1 15 ALA MB . . 3.050 2.539 2.403 2.604 . 0 0 "[ . 1 . 2]" 1
224 1 15 ALA H 1 16 LEU H . . 4.410 4.032 3.849 4.178 . 0 0 "[ . 1 . 2]" 1
225 1 15 ALA H 1 16 LEU HA . . 4.820 4.634 4.540 4.725 . 0 0 "[ . 1 . 2]" 1
226 1 15 ALA H 1 16 LEU MD1 . . 4.730 3.484 3.341 3.677 . 0 0 "[ . 1 . 2]" 1
227 1 15 ALA H 1 26 VAL MG2 . . 4.330 3.470 3.273 3.740 . 0 0 "[ . 1 . 2]" 1
228 1 15 ALA H 1 27 SER H . . 3.630 2.996 2.845 3.117 . 0 0 "[ . 1 . 2]" 1
229 1 15 ALA H 1 28 TRP HB2 . . 5.500 5.458 5.357 5.509 0.009 12 0 "[ . 1 . 2]" 1
230 1 15 ALA H 1 28 TRP HB3 . . 4.510 4.123 3.971 4.261 . 0 0 "[ . 1 . 2]" 1
231 1 15 ALA MB 1 16 LEU H . . 3.600 3.396 3.251 3.516 . 0 0 "[ . 1 . 2]" 1
232 1 15 ALA MB 1 16 LEU HA . . 4.510 4.284 4.180 4.364 . 0 0 "[ . 1 . 2]" 1
233 1 15 ALA MB 1 17 ALA H . . 4.830 4.647 4.391 4.749 . 0 0 "[ . 1 . 2]" 1
234 1 15 ALA MB 1 27 SER H . . 3.740 3.437 3.127 3.640 . 0 0 "[ . 1 . 2]" 1
235 1 15 ALA MB 1 27 SER HB2 . . 4.860 4.270 3.130 4.756 . 0 0 "[ . 1 . 2]" 1
236 1 15 ALA MB 1 27 SER HB3 . . 4.860 4.171 3.174 4.841 . 0 0 "[ . 1 . 2]" 1
237 1 15 ALA MB 1 28 TRP HA . . 4.560 4.439 4.295 4.564 0.004 8 0 "[ . 1 . 2]" 1
238 1 16 LEU H 1 16 LEU HB2 . . 3.040 2.209 2.158 2.272 . 0 0 "[ . 1 . 2]" 1
239 1 16 LEU H 1 16 LEU HB3 . . 3.580 3.481 3.465 3.512 . 0 0 "[ . 1 . 2]" 1
240 1 16 LEU H 1 16 LEU MD1 . . 3.980 2.633 2.378 2.746 . 0 0 "[ . 1 . 2]" 1
241 1 16 LEU H 1 16 LEU MD2 . . 4.190 4.121 3.919 4.197 0.007 18 0 "[ . 1 . 2]" 1
242 1 16 LEU H 1 16 LEU HG . . 4.400 4.197 4.114 4.273 . 0 0 "[ . 1 . 2]" 1
243 1 16 LEU H 1 17 ALA H . . 4.440 4.364 4.243 4.421 . 0 0 "[ . 1 . 2]" 1
244 1 16 LEU HA 1 16 LEU MD1 . . 3.180 2.538 2.334 2.645 . 0 0 "[ . 1 . 2]" 1
245 1 16 LEU HA 1 16 LEU MD2 . . 3.930 3.756 3.731 3.795 . 0 0 "[ . 1 . 2]" 1
246 1 16 LEU HA 1 16 LEU HG . . 3.890 2.424 2.383 2.512 . 0 0 "[ . 1 . 2]" 1
247 1 16 LEU HA 1 17 ALA H . . 2.850 2.144 2.139 2.170 . 0 0 "[ . 1 . 2]" 1
248 1 16 LEU HA 1 17 ALA MB . . 4.060 4.004 3.935 4.087 0.027 14 0 "[ . 1 . 2]" 1
249 1 16 LEU HA 1 24 LEU MD1 . . 4.920 4.686 4.470 4.863 . 0 0 "[ . 1 . 2]" 1
250 1 16 LEU HA 1 24 LEU MD2 . . 4.340 3.829 3.430 4.116 . 0 0 "[ . 1 . 2]" 1
251 1 16 LEU HA 1 25 GLN H . . 5.500 5.471 5.243 5.520 0.020 15 0 "[ . 1 . 2]" 1
252 1 16 LEU HA 1 25 GLN QB . . 5.260 4.772 4.562 5.071 . 0 0 "[ . 1 . 2]" 1
253 1 16 LEU HA 1 26 VAL MG1 . . 5.060 4.705 4.481 4.865 . 0 0 "[ . 1 . 2]" 1
254 1 16 LEU HA 1 26 VAL MG2 . . 4.360 3.372 2.917 3.615 . 0 0 "[ . 1 . 2]" 1
255 1 16 LEU HA 1 27 SER H . . 4.410 3.873 3.674 4.007 . 0 0 "[ . 1 . 2]" 1
256 1 16 LEU HB2 1 16 LEU MD1 . . 3.600 2.306 2.232 2.384 . 0 0 "[ . 1 . 2]" 1
257 1 16 LEU HB2 1 16 LEU MD2 . . 3.610 2.391 2.294 2.464 . 0 0 "[ . 1 . 2]" 1
258 1 16 LEU HB2 1 26 VAL HB . . 5.500 5.397 5.170 5.511 0.011 6 0 "[ . 1 . 2]" 1
259 1 16 LEU HB2 1 94 GLY HA2 . . 4.270 3.454 3.234 3.625 . 0 0 "[ . 1 . 2]" 1
260 1 16 LEU HB2 1 94 GLY HA3 . . 4.960 2.718 2.442 3.009 . 0 0 "[ . 1 . 2]" 1
261 1 16 LEU HB3 1 16 LEU MD2 . . 3.160 2.320 2.257 2.399 . 0 0 "[ . 1 . 2]" 1
262 1 16 LEU HB3 1 17 ALA H . . 4.100 3.635 3.546 3.818 . 0 0 "[ . 1 . 2]" 1
263 1 16 LEU HB3 1 24 LEU MD1 . . 4.030 3.348 3.057 3.462 . 0 0 "[ . 1 . 2]" 1
264 1 16 LEU HB3 1 24 LEU MD2 . . 4.210 2.753 2.136 3.140 . 0 0 "[ . 1 . 2]" 1
265 1 16 LEU HB3 1 94 GLY HA2 . . 4.330 3.479 3.195 3.716 . 0 0 "[ . 1 . 2]" 1
266 1 16 LEU HB3 1 94 GLY HA3 . . 4.620 2.135 1.999 2.251 . 0 0 "[ . 1 . 2]" 1
267 1 16 LEU MD1 1 17 ALA H . . 4.510 4.412 4.228 4.510 . 0 0 "[ . 1 . 2]" 1
268 1 16 LEU MD1 1 26 VAL HB . . 4.210 3.179 2.902 3.336 . 0 0 "[ . 1 . 2]" 1
269 1 16 LEU MD1 1 27 SER H . . 4.060 3.965 3.685 4.063 0.003 5 0 "[ . 1 . 2]" 1
270 1 16 LEU MD1 1 74 TYR QB . . 5.500 5.513 5.504 5.529 0.029 10 0 "[ . 1 . 2]" 1
271 1 16 LEU MD1 1 76 VAL HA . . 5.260 5.007 4.867 5.174 . 0 0 "[ . 1 . 2]" 1
272 1 16 LEU MD1 1 76 VAL HB . . 3.190 2.351 2.176 2.534 . 0 0 "[ . 1 . 2]" 1
273 1 16 LEU MD1 1 92 ALA H . . 4.860 4.564 4.321 4.739 . 0 0 "[ . 1 . 2]" 1
274 1 16 LEU MD1 1 93 THR HA . . 5.100 4.678 4.335 4.985 . 0 0 "[ . 1 . 2]" 1
275 1 16 LEU MD1 1 94 GLY H . . 4.570 4.555 4.490 4.598 0.028 6 0 "[ . 1 . 2]" 1
276 1 16 LEU MD1 1 94 GLY HA2 . . 4.910 4.725 4.533 4.841 . 0 0 "[ . 1 . 2]" 1
277 1 16 LEU MD1 1 94 GLY HA3 . . 4.440 3.921 3.778 4.031 . 0 0 "[ . 1 . 2]" 1
278 1 16 LEU MD2 1 17 ALA H . . 5.340 4.988 4.892 5.158 . 0 0 "[ . 1 . 2]" 1
279 1 16 LEU MD2 1 26 VAL HB . . 4.740 4.053 3.876 4.216 . 0 0 "[ . 1 . 2]" 1
280 1 16 LEU MD2 1 74 TYR QB . . 4.620 3.475 3.302 3.616 . 0 0 "[ . 1 . 2]" 1
281 1 16 LEU MD2 1 75 ARG HA . . 4.470 4.088 3.698 4.358 . 0 0 "[ . 1 . 2]" 1
282 1 16 LEU MD2 1 76 VAL H . . 4.150 2.932 2.673 3.175 . 0 0 "[ . 1 . 2]" 1
283 1 16 LEU MD2 1 76 VAL HB . . 3.450 2.713 2.253 3.091 . 0 0 "[ . 1 . 2]" 1
284 1 16 LEU MD2 1 92 ALA H . . 4.700 4.537 4.362 4.708 0.008 20 0 "[ . 1 . 2]" 1
285 1 16 LEU MD2 1 93 THR H . . 4.400 3.970 3.817 4.241 . 0 0 "[ . 1 . 2]" 1
286 1 16 LEU MD2 1 93 THR HA . . 3.760 3.023 2.710 3.216 . 0 0 "[ . 1 . 2]" 1
287 1 16 LEU MD2 1 93 THR HB . . 4.780 4.578 4.301 4.785 0.005 15 0 "[ . 1 . 2]" 1
288 1 16 LEU MD2 1 94 GLY H . . 3.420 2.282 2.176 2.440 . 0 0 "[ . 1 . 2]" 1
289 1 16 LEU MD2 1 94 GLY HA2 . . 3.320 2.982 2.763 3.163 . 0 0 "[ . 1 . 2]" 1
290 1 16 LEU MD2 1 94 GLY HA3 . . 3.630 1.904 1.794 2.082 . 0 0 "[ . 1 . 2]" 1
291 1 16 LEU MD2 1 95 GLN H . . 4.770 4.546 4.434 4.634 . 0 0 "[ . 1 . 2]" 1
292 1 16 LEU HG 1 17 ALA H . . 4.580 4.064 3.986 4.274 . 0 0 "[ . 1 . 2]" 1
293 1 16 LEU HG 1 24 LEU MD1 . . 4.660 4.389 4.057 4.599 . 0 0 "[ . 1 . 2]" 1
294 1 16 LEU HG 1 24 LEU MD2 . . 3.970 2.374 2.158 2.632 . 0 0 "[ . 1 . 2]" 1
295 1 16 LEU HG 1 26 VAL MG1 . . 4.310 4.204 3.939 4.315 0.005 6 0 "[ . 1 . 2]" 1
296 1 16 LEU HG 1 26 VAL MG2 . . 3.970 3.050 2.728 3.666 . 0 0 "[ . 1 . 2]" 1
297 1 16 LEU HG 1 94 GLY HA2 . . 5.500 5.368 5.126 5.496 . 0 0 "[ . 1 . 2]" 1
298 1 17 ALA H 1 17 ALA MB . . 3.080 2.375 2.306 2.453 . 0 0 "[ . 1 . 2]" 1
299 1 17 ALA H 1 24 LEU MD1 . . 4.570 4.136 3.899 4.522 . 0 0 "[ . 1 . 2]" 1
300 1 17 ALA H 1 24 LEU MD2 . . 5.170 4.347 3.844 4.700 . 0 0 "[ . 1 . 2]" 1
301 1 17 ALA H 1 25 GLN H . . 4.450 3.922 3.683 4.140 . 0 0 "[ . 1 . 2]" 1
302 1 17 ALA H 1 25 GLN QB . . 3.840 3.038 2.817 3.317 . 0 0 "[ . 1 . 2]" 1
303 1 17 ALA H 1 26 VAL H . . 5.070 4.605 4.471 4.729 . 0 0 "[ . 1 . 2]" 1
304 1 17 ALA H 1 27 SER H . . 5.400 4.594 4.292 4.862 . 0 0 "[ . 1 . 2]" 1
305 1 17 ALA HA 1 18 SER H . . 3.250 2.156 2.141 2.198 . 0 0 "[ . 1 . 2]" 1
306 1 17 ALA HA 1 18 SER QB . . 5.340 4.067 4.021 4.126 . 0 0 "[ . 1 . 2]" 1
307 1 17 ALA MB 1 18 SER H . . 3.550 3.112 2.895 3.289 . 0 0 "[ . 1 . 2]" 1
308 1 17 ALA MB 1 18 SER HA . . 4.500 4.194 4.107 4.279 . 0 0 "[ . 1 . 2]" 1
309 1 17 ALA MB 1 18 SER QB . . 5.290 4.638 4.525 4.784 . 0 0 "[ . 1 . 2]" 1
310 1 17 ALA MB 1 19 GLU HA . . 5.280 5.192 5.098 5.296 0.016 14 0 "[ . 1 . 2]" 1
311 1 17 ALA MB 1 25 GLN H . . 4.070 3.826 3.679 4.089 0.019 14 0 "[ . 1 . 2]" 1
312 1 17 ALA MB 1 25 GLN QB . . 3.030 2.157 1.942 2.396 . 0 0 "[ . 1 . 2]" 1
313 1 17 ALA MB 1 25 GLN QG . . 3.690 3.431 3.068 3.701 0.011 14 0 "[ . 1 . 2]" 1
314 1 18 SER H 1 18 SER QB . . 3.700 2.403 2.315 2.560 . 0 0 "[ . 1 . 2]" 1
315 1 18 SER H 1 24 LEU MD1 . . 4.000 3.363 2.915 3.705 . 0 0 "[ . 1 . 2]" 1
316 1 18 SER HA 1 19 GLU H . . 3.320 2.145 2.139 2.168 . 0 0 "[ . 1 . 2]" 1
317 1 18 SER HA 1 19 GLU QG . . 4.600 3.960 3.409 4.376 . 0 0 "[ . 1 . 2]" 1
318 1 18 SER HA 1 24 LEU MD1 . . 4.230 2.265 1.917 2.849 . 0 0 "[ . 1 . 2]" 1
319 1 18 SER HA 1 24 LEU MD2 . . 4.920 4.723 4.360 4.887 . 0 0 "[ . 1 . 2]" 1
320 1 18 SER HA 1 25 GLN H . . 4.080 2.945 2.112 3.195 . 0 0 "[ . 1 . 2]" 1
321 1 18 SER HA 1 25 GLN QB . . 4.350 4.196 3.420 4.361 0.011 15 0 "[ . 1 . 2]" 1
322 1 18 SER QB 1 20 THR H . . 5.120 4.512 3.492 4.821 . 0 0 "[ . 1 . 2]" 1
323 1 18 SER QB 1 24 LEU HB2 . . 4.830 4.448 3.476 4.843 0.013 19 0 "[ . 1 . 2]" 1
324 1 18 SER QB 1 24 LEU MD1 . . 3.180 1.893 1.683 2.014 . 0 0 "[ . 1 . 2]" 1
325 1 18 SER QB 1 24 LEU MD2 . . 4.320 4.153 4.000 4.258 . 0 0 "[ . 1 . 2]" 1
326 1 18 SER QB 1 96 THR HB . . 5.340 4.366 3.691 4.638 . 0 0 "[ . 1 . 2]" 1
327 1 18 SER QB 1 96 THR MG . . 4.070 3.649 3.424 3.919 . 0 0 "[ . 1 . 2]" 1
328 1 18 SER QB 1 97 ALA H . . 3.700 3.382 2.805 3.577 . 0 0 "[ . 1 . 2]" 1
329 1 18 SER QB 1 97 ALA MB . . 3.560 3.199 2.850 3.449 . 0 0 "[ . 1 . 2]" 1
330 1 18 SER HB2 1 24 LEU MD1 . . 3.660 1.938 1.837 2.072 . 0 0 "[ . 1 . 2]" 1
331 1 18 SER HB2 1 96 THR HA . . 3.810 2.474 2.240 2.962 . 0 0 "[ . 1 . 2]" 1
332 1 18 SER HB2 1 97 ALA H . . 4.220 3.775 2.891 4.019 . 0 0 "[ . 1 . 2]" 1
333 1 18 SER HB2 1 97 ALA MB . . 4.380 4.121 3.203 4.354 . 0 0 "[ . 1 . 2]" 1
334 1 18 SER HB3 1 24 LEU MD1 . . 3.660 3.161 1.781 3.437 . 0 0 "[ . 1 . 2]" 1
335 1 18 SER HB3 1 96 THR HA . . 3.810 3.375 2.607 3.678 . 0 0 "[ . 1 . 2]" 1
336 1 18 SER HB3 1 97 ALA H . . 4.220 3.856 3.495 4.090 . 0 0 "[ . 1 . 2]" 1
337 1 18 SER HB3 1 97 ALA MB . . 4.380 3.399 2.918 4.236 . 0 0 "[ . 1 . 2]" 1
338 1 18 SER HG 1 19 GLU H . . 4.500 3.227 2.684 3.765 . 0 0 "[ . 1 . 2]" 1
339 1 18 SER HG 1 20 THR H . . 4.040 3.236 2.697 3.877 . 0 0 "[ . 1 . 2]" 1
340 1 18 SER HG 1 24 LEU MD1 . . 4.000 2.766 1.990 3.894 . 0 0 "[ . 1 . 2]" 1
341 1 18 SER HG 1 25 GLN H . . 5.500 5.122 4.757 5.529 0.029 9 0 "[ . 1 . 2]" 1
342 1 18 SER HG 1 96 THR HA . . 4.380 2.893 2.051 4.105 . 0 0 "[ . 1 . 2]" 1
343 1 18 SER HG 1 97 ALA H . . 4.030 2.491 2.254 3.140 . 0 0 "[ . 1 . 2]" 1
344 1 18 SER HG 1 97 ALA MB . . 4.340 2.709 1.983 3.256 . 0 0 "[ . 1 . 2]" 1
345 1 19 GLU H 1 19 GLU QB . . 3.540 2.680 2.498 2.790 . 0 0 "[ . 1 . 2]" 1
346 1 19 GLU H 1 19 GLU QG . . 3.830 2.386 2.155 2.557 . 0 0 "[ . 1 . 2]" 1
347 1 19 GLU H 1 20 THR H . . 3.310 2.011 1.875 2.147 . 0 0 "[ . 1 . 2]" 1
348 1 19 GLU HA 1 19 GLU QG . . 3.460 3.137 2.612 3.330 . 0 0 "[ . 1 . 2]" 1
349 1 19 GLU HA 1 97 ALA MB . . 4.510 4.064 3.837 4.508 . 0 0 "[ . 1 . 2]" 1
350 1 19 GLU QB 1 20 THR H . . 3.980 3.250 2.706 3.797 . 0 0 "[ . 1 . 2]" 1
351 1 19 GLU QB 1 20 THR MG . . 3.610 3.049 2.258 3.681 0.071 19 0 "[ . 1 . 2]" 1
352 1 19 GLU HB2 1 20 THR H . . 4.550 3.581 2.753 4.444 . 0 0 "[ . 1 . 2]" 1
353 1 19 GLU HB2 1 20 THR MG . . 4.110 3.279 2.283 4.133 0.023 19 0 "[ . 1 . 2]" 1
354 1 19 GLU HB3 1 20 THR H . . 4.550 4.019 3.781 4.247 . 0 0 "[ . 1 . 2]" 1
355 1 19 GLU HB3 1 20 THR MG . . 4.110 3.982 3.564 4.130 0.020 19 0 "[ . 1 . 2]" 1
356 1 19 GLU QG 1 20 THR H . . 4.550 3.184 2.365 3.919 . 0 0 "[ . 1 . 2]" 1
357 1 19 GLU QG 1 20 THR MG . . 3.930 2.822 1.755 3.937 0.007 15 0 "[ . 1 . 2]" 1
358 1 19 GLU QG 1 24 LEU MD1 . . 5.460 5.253 4.900 5.461 0.001 14 0 "[ . 1 . 2]" 1
359 1 20 THR H 1 20 THR MG . . 3.680 2.191 1.986 2.662 . 0 0 "[ . 1 . 2]" 1
360 1 20 THR H 1 21 PRO HD3 . . 5.140 4.761 4.549 4.860 . 0 0 "[ . 1 . 2]" 1
361 1 20 THR H 1 97 ALA MB . . 4.020 3.648 2.960 4.022 0.002 14 0 "[ . 1 . 2]" 1
362 1 20 THR HA 1 20 THR MG . . 3.300 3.160 3.125 3.200 . 0 0 "[ . 1 . 2]" 1
363 1 20 THR HA 1 21 PRO HD2 . . 3.340 2.278 2.157 2.320 . 0 0 "[ . 1 . 2]" 1
364 1 20 THR HA 1 21 PRO HD3 . . 3.150 2.266 2.255 2.275 . 0 0 "[ . 1 . 2]" 1
365 1 20 THR HA 1 21 PRO HG3 . . 4.620 4.406 4.352 4.427 . 0 0 "[ . 1 . 2]" 1
366 1 20 THR HA 1 22 ASP H . . 4.680 3.769 3.679 3.829 . 0 0 "[ . 1 . 2]" 1
367 1 20 THR HA 1 97 ALA MB . . 3.890 3.152 2.651 3.689 . 0 0 "[ . 1 . 2]" 1
368 1 20 THR HB 1 21 PRO HD2 . . 3.360 3.135 2.954 3.331 . 0 0 "[ . 1 . 2]" 1
369 1 20 THR HB 1 21 PRO HD3 . . 4.270 4.173 4.030 4.325 0.055 19 0 "[ . 1 . 2]" 1
370 1 20 THR HB 1 22 ASP H . . 4.160 3.970 3.887 4.158 . 0 0 "[ . 1 . 2]" 1
371 1 20 THR HB 1 23 SER H . . 4.700 4.638 4.471 4.720 0.020 19 0 "[ . 1 . 2]" 1
372 1 20 THR MG 1 21 PRO HD2 . . 4.000 3.956 3.855 4.184 0.184 16 0 "[ . 1 . 2]" 1
373 1 20 THR MG 1 21 PRO HD3 . . 4.840 4.733 4.659 4.831 . 0 0 "[ . 1 . 2]" 1
374 1 20 THR MG 1 22 ASP H . . 4.190 2.798 2.307 3.236 . 0 0 "[ . 1 . 2]" 1
375 1 20 THR MG 1 22 ASP QB . . 5.340 3.521 2.986 4.201 . 0 0 "[ . 1 . 2]" 1
376 1 20 THR MG 1 23 SER H . . 4.320 2.189 1.883 2.620 . 0 0 "[ . 1 . 2]" 1
377 1 20 THR MG 1 23 SER HA . . 4.400 3.821 3.545 4.061 . 0 0 "[ . 1 . 2]" 1
378 1 20 THR MG 1 23 SER HB2 . . 4.740 2.315 1.868 3.705 . 0 0 "[ . 1 . 2]" 1
379 1 20 THR MG 1 23 SER QB . . 4.090 2.184 1.857 3.175 . 0 0 "[ . 1 . 2]" 1
380 1 20 THR MG 1 23 SER HB3 . . 4.740 3.326 2.027 3.640 . 0 0 "[ . 1 . 2]" 1
381 1 21 PRO HA 1 70 ALA MB . . 4.240 3.412 3.205 3.806 . 0 0 "[ . 1 . 2]" 1
382 1 21 PRO HA 1 97 ALA MB . . 3.300 3.067 2.575 3.262 . 0 0 "[ . 1 . 2]" 1
383 1 21 PRO HB2 1 22 ASP H . . 4.280 3.994 3.885 4.171 . 0 0 "[ . 1 . 2]" 1
384 1 21 PRO HB2 1 70 ALA MB . . 3.330 2.335 1.977 2.723 . 0 0 "[ . 1 . 2]" 1
385 1 21 PRO HB2 1 97 ALA H . . 5.500 5.401 5.033 5.503 0.003 6 0 "[ . 1 . 2]" 1
386 1 21 PRO HB2 1 97 ALA MB . . 4.670 4.520 4.190 4.676 0.006 7 0 "[ . 1 . 2]" 1
387 1 21 PRO HB3 1 70 ALA H . . 5.500 5.090 4.387 5.504 0.004 5 0 "[ . 1 . 2]" 1
388 1 21 PRO HB3 1 70 ALA MB . . 3.200 2.195 1.943 2.752 . 0 0 "[ . 1 . 2]" 1
389 1 21 PRO HB3 1 97 ALA H . . 4.710 4.226 3.729 4.463 . 0 0 "[ . 1 . 2]" 1
390 1 21 PRO HB3 1 97 ALA MB . . 3.920 3.134 2.789 3.362 . 0 0 "[ . 1 . 2]" 1
391 1 21 PRO HB3 1 98 CYS H . . 5.500 5.082 4.335 5.474 . 0 0 "[ . 1 . 2]" 1
392 1 21 PRO HD2 1 22 ASP H . . 3.960 3.075 2.929 3.403 . 0 0 "[ . 1 . 2]" 1
393 1 21 PRO HD2 1 97 ALA MB . . 4.510 3.950 3.556 4.229 . 0 0 "[ . 1 . 2]" 1
394 1 21 PRO HD3 1 22 ASP H . . 4.490 4.068 3.991 4.245 . 0 0 "[ . 1 . 2]" 1
395 1 21 PRO HD3 1 97 ALA MB . . 3.870 2.582 2.124 2.927 . 0 0 "[ . 1 . 2]" 1
396 1 21 PRO HG2 1 22 ASP H . . 4.450 3.408 3.199 3.798 . 0 0 "[ . 1 . 2]" 1
397 1 21 PRO HG2 1 97 ALA MB . . 4.970 4.745 4.500 4.930 . 0 0 "[ . 1 . 2]" 1
398 1 21 PRO HG3 1 97 ALA MB . . 4.090 3.979 3.713 4.107 0.017 6 0 "[ . 1 . 2]" 1
399 1 21 PRO HG3 1 99 PRO HA . . 4.700 3.668 2.220 4.702 0.002 9 0 "[ . 1 . 2]" 1
400 1 22 ASP H 1 23 SER H . . 3.050 1.974 1.773 2.103 . 0 0 "[ . 1 . 2]" 1
401 1 22 ASP H 1 23 SER HA . . 5.020 4.697 4.540 4.797 . 0 0 "[ . 1 . 2]" 1
402 1 22 ASP HA 1 67 ASP HA . . 4.430 4.307 3.971 4.443 0.013 14 0 "[ . 1 . 2]" 1
403 1 22 ASP HA 1 68 LEU H . . 3.850 2.524 2.146 2.753 . 0 0 "[ . 1 . 2]" 1
404 1 22 ASP HA 1 68 LEU HB2 . . 4.430 3.218 2.825 3.634 . 0 0 "[ . 1 . 2]" 1
405 1 22 ASP HA 1 68 LEU HB3 . . 4.820 4.178 3.680 4.563 . 0 0 "[ . 1 . 2]" 1
406 1 22 ASP HA 1 68 LEU MD1 . . 5.500 4.981 4.726 5.320 . 0 0 "[ . 1 . 2]" 1
407 1 22 ASP QB 1 67 ASP H . . 4.130 3.648 3.293 3.912 . 0 0 "[ . 1 . 2]" 1
408 1 22 ASP QB 1 67 ASP HA . . 4.290 3.929 3.640 4.270 . 0 0 "[ . 1 . 2]" 1
409 1 22 ASP QB 1 68 LEU H . . 3.570 3.419 3.234 3.581 0.011 6 0 "[ . 1 . 2]" 1
410 1 22 ASP HB2 1 23 SER H . . 4.870 3.616 3.077 4.239 . 0 0 "[ . 1 . 2]" 1
411 1 22 ASP HB2 1 68 LEU H . . 4.350 4.183 3.335 4.394 0.044 15 0 "[ . 1 . 2]" 1
412 1 22 ASP HB3 1 23 SER H . . 4.870 4.309 3.487 4.484 . 0 0 "[ . 1 . 2]" 1
413 1 22 ASP HB3 1 68 LEU H . . 4.350 3.731 3.390 4.356 0.006 9 0 "[ . 1 . 2]" 1
414 1 23 SER H 1 23 SER QB . . 3.660 3.055 2.786 3.293 . 0 0 "[ . 1 . 2]" 1
415 1 23 SER H 1 68 LEU MD1 . . 4.570 3.846 3.337 4.136 . 0 0 "[ . 1 . 2]" 1
416 1 23 SER H 1 96 THR MG . . 4.680 4.360 4.005 4.612 . 0 0 "[ . 1 . 2]" 1
417 1 23 SER HA 1 24 LEU H . . 3.060 2.304 2.242 2.490 . 0 0 "[ . 1 . 2]" 1
418 1 23 SER HA 1 64 THR MG . . 3.960 3.712 3.401 3.962 0.002 14 0 "[ . 1 . 2]" 1
419 1 23 SER HA 1 65 LEU H . . 4.540 4.460 4.283 4.562 0.022 14 0 "[ . 1 . 2]" 1
420 1 23 SER HA 1 68 LEU H . . 4.620 3.621 3.367 3.758 . 0 0 "[ . 1 . 2]" 1
421 1 23 SER HA 1 68 LEU HB2 . . 4.130 2.590 2.412 2.804 . 0 0 "[ . 1 . 2]" 1
422 1 23 SER HA 1 68 LEU HB3 . . 4.370 4.147 3.941 4.374 0.004 17 0 "[ . 1 . 2]" 1
423 1 23 SER HA 1 68 LEU MD1 . . 3.630 2.359 2.011 2.677 . 0 0 "[ . 1 . 2]" 1
424 1 23 SER HA 1 68 LEU MD2 . . 4.890 4.484 4.222 4.740 . 0 0 "[ . 1 . 2]" 1
425 1 23 SER HA 1 68 LEU HG . . 3.790 3.104 2.737 3.505 . 0 0 "[ . 1 . 2]" 1
426 1 23 SER QB 1 24 LEU H . . 3.320 2.716 2.518 2.889 . 0 0 "[ . 1 . 2]" 1
427 1 23 SER QB 1 25 GLN QE . . 4.760 4.667 4.214 4.793 0.033 10 0 "[ . 1 . 2]" 1
428 1 23 SER QB 1 64 THR MG . . 3.010 2.081 1.789 2.733 . 0 0 "[ . 1 . 2]" 1
429 1 23 SER QB 1 65 LEU H . . 4.760 3.884 3.490 4.575 . 0 0 "[ . 1 . 2]" 1
430 1 23 SER QB 1 68 LEU MD1 . . 4.660 3.785 3.458 4.110 . 0 0 "[ . 1 . 2]" 1
431 1 23 SER HB2 1 24 LEU H . . 3.880 3.411 2.573 3.889 0.009 14 0 "[ . 1 . 2]" 1
432 1 23 SER HB2 1 64 THR MG . . 3.540 2.737 1.802 3.559 0.019 14 0 "[ . 1 . 2]" 1
433 1 23 SER HB3 1 24 LEU H . . 3.880 3.042 2.706 3.888 0.008 3 0 "[ . 1 . 2]" 1
434 1 23 SER HB3 1 64 THR MG . . 3.540 2.370 1.932 3.296 . 0 0 "[ . 1 . 2]" 1
435 1 24 LEU H 1 24 LEU HB2 . . 4.010 3.083 2.989 3.190 . 0 0 "[ . 1 . 2]" 1
436 1 24 LEU H 1 24 LEU HB3 . . 3.620 2.768 2.673 2.899 . 0 0 "[ . 1 . 2]" 1
437 1 24 LEU H 1 24 LEU MD1 . . 4.530 4.428 4.345 4.501 . 0 0 "[ . 1 . 2]" 1
438 1 24 LEU H 1 24 LEU MD2 . . 4.640 4.450 4.348 4.566 . 0 0 "[ . 1 . 2]" 1
439 1 24 LEU H 1 24 LEU HG . . 5.120 4.552 4.506 4.609 . 0 0 "[ . 1 . 2]" 1
440 1 24 LEU H 1 64 THR HA . . 4.590 4.348 4.152 4.593 0.003 2 0 "[ . 1 . 2]" 1
441 1 24 LEU H 1 64 THR MG . . 3.880 2.741 2.216 3.046 . 0 0 "[ . 1 . 2]" 1
442 1 24 LEU H 1 65 LEU H . . 3.690 2.726 2.521 2.941 . 0 0 "[ . 1 . 2]" 1
443 1 24 LEU H 1 65 LEU HB2 . . 4.830 3.176 2.951 3.416 . 0 0 "[ . 1 . 2]" 1
444 1 24 LEU H 1 65 LEU HB3 . . 5.060 4.621 4.436 4.879 . 0 0 "[ . 1 . 2]" 1
445 1 24 LEU H 1 65 LEU HG . . 5.500 4.805 4.498 5.059 . 0 0 "[ . 1 . 2]" 1
446 1 24 LEU H 1 68 LEU MD1 . . 3.540 2.071 1.877 2.420 . 0 0 "[ . 1 . 2]" 1
447 1 24 LEU H 1 96 THR MG . . 5.110 4.759 4.453 5.080 . 0 0 "[ . 1 . 2]" 1
448 1 24 LEU HB2 1 24 LEU MD2 . . 3.480 2.632 2.512 2.716 . 0 0 "[ . 1 . 2]" 1
449 1 24 LEU HB2 1 25 GLN H . . 4.700 4.335 4.174 4.462 . 0 0 "[ . 1 . 2]" 1
450 1 24 LEU HB2 1 65 LEU HB2 . . 4.740 4.399 3.940 4.719 . 0 0 "[ . 1 . 2]" 1
451 1 24 LEU HB2 1 65 LEU MD1 . . 4.820 4.589 4.147 4.816 . 0 0 "[ . 1 . 2]" 1
452 1 24 LEU HB2 1 68 LEU MD1 . . 3.290 1.895 1.810 2.067 . 0 0 "[ . 1 . 2]" 1
453 1 24 LEU HB2 1 96 THR HA . . 4.710 4.264 3.911 4.504 . 0 0 "[ . 1 . 2]" 1
454 1 24 LEU HB3 1 24 LEU MD2 . . 3.520 2.053 1.969 2.227 . 0 0 "[ . 1 . 2]" 1
455 1 24 LEU HB3 1 25 GLN H . . 4.540 4.192 4.043 4.329 . 0 0 "[ . 1 . 2]" 1
456 1 24 LEU HB3 1 26 VAL MG1 . . 5.260 4.730 4.376 4.941 . 0 0 "[ . 1 . 2]" 1
457 1 24 LEU HB3 1 65 LEU H . . 4.780 3.816 3.451 4.173 . 0 0 "[ . 1 . 2]" 1
458 1 24 LEU HB3 1 65 LEU HB2 . . 4.080 3.114 2.596 3.407 . 0 0 "[ . 1 . 2]" 1
459 1 24 LEU HB3 1 68 LEU MD1 . . 3.010 2.139 1.990 2.324 . 0 0 "[ . 1 . 2]" 1
460 1 24 LEU HB3 1 74 TYR QB . . 5.320 4.439 4.066 4.939 . 0 0 "[ . 1 . 2]" 1
461 1 24 LEU HB3 1 76 VAL QG . . 5.440 4.354 4.146 4.559 . 0 0 "[ . 1 . 2]" 1
462 1 24 LEU MD1 1 25 GLN H . . 4.050 3.446 3.182 3.652 . 0 0 "[ . 1 . 2]" 1
463 1 24 LEU MD1 1 68 LEU MD1 . . 3.390 3.227 3.087 3.395 0.005 18 0 "[ . 1 . 2]" 1
464 1 24 LEU MD1 1 74 TYR QB . . 4.760 4.293 4.104 4.621 . 0 0 "[ . 1 . 2]" 1
465 1 24 LEU MD1 1 74 TYR QD . . 4.470 4.143 3.858 4.365 . 0 0 "[ . 1 . 2]" 1
466 1 24 LEU MD1 1 95 GLN H . . 4.770 4.758 4.654 4.782 0.012 18 0 "[ . 1 . 2]" 1
467 1 24 LEU MD1 1 95 GLN HA . . 4.530 4.460 4.204 4.534 0.004 3 0 "[ . 1 . 2]" 1
468 1 24 LEU MD1 1 96 THR H . . 4.750 3.897 3.667 4.156 . 0 0 "[ . 1 . 2]" 1
469 1 24 LEU MD1 1 96 THR HA . . 3.760 2.330 2.133 2.540 . 0 0 "[ . 1 . 2]" 1
470 1 24 LEU MD1 1 96 THR MG . . 3.600 2.127 1.915 2.501 . 0 0 "[ . 1 . 2]" 1
471 1 24 LEU MD2 1 25 GLN H . . 4.960 4.457 4.132 4.725 . 0 0 "[ . 1 . 2]" 1
472 1 24 LEU MD2 1 65 LEU H . . 5.500 4.990 4.586 5.312 . 0 0 "[ . 1 . 2]" 1
473 1 24 LEU MD2 1 65 LEU MD1 . . 3.360 3.022 2.548 3.333 . 0 0 "[ . 1 . 2]" 1
474 1 24 LEU MD2 1 68 LEU MD1 . . 3.360 2.858 2.563 3.167 . 0 0 "[ . 1 . 2]" 1
475 1 24 LEU MD2 1 74 TYR QB . . 3.400 2.633 2.328 3.066 . 0 0 "[ . 1 . 2]" 1
476 1 24 LEU MD2 1 74 TYR QD . . 3.930 3.541 3.253 3.738 . 0 0 "[ . 1 . 2]" 1
477 1 24 LEU MD2 1 76 VAL HB . . 4.960 4.742 4.389 4.957 . 0 0 "[ . 1 . 2]" 1
478 1 24 LEU MD2 1 76 VAL QG . . 3.540 2.723 2.552 2.900 . 0 0 "[ . 1 . 2]" 1
479 1 24 LEU MD2 1 94 GLY H . . 4.270 3.640 3.350 3.969 . 0 0 "[ . 1 . 2]" 1
480 1 24 LEU MD2 1 94 GLY HA2 . . 4.450 4.336 3.854 4.458 0.008 9 0 "[ . 1 . 2]" 1
481 1 24 LEU MD2 1 94 GLY HA3 . . 4.610 2.908 2.344 3.108 . 0 0 "[ . 1 . 2]" 1
482 1 24 LEU MD2 1 96 THR H . . 5.060 4.944 4.750 5.061 0.001 15 0 "[ . 1 . 2]" 1
483 1 24 LEU MD2 1 96 THR HA . . 4.350 4.287 4.111 4.355 0.005 10 0 "[ . 1 . 2]" 1
484 1 24 LEU MD2 1 96 THR MG . . 3.630 3.122 2.830 3.371 . 0 0 "[ . 1 . 2]" 1
485 1 24 LEU HG 1 25 GLN H . . 4.540 2.939 2.516 3.287 . 0 0 "[ . 1 . 2]" 1
486 1 24 LEU HG 1 68 LEU MD1 . . 4.280 4.086 3.957 4.270 . 0 0 "[ . 1 . 2]" 1
487 1 25 GLN H 1 25 GLN QB . . 3.330 2.223 2.180 2.302 . 0 0 "[ . 1 . 2]" 1
488 1 25 GLN H 1 25 GLN QG . . 4.090 4.025 3.932 4.101 0.011 18 0 "[ . 1 . 2]" 1
489 1 25 GLN H 1 26 VAL H . . 4.710 4.589 4.536 4.624 . 0 0 "[ . 1 . 2]" 1
490 1 25 GLN QB 1 26 VAL H . . 3.830 3.483 3.353 3.588 . 0 0 "[ . 1 . 2]" 1
491 1 25 GLN QB 1 26 VAL MG1 . . 4.930 4.798 4.676 4.891 . 0 0 "[ . 1 . 2]" 1
492 1 25 GLN QB 1 64 THR MG . . 3.950 3.438 3.037 3.789 . 0 0 "[ . 1 . 2]" 1
493 1 25 GLN QE 1 25 GLN QG . . 3.090 2.482 2.380 2.552 . 0 0 "[ . 1 . 2]" 1
494 1 25 GLN QE 1 64 THR MG . . 3.560 2.607 1.792 2.985 . 0 0 "[ . 1 . 2]" 1
495 1 25 GLN HE21 1 64 THR MG . . 4.080 2.942 1.880 3.723 . 0 0 "[ . 1 . 2]" 1
496 1 25 GLN HE22 1 25 GLN QG . . 3.760 3.406 3.368 3.432 . 0 0 "[ . 1 . 2]" 1
497 1 25 GLN HE22 1 64 THR MG . . 4.080 3.284 2.260 4.088 0.008 15 0 "[ . 1 . 2]" 1
498 1 25 GLN QG 1 26 VAL H . . 3.800 2.476 2.227 2.693 . 0 0 "[ . 1 . 2]" 1
499 1 25 GLN QG 1 26 VAL MG1 . . 4.600 4.190 4.036 4.331 . 0 0 "[ . 1 . 2]" 1
500 1 25 GLN QG 1 27 SER QB . . 4.830 4.187 3.906 4.832 0.002 3 0 "[ . 1 . 2]" 1
501 1 25 GLN QG 1 62 HIS QB . . 4.210 3.832 3.575 4.213 0.003 6 0 "[ . 1 . 2]" 1
502 1 25 GLN QG 1 63 VAL H . . 4.420 4.313 3.825 4.433 0.013 6 0 "[ . 1 . 2]" 1
503 1 25 GLN QG 1 64 THR HA . . 4.920 4.040 3.296 4.601 . 0 0 "[ . 1 . 2]" 1
504 1 25 GLN QG 1 64 THR MG . . 4.340 3.835 3.314 4.236 . 0 0 "[ . 1 . 2]" 1
505 1 26 VAL H 1 26 VAL HB . . 3.500 3.426 3.347 3.508 0.008 17 0 "[ . 1 . 2]" 1
506 1 26 VAL H 1 26 VAL MG1 . . 3.240 2.263 2.075 2.389 . 0 0 "[ . 1 . 2]" 1
507 1 26 VAL H 1 26 VAL MG2 . . 4.170 3.893 3.798 3.932 . 0 0 "[ . 1 . 2]" 1
508 1 26 VAL H 1 62 HIS QB . . 4.900 4.059 3.829 4.729 . 0 0 "[ . 1 . 2]" 1
509 1 26 VAL H 1 63 VAL H . . 3.660 3.233 2.907 3.424 . 0 0 "[ . 1 . 2]" 1
510 1 26 VAL H 1 64 THR HA . . 3.670 3.427 2.944 3.677 0.007 13 0 "[ . 1 . 2]" 1
511 1 26 VAL H 1 64 THR MG . . 4.630 4.453 3.802 4.642 0.012 5 0 "[ . 1 . 2]" 1
512 1 26 VAL HB 1 28 TRP HE3 . . 5.500 5.200 4.878 5.398 . 0 0 "[ . 1 . 2]" 1
513 1 26 VAL HB 1 28 TRP HZ3 . . 4.720 4.483 4.193 4.713 . 0 0 "[ . 1 . 2]" 1
514 1 26 VAL HB 1 63 VAL H . . 5.370 5.333 5.145 5.403 0.033 6 0 "[ . 1 . 2]" 1
515 1 26 VAL HB 1 65 LEU MD1 . . 4.800 3.791 3.474 4.180 . 0 0 "[ . 1 . 2]" 1
516 1 26 VAL HB 1 76 VAL QG . . 4.360 2.890 2.664 3.171 . 0 0 "[ . 1 . 2]" 1
517 1 26 VAL MG1 1 27 SER H . . 4.330 4.066 3.918 4.202 . 0 0 "[ . 1 . 2]" 1
518 1 26 VAL MG1 1 28 TRP HE3 . . 4.260 3.842 3.605 4.161 . 0 0 "[ . 1 . 2]" 1
519 1 26 VAL MG1 1 28 TRP HZ3 . . 3.120 2.255 1.986 2.708 . 0 0 "[ . 1 . 2]" 1
520 1 26 VAL MG1 1 62 HIS QB . . 5.100 4.224 3.855 4.910 . 0 0 "[ . 1 . 2]" 1
521 1 26 VAL MG1 1 63 VAL H . . 3.540 2.614 2.249 2.801 . 0 0 "[ . 1 . 2]" 1
522 1 26 VAL MG1 1 65 LEU H . . 4.200 3.823 3.275 4.174 . 0 0 "[ . 1 . 2]" 1
523 1 26 VAL MG1 1 65 LEU HB3 . . 5.500 5.353 5.193 5.502 0.002 4 0 "[ . 1 . 2]" 1
524 1 26 VAL MG1 1 65 LEU MD1 . . 3.370 2.773 2.380 3.043 . 0 0 "[ . 1 . 2]" 1
525 1 26 VAL MG1 1 65 LEU HG . . 3.340 2.915 2.647 3.122 . 0 0 "[ . 1 . 2]" 1
526 1 26 VAL MG1 1 78 VAL QG . . 4.470 3.775 3.404 4.042 . 0 0 "[ . 1 . 2]" 1
527 1 26 VAL MG2 1 27 SER H . . 3.230 2.510 2.124 2.956 . 0 0 "[ . 1 . 2]" 1
528 1 26 VAL MG2 1 28 TRP H . . 4.980 4.853 4.214 4.989 0.009 16 0 "[ . 1 . 2]" 1
529 1 26 VAL MG2 1 28 TRP HB3 . . 4.590 4.020 3.679 4.161 . 0 0 "[ . 1 . 2]" 1
530 1 26 VAL MG2 1 28 TRP HE3 . . 3.030 2.242 1.944 2.455 . 0 0 "[ . 1 . 2]" 1
531 1 26 VAL MG2 1 28 TRP HZ3 . . 3.090 2.225 1.930 2.653 . 0 0 "[ . 1 . 2]" 1
532 1 26 VAL MG2 1 63 VAL H . . 4.490 4.230 3.863 4.494 0.004 15 0 "[ . 1 . 2]" 1
533 1 26 VAL MG2 1 65 LEU MD1 . . 4.820 4.083 3.855 4.328 . 0 0 "[ . 1 . 2]" 1
534 1 26 VAL MG2 1 76 VAL HB . . 4.510 3.398 3.057 3.709 . 0 0 "[ . 1 . 2]" 1
535 1 26 VAL MG2 1 78 VAL QG . . 3.400 3.005 2.827 3.192 . 0 0 "[ . 1 . 2]" 1
536 1 27 SER H 1 27 SER HB2 . . 4.120 3.398 2.700 3.887 . 0 0 "[ . 1 . 2]" 1
537 1 27 SER H 1 27 SER HB3 . . 4.120 3.165 2.736 3.880 . 0 0 "[ . 1 . 2]" 1
538 1 27 SER H 1 28 TRP H . . 4.540 4.433 4.385 4.468 . 0 0 "[ . 1 . 2]" 1
539 1 27 SER H 1 28 TRP HE3 . . 4.420 3.864 3.598 4.008 . 0 0 "[ . 1 . 2]" 1
540 1 27 SER H 1 28 TRP HZ3 . . 5.060 4.853 4.489 5.051 . 0 0 "[ . 1 . 2]" 1
541 1 27 SER H 1 62 HIS QB . . 5.500 4.411 4.175 4.739 . 0 0 "[ . 1 . 2]" 1
542 1 27 SER QB 1 28 TRP H . . 3.010 2.521 2.025 3.015 0.005 2 0 "[ . 1 . 2]" 1
543 1 27 SER QB 1 62 HIS HA . . 4.170 3.804 3.319 4.171 0.001 8 0 "[ . 1 . 2]" 1
544 1 27 SER QB 1 62 HIS QB . . 3.360 2.388 2.035 2.805 . 0 0 "[ . 1 . 2]" 1
545 1 27 SER HB2 1 62 HIS HA . . 4.820 4.360 3.637 4.824 0.004 16 0 "[ . 1 . 2]" 1
546 1 27 SER HB2 1 62 HIS QB . . 3.860 2.850 2.050 3.882 0.022 6 0 "[ . 1 . 2]" 1
547 1 27 SER HB3 1 62 HIS HA . . 4.820 4.417 3.401 4.835 0.015 15 0 "[ . 1 . 2]" 1
548 1 27 SER HB3 1 62 HIS QB . . 3.860 2.914 2.155 3.832 . 0 0 "[ . 1 . 2]" 1
549 1 28 TRP H 1 28 TRP HB3 . . 3.930 3.561 3.282 3.642 . 0 0 "[ . 1 . 2]" 1
550 1 28 TRP H 1 28 TRP HE3 . . 4.070 3.861 3.064 4.071 0.001 1 0 "[ . 1 . 2]" 1
551 1 28 TRP H 1 29 THR H . . 4.630 4.366 4.341 4.431 . 0 0 "[ . 1 . 2]" 1
552 1 28 TRP H 1 62 HIS HA . . 4.260 3.928 3.412 4.268 0.008 11 0 "[ . 1 . 2]" 1
553 1 28 TRP H 1 62 HIS QB . . 4.000 3.507 3.088 4.037 0.037 6 0 "[ . 1 . 2]" 1
554 1 28 TRP HA 1 28 TRP HE3 . . 4.900 4.269 4.159 4.394 . 0 0 "[ . 1 . 2]" 1
555 1 28 TRP HA 1 29 THR H . . 3.130 2.498 2.392 2.617 . 0 0 "[ . 1 . 2]" 1
556 1 28 TRP HA 1 29 THR HB . . 4.890 4.747 4.564 4.862 . 0 0 "[ . 1 . 2]" 1
557 1 28 TRP HB2 1 29 THR H . . 3.270 2.230 1.997 2.465 . 0 0 "[ . 1 . 2]" 1
558 1 28 TRP HB2 1 29 THR HB . . 5.310 4.515 4.403 4.631 . 0 0 "[ . 1 . 2]" 1
559 1 28 TRP HB2 1 29 THR MG . . 5.500 5.379 5.279 5.478 . 0 0 "[ . 1 . 2]" 1
560 1 28 TRP HB2 1 30 PRO HD3 . . 5.500 5.254 4.967 5.474 . 0 0 "[ . 1 . 2]" 1
561 1 28 TRP HB3 1 28 TRP HE3 . . 3.810 2.510 2.472 2.594 . 0 0 "[ . 1 . 2]" 1
562 1 28 TRP HB3 1 29 THR H . . 3.830 3.604 3.458 3.771 . 0 0 "[ . 1 . 2]" 1
563 1 28 TRP HD1 1 29 THR H . . 4.550 3.516 3.310 3.652 . 0 0 "[ . 1 . 2]" 1
564 1 28 TRP HD1 1 29 THR MG . . 5.500 5.032 4.915 5.137 . 0 0 "[ . 1 . 2]" 1
565 1 28 TRP HD1 1 30 PRO HB3 . . 4.540 3.983 3.658 4.257 . 0 0 "[ . 1 . 2]" 1
566 1 28 TRP HD1 1 30 PRO HD3 . . 4.190 3.536 3.235 3.767 . 0 0 "[ . 1 . 2]" 1
567 1 28 TRP HD1 1 30 PRO HG3 . . 5.490 5.203 4.853 5.478 . 0 0 "[ . 1 . 2]" 1
568 1 28 TRP HD1 1 31 PRO HD2 . . 5.270 4.845 4.674 5.065 . 0 0 "[ . 1 . 2]" 1
569 1 28 TRP HD1 1 31 PRO HD3 . . 4.790 4.435 4.227 4.642 . 0 0 "[ . 1 . 2]" 1
570 1 28 TRP HD1 1 61 SER HA . . 4.460 4.216 4.004 4.461 0.001 2 0 "[ . 1 . 2]" 1
571 1 28 TRP HD1 1 61 SER HB2 . . 4.690 3.294 2.568 4.643 . 0 0 "[ . 1 . 2]" 1
572 1 28 TRP HD1 1 61 SER HB3 . . 4.690 4.028 2.803 4.692 0.002 18 0 "[ . 1 . 2]" 1
573 1 28 TRP HE1 1 61 SER H . . 5.500 5.427 5.242 5.507 0.007 12 0 "[ . 1 . 2]" 1
574 1 28 TRP HE1 1 61 SER HA . . 3.560 2.564 2.438 2.670 . 0 0 "[ . 1 . 2]" 1
575 1 28 TRP HE1 1 61 SER QB . . 4.480 3.091 2.495 3.970 . 0 0 "[ . 1 . 2]" 1
576 1 28 TRP HE3 1 40 LEU MD1 . . 4.450 4.164 3.631 4.450 . 9 0 "[ . 1 . 2]" 1
577 1 28 TRP HE3 1 78 VAL MG1 . . 4.940 4.109 3.714 4.408 . 0 0 "[ . 1 . 2]" 1
578 1 28 TRP HE3 1 78 VAL QG . . 3.850 3.072 2.677 3.324 . 0 0 "[ . 1 . 2]" 1
579 1 28 TRP HE3 1 78 VAL MG2 . . 4.940 3.175 2.735 3.478 . 0 0 "[ . 1 . 2]" 1
580 1 28 TRP HH2 1 40 LEU MD1 . . 3.820 2.046 1.815 2.483 . 0 0 "[ . 1 . 2]" 1
581 1 28 TRP HH2 1 56 VAL HB . . 4.880 4.180 3.859 4.882 0.002 18 0 "[ . 1 . 2]" 1
582 1 28 TRP HH2 1 56 VAL MG1 . . 3.740 3.235 2.871 3.507 . 0 0 "[ . 1 . 2]" 1
583 1 28 TRP HH2 1 56 VAL MG2 . . 3.200 2.815 2.504 3.018 . 0 0 "[ . 1 . 2]" 1
584 1 28 TRP HH2 1 63 VAL H . . 4.790 4.053 3.463 4.489 . 0 0 "[ . 1 . 2]" 1
585 1 28 TRP HH2 1 63 VAL HB . . 3.960 3.285 2.788 3.728 . 0 0 "[ . 1 . 2]" 1
586 1 28 TRP HH2 1 63 VAL MG1 . . 3.510 2.397 2.076 2.758 . 0 0 "[ . 1 . 2]" 1
587 1 28 TRP HH2 1 78 VAL QG . . 4.650 3.256 2.811 3.683 . 0 0 "[ . 1 . 2]" 1
588 1 28 TRP HZ2 1 38 TYR HB2 . . 4.630 2.977 2.526 3.308 . 0 0 "[ . 1 . 2]" 1
589 1 28 TRP HZ2 1 38 TYR HB3 . . 4.700 3.025 2.635 3.330 . 0 0 "[ . 1 . 2]" 1
590 1 28 TRP HZ2 1 38 TYR QD . . 4.360 3.112 2.257 3.804 . 0 0 "[ . 1 . 2]" 1
591 1 28 TRP HZ2 1 40 LEU MD1 . . 4.810 3.833 3.399 4.095 . 0 0 "[ . 1 . 2]" 1
592 1 28 TRP HZ2 1 56 VAL HB . . 4.350 3.750 3.435 4.270 . 0 0 "[ . 1 . 2]" 1
593 1 28 TRP HZ2 1 56 VAL MG1 . . 3.030 2.680 2.405 3.011 . 0 0 "[ . 1 . 2]" 1
594 1 28 TRP HZ2 1 56 VAL MG2 . . 4.120 3.724 3.353 4.115 . 0 0 "[ . 1 . 2]" 1
595 1 28 TRP HZ2 1 61 SER HA . . 3.610 3.270 2.593 3.607 . 0 0 "[ . 1 . 2]" 1
596 1 28 TRP HZ2 1 63 VAL HB . . 5.090 4.684 4.252 5.090 0.000 9 0 "[ . 1 . 2]" 1
597 1 28 TRP HZ2 1 63 VAL MG1 . . 4.720 4.404 4.103 4.632 . 0 0 "[ . 1 . 2]" 1
598 1 28 TRP HZ2 1 78 VAL QG . . 4.500 3.332 2.983 3.539 . 0 0 "[ . 1 . 2]" 1
599 1 28 TRP HZ3 1 40 LEU MD1 . . 3.640 2.331 1.945 2.602 . 0 0 "[ . 1 . 2]" 1
600 1 28 TRP HZ3 1 63 VAL H . . 4.360 3.730 2.816 4.173 . 0 0 "[ . 1 . 2]" 1
601 1 28 TRP HZ3 1 63 VAL HB . . 5.410 4.775 4.204 5.165 . 0 0 "[ . 1 . 2]" 1
602 1 28 TRP HZ3 1 76 VAL QG . . 4.790 3.633 3.380 4.187 . 0 0 "[ . 1 . 2]" 1
603 1 28 TRP HZ3 1 78 VAL QG . . 3.730 2.938 2.554 3.448 . 0 0 "[ . 1 . 2]" 1
604 1 29 THR H 1 29 THR HB . . 3.220 2.471 2.406 2.541 . 0 0 "[ . 1 . 2]" 1
605 1 29 THR H 1 29 THR MG . . 3.860 3.772 3.699 3.804 . 0 0 "[ . 1 . 2]" 1
606 1 29 THR MG 1 30 PRO HD2 . . 3.330 2.547 2.251 2.756 . 0 0 "[ . 1 . 2]" 1
607 1 29 THR MG 1 30 PRO HD3 . . 4.100 3.805 3.626 3.998 . 0 0 "[ . 1 . 2]" 1
608 1 29 THR MG 1 30 PRO HG2 . . 4.480 3.706 3.437 3.979 . 0 0 "[ . 1 . 2]" 1
609 1 29 THR MG 1 30 PRO HG3 . . 5.060 4.695 4.462 4.947 . 0 0 "[ . 1 . 2]" 1
610 1 30 PRO HB2 1 31 PRO HD2 . . 3.670 3.085 2.932 3.313 . 0 0 "[ . 1 . 2]" 1
611 1 30 PRO HB2 1 31 PRO HD3 . . 4.540 4.304 4.194 4.463 . 0 0 "[ . 1 . 2]" 1
612 1 30 PRO HB3 1 31 PRO HD2 . . 4.040 3.303 3.203 3.457 . 0 0 "[ . 1 . 2]" 1
613 1 30 PRO HB3 1 31 PRO HD3 . . 4.480 4.347 4.261 4.475 . 0 0 "[ . 1 . 2]" 1
614 1 30 PRO HB3 1 35 VAL QG . . 5.110 4.479 4.132 4.861 . 0 0 "[ . 1 . 2]" 1
615 1 30 PRO HD2 1 61 SER QB . . 4.510 3.608 3.323 4.013 . 0 0 "[ . 1 . 2]" 1
616 1 30 PRO HD3 1 61 SER HB2 . . 4.130 2.328 1.998 2.857 . 0 0 "[ . 1 . 2]" 1
617 1 30 PRO HD3 1 61 SER HB3 . . 4.130 2.522 2.239 3.029 . 0 0 "[ . 1 . 2]" 1
618 1 30 PRO HG2 1 61 SER QB . . 4.280 3.900 3.512 4.286 0.006 20 0 "[ . 1 . 2]" 1
619 1 30 PRO HG3 1 61 SER HA . . 5.140 4.796 4.369 5.139 . 0 0 "[ . 1 . 2]" 1
620 1 30 PRO HG3 1 61 SER HB2 . . 4.100 3.376 2.562 3.943 . 0 0 "[ . 1 . 2]" 1
621 1 30 PRO HG3 1 61 SER QB . . 3.520 2.444 1.977 3.017 . 0 0 "[ . 1 . 2]" 1
622 1 30 PRO HG3 1 61 SER HB3 . . 4.100 2.696 1.998 4.097 . 0 0 "[ . 1 . 2]" 1
623 1 31 PRO QB 1 32 LEU H . . 2.970 2.051 1.889 2.415 . 0 0 "[ . 1 . 2]" 1
624 1 31 PRO QB 1 32 LEU HA . . 4.860 4.239 4.175 4.430 . 0 0 "[ . 1 . 2]" 1
625 1 31 PRO QB 1 32 LEU QB . . 4.380 4.075 3.713 4.388 0.008 11 0 "[ . 1 . 2]" 1
626 1 31 PRO QB 1 32 LEU QD . . 5.360 4.048 2.971 4.954 . 0 0 "[ . 1 . 2]" 1
627 1 31 PRO QB 1 33 GLY H . . 3.870 2.595 2.303 2.862 . 0 0 "[ . 1 . 2]" 1
628 1 31 PRO QB 1 35 VAL QG . . 4.350 3.937 3.566 4.344 . 0 0 "[ . 1 . 2]" 1
629 1 31 PRO QB 1 82 TYR QE . . 4.860 3.894 3.585 4.153 . 0 0 "[ . 1 . 2]" 1
630 1 31 PRO HD2 1 35 VAL MG1 . . 4.730 3.706 2.833 4.572 . 0 0 "[ . 1 . 2]" 1
631 1 31 PRO HD2 1 35 VAL QG . . 3.440 2.864 2.567 2.995 . 0 0 "[ . 1 . 2]" 1
632 1 31 PRO HD2 1 35 VAL MG2 . . 4.730 3.600 2.583 4.729 . 0 0 "[ . 1 . 2]" 1
633 1 31 PRO HD2 1 80 ALA MB . . 4.320 3.895 3.606 4.244 . 0 0 "[ . 1 . 2]" 1
634 1 31 PRO HD3 1 35 VAL QG . . 4.380 3.908 3.360 4.160 . 0 0 "[ . 1 . 2]" 1
635 1 31 PRO HG2 1 33 GLY H . . 5.130 3.971 3.436 4.322 . 0 0 "[ . 1 . 2]" 1
636 1 31 PRO HG2 1 35 VAL H . . 5.260 4.906 4.550 5.184 . 0 0 "[ . 1 . 2]" 1
637 1 31 PRO HG2 1 35 VAL HB . . 4.690 3.911 3.124 4.572 . 0 0 "[ . 1 . 2]" 1
638 1 31 PRO HG2 1 35 VAL MG1 . . 4.830 3.615 2.556 4.723 . 0 0 "[ . 1 . 2]" 1
639 1 31 PRO HG2 1 35 VAL QG . . 3.560 2.436 2.015 2.780 . 0 0 "[ . 1 . 2]" 1
640 1 31 PRO HG2 1 35 VAL MG2 . . 4.830 3.251 2.018 4.617 . 0 0 "[ . 1 . 2]" 1
641 1 31 PRO HG2 1 80 ALA MB . . 4.010 3.752 3.357 4.015 0.005 17 0 "[ . 1 . 2]" 1
642 1 31 PRO HG2 1 82 TYR QE . . 4.580 3.363 3.130 3.610 . 0 0 "[ . 1 . 2]" 1
643 1 31 PRO HG3 1 33 GLY H . . 5.230 4.918 4.476 5.215 . 0 0 "[ . 1 . 2]" 1
644 1 31 PRO HG3 1 35 VAL HB . . 5.500 4.668 3.861 5.501 0.001 9 0 "[ . 1 . 2]" 1
645 1 31 PRO HG3 1 35 VAL MG1 . . 4.880 4.207 3.570 4.881 0.001 1 0 "[ . 1 . 2]" 1
646 1 31 PRO HG3 1 35 VAL QG . . 3.680 3.187 2.556 3.681 0.001 15 0 "[ . 1 . 2]" 1
647 1 31 PRO HG3 1 35 VAL MG2 . . 4.880 3.622 2.573 4.569 . 0 0 "[ . 1 . 2]" 1
648 1 31 PRO HG3 1 80 ALA MB . . 4.100 2.913 2.545 3.193 . 0 0 "[ . 1 . 2]" 1
649 1 31 PRO HG3 1 82 TYR QE . . 4.600 3.721 3.493 3.911 . 0 0 "[ . 1 . 2]" 1
650 1 32 LEU H 1 32 LEU HB2 . . 3.880 3.206 2.498 3.712 . 0 0 "[ . 1 . 2]" 1
651 1 32 LEU H 1 32 LEU QB . . 3.130 2.461 2.220 2.803 . 0 0 "[ . 1 . 2]" 1
652 1 32 LEU H 1 32 LEU HB3 . . 3.880 2.596 2.287 2.909 . 0 0 "[ . 1 . 2]" 1
653 1 32 LEU H 1 32 LEU MD1 . . 4.410 4.067 3.433 4.378 . 0 0 "[ . 1 . 2]" 1
654 1 32 LEU H 1 32 LEU QD . . 3.820 2.963 1.852 3.805 . 0 0 "[ . 1 . 2]" 1
655 1 32 LEU H 1 32 LEU MD2 . . 4.410 3.205 1.854 4.260 . 0 0 "[ . 1 . 2]" 1
656 1 32 LEU HA 1 32 LEU MD1 . . 3.980 3.330 2.081 4.017 0.037 19 0 "[ . 1 . 2]" 1
657 1 32 LEU HA 1 32 LEU QD . . 3.340 2.911 2.004 3.391 0.051 1 0 "[ . 1 . 2]" 1
658 1 32 LEU HA 1 32 LEU MD2 . . 3.980 3.564 2.052 4.011 0.031 15 0 "[ . 1 . 2]" 1
659 1 32 LEU HA 1 32 LEU HG . . 3.720 3.327 2.400 3.743 0.023 7 0 "[ . 1 . 2]" 1
660 1 32 LEU QB 1 32 LEU QD . . 2.530 1.834 1.778 1.989 . 0 0 "[ . 1 . 2]" 1
661 1 32 LEU QB 1 33 GLY H . . 3.590 3.003 2.334 3.582 . 0 0 "[ . 1 . 2]" 1
662 1 32 LEU QB 1 33 GLY HA2 . . 4.610 4.281 3.861 4.584 . 0 0 "[ . 1 . 2]" 1
663 1 32 LEU HB2 1 32 LEU MD1 . . 3.530 2.228 1.995 3.183 . 0 0 "[ . 1 . 2]" 1
664 1 32 LEU HB2 1 32 LEU MD2 . . 3.530 2.836 2.260 3.158 . 0 0 "[ . 1 . 2]" 1
665 1 32 LEU HB2 1 33 GLY H . . 4.170 3.892 3.596 4.113 . 0 0 "[ . 1 . 2]" 1
666 1 32 LEU HB3 1 32 LEU MD1 . . 3.530 2.800 2.259 3.194 . 0 0 "[ . 1 . 2]" 1
667 1 32 LEU HB3 1 32 LEU MD2 . . 3.530 2.204 1.964 3.186 . 0 0 "[ . 1 . 2]" 1
668 1 32 LEU HB3 1 33 GLY H . . 4.170 3.226 2.364 3.951 . 0 0 "[ . 1 . 2]" 1
669 1 32 LEU QD 1 33 GLY H . . 3.810 2.939 2.299 3.803 . 0 0 "[ . 1 . 2]" 1
670 1 32 LEU QD 1 33 GLY HA3 . . 5.170 3.938 3.019 4.892 . 0 0 "[ . 1 . 2]" 1
671 1 32 LEU MD1 1 33 GLY H . . 4.840 3.948 2.319 4.789 . 0 0 "[ . 1 . 2]" 1
672 1 32 LEU MD2 1 33 GLY H . . 4.840 3.382 2.436 4.620 . 0 0 "[ . 1 . 2]" 1
673 1 32 LEU HG 1 33 GLY H . . 5.410 3.276 2.095 4.835 . 0 0 "[ . 1 . 2]" 1
674 1 32 LEU HG 1 33 GLY HA2 . . 5.500 3.941 2.996 5.502 0.002 7 0 "[ . 1 . 2]" 1
675 1 33 GLY H 1 34 ARG H . . 4.900 4.623 4.543 4.647 . 0 0 "[ . 1 . 2]" 1
676 1 33 GLY H 1 35 VAL QG . . 5.260 4.795 4.198 5.264 0.004 17 0 "[ . 1 . 2]" 1
677 1 33 GLY H 1 82 TYR QE . . 4.620 4.123 3.815 4.462 . 0 0 "[ . 1 . 2]" 1
678 1 33 GLY HA2 1 34 ARG QB . . 5.340 4.123 4.081 4.158 . 0 0 "[ . 1 . 2]" 1
679 1 33 GLY HA2 1 82 TYR QE . . 4.810 4.467 4.189 4.815 0.005 12 0 "[ . 1 . 2]" 1
680 1 33 GLY HA3 1 34 ARG QB . . 5.340 4.732 4.619 4.994 . 0 0 "[ . 1 . 2]" 1
681 1 33 GLY HA3 1 82 TYR QE . . 3.890 3.028 2.702 3.607 . 0 0 "[ . 1 . 2]" 1
682 1 34 ARG H 1 34 ARG HB2 . . 4.060 2.636 2.268 3.460 . 0 0 "[ . 1 . 2]" 1
683 1 34 ARG H 1 34 ARG QB . . 3.340 2.224 2.118 2.289 . 0 0 "[ . 1 . 2]" 1
684 1 34 ARG H 1 34 ARG HB3 . . 4.060 2.496 2.138 2.808 . 0 0 "[ . 1 . 2]" 1
685 1 34 ARG H 1 34 ARG QD . . 4.820 4.157 2.341 4.695 . 0 0 "[ . 1 . 2]" 1
686 1 34 ARG H 1 34 ARG HG2 . . 4.720 4.411 4.014 4.601 . 0 0 "[ . 1 . 2]" 1
687 1 34 ARG H 1 34 ARG HG3 . . 4.720 4.445 4.135 4.666 . 0 0 "[ . 1 . 2]" 1
688 1 34 ARG H 1 35 VAL H . . 4.840 4.381 4.131 4.648 . 0 0 "[ . 1 . 2]" 1
689 1 34 ARG H 1 82 TYR QE . . 4.800 4.370 3.788 4.766 . 0 0 "[ . 1 . 2]" 1
690 1 34 ARG HA 1 34 ARG QD . . 3.690 2.986 2.024 3.694 0.004 12 0 "[ . 1 . 2]" 1
691 1 34 ARG HA 1 34 ARG HG2 . . 3.960 2.989 2.235 3.890 . 0 0 "[ . 1 . 2]" 1
692 1 34 ARG HA 1 34 ARG QG . . 3.270 2.661 2.210 3.333 0.063 17 0 "[ . 1 . 2]" 1
693 1 34 ARG HA 1 34 ARG HG3 . . 3.960 3.471 3.095 4.188 0.228 17 0 "[ . 1 . 2]" 1
694 1 34 ARG HA 1 35 VAL H . . 2.720 2.176 2.142 2.324 . 0 0 "[ . 1 . 2]" 1
695 1 34 ARG HA 1 35 VAL HA . . 4.720 4.413 4.392 4.465 . 0 0 "[ . 1 . 2]" 1
696 1 34 ARG HA 1 35 VAL HB . . 5.010 4.771 4.488 5.022 0.012 18 0 "[ . 1 . 2]" 1
697 1 34 ARG HA 1 35 VAL QG . . 3.940 3.631 3.333 3.848 . 0 0 "[ . 1 . 2]" 1
698 1 34 ARG QB 1 34 ARG QD . . 3.180 2.301 2.092 2.707 . 0 0 "[ . 1 . 2]" 1
699 1 34 ARG HB2 1 34 ARG QD . . 3.870 3.012 2.162 3.499 . 0 0 "[ . 1 . 2]" 1
700 1 34 ARG HB2 1 35 VAL H . . 4.640 4.290 2.840 4.597 . 0 0 "[ . 1 . 2]" 1
701 1 34 ARG HB3 1 34 ARG QD . . 3.870 2.668 2.119 3.512 . 0 0 "[ . 1 . 2]" 1
702 1 34 ARG HB3 1 35 VAL H . . 4.640 4.353 4.100 4.529 . 0 0 "[ . 1 . 2]" 1
703 1 34 ARG QD 1 35 VAL H . . 4.290 3.316 2.630 4.361 0.071 17 0 "[ . 1 . 2]" 1
704 1 34 ARG QD 1 35 VAL HA . . 4.730 3.923 3.133 4.730 0.000 15 0 "[ . 1 . 2]" 1
705 1 34 ARG QD 1 36 LEU QD . . 4.050 3.149 2.276 4.060 0.010 4 0 "[ . 1 . 2]" 1
706 1 34 ARG QG 1 35 VAL H . . 3.720 3.368 2.834 3.719 . 0 0 "[ . 1 . 2]" 1
707 1 34 ARG QG 1 35 VAL HA . . 5.060 4.372 3.301 5.076 0.016 7 0 "[ . 1 . 2]" 1
708 1 35 VAL H 1 35 VAL HB . . 3.360 2.829 2.470 3.374 0.014 17 0 "[ . 1 . 2]" 1
709 1 35 VAL H 1 35 VAL MG1 . . 3.860 2.852 1.854 3.876 0.016 12 0 "[ . 1 . 2]" 1
710 1 35 VAL H 1 35 VAL QG . . 3.010 2.277 1.850 2.781 . 0 0 "[ . 1 . 2]" 1
711 1 35 VAL H 1 35 VAL MG2 . . 3.860 3.230 2.485 3.795 . 0 0 "[ . 1 . 2]" 1
712 1 35 VAL H 1 82 TYR QD . . 5.470 4.545 3.794 5.016 . 0 0 "[ . 1 . 2]" 1
713 1 35 VAL H 1 82 TYR QE . . 4.660 4.172 3.185 4.653 . 0 0 "[ . 1 . 2]" 1
714 1 35 VAL HA 1 35 VAL MG1 . . 3.250 2.797 2.330 3.183 . 0 0 "[ . 1 . 2]" 1
715 1 35 VAL HA 1 35 VAL QG . . 2.840 2.257 2.054 2.435 . 0 0 "[ . 1 . 2]" 1
716 1 35 VAL HA 1 35 VAL MG2 . . 3.250 2.415 2.231 2.533 . 0 0 "[ . 1 . 2]" 1
717 1 35 VAL HA 1 36 LEU H . . 3.040 2.153 2.141 2.203 . 0 0 "[ . 1 . 2]" 1
718 1 35 VAL HA 1 36 LEU HA . . 4.530 4.396 4.352 4.482 . 0 0 "[ . 1 . 2]" 1
719 1 35 VAL HA 1 36 LEU QB . . 4.680 4.464 4.394 4.521 . 0 0 "[ . 1 . 2]" 1
720 1 35 VAL HA 1 36 LEU QD . . 4.440 4.200 3.782 4.379 . 0 0 "[ . 1 . 2]" 1
721 1 35 VAL HA 1 36 LEU HG . . 5.350 3.806 3.725 3.929 . 0 0 "[ . 1 . 2]" 1
722 1 35 VAL HA 1 37 HIS H . . 4.530 4.425 4.103 4.538 0.008 2 0 "[ . 1 . 2]" 1
723 1 35 VAL HA 1 80 ALA MB . . 4.910 4.469 4.226 4.687 . 0 0 "[ . 1 . 2]" 1
724 1 35 VAL HA 1 81 ILE HB . . 5.500 5.060 4.599 5.509 0.009 7 0 "[ . 1 . 2]" 1
725 1 35 VAL HA 1 82 TYR QD . . 4.070 2.916 2.363 3.276 . 0 0 "[ . 1 . 2]" 1
726 1 35 VAL HA 1 82 TYR QE . . 4.380 3.528 3.062 3.743 . 0 0 "[ . 1 . 2]" 1
727 1 35 VAL HB 1 36 LEU H . . 4.530 4.243 3.965 4.467 . 0 0 "[ . 1 . 2]" 1
728 1 35 VAL HB 1 82 TYR QD . . 5.500 4.507 3.284 5.516 0.016 12 0 "[ . 1 . 2]" 1
729 1 35 VAL QG 1 36 LEU H . . 3.260 2.740 2.344 3.043 . 0 0 "[ . 1 . 2]" 1
730 1 35 VAL QG 1 36 LEU HA . . 4.540 3.982 3.677 4.286 . 0 0 "[ . 1 . 2]" 1
731 1 35 VAL QG 1 36 LEU QB . . 4.000 3.717 3.549 3.903 . 0 0 "[ . 1 . 2]" 1
732 1 35 VAL QG 1 37 HIS H . . 3.220 2.661 2.284 2.938 . 0 0 "[ . 1 . 2]" 1
733 1 35 VAL QG 1 37 HIS HA . . 3.970 3.383 3.114 3.606 . 0 0 "[ . 1 . 2]" 1
734 1 35 VAL QG 1 38 TYR H . . 4.760 4.173 3.855 4.378 . 0 0 "[ . 1 . 2]" 1
735 1 35 VAL QG 1 38 TYR HA . . 4.310 3.454 3.118 3.670 . 0 0 "[ . 1 . 2]" 1
736 1 35 VAL QG 1 38 TYR QD . . 4.330 2.882 2.566 3.268 . 0 0 "[ . 1 . 2]" 1
737 1 35 VAL QG 1 58 GLY H . . 5.050 4.562 4.106 5.028 . 0 0 "[ . 1 . 2]" 1
738 1 35 VAL QG 1 58 GLY QA . . 3.600 3.040 2.600 3.484 . 0 0 "[ . 1 . 2]" 1
739 1 35 VAL QG 1 80 ALA HA . . 3.750 2.591 2.368 2.877 . 0 0 "[ . 1 . 2]" 1
740 1 35 VAL QG 1 80 ALA MB . . 2.980 2.145 1.853 2.455 . 0 0 "[ . 1 . 2]" 1
741 1 35 VAL QG 1 81 ILE H . . 3.520 2.252 1.936 2.520 . 0 0 "[ . 1 . 2]" 1
742 1 35 VAL QG 1 81 ILE HB . . 4.280 3.264 3.018 3.496 . 0 0 "[ . 1 . 2]" 1
743 1 35 VAL QG 1 82 TYR QD . . 4.100 3.431 2.971 3.937 . 0 0 "[ . 1 . 2]" 1
744 1 35 VAL QG 1 82 TYR QE . . 3.410 2.592 1.927 3.372 . 0 0 "[ . 1 . 2]" 1
745 1 35 VAL MG1 1 36 LEU H . . 4.310 3.539 2.453 4.255 . 0 0 "[ . 1 . 2]" 1
746 1 35 VAL MG1 1 80 ALA MB . . 3.510 2.927 2.113 3.517 0.007 18 0 "[ . 1 . 2]" 1
747 1 35 VAL MG1 1 82 TYR QD . . 4.670 4.369 4.020 4.683 0.013 17 0 "[ . 1 . 2]" 1
748 1 35 VAL MG1 1 82 TYR QE . . 4.550 3.704 3.266 4.210 . 0 0 "[ . 1 . 2]" 1
749 1 35 VAL MG2 1 36 LEU H . . 4.310 3.391 2.357 4.175 . 0 0 "[ . 1 . 2]" 1
750 1 35 VAL MG2 1 80 ALA MB . . 3.510 2.243 1.997 2.506 . 0 0 "[ . 1 . 2]" 1
751 1 35 VAL MG2 1 82 TYR QD . . 4.670 3.625 3.020 4.303 . 0 0 "[ . 1 . 2]" 1
752 1 35 VAL MG2 1 82 TYR QE . . 4.550 2.915 1.932 4.106 . 0 0 "[ . 1 . 2]" 1
753 1 36 LEU H 1 36 LEU QB . . 3.300 2.566 2.461 2.679 . 0 0 "[ . 1 . 2]" 1
754 1 36 LEU H 1 36 LEU MD1 . . 4.120 3.505 3.362 3.699 . 0 0 "[ . 1 . 2]" 1
755 1 36 LEU H 1 36 LEU QD . . 3.430 2.918 2.599 3.126 . 0 0 "[ . 1 . 2]" 1
756 1 36 LEU H 1 36 LEU MD2 . . 4.120 3.145 2.657 3.447 . 0 0 "[ . 1 . 2]" 1
757 1 36 LEU H 1 36 LEU HG . . 3.360 2.032 1.897 2.303 . 0 0 "[ . 1 . 2]" 1
758 1 36 LEU H 1 37 HIS H . . 3.160 2.996 2.626 3.166 0.006 11 0 "[ . 1 . 2]" 1
759 1 36 LEU H 1 81 ILE MG . . 4.550 3.852 3.320 4.361 . 0 0 "[ . 1 . 2]" 1
760 1 36 LEU H 1 82 TYR HA . . 3.810 2.927 2.703 3.109 . 0 0 "[ . 1 . 2]" 1
761 1 36 LEU H 1 82 TYR QD . . 4.840 4.352 3.914 4.573 . 0 0 "[ . 1 . 2]" 1
762 1 36 LEU HA 1 36 LEU MD1 . . 4.080 3.912 3.824 3.957 . 0 0 "[ . 1 . 2]" 1
763 1 36 LEU HA 1 36 LEU QD . . 2.610 2.172 1.988 2.394 . 0 0 "[ . 1 . 2]" 1
764 1 36 LEU HA 1 36 LEU MD2 . . 4.080 2.183 1.994 2.414 . 0 0 "[ . 1 . 2]" 1
765 1 36 LEU HA 1 36 LEU HG . . 3.620 3.160 3.045 3.382 . 0 0 "[ . 1 . 2]" 1
766 1 36 LEU HA 1 37 HIS HA . . 4.720 4.594 4.575 4.626 . 0 0 "[ . 1 . 2]" 1
767 1 36 LEU QB 1 36 LEU MD1 . . 3.080 2.047 1.998 2.093 . 0 0 "[ . 1 . 2]" 1
768 1 36 LEU QB 1 36 LEU QD . . 2.570 1.893 1.821 1.948 . 0 0 "[ . 1 . 2]" 1
769 1 36 LEU QB 1 36 LEU MD2 . . 3.080 2.234 2.100 2.329 . 0 0 "[ . 1 . 2]" 1
770 1 36 LEU QB 1 37 HIS H . . 3.170 2.036 1.931 2.219 . 0 0 "[ . 1 . 2]" 1
771 1 36 LEU QB 1 37 HIS HD2 . . 4.290 1.965 1.808 2.305 . 0 0 "[ . 1 . 2]" 1
772 1 36 LEU QB 1 81 ILE H . . 5.010 4.828 4.575 5.011 0.001 5 0 "[ . 1 . 2]" 1
773 1 36 LEU QB 1 81 ILE HB . . 4.280 2.993 2.716 3.262 . 0 0 "[ . 1 . 2]" 1
774 1 36 LEU QB 1 82 TYR HA . . 4.520 4.257 3.824 4.457 . 0 0 "[ . 1 . 2]" 1
775 1 36 LEU QD 1 37 HIS H . . 3.870 3.698 3.550 3.874 0.004 12 0 "[ . 1 . 2]" 1
776 1 36 LEU QD 1 37 HIS HD2 . . 4.150 2.944 2.769 3.113 . 0 0 "[ . 1 . 2]" 1
777 1 36 LEU QD 1 82 TYR H . . 5.300 4.204 3.797 4.696 . 0 0 "[ . 1 . 2]" 1
778 1 36 LEU QD 1 82 TYR HA . . 3.620 3.353 3.009 3.622 0.002 18 0 "[ . 1 . 2]" 1
779 1 36 LEU QD 1 83 ALA H . . 3.550 3.298 2.924 3.533 . 0 0 "[ . 1 . 2]" 1
780 1 36 LEU QD 1 83 ALA HA . . 2.950 2.493 1.958 2.799 . 0 0 "[ . 1 . 2]" 1
781 1 36 LEU QD 1 83 ALA MB . . 3.620 3.179 2.750 3.340 . 0 0 "[ . 1 . 2]" 1
782 1 36 LEU MD1 1 37 HIS H . . 4.720 3.934 3.714 4.216 . 0 0 "[ . 1 . 2]" 1
783 1 36 LEU MD1 1 37 HIS HD2 . . 4.790 3.010 2.812 3.204 . 0 0 "[ . 1 . 2]" 1
784 1 36 LEU MD1 1 82 TYR HA . . 4.410 3.527 3.182 3.920 . 0 0 "[ . 1 . 2]" 1
785 1 36 LEU MD1 1 83 ALA H . . 4.370 3.521 3.102 4.004 . 0 0 "[ . 1 . 2]" 1
786 1 36 LEU MD2 1 37 HIS H . . 4.720 4.510 4.412 4.556 . 0 0 "[ . 1 . 2]" 1
787 1 36 LEU MD2 1 37 HIS HD2 . . 4.790 4.201 4.012 4.480 . 0 0 "[ . 1 . 2]" 1
788 1 36 LEU MD2 1 82 TYR HA . . 4.410 4.262 3.709 4.414 0.004 2 0 "[ . 1 . 2]" 1
789 1 36 LEU MD2 1 83 ALA H . . 4.370 4.043 3.575 4.289 . 0 0 "[ . 1 . 2]" 1
790 1 36 LEU HG 1 37 HIS H . . 4.320 4.037 3.922 4.116 . 0 0 "[ . 1 . 2]" 1
791 1 36 LEU HG 1 82 TYR HA . . 3.860 2.918 2.300 3.120 . 0 0 "[ . 1 . 2]" 1
792 1 36 LEU HG 1 82 TYR QD . . 5.250 5.020 4.406 5.252 0.002 18 0 "[ . 1 . 2]" 1
793 1 36 LEU HG 1 83 ALA H . . 4.200 3.572 3.235 3.953 . 0 0 "[ . 1 . 2]" 1
794 1 37 HIS H 1 37 HIS QB . . 3.560 3.202 3.115 3.304 . 0 0 "[ . 1 . 2]" 1
795 1 37 HIS H 1 38 TYR H . . 4.660 4.401 4.353 4.431 . 0 0 "[ . 1 . 2]" 1
796 1 37 HIS H 1 58 GLY QA . . 5.340 4.675 4.209 5.066 . 0 0 "[ . 1 . 2]" 1
797 1 37 HIS H 1 81 ILE H . . 3.950 3.581 3.391 3.844 . 0 0 "[ . 1 . 2]" 1
798 1 37 HIS H 1 81 ILE HB . . 3.580 2.307 2.084 2.557 . 0 0 "[ . 1 . 2]" 1
799 1 37 HIS H 1 81 ILE MD . . 5.040 4.324 3.893 5.041 0.001 6 0 "[ . 1 . 2]" 1
800 1 37 HIS H 1 81 ILE QG . . 4.470 3.934 3.411 4.430 . 0 0 "[ . 1 . 2]" 1
801 1 37 HIS H 1 81 ILE MG . . 4.070 3.320 3.035 3.705 . 0 0 "[ . 1 . 2]" 1
802 1 37 HIS HA 1 38 TYR H . . 3.200 2.473 2.290 2.646 . 0 0 "[ . 1 . 2]" 1
803 1 37 HIS HA 1 56 VAL H . . 5.500 5.043 4.778 5.299 . 0 0 "[ . 1 . 2]" 1
804 1 37 HIS HA 1 58 GLY H . . 3.100 2.458 2.108 3.130 0.030 18 0 "[ . 1 . 2]" 1
805 1 37 HIS HA 1 58 GLY QA . . 3.820 2.887 2.122 3.349 . 0 0 "[ . 1 . 2]" 1
806 1 37 HIS QB 1 38 TYR H . . 3.360 2.268 1.927 2.671 . 0 0 "[ . 1 . 2]" 1
807 1 37 HIS QB 1 56 VAL H . . 4.500 3.280 2.990 3.527 . 0 0 "[ . 1 . 2]" 1
808 1 37 HIS QB 1 58 GLY H . . 3.900 3.471 2.960 3.868 . 0 0 "[ . 1 . 2]" 1
809 1 37 HIS QB 1 81 ILE HB . . 5.340 4.338 4.095 4.531 . 0 0 "[ . 1 . 2]" 1
810 1 37 HIS QB 1 81 ILE MD . . 5.340 4.745 4.174 5.345 0.005 20 0 "[ . 1 . 2]" 1
811 1 37 HIS QB 1 81 ILE MG . . 5.340 4.729 4.372 5.029 . 0 0 "[ . 1 . 2]" 1
812 1 37 HIS HB2 1 38 TYR H . . 3.860 2.295 1.938 2.725 . 0 0 "[ . 1 . 2]" 1
813 1 37 HIS HB2 1 56 VAL H . . 5.270 3.341 3.049 3.594 . 0 0 "[ . 1 . 2]" 1
814 1 37 HIS HB2 1 58 GLY H . . 4.540 4.118 3.578 4.542 0.002 13 0 "[ . 1 . 2]" 1
815 1 37 HIS HB3 1 38 TYR H . . 3.860 3.603 3.390 3.841 . 0 0 "[ . 1 . 2]" 1
816 1 37 HIS HB3 1 56 VAL H . . 5.270 4.794 4.307 5.122 . 0 0 "[ . 1 . 2]" 1
817 1 37 HIS HB3 1 58 GLY H . . 4.540 3.755 3.157 4.422 . 0 0 "[ . 1 . 2]" 1
818 1 37 HIS HD2 1 81 ILE MD . . 5.350 5.255 4.699 5.356 0.006 15 0 "[ . 1 . 2]" 1
819 1 37 HIS HD2 1 81 ILE MG . . 4.170 3.201 2.495 3.654 . 0 0 "[ . 1 . 2]" 1
820 1 37 HIS HE1 1 81 ILE MD . . 4.330 3.529 2.978 3.945 . 0 0 "[ . 1 . 2]" 1
821 1 37 HIS HE1 1 81 ILE HG12 . . 5.120 3.022 2.146 4.377 . 0 0 "[ . 1 . 2]" 1
822 1 37 HIS HE1 1 81 ILE QG . . 4.410 2.403 2.133 2.631 . 0 0 "[ . 1 . 2]" 1
823 1 37 HIS HE1 1 81 ILE HG13 . . 5.120 3.313 2.517 4.060 . 0 0 "[ . 1 . 2]" 1
824 1 37 HIS HE1 1 81 ILE MG . . 3.860 3.182 2.657 3.846 . 0 0 "[ . 1 . 2]" 1
825 1 38 TYR H 1 38 TYR HB2 . . 3.740 2.505 2.376 2.604 . 0 0 "[ . 1 . 2]" 1
826 1 38 TYR H 1 38 TYR HB3 . . 3.980 3.696 3.618 3.755 . 0 0 "[ . 1 . 2]" 1
827 1 38 TYR H 1 38 TYR QD . . 4.170 3.297 2.621 3.703 . 0 0 "[ . 1 . 2]" 1
828 1 38 TYR H 1 39 TRP H . . 4.860 4.001 3.854 4.190 . 0 0 "[ . 1 . 2]" 1
829 1 38 TYR H 1 56 VAL H . . 3.710 3.216 3.003 3.512 . 0 0 "[ . 1 . 2]" 1
830 1 38 TYR H 1 56 VAL HB . . 3.890 3.116 1.892 3.453 . 0 0 "[ . 1 . 2]" 1
831 1 38 TYR H 1 56 VAL MG1 . . 4.430 3.896 3.333 4.247 . 0 0 "[ . 1 . 2]" 1
832 1 38 TYR H 1 56 VAL MG2 . . 4.730 4.510 3.297 4.736 0.006 12 0 "[ . 1 . 2]" 1
833 1 38 TYR H 1 58 GLY H . . 4.530 3.760 3.066 4.333 . 0 0 "[ . 1 . 2]" 1
834 1 38 TYR H 1 58 GLY QA . . 4.360 3.798 3.133 4.317 . 0 0 "[ . 1 . 2]" 1
835 1 38 TYR HA 1 39 TRP H . . 3.090 2.206 2.164 2.243 . 0 0 "[ . 1 . 2]" 1
836 1 38 TYR HA 1 39 TRP QB . . 4.800 4.147 4.122 4.162 . 0 0 "[ . 1 . 2]" 1
837 1 38 TYR HA 1 78 VAL QG . . 4.330 3.837 3.660 4.052 . 0 0 "[ . 1 . 2]" 1
838 1 38 TYR HA 1 79 SER H . . 4.620 4.270 3.976 4.496 . 0 0 "[ . 1 . 2]" 1
839 1 38 TYR HA 1 79 SER QB . . 5.500 5.155 4.864 5.451 . 0 0 "[ . 1 . 2]" 1
840 1 38 TYR HA 1 80 ALA HA . . 3.610 2.932 2.577 3.122 . 0 0 "[ . 1 . 2]" 1
841 1 38 TYR HA 1 80 ALA MB . . 5.300 4.378 4.045 4.561 . 0 0 "[ . 1 . 2]" 1
842 1 38 TYR HA 1 81 ILE H . . 3.770 3.191 2.942 3.361 . 0 0 "[ . 1 . 2]" 1
843 1 38 TYR HA 1 81 ILE HB . . 4.870 4.476 4.072 4.850 . 0 0 "[ . 1 . 2]" 1
844 1 38 TYR HA 1 81 ILE MD . . 4.840 3.254 2.307 4.591 . 0 0 "[ . 1 . 2]" 1
845 1 38 TYR HA 1 81 ILE QG . . 5.340 4.020 2.794 4.820 . 0 0 "[ . 1 . 2]" 1
846 1 38 TYR HB2 1 39 TRP H . . 4.600 4.504 4.449 4.547 . 0 0 "[ . 1 . 2]" 1
847 1 38 TYR HB2 1 40 LEU MD1 . . 5.000 4.689 4.181 4.979 . 0 0 "[ . 1 . 2]" 1
848 1 38 TYR HB2 1 56 VAL H . . 4.760 4.112 3.572 4.769 0.009 15 0 "[ . 1 . 2]" 1
849 1 38 TYR HB2 1 56 VAL HB . . 3.460 2.160 1.997 2.288 . 0 0 "[ . 1 . 2]" 1
850 1 38 TYR HB2 1 56 VAL MG1 . . 3.950 2.840 2.355 3.102 . 0 0 "[ . 1 . 2]" 1
851 1 38 TYR HB2 1 56 VAL MG2 . . 3.730 3.508 2.283 3.735 0.005 4 0 "[ . 1 . 2]" 1
852 1 38 TYR HB2 1 78 VAL QG . . 4.380 3.839 3.590 4.167 . 0 0 "[ . 1 . 2]" 1
853 1 38 TYR HB3 1 39 TRP H . . 3.990 3.909 3.774 4.005 0.015 15 0 "[ . 1 . 2]" 1
854 1 38 TYR HB3 1 40 LEU HB2 . . 5.300 4.415 4.161 4.819 . 0 0 "[ . 1 . 2]" 1
855 1 38 TYR HB3 1 40 LEU MD1 . . 4.680 4.344 3.744 4.567 . 0 0 "[ . 1 . 2]" 1
856 1 38 TYR HB3 1 56 VAL HB . . 3.830 3.490 3.070 3.774 . 0 0 "[ . 1 . 2]" 1
857 1 38 TYR HB3 1 56 VAL MG1 . . 4.180 4.017 3.681 4.192 0.012 4 0 "[ . 1 . 2]" 1
858 1 38 TYR HB3 1 56 VAL MG2 . . 4.470 4.125 3.064 4.445 . 0 0 "[ . 1 . 2]" 1
859 1 38 TYR HB3 1 78 VAL MG1 . . 4.820 2.571 2.375 2.836 . 0 0 "[ . 1 . 2]" 1
860 1 38 TYR HB3 1 78 VAL QG . . 3.510 2.558 2.365 2.817 . 0 0 "[ . 1 . 2]" 1
861 1 38 TYR HB3 1 78 VAL MG2 . . 4.820 4.576 4.290 4.822 0.002 3 0 "[ . 1 . 2]" 1
862 1 38 TYR QD 1 56 VAL HB . . 4.360 3.612 3.283 4.140 . 0 0 "[ . 1 . 2]" 1
863 1 38 TYR QD 1 56 VAL MG1 . . 3.980 2.875 2.074 3.933 . 0 0 "[ . 1 . 2]" 1
864 1 38 TYR QD 1 78 VAL QG . . 3.870 3.123 2.428 3.449 . 0 0 "[ . 1 . 2]" 1
865 1 38 TYR QD 1 80 ALA HA . . 4.190 2.397 2.000 3.878 . 0 0 "[ . 1 . 2]" 1
866 1 38 TYR QD 1 80 ALA MB . . 3.880 3.115 2.787 3.861 . 0 0 "[ . 1 . 2]" 1
867 1 39 TRP H 1 39 TRP HB2 . . 3.720 2.418 2.328 2.517 . 0 0 "[ . 1 . 2]" 1
868 1 39 TRP H 1 39 TRP QB . . 3.260 2.244 2.210 2.292 . 0 0 "[ . 1 . 2]" 1
869 1 39 TRP H 1 39 TRP HB3 . . 3.720 2.665 2.575 2.752 . 0 0 "[ . 1 . 2]" 1
870 1 39 TRP H 1 39 TRP HD1 . . 5.350 5.183 5.091 5.253 . 0 0 "[ . 1 . 2]" 1
871 1 39 TRP H 1 39 TRP HE3 . . 4.860 4.318 4.141 4.484 . 0 0 "[ . 1 . 2]" 1
872 1 39 TRP H 1 40 LEU H . . 4.830 4.308 4.209 4.433 . 0 0 "[ . 1 . 2]" 1
873 1 39 TRP H 1 78 VAL QG . . 4.370 4.241 4.002 4.381 0.011 11 0 "[ . 1 . 2]" 1
874 1 39 TRP H 1 79 SER H . . 3.810 3.747 3.465 3.824 0.014 13 0 "[ . 1 . 2]" 1
875 1 39 TRP H 1 79 SER QB . . 4.540 4.022 3.728 4.493 . 0 0 "[ . 1 . 2]" 1
876 1 39 TRP H 1 80 ALA HA . . 4.240 4.034 3.793 4.173 . 0 0 "[ . 1 . 2]" 1
877 1 39 TRP H 1 81 ILE H . . 4.560 3.820 3.461 4.068 . 0 0 "[ . 1 . 2]" 1
878 1 39 TRP H 1 81 ILE HB . . 4.980 4.398 4.175 4.678 . 0 0 "[ . 1 . 2]" 1
879 1 39 TRP H 1 81 ILE MD . . 3.550 2.304 1.782 3.216 . 0 0 "[ . 1 . 2]" 1
880 1 39 TRP H 1 81 ILE HG12 . . 4.680 3.122 2.196 3.794 . 0 0 "[ . 1 . 2]" 1
881 1 39 TRP H 1 81 ILE QG . . 3.970 3.013 2.145 3.630 . 0 0 "[ . 1 . 2]" 1
882 1 39 TRP H 1 81 ILE HG13 . . 4.680 3.981 3.008 4.676 . 0 0 "[ . 1 . 2]" 1
883 1 39 TRP HA 1 39 TRP HD1 . . 4.610 4.553 4.489 4.605 . 0 0 "[ . 1 . 2]" 1
884 1 39 TRP HA 1 39 TRP HE3 . . 3.530 2.149 1.993 2.330 . 0 0 "[ . 1 . 2]" 1
885 1 39 TRP HA 1 39 TRP HZ3 . . 4.870 4.383 4.257 4.547 . 0 0 "[ . 1 . 2]" 1
886 1 39 TRP HA 1 40 LEU H . . 2.900 2.179 2.144 2.223 . 0 0 "[ . 1 . 2]" 1
887 1 39 TRP HA 1 40 LEU HA . . 4.970 4.421 4.397 4.448 . 0 0 "[ . 1 . 2]" 1
888 1 39 TRP HA 1 40 LEU HB2 . . 4.520 4.395 4.299 4.484 . 0 0 "[ . 1 . 2]" 1
889 1 39 TRP HA 1 40 LEU HB3 . . 5.130 5.004 4.983 5.038 . 0 0 "[ . 1 . 2]" 1
890 1 39 TRP HA 1 55 SER HA . . 3.850 3.399 3.050 3.750 . 0 0 "[ . 1 . 2]" 1
891 1 39 TRP HA 1 55 SER QB . . 5.480 4.902 4.512 5.306 . 0 0 "[ . 1 . 2]" 1
892 1 39 TRP HA 1 56 VAL H . . 4.590 4.093 3.796 4.489 . 0 0 "[ . 1 . 2]" 1
893 1 39 TRP HA 1 78 VAL QG . . 5.440 4.979 4.771 5.183 . 0 0 "[ . 1 . 2]" 1
894 1 39 TRP HA 1 81 ILE MD . . 4.620 3.963 3.700 4.384 . 0 0 "[ . 1 . 2]" 1
895 1 39 TRP QB 1 39 TRP HD1 . . 3.240 2.497 2.495 2.502 . 0 0 "[ . 1 . 2]" 1
896 1 39 TRP QB 1 39 TRP HE3 . . 3.570 2.957 2.868 3.029 . 0 0 "[ . 1 . 2]" 1
897 1 39 TRP QB 1 40 LEU H . . 4.080 3.948 3.869 4.000 . 0 0 "[ . 1 . 2]" 1
898 1 39 TRP QB 1 79 SER H . . 4.450 3.591 3.379 3.839 . 0 0 "[ . 1 . 2]" 1
899 1 39 TRP QB 1 79 SER QB . . 3.610 2.786 2.302 3.454 . 0 0 "[ . 1 . 2]" 1
900 1 39 TRP QB 1 81 ILE QG . . 3.660 2.715 2.457 2.943 . 0 0 "[ . 1 . 2]" 1
901 1 39 TRP HB2 1 40 LEU H . . 4.760 4.528 4.445 4.579 . 0 0 "[ . 1 . 2]" 1
902 1 39 TRP HB2 1 81 ILE MD . . 3.210 2.014 1.972 2.095 . 0 0 "[ . 1 . 2]" 1
903 1 39 TRP HB2 1 81 ILE HG12 . . 4.750 3.021 2.803 3.342 . 0 0 "[ . 1 . 2]" 1
904 1 39 TRP HB2 1 81 ILE HG13 . . 4.750 3.472 2.682 3.997 . 0 0 "[ . 1 . 2]" 1
905 1 39 TRP HB3 1 40 LEU H . . 4.760 4.348 4.254 4.421 . 0 0 "[ . 1 . 2]" 1
906 1 39 TRP HB3 1 81 ILE MD . . 3.210 2.437 2.192 2.854 . 0 0 "[ . 1 . 2]" 1
907 1 39 TRP HB3 1 81 ILE HG12 . . 4.750 4.106 3.731 4.412 . 0 0 "[ . 1 . 2]" 1
908 1 39 TRP HB3 1 81 ILE HG13 . . 4.750 4.447 4.074 4.745 . 0 0 "[ . 1 . 2]" 1
909 1 39 TRP HD1 1 40 LEU H . . 5.500 5.397 5.006 5.522 0.022 18 0 "[ . 1 . 2]" 1
910 1 39 TRP HD1 1 41 THR MG . . 3.720 3.025 2.746 3.346 . 0 0 "[ . 1 . 2]" 1
911 1 39 TRP HD1 1 79 SER QB . . 4.380 3.854 3.468 4.333 . 0 0 "[ . 1 . 2]" 1
912 1 39 TRP HD1 1 81 ILE MD . . 4.440 4.185 3.864 4.441 0.001 2 0 "[ . 1 . 2]" 1
913 1 39 TRP HE1 1 41 THR MG . . 3.520 2.651 2.334 3.040 . 0 0 "[ . 1 . 2]" 1
914 1 39 TRP HE1 1 53 SER QB . . 4.120 3.571 2.998 3.884 . 0 0 "[ . 1 . 2]" 1
915 1 39 TRP HE3 1 40 LEU H . . 4.120 3.760 3.482 4.023 . 0 0 "[ . 1 . 2]" 1
916 1 39 TRP HE3 1 55 SER HA . . 3.880 3.164 2.632 3.487 . 0 0 "[ . 1 . 2]" 1
917 1 39 TRP HE3 1 55 SER QB . . 4.210 3.779 3.263 4.115 . 0 0 "[ . 1 . 2]" 1
918 1 39 TRP HE3 1 56 VAL H . . 4.820 4.436 3.826 4.821 0.001 8 0 "[ . 1 . 2]" 1
919 1 39 TRP HE3 1 81 ILE MD . . 4.630 4.541 4.323 4.635 0.005 12 0 "[ . 1 . 2]" 1
920 1 39 TRP HH2 1 53 SER QB . . 4.230 3.533 2.809 4.160 . 0 0 "[ . 1 . 2]" 1
921 1 39 TRP HH2 1 55 SER QB . . 4.980 4.608 3.721 5.010 0.030 12 0 "[ . 1 . 2]" 1
922 1 39 TRP HZ2 1 41 THR MG . . 4.490 3.815 3.395 4.324 . 0 0 "[ . 1 . 2]" 1
923 1 39 TRP HZ2 1 53 SER QB . . 3.450 2.824 2.365 3.201 . 0 0 "[ . 1 . 2]" 1
924 1 39 TRP HZ3 1 53 SER QB . . 5.050 4.595 4.150 5.050 0.000 2 0 "[ . 1 . 2]" 1
925 1 39 TRP HZ3 1 55 SER H . . 4.760 4.317 3.191 4.767 0.007 18 0 "[ . 1 . 2]" 1
926 1 39 TRP HZ3 1 55 SER HA . . 4.770 3.568 2.819 4.080 . 0 0 "[ . 1 . 2]" 1
927 1 39 TRP HZ3 1 55 SER QB . . 3.660 2.749 2.160 3.145 . 0 0 "[ . 1 . 2]" 1
928 1 40 LEU H 1 40 LEU HB2 . . 3.570 2.450 2.387 2.542 . 0 0 "[ . 1 . 2]" 1
929 1 40 LEU H 1 40 LEU HB3 . . 3.520 2.830 2.789 2.881 . 0 0 "[ . 1 . 2]" 1
930 1 40 LEU H 1 40 LEU MD1 . . 4.610 4.183 3.923 4.291 . 0 0 "[ . 1 . 2]" 1
931 1 40 LEU H 1 40 LEU MD2 . . 5.050 4.325 4.271 4.421 . 0 0 "[ . 1 . 2]" 1
932 1 40 LEU H 1 54 VAL H . . 4.210 3.792 3.291 4.165 . 0 0 "[ . 1 . 2]" 1
933 1 40 LEU H 1 54 VAL MG2 . . 4.260 3.681 3.346 3.942 . 0 0 "[ . 1 . 2]" 1
934 1 40 LEU H 1 55 SER HA . . 4.030 3.383 3.070 3.838 . 0 0 "[ . 1 . 2]" 1
935 1 40 LEU HA 1 40 LEU MD1 . . 4.140 3.520 2.592 3.592 . 0 0 "[ . 1 . 2]" 1
936 1 40 LEU HA 1 40 LEU MD2 . . 4.460 3.122 3.029 3.738 . 0 0 "[ . 1 . 2]" 1
937 1 40 LEU HA 1 40 LEU HG . . 3.560 2.275 2.257 2.391 . 0 0 "[ . 1 . 2]" 1
938 1 40 LEU HA 1 41 THR H . . 3.070 2.201 2.167 2.329 . 0 0 "[ . 1 . 2]" 1
939 1 40 LEU HA 1 41 THR HA . . 5.350 4.432 4.408 4.523 . 0 0 "[ . 1 . 2]" 1
940 1 40 LEU HA 1 41 THR MG . . 4.890 4.062 3.756 4.212 . 0 0 "[ . 1 . 2]" 1
941 1 40 LEU HA 1 54 VAL H . . 5.480 4.811 4.580 5.017 . 0 0 "[ . 1 . 2]" 1
942 1 40 LEU HA 1 56 VAL MG2 . . 5.450 4.823 4.350 5.156 . 0 0 "[ . 1 . 2]" 1
943 1 40 LEU HA 1 76 VAL QG . . 4.330 4.219 4.092 4.353 0.023 20 0 "[ . 1 . 2]" 1
944 1 40 LEU HA 1 77 LEU HB3 . . 5.500 5.398 5.213 5.507 0.007 20 0 "[ . 1 . 2]" 1
945 1 40 LEU HA 1 78 VAL H . . 5.500 4.902 4.725 5.074 . 0 0 "[ . 1 . 2]" 1
946 1 40 LEU HA 1 78 VAL HB . . 5.500 5.117 4.929 5.334 . 0 0 "[ . 1 . 2]" 1
947 1 40 LEU HA 1 78 VAL MG1 . . 4.310 3.239 2.967 3.548 . 0 0 "[ . 1 . 2]" 1
948 1 40 LEU HA 1 78 VAL QG . . 3.700 2.867 2.741 2.987 . 0 0 "[ . 1 . 2]" 1
949 1 40 LEU HA 1 78 VAL MG2 . . 4.310 3.224 3.007 3.411 . 0 0 "[ . 1 . 2]" 1
950 1 40 LEU HA 1 79 SER H . . 4.040 3.718 3.552 3.880 . 0 0 "[ . 1 . 2]" 1
951 1 40 LEU HB2 1 41 THR H . . 4.330 4.284 4.097 4.355 0.025 20 0 "[ . 1 . 2]" 1
952 1 40 LEU HB2 1 54 VAL H . . 5.000 4.386 3.928 4.698 . 0 0 "[ . 1 . 2]" 1
953 1 40 LEU HB2 1 54 VAL HB . . 5.500 5.471 4.847 5.514 0.014 20 0 "[ . 1 . 2]" 1
954 1 40 LEU HB2 1 54 VAL MG2 . . 3.590 2.966 2.547 3.137 . 0 0 "[ . 1 . 2]" 1
955 1 40 LEU HB2 1 78 VAL MG1 . . 4.460 3.623 3.293 3.986 . 0 0 "[ . 1 . 2]" 1
956 1 40 LEU HB2 1 78 VAL MG2 . . 4.460 3.945 3.576 4.284 . 0 0 "[ . 1 . 2]" 1
957 1 40 LEU HB3 1 40 LEU MD2 . . 3.370 2.088 2.014 2.197 . 0 0 "[ . 1 . 2]" 1
958 1 40 LEU HB3 1 41 THR H . . 4.110 3.723 3.327 3.845 . 0 0 "[ . 1 . 2]" 1
959 1 40 LEU HB3 1 41 THR HA . . 4.380 4.312 4.082 4.381 0.001 6 0 "[ . 1 . 2]" 1
960 1 40 LEU HB3 1 42 TYR QD . . 4.930 4.317 4.004 4.528 . 0 0 "[ . 1 . 2]" 1
961 1 40 LEU HB3 1 54 VAL H . . 4.360 2.879 2.532 3.162 . 0 0 "[ . 1 . 2]" 1
962 1 40 LEU HB3 1 54 VAL HB . . 4.960 4.472 4.156 4.582 . 0 0 "[ . 1 . 2]" 1
963 1 40 LEU HB3 1 54 VAL MG2 . . 3.530 1.945 1.766 2.065 . 0 0 "[ . 1 . 2]" 1
964 1 40 LEU HB3 1 56 VAL MG2 . . 3.870 3.413 3.194 3.870 0.000 13 0 "[ . 1 . 2]" 1
965 1 40 LEU HB3 1 65 LEU MD1 . . 5.500 4.924 4.638 5.278 . 0 0 "[ . 1 . 2]" 1
966 1 40 LEU HB3 1 65 LEU MD2 . . 4.250 3.594 3.361 3.826 . 0 0 "[ . 1 . 2]" 1
967 1 40 LEU HB3 1 78 VAL MG1 . . 5.500 4.898 4.561 5.259 . 0 0 "[ . 1 . 2]" 1
968 1 40 LEU HB3 1 78 VAL QG . . 4.630 4.226 4.002 4.403 . 0 0 "[ . 1 . 2]" 1
969 1 40 LEU HB3 1 78 VAL MG2 . . 5.500 4.634 4.329 4.909 . 0 0 "[ . 1 . 2]" 1
970 1 40 LEU MD1 1 54 VAL HB . . 5.500 5.128 4.941 5.553 0.053 13 0 "[ . 1 . 2]" 1
971 1 40 LEU MD1 1 56 VAL MG1 . . 4.130 3.918 3.721 4.122 . 0 0 "[ . 1 . 2]" 1
972 1 40 LEU MD1 1 56 VAL MG2 . . 3.170 2.386 2.022 2.782 . 0 0 "[ . 1 . 2]" 1
973 1 40 LEU MD1 1 63 VAL H . . 4.670 4.288 4.048 4.675 0.005 13 0 "[ . 1 . 2]" 1
974 1 40 LEU MD1 1 63 VAL HB . . 3.610 3.553 3.320 3.624 0.014 16 0 "[ . 1 . 2]" 1
975 1 40 LEU MD1 1 78 VAL QG . . 3.480 2.326 1.692 2.691 . 0 0 "[ . 1 . 2]" 1
976 1 40 LEU MD1 1 79 SER H . . 5.490 5.433 4.332 5.515 0.025 11 0 "[ . 1 . 2]" 1
977 1 40 LEU MD2 1 41 THR H . . 3.600 2.510 2.049 3.292 . 0 0 "[ . 1 . 2]" 1
978 1 40 LEU MD2 1 41 THR HA . . 4.490 3.403 3.178 4.201 . 0 0 "[ . 1 . 2]" 1
979 1 40 LEU MD2 1 42 TYR HB2 . . 5.500 4.094 3.629 5.005 . 0 0 "[ . 1 . 2]" 1
980 1 40 LEU MD2 1 42 TYR HB3 . . 3.910 2.705 2.309 3.514 . 0 0 "[ . 1 . 2]" 1
981 1 40 LEU MD2 1 42 TYR QD . . 3.220 2.667 2.463 2.832 . 0 0 "[ . 1 . 2]" 1
982 1 40 LEU MD2 1 42 TYR QE . . 4.840 4.345 3.815 4.588 . 0 0 "[ . 1 . 2]" 1
983 1 40 LEU MD2 1 54 VAL HB . . 5.500 4.888 3.947 5.212 . 0 0 "[ . 1 . 2]" 1
984 1 40 LEU MD2 1 65 LEU MD2 . . 3.270 2.030 1.782 2.236 . 0 0 "[ . 1 . 2]" 1
985 1 40 LEU MD2 1 76 VAL HA . . 4.520 3.384 3.052 4.537 0.017 13 0 "[ . 1 . 2]" 1
986 1 40 LEU HG 1 41 THR H . . 4.050 2.966 2.155 3.125 . 0 0 "[ . 1 . 2]" 1
987 1 40 LEU HG 1 76 VAL QG . . 3.780 2.773 2.634 2.963 . 0 0 "[ . 1 . 2]" 1
988 1 40 LEU HG 1 78 VAL MG1 . . 4.050 3.224 2.910 3.891 . 0 0 "[ . 1 . 2]" 1
989 1 40 LEU HG 1 78 VAL QG . . 3.080 2.083 1.885 2.736 . 0 0 "[ . 1 . 2]" 1
990 1 40 LEU HG 1 78 VAL MG2 . . 4.050 2.114 1.898 2.796 . 0 0 "[ . 1 . 2]" 1
991 1 41 THR H 1 41 THR HB . . 3.950 3.801 3.716 3.953 0.003 13 0 "[ . 1 . 2]" 1
992 1 41 THR H 1 41 THR MG . . 4.320 3.356 3.210 3.458 . 0 0 "[ . 1 . 2]" 1
993 1 41 THR H 1 53 SER HA . . 5.010 4.574 4.393 4.711 . 0 0 "[ . 1 . 2]" 1
994 1 41 THR H 1 54 VAL MG2 . . 5.220 4.637 4.151 4.833 . 0 0 "[ . 1 . 2]" 1
995 1 41 THR H 1 77 LEU HB3 . . 4.620 4.206 3.999 4.485 . 0 0 "[ . 1 . 2]" 1
996 1 41 THR H 1 77 LEU QD . . 5.140 4.622 4.367 4.791 . 0 0 "[ . 1 . 2]" 1
997 1 41 THR H 1 78 VAL MG1 . . 5.390 4.773 4.553 5.036 . 0 0 "[ . 1 . 2]" 1
998 1 41 THR H 1 78 VAL QG . . 4.200 3.583 3.440 3.812 . 0 0 "[ . 1 . 2]" 1
999 1 41 THR H 1 78 VAL MG2 . . 5.390 3.706 3.535 4.028 . 0 0 "[ . 1 . 2]" 1
1000 1 41 THR HA 1 41 THR MG . . 3.470 2.127 2.044 2.289 . 0 0 "[ . 1 . 2]" 1
1001 1 41 THR HA 1 42 TYR QD . . 4.450 3.755 3.296 4.239 . 0 0 "[ . 1 . 2]" 1
1002 1 41 THR HA 1 53 SER H . . 4.760 4.536 4.411 4.680 . 0 0 "[ . 1 . 2]" 1
1003 1 41 THR HA 1 53 SER HA . . 3.500 2.024 1.991 2.122 . 0 0 "[ . 1 . 2]" 1
1004 1 41 THR HA 1 53 SER QB . . 4.130 3.218 2.607 3.737 . 0 0 "[ . 1 . 2]" 1
1005 1 41 THR HA 1 54 VAL H . . 4.610 3.346 3.194 3.582 . 0 0 "[ . 1 . 2]" 1
1006 1 41 THR HA 1 54 VAL MG1 . . 4.910 4.905 4.862 4.932 0.022 15 0 "[ . 1 . 2]" 1
1007 1 41 THR HA 1 54 VAL MG2 . . 4.710 4.169 3.897 4.480 . 0 0 "[ . 1 . 2]" 1
1008 1 41 THR HB 1 42 TYR H . . 4.200 3.803 3.592 4.066 . 0 0 "[ . 1 . 2]" 1
1009 1 41 THR HB 1 51 GLU QB . . 5.060 4.597 3.688 5.068 0.008 14 0 "[ . 1 . 2]" 1
1010 1 41 THR HB 1 51 GLU HG2 . . 5.230 3.775 2.814 5.238 0.008 11 0 "[ . 1 . 2]" 1
1011 1 41 THR HB 1 51 GLU QG . . 4.590 3.256 2.756 4.291 . 0 0 "[ . 1 . 2]" 1
1012 1 41 THR HB 1 51 GLU HG3 . . 5.230 3.855 3.122 5.135 . 0 0 "[ . 1 . 2]" 1
1013 1 41 THR HB 1 53 SER HA . . 4.800 4.129 3.949 4.345 . 0 0 "[ . 1 . 2]" 1
1014 1 41 THR HB 1 53 SER QB . . 4.930 4.046 3.648 4.736 . 0 0 "[ . 1 . 2]" 1
1015 1 41 THR HB 1 77 LEU H . . 4.790 4.411 4.121 4.556 . 0 0 "[ . 1 . 2]" 1
1016 1 41 THR HB 1 77 LEU HB2 . . 3.670 3.471 3.177 3.635 . 0 0 "[ . 1 . 2]" 1
1017 1 41 THR HB 1 77 LEU HB3 . . 4.630 4.535 4.212 4.643 0.013 15 0 "[ . 1 . 2]" 1
1018 1 41 THR HB 1 77 LEU MD1 . . 5.440 4.240 3.835 4.483 . 0 0 "[ . 1 . 2]" 1
1019 1 41 THR HB 1 77 LEU QD . . 4.450 3.906 3.603 4.093 . 0 0 "[ . 1 . 2]" 1
1020 1 41 THR HB 1 77 LEU MD2 . . 5.440 4.585 4.325 4.757 . 0 0 "[ . 1 . 2]" 1
1021 1 41 THR MG 1 42 TYR H . . 4.100 3.991 3.862 4.111 0.011 7 0 "[ . 1 . 2]" 1
1022 1 41 THR MG 1 51 GLU QB . . 4.910 4.732 4.437 4.918 0.008 4 0 "[ . 1 . 2]" 1
1023 1 41 THR MG 1 51 GLU QG . . 3.800 3.548 3.197 3.802 0.002 18 0 "[ . 1 . 2]" 1
1024 1 41 THR MG 1 53 SER HA . . 3.850 2.491 2.161 3.080 . 0 0 "[ . 1 . 2]" 1
1025 1 41 THR MG 1 53 SER QB . . 3.580 1.947 1.754 2.386 . 0 0 "[ . 1 . 2]" 1
1026 1 41 THR MG 1 54 VAL H . . 3.920 3.703 3.441 3.893 . 0 0 "[ . 1 . 2]" 1
1027 1 41 THR MG 1 77 LEU HB3 . . 4.840 4.531 4.209 4.809 . 0 0 "[ . 1 . 2]" 1
1028 1 41 THR MG 1 79 SER QB . . 5.500 5.418 5.110 5.510 0.010 15 0 "[ . 1 . 2]" 1
1029 1 42 TYR H 1 42 TYR QD . . 3.900 2.215 1.904 2.532 . 0 0 "[ . 1 . 2]" 1
1030 1 42 TYR H 1 43 ALA H . . 4.990 4.550 4.507 4.590 . 0 0 "[ . 1 . 2]" 1
1031 1 42 TYR H 1 43 ALA MB . . 4.910 4.760 4.380 4.946 0.036 4 0 "[ . 1 . 2]" 1
1032 1 42 TYR H 1 52 LYS H . . 4.540 4.307 4.033 4.577 0.037 20 0 "[ . 1 . 2]" 1
1033 1 42 TYR H 1 53 SER HA . . 4.240 3.164 2.579 3.463 . 0 0 "[ . 1 . 2]" 1
1034 1 42 TYR H 1 54 VAL MG2 . . 5.490 4.097 3.693 4.359 . 0 0 "[ . 1 . 2]" 1
1035 1 42 TYR H 1 65 LEU MD1 . . 4.940 4.117 3.885 4.525 . 0 0 "[ . 1 . 2]" 1
1036 1 42 TYR HA 1 42 TYR QD . . 4.220 3.731 3.703 3.742 . 0 0 "[ . 1 . 2]" 1
1037 1 42 TYR HA 1 43 ALA H . . 2.950 2.296 2.208 2.431 . 0 0 "[ . 1 . 2]" 1
1038 1 42 TYR HA 1 43 ALA MB . . 4.700 3.778 3.703 3.902 . 0 0 "[ . 1 . 2]" 1
1039 1 42 TYR HA 1 76 VAL HA . . 3.790 2.249 2.031 2.492 . 0 0 "[ . 1 . 2]" 1
1040 1 42 TYR HA 1 76 VAL MG1 . . 4.280 3.946 3.709 4.288 0.008 16 0 "[ . 1 . 2]" 1
1041 1 42 TYR HA 1 76 VAL QG . . 3.580 3.143 2.775 3.470 . 0 0 "[ . 1 . 2]" 1
1042 1 42 TYR HA 1 76 VAL MG2 . . 4.280 3.313 2.848 3.687 . 0 0 "[ . 1 . 2]" 1
1043 1 42 TYR HA 1 77 LEU H . . 4.200 2.961 2.724 3.203 . 0 0 "[ . 1 . 2]" 1
1044 1 42 TYR HA 1 77 LEU QD . . 4.800 3.878 3.516 4.330 . 0 0 "[ . 1 . 2]" 1
1045 1 42 TYR HB2 1 43 ALA H . . 3.680 2.741 2.365 3.025 . 0 0 "[ . 1 . 2]" 1
1046 1 42 TYR HB2 1 65 LEU MD1 . . 4.060 2.593 2.213 3.073 . 0 0 "[ . 1 . 2]" 1
1047 1 42 TYR HB2 1 68 LEU MD2 . . 5.010 4.278 3.925 4.537 . 0 0 "[ . 1 . 2]" 1
1048 1 42 TYR HB2 1 76 VAL HA . . 4.670 3.587 3.350 3.807 . 0 0 "[ . 1 . 2]" 1
1049 1 42 TYR HB2 1 76 VAL QG . . 3.500 2.856 2.354 3.253 . 0 0 "[ . 1 . 2]" 1
1050 1 42 TYR HB3 1 43 ALA H . . 4.140 3.974 3.659 4.177 0.037 20 0 "[ . 1 . 2]" 1
1051 1 42 TYR HB3 1 54 VAL MG2 . . 5.500 4.487 4.166 4.951 . 0 0 "[ . 1 . 2]" 1
1052 1 42 TYR HB3 1 65 LEU MD1 . . 4.040 1.993 1.877 2.291 . 0 0 "[ . 1 . 2]" 1
1053 1 42 TYR HB3 1 76 VAL HA . . 4.630 3.266 2.915 3.647 . 0 0 "[ . 1 . 2]" 1
1054 1 42 TYR HB3 1 76 VAL MG1 . . 3.860 3.549 3.216 3.824 . 0 0 "[ . 1 . 2]" 1
1055 1 42 TYR HB3 1 76 VAL QG . . 3.270 2.674 2.476 2.837 . 0 0 "[ . 1 . 2]" 1
1056 1 42 TYR HB3 1 76 VAL MG2 . . 3.860 2.775 2.536 2.999 . 0 0 "[ . 1 . 2]" 1
1057 1 42 TYR QD 1 43 ALA H . . 4.320 3.541 3.202 4.084 . 0 0 "[ . 1 . 2]" 1
1058 1 42 TYR QD 1 43 ALA MB . . 5.210 4.495 4.213 4.901 . 0 0 "[ . 1 . 2]" 1
1059 1 42 TYR QD 1 52 LYS HB2 . . 4.740 3.433 3.183 3.720 . 0 0 "[ . 1 . 2]" 1
1060 1 42 TYR QD 1 53 SER HA . . 4.420 3.851 3.297 4.232 . 0 0 "[ . 1 . 2]" 1
1061 1 42 TYR QD 1 54 VAL H . . 4.820 3.896 3.507 4.383 . 0 0 "[ . 1 . 2]" 1
1062 1 42 TYR QD 1 54 VAL MG1 . . 4.150 3.153 2.748 3.710 . 0 0 "[ . 1 . 2]" 1
1063 1 42 TYR QD 1 54 VAL MG2 . . 4.530 2.910 2.659 3.240 . 0 0 "[ . 1 . 2]" 1
1064 1 42 TYR QD 1 65 LEU HB2 . . 5.350 4.727 4.453 4.986 . 0 0 "[ . 1 . 2]" 1
1065 1 42 TYR QD 1 65 LEU MD1 . . 3.770 2.803 2.439 3.120 . 0 0 "[ . 1 . 2]" 1
1066 1 42 TYR QD 1 65 LEU MD2 . . 3.600 2.055 1.916 2.297 . 0 0 "[ . 1 . 2]" 1
1067 1 42 TYR QD 1 65 LEU HG . . 5.500 4.642 4.470 4.818 . 0 0 "[ . 1 . 2]" 1
1068 1 42 TYR QD 1 68 LEU MD2 . . 3.680 3.243 2.833 3.614 . 0 0 "[ . 1 . 2]" 1
1069 1 42 TYR QD 1 74 TYR QD . . 3.950 2.389 2.016 2.840 . 0 0 "[ . 1 . 2]" 1
1070 1 42 TYR QD 1 74 TYR QE . . 5.080 3.766 3.329 4.301 . 0 0 "[ . 1 . 2]" 1
1071 1 42 TYR QD 1 76 VAL MG1 . . 5.070 4.814 4.443 5.072 0.002 14 0 "[ . 1 . 2]" 1
1072 1 42 TYR QD 1 76 VAL QG . . 4.190 4.010 3.855 4.170 . 0 0 "[ . 1 . 2]" 1
1073 1 42 TYR QD 1 76 VAL MG2 . . 5.070 4.302 4.069 4.540 . 0 0 "[ . 1 . 2]" 1
1074 1 42 TYR QE 1 52 LYS HB2 . . 4.350 2.972 2.667 3.339 . 0 0 "[ . 1 . 2]" 1
1075 1 42 TYR QE 1 52 LYS HB3 . . 4.470 2.958 2.604 3.393 . 0 0 "[ . 1 . 2]" 1
1076 1 42 TYR QE 1 52 LYS QD . . 4.400 4.004 3.632 4.375 . 0 0 "[ . 1 . 2]" 1
1077 1 42 TYR QE 1 52 LYS QE . . 5.370 4.746 4.163 5.362 . 0 0 "[ . 1 . 2]" 1
1078 1 42 TYR QE 1 53 SER HA . . 4.780 4.273 3.647 4.643 . 0 0 "[ . 1 . 2]" 1
1079 1 42 TYR QE 1 54 VAL H . . 4.660 4.206 3.584 4.642 . 0 0 "[ . 1 . 2]" 1
1080 1 42 TYR QE 1 54 VAL HB . . 5.070 4.699 4.400 4.920 . 0 0 "[ . 1 . 2]" 1
1081 1 42 TYR QE 1 54 VAL MG1 . . 3.380 1.942 1.840 2.210 . 0 0 "[ . 1 . 2]" 1
1082 1 42 TYR QE 1 65 LEU MD1 . . 4.330 4.035 3.643 4.312 . 0 0 "[ . 1 . 2]" 1
1083 1 42 TYR QE 1 65 LEU MD2 . . 3.310 2.672 2.511 2.828 . 0 0 "[ . 1 . 2]" 1
1084 1 42 TYR QE 1 65 LEU HG . . 5.500 5.466 5.254 5.503 0.003 17 0 "[ . 1 . 2]" 1
1085 1 42 TYR QE 1 68 LEU MD2 . . 3.490 3.156 2.614 3.487 . 0 0 "[ . 1 . 2]" 1
1086 1 43 ALA H 1 74 TYR QB . . 4.150 3.175 2.748 3.516 . 0 0 "[ . 1 . 2]" 1
1087 1 43 ALA H 1 74 TYR QD . . 4.430 3.668 3.017 4.348 . 0 0 "[ . 1 . 2]" 1
1088 1 43 ALA H 1 75 ARG H . . 4.370 3.266 2.768 3.810 . 0 0 "[ . 1 . 2]" 1
1089 1 43 ALA H 1 75 ARG HB2 . . 4.710 4.473 4.009 4.752 0.042 20 0 "[ . 1 . 2]" 1
1090 1 43 ALA H 1 75 ARG QB . . 4.110 3.460 3.121 3.710 . 0 0 "[ . 1 . 2]" 1
1091 1 43 ALA H 1 75 ARG HB3 . . 4.710 3.602 3.255 3.883 . 0 0 "[ . 1 . 2]" 1
1092 1 43 ALA H 1 76 VAL HA . . 4.120 3.803 3.510 4.101 . 0 0 "[ . 1 . 2]" 1
1093 1 43 ALA H 1 76 VAL QG . . 4.350 3.973 3.647 4.347 . 0 0 "[ . 1 . 2]" 1
1094 1 43 ALA H 1 77 LEU H . . 5.500 4.790 4.520 4.987 . 0 0 "[ . 1 . 2]" 1
1095 1 43 ALA H 1 77 LEU QD . . 4.840 4.354 3.886 4.642 . 0 0 "[ . 1 . 2]" 1
1096 1 43 ALA HA 1 44 PRO HD2 . . 3.750 2.567 2.382 2.651 . 0 0 "[ . 1 . 2]" 1
1097 1 43 ALA HA 1 44 PRO QD . . 3.230 2.194 2.080 2.249 . 0 0 "[ . 1 . 2]" 1
1098 1 43 ALA HA 1 44 PRO HD3 . . 3.750 2.382 2.292 2.430 . 0 0 "[ . 1 . 2]" 1
1099 1 43 ALA MB 1 44 PRO HD2 . . 3.700 1.958 1.875 2.093 . 0 0 "[ . 1 . 2]" 1
1100 1 43 ALA MB 1 44 PRO QD . . 3.120 1.937 1.857 2.066 . 0 0 "[ . 1 . 2]" 1
1101 1 43 ALA MB 1 44 PRO HD3 . . 3.700 3.061 2.955 3.245 . 0 0 "[ . 1 . 2]" 1
1102 1 43 ALA MB 1 51 GLU HA . . 3.260 2.334 1.963 3.050 . 0 0 "[ . 1 . 2]" 1
1103 1 43 ALA MB 1 51 GLU QB . . 3.850 2.867 1.902 3.637 . 0 0 "[ . 1 . 2]" 1
1104 1 43 ALA MB 1 52 LYS H . . 4.140 3.164 2.352 3.931 . 0 0 "[ . 1 . 2]" 1
1105 1 43 ALA MB 1 75 ARG H . . 4.980 4.048 3.642 4.609 . 0 0 "[ . 1 . 2]" 1
1106 1 44 PRO HA 1 45 ALA H . . 3.410 2.710 2.153 3.304 . 0 0 "[ . 1 . 2]" 1
1107 1 44 PRO HA 1 45 ALA MB . . 4.310 3.865 3.720 3.974 . 0 0 "[ . 1 . 2]" 1
1108 1 44 PRO HA 1 72 THR MG . . 3.930 3.672 3.430 3.944 0.014 20 0 "[ . 1 . 2]" 1
1109 1 44 PRO HA 1 74 TYR QB . . 4.730 4.466 4.095 4.745 0.015 13 0 "[ . 1 . 2]" 1
1110 1 44 PRO HA 1 74 TYR QD . . 4.360 3.788 3.088 4.325 . 0 0 "[ . 1 . 2]" 1
1111 1 44 PRO HA 1 75 ARG H . . 4.200 3.813 3.186 4.219 0.019 6 0 "[ . 1 . 2]" 1
1112 1 44 PRO QB 1 45 ALA H . . 4.060 3.713 3.330 3.815 . 0 0 "[ . 1 . 2]" 1
1113 1 44 PRO QB 1 72 THR MG . . 3.960 3.524 2.949 3.713 . 0 0 "[ . 1 . 2]" 1
1114 1 44 PRO HB2 1 45 ALA H . . 4.620 3.993 3.555 4.147 . 0 0 "[ . 1 . 2]" 1
1115 1 44 PRO HB2 1 72 THR MG . . 4.780 4.282 3.721 4.617 . 0 0 "[ . 1 . 2]" 1
1116 1 44 PRO HB3 1 45 ALA H . . 4.620 4.420 4.016 4.520 . 0 0 "[ . 1 . 2]" 1
1117 1 44 PRO HB3 1 72 THR MG . . 4.780 3.766 3.092 4.072 . 0 0 "[ . 1 . 2]" 1
1118 1 44 PRO QD 1 49 GLY H . . 5.110 4.598 3.904 5.093 . 0 0 "[ . 1 . 2]" 1
1119 1 44 PRO QG 1 49 GLY H . . 3.990 3.070 2.051 3.887 . 0 0 "[ . 1 . 2]" 1
1120 1 44 PRO QG 1 49 GLY QA . . 5.110 3.024 2.082 4.539 . 0 0 "[ . 1 . 2]" 1
1121 1 44 PRO QG 1 72 THR MG . . 5.350 5.150 4.556 5.355 0.005 5 0 "[ . 1 . 2]" 1
1122 1 44 PRO HG2 1 49 GLY H . . 4.730 3.370 2.327 4.423 . 0 0 "[ . 1 . 2]" 1
1123 1 44 PRO HG3 1 49 GLY H . . 4.730 3.667 2.274 4.767 0.037 20 0 "[ . 1 . 2]" 1
1124 1 45 ALA H 1 45 ALA MB . . 3.510 2.453 2.036 2.916 . 0 0 "[ . 1 . 2]" 1
1125 1 45 ALA HA 1 75 ARG HB2 . . 4.270 2.367 1.988 3.122 . 0 0 "[ . 1 . 2]" 1
1126 1 45 ALA HA 1 75 ARG QB . . 3.740 2.326 1.970 2.997 . 0 0 "[ . 1 . 2]" 1
1127 1 45 ALA HA 1 75 ARG HB3 . . 4.270 3.525 3.020 3.961 . 0 0 "[ . 1 . 2]" 1
1128 1 45 ALA HA 1 75 ARG QD . . 4.590 3.623 2.672 4.270 . 0 0 "[ . 1 . 2]" 1
1129 1 45 ALA HA 1 75 ARG QG . . 4.490 3.871 3.216 4.428 . 0 0 "[ . 1 . 2]" 1
1130 1 45 ALA MB 1 73 LYS QB . . 3.820 3.562 2.351 3.868 0.048 6 0 "[ . 1 . 2]" 1
1131 1 45 ALA MB 1 73 LYS QE . . 5.260 3.670 1.752 5.258 . 0 0 "[ . 1 . 2]" 1
1132 1 45 ALA MB 1 75 ARG H . . 3.160 2.802 2.246 3.236 0.076 20 0 "[ . 1 . 2]" 1
1133 1 45 ALA MB 1 75 ARG QB . . 4.040 2.247 1.948 2.813 . 0 0 "[ . 1 . 2]" 1
1134 1 45 ALA MB 1 75 ARG HD2 . . 5.110 4.236 2.844 4.778 . 0 0 "[ . 1 . 2]" 1
1135 1 45 ALA MB 1 75 ARG QD . . 4.250 3.926 2.806 4.291 0.041 8 0 "[ . 1 . 2]" 1
1136 1 45 ALA MB 1 75 ARG HD3 . . 5.110 4.743 3.777 5.085 . 0 0 "[ . 1 . 2]" 1
1137 1 45 ALA MB 1 75 ARG QG . . 3.100 3.065 2.858 3.120 0.020 16 0 "[ . 1 . 2]" 1
1138 1 46 SER H 1 47 GLY H . . 4.710 3.103 1.995 4.283 . 0 0 "[ . 1 . 2]" 1
1139 1 46 SER H 1 47 GLY QA . . 5.250 4.426 3.867 4.751 . 0 0 "[ . 1 . 2]" 1
1140 1 46 SER HA 1 48 LEU QD . . 4.760 4.355 3.392 4.658 . 0 0 "[ . 1 . 2]" 1
1141 1 46 SER HA 1 48 LEU HG . . 5.030 4.806 3.662 5.046 0.016 17 0 "[ . 1 . 2]" 1
1142 1 46 SER QB 1 48 LEU QB . . 4.230 3.828 3.379 4.304 0.074 20 0 "[ . 1 . 2]" 1
1143 1 46 SER QB 1 48 LEU QD . . 3.740 2.378 1.932 3.622 . 0 0 "[ . 1 . 2]" 1
1144 1 46 SER QB 1 48 LEU HG . . 4.280 2.824 2.225 4.227 . 0 0 "[ . 1 . 2]" 1
1145 1 47 GLY QA 1 49 GLY H . . 5.060 3.799 3.153 4.550 . 0 0 "[ . 1 . 2]" 1
1146 1 48 LEU H 1 48 LEU QB . . 3.370 2.754 2.407 3.248 . 0 0 "[ . 1 . 2]" 1
1147 1 48 LEU H 1 48 LEU MD1 . . 4.520 3.593 2.547 4.048 . 0 0 "[ . 1 . 2]" 1
1148 1 48 LEU H 1 48 LEU QD . . 3.940 3.145 1.896 3.617 . 0 0 "[ . 1 . 2]" 1
1149 1 48 LEU H 1 48 LEU MD2 . . 4.520 3.673 1.903 4.281 . 0 0 "[ . 1 . 2]" 1
1150 1 48 LEU H 1 48 LEU HG . . 3.680 2.576 1.979 3.260 . 0 0 "[ . 1 . 2]" 1
1151 1 48 LEU HA 1 48 LEU MD1 . . 4.170 3.816 3.487 4.116 . 0 0 "[ . 1 . 2]" 1
1152 1 48 LEU HA 1 48 LEU QD . . 3.310 2.765 2.233 3.391 0.081 10 0 "[ . 1 . 2]" 1
1153 1 48 LEU HA 1 48 LEU MD2 . . 4.170 3.021 2.246 4.081 . 0 0 "[ . 1 . 2]" 1
1154 1 48 LEU QB 1 49 GLY H . . 4.130 3.225 2.141 3.929 . 0 0 "[ . 1 . 2]" 1
1155 1 48 LEU QD 1 49 GLY H . . 4.930 3.616 2.380 4.522 . 0 0 "[ . 1 . 2]" 1
1156 1 48 LEU HG 1 49 GLY H . . 4.870 3.821 1.924 4.964 0.094 20 0 "[ . 1 . 2]" 1
1157 1 49 GLY H 1 50 PRO QD . . 4.570 4.279 3.753 4.378 . 0 0 "[ . 1 . 2]" 1
1158 1 49 GLY QA 1 50 PRO HB3 . . 4.750 4.584 4.579 4.591 . 0 0 "[ . 1 . 2]" 1
1159 1 49 GLY QA 1 50 PRO QD . . 2.950 2.010 1.835 2.035 . 0 0 "[ . 1 . 2]" 1
1160 1 49 GLY QA 1 50 PRO QG . . 4.280 3.692 3.644 3.700 . 0 0 "[ . 1 . 2]" 1
1161 1 49 GLY HA2 1 50 PRO QD . . 3.390 2.317 2.074 2.980 . 0 0 "[ . 1 . 2]" 1
1162 1 49 GLY HA3 1 50 PRO QD . . 3.390 2.274 1.852 2.585 . 0 0 "[ . 1 . 2]" 1
1163 1 50 PRO HA 1 51 GLU H . . 2.950 2.422 2.164 2.581 . 0 0 "[ . 1 . 2]" 1
1164 1 50 PRO HB2 1 51 GLU H . . 3.700 2.588 2.197 3.447 . 0 0 "[ . 1 . 2]" 1
1165 1 50 PRO HB2 1 52 LYS QE . . 4.260 3.842 3.119 4.252 . 0 0 "[ . 1 . 2]" 1
1166 1 50 PRO HB3 1 51 GLU H . . 4.380 3.451 3.260 3.944 . 0 0 "[ . 1 . 2]" 1
1167 1 50 PRO QG 1 52 LYS QE . . 4.450 3.382 2.565 4.458 0.008 20 0 "[ . 1 . 2]" 1
1168 1 51 GLU H 1 51 GLU QB . . 3.550 2.558 2.306 2.995 . 0 0 "[ . 1 . 2]" 1
1169 1 51 GLU H 1 51 GLU HG2 . . 5.070 3.993 2.185 4.711 . 0 0 "[ . 1 . 2]" 1
1170 1 51 GLU H 1 51 GLU QG . . 4.430 3.607 2.152 4.176 . 0 0 "[ . 1 . 2]" 1
1171 1 51 GLU H 1 51 GLU HG3 . . 5.070 4.289 3.220 4.897 . 0 0 "[ . 1 . 2]" 1
1172 1 51 GLU HA 1 52 LYS H . . 3.230 2.220 2.138 2.469 . 0 0 "[ . 1 . 2]" 1
1173 1 51 GLU HA 1 52 LYS HB2 . . 4.530 4.498 4.435 4.552 0.022 20 0 "[ . 1 . 2]" 1
1174 1 51 GLU HA 1 52 LYS QG . . 4.150 3.775 3.363 4.036 . 0 0 "[ . 1 . 2]" 1
1175 1 51 GLU QB 1 52 LYS H . . 4.030 3.365 2.435 3.906 . 0 0 "[ . 1 . 2]" 1
1176 1 51 GLU QG 1 52 LYS H . . 4.190 2.981 2.019 3.984 . 0 0 "[ . 1 . 2]" 1
1177 1 51 GLU HG2 1 52 LYS H . . 5.030 3.506 2.152 4.926 . 0 0 "[ . 1 . 2]" 1
1178 1 51 GLU HG3 1 52 LYS H . . 5.030 3.550 2.288 4.878 . 0 0 "[ . 1 . 2]" 1
1179 1 52 LYS H 1 52 LYS HB2 . . 3.950 2.467 2.319 2.820 . 0 0 "[ . 1 . 2]" 1
1180 1 52 LYS H 1 52 LYS QG . . 4.190 2.752 2.503 3.148 . 0 0 "[ . 1 . 2]" 1
1181 1 52 LYS HA 1 52 LYS HD2 . . 4.620 3.581 3.267 3.770 . 0 0 "[ . 1 . 2]" 1
1182 1 52 LYS HA 1 52 LYS QD . . 3.980 2.153 2.009 2.322 . 0 0 "[ . 1 . 2]" 1
1183 1 52 LYS HA 1 52 LYS HD3 . . 4.620 2.171 2.020 2.350 . 0 0 "[ . 1 . 2]" 1
1184 1 52 LYS HA 1 52 LYS QE . . 4.530 3.689 3.324 4.078 . 0 0 "[ . 1 . 2]" 1
1185 1 52 LYS HA 1 52 LYS QG . . 3.590 2.729 2.595 2.874 . 0 0 "[ . 1 . 2]" 1
1186 1 52 LYS HA 1 53 SER H . . 2.970 2.523 2.400 2.642 . 0 0 "[ . 1 . 2]" 1
1187 1 52 LYS HA 1 53 SER QB . . 4.550 4.237 3.878 4.532 . 0 0 "[ . 1 . 2]" 1
1188 1 52 LYS HB2 1 52 LYS HD2 . . 3.810 3.710 3.581 3.800 . 0 0 "[ . 1 . 2]" 1
1189 1 52 LYS HB2 1 52 LYS HD3 . . 3.810 3.646 3.592 3.734 . 0 0 "[ . 1 . 2]" 1
1190 1 52 LYS HB2 1 52 LYS QE . . 4.590 4.316 4.230 4.444 . 0 0 "[ . 1 . 2]" 1
1191 1 52 LYS HB2 1 53 SER H . . 3.700 3.456 3.265 3.681 . 0 0 "[ . 1 . 2]" 1
1192 1 52 LYS HB3 1 52 LYS QD . . 3.670 2.318 2.259 2.376 . 0 0 "[ . 1 . 2]" 1
1193 1 52 LYS HB3 1 52 LYS QE . . 4.670 4.017 3.951 4.114 . 0 0 "[ . 1 . 2]" 1
1194 1 52 LYS HB3 1 53 SER H . . 3.270 2.177 1.944 2.445 . 0 0 "[ . 1 . 2]" 1
1195 1 52 LYS HD2 1 53 SER H . . 4.690 4.013 3.619 4.292 . 0 0 "[ . 1 . 2]" 1
1196 1 52 LYS HD3 1 53 SER H . . 4.690 3.361 2.949 3.655 . 0 0 "[ . 1 . 2]" 1
1197 1 52 LYS QE 1 52 LYS QG . . 3.070 2.157 2.079 2.264 . 0 0 "[ . 1 . 2]" 1
1198 1 52 LYS QG 1 53 SER H . . 4.640 4.111 3.984 4.301 . 0 0 "[ . 1 . 2]" 1
1199 1 53 SER H 1 53 SER QB . . 3.350 3.139 2.781 3.325 . 0 0 "[ . 1 . 2]" 1
1200 1 53 SER H 1 54 VAL H . . 4.530 4.102 3.896 4.358 . 0 0 "[ . 1 . 2]" 1
1201 1 53 SER HA 1 54 VAL H . . 2.970 2.176 2.139 2.298 . 0 0 "[ . 1 . 2]" 1
1202 1 53 SER HA 1 54 VAL HA . . 4.900 4.412 4.389 4.463 . 0 0 "[ . 1 . 2]" 1
1203 1 53 SER HA 1 54 VAL MG1 . . 4.290 3.695 3.406 3.906 . 0 0 "[ . 1 . 2]" 1
1204 1 53 SER HA 1 54 VAL MG2 . . 4.730 3.647 3.443 3.794 . 0 0 "[ . 1 . 2]" 1
1205 1 53 SER QB 1 54 VAL H . . 3.530 3.166 2.657 3.475 . 0 0 "[ . 1 . 2]" 1
1206 1 53 SER QB 1 54 VAL HA . . 4.930 4.349 4.110 4.585 . 0 0 "[ . 1 . 2]" 1
1207 1 53 SER QB 1 54 VAL MG1 . . 5.080 4.569 4.336 4.875 . 0 0 "[ . 1 . 2]" 1
1208 1 53 SER QB 1 54 VAL MG2 . . 5.500 4.667 4.443 4.947 . 0 0 "[ . 1 . 2]" 1
1209 1 54 VAL H 1 54 VAL HB . . 4.070 3.809 3.721 3.907 . 0 0 "[ . 1 . 2]" 1
1210 1 54 VAL H 1 54 VAL MG1 . . 4.000 2.892 2.714 3.142 . 0 0 "[ . 1 . 2]" 1
1211 1 54 VAL H 1 54 VAL MG2 . . 4.120 2.107 1.905 2.342 . 0 0 "[ . 1 . 2]" 1
1212 1 54 VAL H 1 55 SER H . . 4.540 4.392 4.193 4.533 . 0 0 "[ . 1 . 2]" 1
1213 1 54 VAL HA 1 54 VAL MG1 . . 3.350 2.349 2.235 2.445 . 0 0 "[ . 1 . 2]" 1
1214 1 54 VAL HA 1 55 SER H . . 2.830 2.207 2.147 2.380 . 0 0 "[ . 1 . 2]" 1
1215 1 54 VAL HA 1 55 SER HA . . 4.480 4.355 4.346 4.369 . 0 0 "[ . 1 . 2]" 1
1216 1 54 VAL HA 1 55 SER QB . . 4.290 4.091 4.035 4.286 . 0 0 "[ . 1 . 2]" 1
1217 1 54 VAL HB 1 55 SER H . . 3.540 2.991 2.433 3.291 . 0 0 "[ . 1 . 2]" 1
1218 1 54 VAL HB 1 55 SER QB . . 4.950 4.818 4.653 4.973 0.023 20 0 "[ . 1 . 2]" 1
1219 1 54 VAL HB 1 65 LEU MD2 . . 4.450 3.835 3.601 3.971 . 0 0 "[ . 1 . 2]" 1
1220 1 54 VAL MG1 1 55 SER H . . 4.270 3.874 3.652 4.029 . 0 0 "[ . 1 . 2]" 1
1221 1 54 VAL MG1 1 65 LEU MD1 . . 4.580 4.466 4.159 4.590 0.010 4 0 "[ . 1 . 2]" 1
1222 1 54 VAL MG1 1 65 LEU MD2 . . 3.590 2.418 1.927 2.689 . 0 0 "[ . 1 . 2]" 1
1223 1 54 VAL MG1 1 66 PRO HD2 . . 4.530 3.830 3.026 4.195 . 0 0 "[ . 1 . 2]" 1
1224 1 54 VAL MG2 1 55 SER H . . 4.470 3.808 3.467 3.940 . 0 0 "[ . 1 . 2]" 1
1225 1 54 VAL MG2 1 55 SER HA . . 4.270 4.210 4.044 4.292 0.022 13 0 "[ . 1 . 2]" 1
1226 1 54 VAL MG2 1 55 SER QB . . 5.070 4.990 4.916 5.052 . 0 0 "[ . 1 . 2]" 1
1227 1 54 VAL MG2 1 56 VAL H . . 5.060 4.971 4.705 5.066 0.006 3 0 "[ . 1 . 2]" 1
1228 1 54 VAL MG2 1 65 LEU HA . . 4.630 4.090 4.023 4.159 . 0 0 "[ . 1 . 2]" 1
1229 1 54 VAL MG2 1 65 LEU MD2 . . 3.760 1.866 1.751 1.984 . 0 0 "[ . 1 . 2]" 1
1230 1 54 VAL MG2 1 66 PRO HD2 . . 4.760 4.766 4.695 4.786 0.026 15 0 "[ . 1 . 2]" 1
1231 1 55 SER H 1 55 SER QB . . 3.080 2.324 2.143 2.800 . 0 0 "[ . 1 . 2]" 1
1232 1 55 SER H 1 56 VAL H . . 4.710 4.590 4.552 4.624 . 0 0 "[ . 1 . 2]" 1
1233 1 55 SER H 1 56 VAL MG2 . . 4.550 4.361 4.127 4.548 . 0 0 "[ . 1 . 2]" 1
1234 1 55 SER HA 1 56 VAL H . . 3.070 2.250 2.173 2.316 . 0 0 "[ . 1 . 2]" 1
1235 1 55 SER HA 1 56 VAL HB . . 4.720 4.520 4.353 4.813 0.093 18 0 "[ . 1 . 2]" 1
1236 1 55 SER HA 1 56 VAL MG2 . . 4.130 3.503 3.059 3.779 . 0 0 "[ . 1 . 2]" 1
1237 1 55 SER QB 1 56 VAL H . . 4.010 3.340 2.612 3.678 . 0 0 "[ . 1 . 2]" 1
1238 1 56 VAL H 1 56 VAL HB . . 3.680 2.780 2.662 2.948 . 0 0 "[ . 1 . 2]" 1
1239 1 56 VAL H 1 56 VAL MG1 . . 4.210 3.884 3.779 3.971 . 0 0 "[ . 1 . 2]" 1
1240 1 56 VAL H 1 56 VAL MG2 . . 3.380 2.940 2.445 3.169 . 0 0 "[ . 1 . 2]" 1
1241 1 56 VAL H 1 57 PRO HA . . 5.500 4.946 4.847 5.051 . 0 0 "[ . 1 . 2]" 1
1242 1 56 VAL HB 1 57 PRO HD2 . . 4.680 4.009 3.767 4.225 . 0 0 "[ . 1 . 2]" 1
1243 1 56 VAL MG1 1 57 PRO HA . . 4.510 4.000 3.914 4.316 . 0 0 "[ . 1 . 2]" 1
1244 1 56 VAL MG1 1 57 PRO HB2 . . 4.580 4.340 4.228 4.529 . 0 0 "[ . 1 . 2]" 1
1245 1 56 VAL MG1 1 57 PRO HB3 . . 4.900 4.605 4.499 4.780 . 0 0 "[ . 1 . 2]" 1
1246 1 56 VAL MG1 1 57 PRO HD2 . . 3.140 1.886 1.773 2.167 . 0 0 "[ . 1 . 2]" 1
1247 1 56 VAL MG1 1 57 PRO HD3 . . 3.790 3.228 3.105 3.455 . 0 0 "[ . 1 . 2]" 1
1248 1 56 VAL MG1 1 60 ARG H . . 3.970 3.836 3.475 3.968 . 0 0 "[ . 1 . 2]" 1
1249 1 56 VAL MG1 1 60 ARG HB2 . . 4.450 4.376 4.125 4.460 0.010 18 0 "[ . 1 . 2]" 1
1250 1 56 VAL MG1 1 60 ARG HD2 . . 4.380 3.529 2.800 4.349 . 0 0 "[ . 1 . 2]" 1
1251 1 56 VAL MG1 1 60 ARG QD . . 3.610 2.842 2.325 3.624 0.014 18 0 "[ . 1 . 2]" 1
1252 1 56 VAL MG1 1 60 ARG HD3 . . 4.380 3.387 2.350 4.186 . 0 0 "[ . 1 . 2]" 1
1253 1 56 VAL MG1 1 60 ARG HG2 . . 3.890 2.666 2.409 2.841 . 0 0 "[ . 1 . 2]" 1
1254 1 56 VAL MG1 1 60 ARG HG3 . . 3.890 2.533 2.237 2.704 . 0 0 "[ . 1 . 2]" 1
1255 1 56 VAL MG1 1 61 SER HA . . 4.660 4.020 3.696 4.431 . 0 0 "[ . 1 . 2]" 1
1256 1 56 VAL MG1 1 62 HIS H . . 4.290 3.575 3.174 3.877 . 0 0 "[ . 1 . 2]" 1
1257 1 56 VAL MG1 1 63 VAL HB . . 3.030 2.536 2.201 2.987 . 0 0 "[ . 1 . 2]" 1
1258 1 56 VAL MG2 1 57 PRO HD2 . . 3.960 3.388 3.141 3.739 . 0 0 "[ . 1 . 2]" 1
1259 1 56 VAL MG2 1 57 PRO HD3 . . 4.490 4.138 4.016 4.399 . 0 0 "[ . 1 . 2]" 1
1260 1 56 VAL MG2 1 62 HIS H . . 5.500 5.258 4.861 5.497 . 0 0 "[ . 1 . 2]" 1
1261 1 56 VAL MG2 1 63 VAL HB . . 3.140 2.303 1.984 3.112 . 0 0 "[ . 1 . 2]" 1
1262 1 57 PRO HA 1 58 GLY H . . 3.300 2.288 2.155 3.327 0.027 18 0 "[ . 1 . 2]" 1
1263 1 57 PRO HB2 1 58 GLY H . . 3.970 3.820 3.529 3.938 . 0 0 "[ . 1 . 2]" 1
1264 1 57 PRO HB2 1 59 ALA H . . 4.370 2.917 2.691 3.179 . 0 0 "[ . 1 . 2]" 1
1265 1 57 PRO HB2 1 59 ALA MB . . 4.190 2.576 2.338 2.732 . 0 0 "[ . 1 . 2]" 1
1266 1 57 PRO HB2 1 60 ARG H . . 4.730 3.390 3.239 4.000 . 0 0 "[ . 1 . 2]" 1
1267 1 57 PRO HB2 1 60 ARG HB3 . . 5.500 5.104 4.923 5.489 . 0 0 "[ . 1 . 2]" 1
1268 1 57 PRO HB2 1 60 ARG HD2 . . 5.500 4.682 4.311 5.572 0.072 18 0 "[ . 1 . 2]" 1
1269 1 57 PRO HB2 1 60 ARG HD3 . . 5.500 4.998 3.814 5.544 0.044 9 0 "[ . 1 . 2]" 1
1270 1 57 PRO HB2 1 60 ARG QG . . 4.290 3.645 3.429 4.295 0.005 15 0 "[ . 1 . 2]" 1
1271 1 57 PRO HB3 1 58 GLY H . . 4.420 4.225 4.000 4.491 0.071 15 0 "[ . 1 . 2]" 1
1272 1 57 PRO HB3 1 59 ALA H . . 4.550 4.360 4.199 4.573 0.023 18 0 "[ . 1 . 2]" 1
1273 1 57 PRO HB3 1 59 ALA MB . . 4.300 4.035 3.854 4.306 0.006 18 0 "[ . 1 . 2]" 1
1274 1 57 PRO HB3 1 60 ARG H . . 5.400 4.983 4.874 5.353 . 0 0 "[ . 1 . 2]" 1
1275 1 57 PRO HB3 1 60 ARG QD . . 5.340 4.676 4.097 5.192 . 0 0 "[ . 1 . 2]" 1
1276 1 57 PRO HD2 1 60 ARG H . . 4.870 4.711 4.111 4.892 0.022 8 0 "[ . 1 . 2]" 1
1277 1 57 PRO HD2 1 60 ARG HB3 . . 5.500 5.367 4.769 5.517 0.017 8 0 "[ . 1 . 2]" 1
1278 1 57 PRO HD2 1 60 ARG QD . . 3.950 2.491 2.078 3.438 . 0 0 "[ . 1 . 2]" 1
1279 1 57 PRO HD2 1 60 ARG QG . . 4.240 2.968 2.546 3.092 . 0 0 "[ . 1 . 2]" 1
1280 1 57 PRO HD3 1 60 ARG QD . . 4.280 3.657 3.305 4.281 0.001 6 0 "[ . 1 . 2]" 1
1281 1 57 PRO HD3 1 60 ARG QG . . 4.620 4.294 3.889 4.474 . 0 0 "[ . 1 . 2]" 1
1282 1 57 PRO QG 1 58 GLY H . . 4.790 4.582 3.199 4.755 . 0 0 "[ . 1 . 2]" 1
1283 1 57 PRO QG 1 60 ARG QD . . 4.720 2.082 1.774 2.590 . 0 0 "[ . 1 . 2]" 1
1284 1 58 GLY H 1 59 ALA H . . 3.910 3.033 2.870 3.439 . 0 0 "[ . 1 . 2]" 1
1285 1 58 GLY H 1 59 ALA MB . . 4.660 4.541 4.399 4.714 0.054 18 0 "[ . 1 . 2]" 1
1286 1 58 GLY H 1 60 ARG H . . 4.830 4.601 3.685 4.801 . 0 0 "[ . 1 . 2]" 1
1287 1 58 GLY QA 1 59 ALA MB . . 4.550 4.197 4.143 4.230 . 0 0 "[ . 1 . 2]" 1
1288 1 58 GLY QA 1 60 ARG H . . 5.000 3.861 3.719 3.978 . 0 0 "[ . 1 . 2]" 1
1289 1 59 ALA H 1 59 ALA MB . . 2.970 2.125 2.041 2.246 . 0 0 "[ . 1 . 2]" 1
1290 1 59 ALA H 1 60 ARG H . . 3.370 2.985 2.889 3.072 . 0 0 "[ . 1 . 2]" 1
1291 1 59 ALA H 1 60 ARG QG . . 4.630 4.403 4.212 4.593 . 0 0 "[ . 1 . 2]" 1
1292 1 59 ALA MB 1 60 ARG H . . 3.530 2.557 2.379 2.710 . 0 0 "[ . 1 . 2]" 1
1293 1 60 ARG H 1 60 ARG HB2 . . 3.700 3.698 3.657 3.723 0.023 5 0 "[ . 1 . 2]" 1
1294 1 60 ARG H 1 60 ARG HD2 . . 5.170 4.100 3.773 4.410 . 0 0 "[ . 1 . 2]" 1
1295 1 60 ARG H 1 60 ARG QD . . 4.390 3.710 3.196 3.978 . 0 0 "[ . 1 . 2]" 1
1296 1 60 ARG H 1 60 ARG HD3 . . 5.170 4.307 3.302 4.656 . 0 0 "[ . 1 . 2]" 1
1297 1 60 ARG H 1 60 ARG QG . . 2.820 1.975 1.905 2.129 . 0 0 "[ . 1 . 2]" 1
1298 1 60 ARG HA 1 60 ARG HG2 . . 3.900 3.656 3.615 3.722 . 0 0 "[ . 1 . 2]" 1
1299 1 60 ARG HA 1 60 ARG HG3 . . 3.900 3.872 3.786 3.941 0.041 18 0 "[ . 1 . 2]" 1
1300 1 60 ARG HA 1 61 SER H . . 3.090 2.305 2.179 2.429 . 0 0 "[ . 1 . 2]" 1
1301 1 60 ARG HA 1 61 SER HA . . 4.610 4.394 4.368 4.436 . 0 0 "[ . 1 . 2]" 1
1302 1 60 ARG HA 1 62 HIS H . . 4.430 4.048 3.851 4.236 . 0 0 "[ . 1 . 2]" 1
1303 1 60 ARG HB2 1 60 ARG QD . . 3.720 2.821 2.625 3.055 . 0 0 "[ . 1 . 2]" 1
1304 1 60 ARG HB2 1 61 SER H . . 4.010 2.702 2.385 3.117 . 0 0 "[ . 1 . 2]" 1
1305 1 60 ARG HB2 1 62 HIS H . . 3.500 2.730 2.570 2.887 . 0 0 "[ . 1 . 2]" 1
1306 1 60 ARG HB3 1 61 SER H . . 4.260 3.934 3.752 4.128 . 0 0 "[ . 1 . 2]" 1
1307 1 60 ARG HB3 1 62 HIS H . . 4.410 4.320 4.211 4.414 0.004 11 0 "[ . 1 . 2]" 1
1308 1 60 ARG QD 1 61 SER H . . 5.340 5.131 4.756 5.359 0.019 18 0 "[ . 1 . 2]" 1
1309 1 60 ARG HD2 1 62 HIS H . . 5.500 4.879 4.563 5.183 . 0 0 "[ . 1 . 2]" 1
1310 1 60 ARG HD3 1 62 HIS H . . 5.500 4.650 4.038 5.528 0.028 18 0 "[ . 1 . 2]" 1
1311 1 60 ARG QG 1 61 SER H . . 4.330 3.700 3.468 4.054 . 0 0 "[ . 1 . 2]" 1
1312 1 60 ARG QG 1 62 HIS H . . 3.820 2.489 2.288 2.778 . 0 0 "[ . 1 . 2]" 1
1313 1 60 ARG HG2 1 62 HIS H . . 4.680 4.004 3.830 4.371 . 0 0 "[ . 1 . 2]" 1
1314 1 60 ARG HG3 1 62 HIS H . . 4.680 2.514 2.305 2.810 . 0 0 "[ . 1 . 2]" 1
1315 1 61 SER H 1 62 HIS H . . 3.030 2.611 2.328 2.900 . 0 0 "[ . 1 . 2]" 1
1316 1 61 SER H 1 62 HIS QB . . 4.750 4.281 4.010 4.616 . 0 0 "[ . 1 . 2]" 1
1317 1 62 HIS H 1 62 HIS QB . . 3.680 3.213 3.040 3.354 . 0 0 "[ . 1 . 2]" 1
1318 1 62 HIS H 1 63 VAL H . . 4.600 4.363 4.315 4.416 . 0 0 "[ . 1 . 2]" 1
1319 1 62 HIS H 1 63 VAL MG1 . . 5.500 5.157 4.905 5.502 0.002 19 0 "[ . 1 . 2]" 1
1320 1 62 HIS H 1 63 VAL MG2 . . 5.500 5.435 5.305 5.541 0.041 14 0 "[ . 1 . 2]" 1
1321 1 62 HIS HA 1 63 VAL H . . 2.960 2.358 2.232 2.500 . 0 0 "[ . 1 . 2]" 1
1322 1 62 HIS QB 1 63 VAL H . . 3.270 2.542 2.228 2.914 . 0 0 "[ . 1 . 2]" 1
1323 1 62 HIS QB 1 63 VAL HA . . 4.800 4.103 3.816 4.334 . 0 0 "[ . 1 . 2]" 1
1324 1 62 HIS QB 1 63 VAL MG1 . . 5.500 4.639 4.409 4.864 . 0 0 "[ . 1 . 2]" 1
1325 1 63 VAL H 1 63 VAL HB . . 3.640 3.318 3.177 3.430 . 0 0 "[ . 1 . 2]" 1
1326 1 63 VAL H 1 63 VAL MG1 . . 3.920 2.697 2.515 2.844 . 0 0 "[ . 1 . 2]" 1
1327 1 63 VAL H 1 63 VAL MG2 . . 4.090 4.053 4.026 4.076 . 0 0 "[ . 1 . 2]" 1
1328 1 63 VAL H 1 64 THR H . . 4.670 4.325 4.243 4.385 . 0 0 "[ . 1 . 2]" 1
1329 1 63 VAL H 1 64 THR HA . . 4.860 4.610 4.556 4.669 . 0 0 "[ . 1 . 2]" 1
1330 1 63 VAL HA 1 63 VAL MG1 . . 3.690 3.179 3.165 3.193 . 0 0 "[ . 1 . 2]" 1
1331 1 63 VAL HA 1 63 VAL MG2 . . 3.000 2.176 2.031 2.344 . 0 0 "[ . 1 . 2]" 1
1332 1 63 VAL HA 1 64 THR H . . 2.820 2.353 2.246 2.593 . 0 0 "[ . 1 . 2]" 1
1333 1 63 VAL HA 1 64 THR HB . . 5.100 4.856 4.765 4.939 . 0 0 "[ . 1 . 2]" 1
1334 1 63 VAL HB 1 64 THR H . . 4.020 3.960 3.708 4.087 0.067 11 0 "[ . 1 . 2]" 1
1335 1 63 VAL MG1 1 64 THR H . . 4.000 3.178 2.452 3.622 . 0 0 "[ . 1 . 2]" 1
1336 1 63 VAL MG1 1 65 LEU H . . 4.640 4.339 4.014 4.602 . 0 0 "[ . 1 . 2]" 1
1337 1 63 VAL MG1 1 65 LEU MD2 . . 3.260 2.775 2.497 3.253 . 0 0 "[ . 1 . 2]" 1
1338 1 63 VAL MG1 1 65 LEU HG . . 4.230 3.135 2.877 3.362 . 0 0 "[ . 1 . 2]" 1
1339 1 63 VAL MG2 1 64 THR H . . 2.920 1.881 1.779 1.990 . 0 0 "[ . 1 . 2]" 1
1340 1 63 VAL MG2 1 65 LEU MD2 . . 3.890 3.592 3.180 3.886 . 0 0 "[ . 1 . 2]" 1
1341 1 64 THR H 1 64 THR HB . . 3.040 2.767 2.674 2.957 . 0 0 "[ . 1 . 2]" 1
1342 1 64 THR H 1 65 LEU H . . 4.760 4.462 4.339 4.537 . 0 0 "[ . 1 . 2]" 1
1343 1 64 THR H 1 65 LEU HG . . 5.070 5.000 4.784 5.094 0.024 4 0 "[ . 1 . 2]" 1
1344 1 64 THR HA 1 64 THR MG . . 3.130 2.270 2.154 2.357 . 0 0 "[ . 1 . 2]" 1
1345 1 64 THR HA 1 65 LEU H . . 3.070 2.197 2.163 2.238 . 0 0 "[ . 1 . 2]" 1
1346 1 64 THR HA 1 65 LEU MD1 . . 5.440 4.687 4.489 4.936 . 0 0 "[ . 1 . 2]" 1
1347 1 64 THR HB 1 65 LEU H . . 4.490 3.884 3.752 3.989 . 0 0 "[ . 1 . 2]" 1
1348 1 64 THR MG 1 65 LEU H . . 3.300 2.220 1.943 2.420 . 0 0 "[ . 1 . 2]" 1
1349 1 64 THR MG 1 65 LEU HA . . 4.210 4.015 3.877 4.113 . 0 0 "[ . 1 . 2]" 1
1350 1 64 THR MG 1 68 LEU MD1 . . 4.290 4.142 3.919 4.300 0.010 7 0 "[ . 1 . 2]" 1
1351 1 65 LEU H 1 65 LEU HB2 . . 3.810 2.593 2.512 2.682 . 0 0 "[ . 1 . 2]" 1
1352 1 65 LEU H 1 65 LEU HB3 . . 4.140 3.706 3.676 3.763 . 0 0 "[ . 1 . 2]" 1
1353 1 65 LEU H 1 65 LEU MD1 . . 4.280 3.574 3.435 3.798 . 0 0 "[ . 1 . 2]" 1
1354 1 65 LEU H 1 65 LEU MD2 . . 4.180 3.820 3.658 3.971 . 0 0 "[ . 1 . 2]" 1
1355 1 65 LEU H 1 65 LEU HG . . 3.750 2.598 2.471 2.876 . 0 0 "[ . 1 . 2]" 1
1356 1 65 LEU H 1 66 PRO HD3 . . 5.400 4.043 3.937 4.120 . 0 0 "[ . 1 . 2]" 1
1357 1 65 LEU H 1 68 LEU MD1 . . 4.600 3.723 3.569 3.984 . 0 0 "[ . 1 . 2]" 1
1358 1 65 LEU HA 1 65 LEU MD1 . . 4.360 3.952 3.910 3.976 . 0 0 "[ . 1 . 2]" 1
1359 1 65 LEU HA 1 65 LEU MD2 . . 3.360 2.388 2.110 2.569 . 0 0 "[ . 1 . 2]" 1
1360 1 65 LEU HA 1 66 PRO HD2 . . 3.270 1.919 1.915 1.925 . 0 0 "[ . 1 . 2]" 1
1361 1 65 LEU HA 1 66 PRO HD3 . . 3.250 2.575 2.549 2.605 . 0 0 "[ . 1 . 2]" 1
1362 1 65 LEU HA 1 66 PRO HG2 . . 4.610 4.115 4.114 4.117 . 0 0 "[ . 1 . 2]" 1
1363 1 65 LEU HA 1 66 PRO HG3 . . 4.650 4.422 4.406 4.441 . 0 0 "[ . 1 . 2]" 1
1364 1 65 LEU HB2 1 65 LEU MD1 . . 3.350 2.180 2.000 2.284 . 0 0 "[ . 1 . 2]" 1
1365 1 65 LEU HB2 1 68 LEU MD1 . . 3.580 2.323 2.003 2.597 . 0 0 "[ . 1 . 2]" 1
1366 1 65 LEU HB2 1 68 LEU MD2 . . 4.400 3.583 3.264 3.899 . 0 0 "[ . 1 . 2]" 1
1367 1 65 LEU HB2 1 68 LEU HG . . 4.920 3.481 3.241 3.704 . 0 0 "[ . 1 . 2]" 1
1368 1 65 LEU HB3 1 65 LEU MD1 . . 3.370 2.532 2.418 2.671 . 0 0 "[ . 1 . 2]" 1
1369 1 65 LEU HB3 1 65 LEU MD2 . . 3.340 2.156 2.050 2.307 . 0 0 "[ . 1 . 2]" 1
1370 1 65 LEU HB3 1 66 PRO HD2 . . 4.610 3.750 3.707 3.845 . 0 0 "[ . 1 . 2]" 1
1371 1 65 LEU HB3 1 66 PRO HD3 . . 4.730 4.767 4.741 4.813 0.083 14 0 "[ . 1 . 2]" 1
1372 1 65 LEU HB3 1 68 LEU HG . . 4.640 3.691 3.407 4.036 . 0 0 "[ . 1 . 2]" 1
1373 1 65 LEU HB3 1 76 VAL QG . . 5.440 5.008 4.798 5.168 . 0 0 "[ . 1 . 2]" 1
1374 1 65 LEU MD1 1 76 VAL HA . . 5.500 3.980 3.687 4.213 . 0 0 "[ . 1 . 2]" 1
1375 1 65 LEU MD1 1 76 VAL HB . . 5.130 4.615 4.352 4.837 . 0 0 "[ . 1 . 2]" 1
1376 1 65 LEU MD1 1 76 VAL MG1 . . 3.440 2.929 2.607 3.282 . 0 0 "[ . 1 . 2]" 1
1377 1 65 LEU MD1 1 76 VAL QG . . 2.780 2.148 1.876 2.353 . 0 0 "[ . 1 . 2]" 1
1378 1 65 LEU MD1 1 76 VAL MG2 . . 3.440 2.219 1.889 2.442 . 0 0 "[ . 1 . 2]" 1
1379 1 65 LEU MD2 1 66 PRO HD2 . . 4.170 3.529 3.266 3.696 . 0 0 "[ . 1 . 2]" 1
1380 1 65 LEU MD2 1 66 PRO HD3 . . 4.820 4.447 4.213 4.638 . 0 0 "[ . 1 . 2]" 1
1381 1 66 PRO HB2 1 67 ASP H . . 3.480 2.349 2.195 2.525 . 0 0 "[ . 1 . 2]" 1
1382 1 66 PRO HB2 1 67 ASP HA . . 4.470 4.200 4.157 4.277 . 0 0 "[ . 1 . 2]" 1
1383 1 66 PRO HB3 1 67 ASP H . . 3.750 3.326 3.257 3.409 . 0 0 "[ . 1 . 2]" 1
1384 1 66 PRO HB3 1 67 ASP HA . . 5.500 5.528 5.506 5.567 0.067 14 0 "[ . 1 . 2]" 1
1385 1 66 PRO HD3 1 67 ASP H . . 5.500 5.473 5.427 5.518 0.018 14 0 "[ . 1 . 2]" 1
1386 1 66 PRO HG2 1 67 ASP H . . 4.690 4.210 4.074 4.355 . 0 0 "[ . 1 . 2]" 1
1387 1 66 PRO HG2 1 67 ASP QB . . 4.560 3.884 3.599 4.542 . 0 0 "[ . 1 . 2]" 1
1388 1 66 PRO HG3 1 67 ASP H . . 5.180 4.888 4.765 5.023 . 0 0 "[ . 1 . 2]" 1
1389 1 67 ASP H 1 67 ASP HB2 . . 4.130 3.416 3.049 4.049 . 0 0 "[ . 1 . 2]" 1
1390 1 67 ASP H 1 67 ASP HB3 . . 4.130 3.861 3.285 4.084 . 0 0 "[ . 1 . 2]" 1
1391 1 67 ASP H 1 68 LEU H . . 3.690 2.875 2.759 2.993 . 0 0 "[ . 1 . 2]" 1
1392 1 67 ASP HA 1 68 LEU H . . 3.190 2.629 2.614 2.670 . 0 0 "[ . 1 . 2]" 1
1393 1 67 ASP HA 1 68 LEU MD2 . . 5.500 5.366 5.234 5.490 . 0 0 "[ . 1 . 2]" 1
1394 1 67 ASP HA 1 68 LEU HG . . 5.500 5.168 5.035 5.325 . 0 0 "[ . 1 . 2]" 1
1395 1 67 ASP QB 1 68 LEU H . . 4.360 3.940 3.902 4.020 . 0 0 "[ . 1 . 2]" 1
1396 1 67 ASP HB2 1 68 LEU H . . 5.240 4.456 4.332 4.656 . 0 0 "[ . 1 . 2]" 1
1397 1 67 ASP HB3 1 68 LEU H . . 5.240 4.402 4.319 4.646 . 0 0 "[ . 1 . 2]" 1
1398 1 68 LEU H 1 68 LEU HB2 . . 3.610 2.393 2.324 2.469 . 0 0 "[ . 1 . 2]" 1
1399 1 68 LEU H 1 68 LEU HB3 . . 3.910 3.604 3.548 3.655 . 0 0 "[ . 1 . 2]" 1
1400 1 68 LEU H 1 68 LEU MD1 . . 4.240 4.156 4.056 4.251 0.011 15 0 "[ . 1 . 2]" 1
1401 1 68 LEU H 1 68 LEU MD2 . . 4.100 4.020 3.934 4.132 0.032 11 0 "[ . 1 . 2]" 1
1402 1 68 LEU H 1 68 LEU HG . . 3.460 3.367 3.266 3.449 . 0 0 "[ . 1 . 2]" 1
1403 1 68 LEU HA 1 68 LEU MD1 . . 3.950 3.808 3.771 3.838 . 0 0 "[ . 1 . 2]" 1
1404 1 68 LEU HA 1 68 LEU MD2 . . 3.050 1.974 1.920 2.111 . 0 0 "[ . 1 . 2]" 1
1405 1 68 LEU HA 1 68 LEU HG . . 4.060 2.927 2.861 2.996 . 0 0 "[ . 1 . 2]" 1
1406 1 68 LEU HA 1 69 GLN H . . 3.490 2.454 2.345 2.635 . 0 0 "[ . 1 . 2]" 1
1407 1 68 LEU HA 1 69 GLN QG . . 4.790 3.755 3.312 4.049 . 0 0 "[ . 1 . 2]" 1
1408 1 68 LEU HA 1 74 TYR QE . . 4.920 3.935 3.590 4.190 . 0 0 "[ . 1 . 2]" 1
1409 1 68 LEU HB2 1 68 LEU MD1 . . 3.670 2.351 2.179 2.458 . 0 0 "[ . 1 . 2]" 1
1410 1 68 LEU HB2 1 69 GLN H . . 4.220 3.729 3.450 3.914 . 0 0 "[ . 1 . 2]" 1
1411 1 68 LEU HB2 1 74 TYR QE . . 5.500 5.181 4.931 5.388 . 0 0 "[ . 1 . 2]" 1
1412 1 68 LEU HB3 1 68 LEU MD1 . . 3.000 2.334 2.231 2.452 . 0 0 "[ . 1 . 2]" 1
1413 1 68 LEU HB3 1 69 GLN H . . 3.600 2.333 1.952 2.577 . 0 0 "[ . 1 . 2]" 1
1414 1 68 LEU HB3 1 69 GLN HB2 . . 4.970 4.580 4.224 4.804 . 0 0 "[ . 1 . 2]" 1
1415 1 68 LEU HB3 1 69 GLN QG . . 5.380 4.857 4.428 5.100 . 0 0 "[ . 1 . 2]" 1
1416 1 68 LEU HB3 1 74 TYR QE . . 4.150 3.678 3.272 4.033 . 0 0 "[ . 1 . 2]" 1
1417 1 68 LEU MD1 1 69 GLN H . . 4.400 4.115 3.731 4.387 . 0 0 "[ . 1 . 2]" 1
1418 1 68 LEU MD1 1 74 TYR QB . . 4.770 3.630 3.315 3.980 . 0 0 "[ . 1 . 2]" 1
1419 1 68 LEU MD1 1 74 TYR QE . . 4.020 3.891 3.638 4.027 0.007 11 0 "[ . 1 . 2]" 1
1420 1 68 LEU MD1 1 76 VAL QG . . 4.730 4.509 4.235 4.643 . 0 0 "[ . 1 . 2]" 1
1421 1 68 LEU MD1 1 96 THR HB . . 5.500 4.591 4.269 4.901 . 0 0 "[ . 1 . 2]" 1
1422 1 68 LEU MD1 1 96 THR HG1 . . 5.110 4.982 4.840 5.113 0.003 14 0 "[ . 1 . 2]" 1
1423 1 68 LEU MD1 1 96 THR MG . . 3.030 2.410 2.178 2.643 . 0 0 "[ . 1 . 2]" 1
1424 1 68 LEU MD2 1 69 GLN H . . 4.030 2.713 2.486 2.962 . 0 0 "[ . 1 . 2]" 1
1425 1 68 LEU MD2 1 69 GLN HA . . 5.500 5.158 5.027 5.311 . 0 0 "[ . 1 . 2]" 1
1426 1 68 LEU MD2 1 69 GLN HB2 . . 4.800 4.411 4.144 4.701 . 0 0 "[ . 1 . 2]" 1
1427 1 68 LEU MD2 1 69 GLN QG . . 5.490 4.303 3.872 4.750 . 0 0 "[ . 1 . 2]" 1
1428 1 68 LEU MD2 1 74 TYR QE . . 3.900 2.440 1.941 2.740 . 0 0 "[ . 1 . 2]" 1
1429 1 68 LEU HG 1 69 GLN H . . 4.810 4.616 4.481 4.714 . 0 0 "[ . 1 . 2]" 1
1430 1 69 GLN H 1 69 GLN HB2 . . 3.740 2.413 2.289 2.607 . 0 0 "[ . 1 . 2]" 1
1431 1 69 GLN H 1 69 GLN HB3 . . 3.890 3.626 3.547 3.731 . 0 0 "[ . 1 . 2]" 1
1432 1 69 GLN H 1 69 GLN QG . . 3.580 2.830 2.397 3.172 . 0 0 "[ . 1 . 2]" 1
1433 1 69 GLN H 1 72 THR HB . . 4.920 4.278 3.801 4.521 . 0 0 "[ . 1 . 2]" 1
1434 1 69 GLN H 1 74 TYR QE . . 4.120 3.007 2.303 3.501 . 0 0 "[ . 1 . 2]" 1
1435 1 69 GLN H 1 96 THR MG . . 4.050 3.455 2.736 3.810 . 0 0 "[ . 1 . 2]" 1
1436 1 69 GLN HA 1 69 GLN QG . . 3.380 2.524 2.235 2.865 . 0 0 "[ . 1 . 2]" 1
1437 1 69 GLN HA 1 70 ALA H . . 2.790 2.629 2.531 2.658 . 0 0 "[ . 1 . 2]" 1
1438 1 69 GLN HA 1 70 ALA MB . . 4.200 3.947 3.885 4.069 . 0 0 "[ . 1 . 2]" 1
1439 1 69 GLN HA 1 96 THR MG . . 5.500 5.029 4.423 5.256 . 0 0 "[ . 1 . 2]" 1
1440 1 69 GLN HB2 1 70 ALA H . . 4.050 3.305 3.043 3.615 . 0 0 "[ . 1 . 2]" 1
1441 1 69 GLN HB2 1 72 THR HB . . 3.800 2.844 2.080 3.394 . 0 0 "[ . 1 . 2]" 1
1442 1 69 GLN HB2 1 72 THR HG1 . . 5.060 3.793 2.906 4.997 . 0 0 "[ . 1 . 2]" 1
1443 1 69 GLN HB2 1 72 THR MG . . 4.000 3.532 3.013 3.900 . 0 0 "[ . 1 . 2]" 1
1444 1 69 GLN HB2 1 74 TYR QE . . 4.550 3.278 2.495 3.912 . 0 0 "[ . 1 . 2]" 1
1445 1 69 GLN HB3 1 70 ALA H . . 3.750 1.980 1.906 2.171 . 0 0 "[ . 1 . 2]" 1
1446 1 69 GLN HB3 1 70 ALA MB . . 4.130 4.022 3.889 4.125 . 0 0 "[ . 1 . 2]" 1
1447 1 69 GLN HB3 1 72 THR HB . . 4.310 3.693 3.053 4.284 . 0 0 "[ . 1 . 2]" 1
1448 1 69 GLN HB3 1 72 THR HG1 . . 5.500 3.746 2.963 4.974 . 0 0 "[ . 1 . 2]" 1
1449 1 69 GLN HB3 1 72 THR MG . . 4.840 4.456 3.894 4.820 . 0 0 "[ . 1 . 2]" 1
1450 1 69 GLN HB3 1 74 TYR QE . . 5.150 4.693 3.984 5.178 0.028 15 0 "[ . 1 . 2]" 1
1451 1 69 GLN QG 1 70 ALA H . . 3.910 3.822 3.601 3.910 . 0 0 "[ . 1 . 2]" 1
1452 1 69 GLN QG 1 70 ALA MB . . 5.430 5.230 5.037 5.369 . 0 0 "[ . 1 . 2]" 1
1453 1 69 GLN QG 1 72 THR HB . . 5.070 4.552 3.242 5.034 . 0 0 "[ . 1 . 2]" 1
1454 1 69 GLN QG 1 72 THR MG . . 4.910 4.379 3.397 4.915 0.005 15 0 "[ . 1 . 2]" 1
1455 1 69 GLN QG 1 96 THR MG . . 5.500 5.393 4.757 5.509 0.009 13 0 "[ . 1 . 2]" 1
1456 1 70 ALA H 1 70 ALA MB . . 2.920 2.344 2.277 2.454 . 0 0 "[ . 1 . 2]" 1
1457 1 70 ALA MB 1 71 ALA H . . 3.430 2.770 2.465 3.094 . 0 0 "[ . 1 . 2]" 1
1458 1 70 ALA MB 1 72 THR H . . 5.480 4.701 4.297 5.084 . 0 0 "[ . 1 . 2]" 1
1459 1 70 ALA MB 1 96 THR HG1 . . 4.390 4.112 3.863 4.319 . 0 0 "[ . 1 . 2]" 1
1460 1 70 ALA MB 1 99 PRO HA . . 4.660 3.982 2.604 4.689 0.029 18 0 "[ . 1 . 2]" 1
1461 1 70 ALA MB 1 99 PRO QB . . 4.230 3.368 2.281 3.906 . 0 0 "[ . 1 . 2]" 1
1462 1 70 ALA MB 1 99 PRO HD2 . . 3.850 3.212 2.259 3.699 . 0 0 "[ . 1 . 2]" 1
1463 1 70 ALA MB 1 99 PRO QD . . 3.240 1.971 1.748 2.171 . 0 0 "[ . 1 . 2]" 1
1464 1 70 ALA MB 1 99 PRO HD3 . . 3.850 1.992 1.820 2.186 . 0 0 "[ . 1 . 2]" 1
1465 1 70 ALA MB 1 99 PRO QG . . 3.770 3.167 2.722 3.488 . 0 0 "[ . 1 . 2]" 1
1466 1 71 ALA H 1 71 ALA MB . . 3.240 2.805 2.502 2.933 . 0 0 "[ . 1 . 2]" 1
1467 1 71 ALA H 1 72 THR H . . 4.060 2.860 2.586 3.287 . 0 0 "[ . 1 . 2]" 1
1468 1 71 ALA H 1 96 THR H . . 4.900 4.347 4.006 4.946 0.046 11 0 "[ . 1 . 2]" 1
1469 1 71 ALA H 1 96 THR HG1 . . 3.790 3.094 2.668 3.525 . 0 0 "[ . 1 . 2]" 1
1470 1 71 ALA HA 1 72 THR H . . 3.360 2.715 2.447 2.903 . 0 0 "[ . 1 . 2]" 1
1471 1 71 ALA HA 1 72 THR HA . . 4.720 4.353 4.328 4.408 . 0 0 "[ . 1 . 2]" 1
1472 1 71 ALA HA 1 95 GLN QE . . 4.230 2.710 1.890 3.937 . 0 0 "[ . 1 . 2]" 1
1473 1 71 ALA HA 1 95 GLN HG2 . . 4.420 3.204 2.621 3.832 . 0 0 "[ . 1 . 2]" 1
1474 1 71 ALA HA 1 95 GLN QG . . 3.780 2.908 2.522 3.268 . 0 0 "[ . 1 . 2]" 1
1475 1 71 ALA HA 1 95 GLN HG3 . . 4.420 3.476 2.779 3.975 . 0 0 "[ . 1 . 2]" 1
1476 1 71 ALA HA 1 96 THR H . . 4.410 4.117 3.389 4.403 . 0 0 "[ . 1 . 2]" 1
1477 1 71 ALA HA 1 96 THR HG1 . . 4.530 4.302 3.999 4.536 0.006 14 0 "[ . 1 . 2]" 1
1478 1 71 ALA MB 1 72 THR H . . 3.920 3.700 3.639 3.718 . 0 0 "[ . 1 . 2]" 1
1479 1 71 ALA MB 1 95 GLN HE21 . . 4.890 3.373 2.645 4.118 . 0 0 "[ . 1 . 2]" 1
1480 1 71 ALA MB 1 95 GLN QE . . 4.180 3.241 2.525 3.864 . 0 0 "[ . 1 . 2]" 1
1481 1 71 ALA MB 1 95 GLN HE22 . . 4.890 4.240 3.196 4.893 0.003 7 0 "[ . 1 . 2]" 1
1482 1 71 ALA MB 1 95 GLN QG . . 4.720 4.034 3.572 4.398 . 0 0 "[ . 1 . 2]" 1
1483 1 71 ALA MB 1 98 CYS H . . 5.500 4.949 4.220 5.506 0.006 15 0 "[ . 1 . 2]" 1
1484 1 71 ALA MB 1 98 CYS HB2 . . 4.590 3.791 2.695 4.592 0.002 20 0 "[ . 1 . 2]" 1
1485 1 71 ALA MB 1 98 CYS QB . . 3.880 3.280 2.305 3.876 . 0 0 "[ . 1 . 2]" 1
1486 1 71 ALA MB 1 98 CYS HB3 . . 4.590 3.785 2.480 4.575 . 0 0 "[ . 1 . 2]" 1
1487 1 71 ALA MB 1 99 PRO QD . . 3.630 3.046 2.141 3.624 . 0 0 "[ . 1 . 2]" 1
1488 1 72 THR H 1 72 THR HB . . 3.600 2.940 2.719 3.064 . 0 0 "[ . 1 . 2]" 1
1489 1 72 THR H 1 72 THR HG1 . . 4.780 3.802 2.960 4.561 . 0 0 "[ . 1 . 2]" 1
1490 1 72 THR H 1 72 THR MG . . 4.110 3.950 3.830 3.995 . 0 0 "[ . 1 . 2]" 1
1491 1 72 THR H 1 74 TYR QE . . 4.620 3.933 3.251 4.489 . 0 0 "[ . 1 . 2]" 1
1492 1 72 THR H 1 95 GLN HA . . 4.430 4.039 3.584 4.323 . 0 0 "[ . 1 . 2]" 1
1493 1 72 THR H 1 95 GLN HG2 . . 4.710 3.769 2.784 4.428 . 0 0 "[ . 1 . 2]" 1
1494 1 72 THR H 1 95 GLN QG . . 4.070 3.214 2.572 3.700 . 0 0 "[ . 1 . 2]" 1
1495 1 72 THR H 1 95 GLN HG3 . . 4.710 3.617 2.911 4.714 0.004 7 0 "[ . 1 . 2]" 1
1496 1 72 THR H 1 96 THR H . . 3.560 2.546 2.085 2.877 . 0 0 "[ . 1 . 2]" 1
1497 1 72 THR H 1 96 THR HB . . 4.240 3.880 3.605 4.228 . 0 0 "[ . 1 . 2]" 1
1498 1 72 THR H 1 96 THR HG1 . . 3.340 2.232 1.901 2.610 . 0 0 "[ . 1 . 2]" 1
1499 1 72 THR H 1 96 THR MG . . 4.090 3.591 3.227 3.924 . 0 0 "[ . 1 . 2]" 1
1500 1 72 THR HA 1 72 THR MG . . 2.970 2.412 2.280 2.508 . 0 0 "[ . 1 . 2]" 1
1501 1 72 THR HA 1 73 LYS H . . 3.120 2.183 2.142 2.236 . 0 0 "[ . 1 . 2]" 1
1502 1 72 THR HA 1 73 LYS QB . . 4.580 4.262 4.159 4.579 . 0 0 "[ . 1 . 2]" 1
1503 1 72 THR HA 1 73 LYS QD . . 4.960 3.265 2.909 4.761 . 0 0 "[ . 1 . 2]" 1
1504 1 72 THR HA 1 73 LYS QG . . 5.330 4.958 3.441 5.235 . 0 0 "[ . 1 . 2]" 1
1505 1 72 THR HB 1 73 LYS H . . 4.810 4.221 3.891 4.461 . 0 0 "[ . 1 . 2]" 1
1506 1 72 THR HB 1 74 TYR QE . . 3.370 2.521 2.001 2.811 . 0 0 "[ . 1 . 2]" 1
1507 1 72 THR HB 1 96 THR H . . 4.970 4.609 4.136 4.980 0.010 4 0 "[ . 1 . 2]" 1
1508 1 72 THR HB 1 96 THR HG1 . . 4.210 3.106 2.699 3.365 . 0 0 "[ . 1 . 2]" 1
1509 1 72 THR HB 1 96 THR MG . . 4.550 3.839 3.258 4.225 . 0 0 "[ . 1 . 2]" 1
1510 1 72 THR MG 1 73 LYS H . . 3.440 2.660 1.899 3.162 . 0 0 "[ . 1 . 2]" 1
1511 1 72 THR MG 1 73 LYS QB . . 4.610 4.095 3.474 4.509 . 0 0 "[ . 1 . 2]" 1
1512 1 72 THR MG 1 73 LYS QD . . 4.220 3.331 2.690 4.161 . 0 0 "[ . 1 . 2]" 1
1513 1 72 THR MG 1 74 TYR H . . 5.150 4.978 4.572 5.150 . 0 0 "[ . 1 . 2]" 1
1514 1 72 THR MG 1 74 TYR QE . . 3.720 2.944 2.654 3.216 . 0 0 "[ . 1 . 2]" 1
1515 1 73 LYS H 1 73 LYS HB2 . . 3.870 3.023 2.194 3.594 . 0 0 "[ . 1 . 2]" 1
1516 1 73 LYS H 1 73 LYS QB . . 3.360 2.270 2.172 2.610 . 0 0 "[ . 1 . 2]" 1
1517 1 73 LYS H 1 73 LYS HB3 . . 3.870 2.811 2.224 3.569 . 0 0 "[ . 1 . 2]" 1
1518 1 73 LYS H 1 73 LYS QD . . 4.540 2.121 1.767 3.415 . 0 0 "[ . 1 . 2]" 1
1519 1 73 LYS H 1 73 LYS QG . . 4.020 3.377 1.833 3.743 . 0 0 "[ . 1 . 2]" 1
1520 1 73 LYS QB 1 73 LYS QD . . 3.410 2.401 2.134 2.653 . 0 0 "[ . 1 . 2]" 1
1521 1 73 LYS QB 1 73 LYS QE . . 4.510 2.754 2.035 3.747 . 0 0 "[ . 1 . 2]" 1
1522 1 73 LYS QB 1 95 GLN HA . . 5.100 2.948 2.162 4.237 . 0 0 "[ . 1 . 2]" 1
1523 1 73 LYS HB2 1 74 TYR H . . 4.390 2.946 2.158 4.134 . 0 0 "[ . 1 . 2]" 1
1524 1 73 LYS HB3 1 74 TYR H . . 4.390 3.250 2.208 3.966 . 0 0 "[ . 1 . 2]" 1
1525 1 73 LYS QD 1 74 TYR QE . . 5.500 5.493 5.419 5.524 0.024 11 0 "[ . 1 . 2]" 1
1526 1 73 LYS QD 1 93 THR HB . . 4.690 4.343 2.465 4.697 0.007 17 0 "[ . 1 . 2]" 1
1527 1 73 LYS QD 1 95 GLN H . . 5.500 4.767 3.542 5.527 0.027 6 0 "[ . 1 . 2]" 1
1528 1 73 LYS QE 1 93 THR HB . . 4.550 4.093 3.508 4.550 0.000 20 0 "[ . 1 . 2]" 1
1529 1 73 LYS QE 1 93 THR MG . . 4.400 3.972 3.150 4.408 0.008 14 0 "[ . 1 . 2]" 1
1530 1 73 LYS QG 1 93 THR HB . . 3.700 2.354 1.971 2.933 . 0 0 "[ . 1 . 2]" 1
1531 1 73 LYS QG 1 94 GLY H . . 4.450 3.652 3.086 4.449 . 0 0 "[ . 1 . 2]" 1
1532 1 73 LYS QG 1 94 GLY HA2 . . 5.340 4.743 3.917 5.359 0.019 5 0 "[ . 1 . 2]" 1
1533 1 73 LYS QG 1 95 GLN H . . 5.040 3.868 2.523 4.903 . 0 0 "[ . 1 . 2]" 1
1534 1 73 LYS QG 1 95 GLN QB . . 5.180 3.827 2.280 4.860 . 0 0 "[ . 1 . 2]" 1
1535 1 73 LYS HG2 1 74 TYR H . . 4.620 3.535 2.519 4.646 0.026 11 0 "[ . 1 . 2]" 1
1536 1 73 LYS HG2 1 93 THR HB . . 4.330 3.030 2.630 3.619 . 0 0 "[ . 1 . 2]" 1
1537 1 73 LYS HG2 1 95 GLN HA . . 4.810 4.592 4.146 4.830 0.020 4 0 "[ . 1 . 2]" 1
1538 1 73 LYS HG3 1 74 TYR H . . 4.620 3.781 3.352 4.545 . 0 0 "[ . 1 . 2]" 1
1539 1 73 LYS HG3 1 93 THR HB . . 4.330 2.679 1.996 4.339 0.009 5 0 "[ . 1 . 2]" 1
1540 1 73 LYS HG3 1 95 GLN HA . . 4.810 3.861 2.426 4.787 . 0 0 "[ . 1 . 2]" 1
1541 1 74 TYR H 1 74 TYR QB . . 3.530 2.754 2.623 2.891 . 0 0 "[ . 1 . 2]" 1
1542 1 74 TYR H 1 74 TYR QD . . 4.230 3.152 2.657 3.571 . 0 0 "[ . 1 . 2]" 1
1543 1 74 TYR H 1 76 VAL QG . . 5.440 4.491 4.267 4.970 . 0 0 "[ . 1 . 2]" 1
1544 1 74 TYR H 1 93 THR HA . . 4.780 3.248 2.965 3.536 . 0 0 "[ . 1 . 2]" 1
1545 1 74 TYR H 1 93 THR MG . . 4.310 4.081 3.555 4.316 0.006 7 0 "[ . 1 . 2]" 1
1546 1 74 TYR H 1 94 GLY H . . 3.770 2.197 1.884 2.562 . 0 0 "[ . 1 . 2]" 1
1547 1 74 TYR H 1 95 GLN HA . . 4.280 4.208 3.863 4.332 0.052 5 0 "[ . 1 . 2]" 1
1548 1 74 TYR H 1 96 THR H . . 5.500 5.257 4.802 5.524 0.024 11 0 "[ . 1 . 2]" 1
1549 1 74 TYR QB 1 75 ARG H . . 4.010 3.476 3.254 3.667 . 0 0 "[ . 1 . 2]" 1
1550 1 74 TYR QB 1 76 VAL QG . . 3.760 2.971 2.835 3.139 . 0 0 "[ . 1 . 2]" 1
1551 1 74 TYR QB 1 94 GLY H . . 4.820 3.941 3.346 4.367 . 0 0 "[ . 1 . 2]" 1
1552 1 74 TYR QB 1 96 THR MG . . 5.500 4.003 3.724 4.296 . 0 0 "[ . 1 . 2]" 1
1553 1 74 TYR QD 1 76 VAL QG . . 4.900 4.598 4.418 4.745 . 0 0 "[ . 1 . 2]" 1
1554 1 74 TYR QD 1 95 GLN HA . . 4.910 4.374 3.540 4.892 . 0 0 "[ . 1 . 2]" 1
1555 1 74 TYR QD 1 96 THR H . . 4.950 3.998 3.385 4.466 . 0 0 "[ . 1 . 2]" 1
1556 1 74 TYR QE 1 96 THR H . . 5.140 4.253 3.124 5.023 . 0 0 "[ . 1 . 2]" 1
1557 1 74 TYR QE 1 96 THR HG1 . . 4.180 3.077 2.511 3.544 . 0 0 "[ . 1 . 2]" 1
1558 1 74 TYR QE 1 96 THR MG . . 3.380 2.328 1.954 2.837 . 0 0 "[ . 1 . 2]" 1
1559 1 75 ARG H 1 75 ARG HB2 . . 4.130 2.219 2.142 2.272 . 0 0 "[ . 1 . 2]" 1
1560 1 75 ARG H 1 75 ARG QB . . 3.520 2.151 2.098 2.187 . 0 0 "[ . 1 . 2]" 1
1561 1 75 ARG H 1 75 ARG HB3 . . 4.130 2.895 2.851 3.003 . 0 0 "[ . 1 . 2]" 1
1562 1 75 ARG HA 1 75 ARG HD2 . . 5.350 4.446 4.373 4.508 . 0 0 "[ . 1 . 2]" 1
1563 1 75 ARG HA 1 75 ARG QD . . 4.570 4.035 3.976 4.095 . 0 0 "[ . 1 . 2]" 1
1564 1 75 ARG HA 1 75 ARG HD3 . . 5.350 4.627 4.459 4.699 . 0 0 "[ . 1 . 2]" 1
1565 1 75 ARG HA 1 75 ARG HG2 . . 3.920 2.588 2.460 2.745 . 0 0 "[ . 1 . 2]" 1
1566 1 75 ARG HA 1 75 ARG QG . . 3.420 2.307 2.279 2.318 . 0 0 "[ . 1 . 2]" 1
1567 1 75 ARG HA 1 75 ARG HG3 . . 3.920 2.607 2.472 2.735 . 0 0 "[ . 1 . 2]" 1
1568 1 75 ARG HA 1 76 VAL H . . 2.980 2.206 2.167 2.251 . 0 0 "[ . 1 . 2]" 1
1569 1 75 ARG HA 1 92 ALA H . . 4.590 3.122 2.946 3.368 . 0 0 "[ . 1 . 2]" 1
1570 1 75 ARG HA 1 93 THR H . . 4.870 4.389 3.990 4.677 . 0 0 "[ . 1 . 2]" 1
1571 1 75 ARG HA 1 93 THR HA . . 3.360 2.786 2.325 3.020 . 0 0 "[ . 1 . 2]" 1
1572 1 75 ARG HA 1 93 THR HB . . 5.110 4.809 4.400 5.118 0.008 15 0 "[ . 1 . 2]" 1
1573 1 75 ARG HA 1 93 THR MG . . 3.420 2.639 2.320 2.975 . 0 0 "[ . 1 . 2]" 1
1574 1 75 ARG HA 1 94 GLY H . . 4.500 4.419 4.091 4.507 0.007 8 0 "[ . 1 . 2]" 1
1575 1 75 ARG QB 1 75 ARG QD . . 3.040 2.141 2.076 2.234 . 0 0 "[ . 1 . 2]" 1
1576 1 75 ARG QB 1 77 LEU H . . 5.030 4.854 4.298 5.045 0.015 20 0 "[ . 1 . 2]" 1
1577 1 75 ARG QB 1 77 LEU QD . . 3.870 2.680 2.349 2.792 . 0 0 "[ . 1 . 2]" 1
1578 1 75 ARG QB 1 93 THR HA . . 4.870 4.500 3.976 4.776 . 0 0 "[ . 1 . 2]" 1
1579 1 75 ARG QB 1 93 THR MG . . 4.410 3.146 2.506 3.558 . 0 0 "[ . 1 . 2]" 1
1580 1 75 ARG QD 1 77 LEU QD . . 3.310 2.002 1.755 2.212 . 0 0 "[ . 1 . 2]" 1
1581 1 75 ARG QD 1 91 SER QB . . 4.140 2.365 1.966 3.289 . 0 0 "[ . 1 . 2]" 1
1582 1 75 ARG HD2 1 77 LEU HG . . 5.500 4.846 4.169 5.525 0.025 11 0 "[ . 1 . 2]" 1
1583 1 75 ARG HD2 1 93 THR MG . . 5.500 4.847 3.749 5.427 . 0 0 "[ . 1 . 2]" 1
1584 1 75 ARG HD3 1 77 LEU HG . . 5.500 4.228 3.675 4.682 . 0 0 "[ . 1 . 2]" 1
1585 1 75 ARG HD3 1 93 THR MG . . 5.500 4.745 4.287 5.290 . 0 0 "[ . 1 . 2]" 1
1586 1 75 ARG QG 1 76 VAL H . . 3.840 3.504 3.311 3.685 . 0 0 "[ . 1 . 2]" 1
1587 1 75 ARG QG 1 91 SER QB . . 4.060 1.996 1.933 2.637 . 0 0 "[ . 1 . 2]" 1
1588 1 75 ARG QG 1 92 ALA H . . 4.570 2.588 2.165 2.937 . 0 0 "[ . 1 . 2]" 1
1589 1 75 ARG QG 1 93 THR HA . . 4.390 4.107 3.573 4.344 . 0 0 "[ . 1 . 2]" 1
1590 1 75 ARG QG 1 93 THR MG . . 3.960 2.537 1.981 2.915 . 0 0 "[ . 1 . 2]" 1
1591 1 75 ARG HG2 1 76 VAL H . . 4.710 3.669 3.414 3.930 . 0 0 "[ . 1 . 2]" 1
1592 1 75 ARG HG2 1 91 SER QB . . 4.830 2.030 1.978 2.690 . 0 0 "[ . 1 . 2]" 1
1593 1 75 ARG HG3 1 76 VAL H . . 4.710 4.461 4.166 4.694 . 0 0 "[ . 1 . 2]" 1
1594 1 75 ARG HG3 1 91 SER QB . . 4.830 2.979 2.662 3.793 . 0 0 "[ . 1 . 2]" 1
1595 1 76 VAL H 1 76 VAL HB . . 3.380 2.436 2.336 2.503 . 0 0 "[ . 1 . 2]" 1
1596 1 76 VAL H 1 76 VAL QG . . 3.290 2.460 2.208 2.751 . 0 0 "[ . 1 . 2]" 1
1597 1 76 VAL H 1 91 SER HA . . 4.500 4.473 4.147 4.524 0.024 9 0 "[ . 1 . 2]" 1
1598 1 76 VAL H 1 91 SER QB . . 4.860 4.785 4.637 4.870 0.010 17 0 "[ . 1 . 2]" 1
1599 1 76 VAL H 1 92 ALA H . . 3.740 2.782 2.483 2.955 . 0 0 "[ . 1 . 2]" 1
1600 1 76 VAL H 1 92 ALA MB . . 4.390 3.429 3.253 3.703 . 0 0 "[ . 1 . 2]" 1
1601 1 76 VAL H 1 93 THR HA . . 3.870 3.590 3.364 3.708 . 0 0 "[ . 1 . 2]" 1
1602 1 76 VAL H 1 93 THR MG . . 4.590 4.279 4.052 4.508 . 0 0 "[ . 1 . 2]" 1
1603 1 76 VAL HA 1 76 VAL MG1 . . 3.280 2.439 2.341 2.554 . 0 0 "[ . 1 . 2]" 1
1604 1 76 VAL HA 1 76 VAL MG2 . . 3.280 2.295 2.161 2.441 . 0 0 "[ . 1 . 2]" 1
1605 1 76 VAL HA 1 77 LEU H . . 3.070 2.156 2.141 2.237 . 0 0 "[ . 1 . 2]" 1
1606 1 76 VAL HA 1 77 LEU HB2 . . 4.740 4.342 4.272 4.458 . 0 0 "[ . 1 . 2]" 1
1607 1 76 VAL HA 1 77 LEU QD . . 3.860 3.683 3.439 3.838 . 0 0 "[ . 1 . 2]" 1
1608 1 76 VAL HB 1 92 ALA H . . 4.300 3.876 3.613 4.307 0.007 9 0 "[ . 1 . 2]" 1
1609 1 76 VAL HB 1 92 ALA MB . . 4.080 2.766 2.379 3.247 . 0 0 "[ . 1 . 2]" 1
1610 1 76 VAL QG 1 77 LEU H . . 3.160 2.844 2.612 3.147 . 0 0 "[ . 1 . 2]" 1
1611 1 76 VAL QG 1 77 LEU HA . . 4.170 3.683 3.468 3.911 . 0 0 "[ . 1 . 2]" 1
1612 1 76 VAL QG 1 78 VAL H . . 4.110 3.663 3.367 3.888 . 0 0 "[ . 1 . 2]" 1
1613 1 76 VAL QG 1 92 ALA H . . 4.770 4.188 3.980 4.485 . 0 0 "[ . 1 . 2]" 1
1614 1 76 VAL QG 1 93 THR HA . . 4.700 4.416 4.130 4.712 0.012 18 0 "[ . 1 . 2]" 1
1615 1 76 VAL QG 1 94 GLY H . . 4.810 4.215 3.808 4.624 . 0 0 "[ . 1 . 2]" 1
1616 1 77 LEU H 1 77 LEU HB2 . . 3.630 2.310 2.234 2.379 . 0 0 "[ . 1 . 2]" 1
1617 1 77 LEU H 1 77 LEU HB3 . . 3.910 3.538 3.492 3.595 . 0 0 "[ . 1 . 2]" 1
1618 1 77 LEU H 1 77 LEU QD . . 3.350 2.692 2.451 3.034 . 0 0 "[ . 1 . 2]" 1
1619 1 77 LEU H 1 77 LEU HG . . 4.350 4.006 3.783 4.154 . 0 0 "[ . 1 . 2]" 1
1620 1 77 LEU H 1 78 VAL QG . . 4.800 3.970 3.797 4.316 . 0 0 "[ . 1 . 2]" 1
1621 1 77 LEU HA 1 77 LEU MD1 . . 3.750 3.125 3.019 3.242 . 0 0 "[ . 1 . 2]" 1
1622 1 77 LEU HA 1 77 LEU QD . . 3.220 2.927 2.863 2.992 . 0 0 "[ . 1 . 2]" 1
1623 1 77 LEU HA 1 77 LEU MD2 . . 3.750 3.534 3.511 3.560 . 0 0 "[ . 1 . 2]" 1
1624 1 77 LEU HA 1 77 LEU HG . . 3.800 2.256 2.235 2.297 . 0 0 "[ . 1 . 2]" 1
1625 1 77 LEU HA 1 78 VAL H . . 2.980 2.151 2.139 2.163 . 0 0 "[ . 1 . 2]" 1
1626 1 77 LEU HA 1 78 VAL HB . . 5.080 4.818 4.704 4.932 . 0 0 "[ . 1 . 2]" 1
1627 1 77 LEU HA 1 78 VAL MG1 . . 5.500 5.481 5.453 5.507 0.007 14 0 "[ . 1 . 2]" 1
1628 1 77 LEU HA 1 78 VAL QG . . 4.290 3.578 3.391 3.760 . 0 0 "[ . 1 . 2]" 1
1629 1 77 LEU HA 1 78 VAL MG2 . . 5.500 3.627 3.425 3.827 . 0 0 "[ . 1 . 2]" 1
1630 1 77 LEU HA 1 89 ALA MB . . 4.040 3.831 3.590 4.044 0.004 9 0 "[ . 1 . 2]" 1
1631 1 77 LEU HA 1 90 VAL H . . 4.280 4.012 3.702 4.225 . 0 0 "[ . 1 . 2]" 1
1632 1 77 LEU HA 1 90 VAL MG2 . . 4.540 3.710 3.619 3.803 . 0 0 "[ . 1 . 2]" 1
1633 1 77 LEU HA 1 91 SER HA . . 3.360 2.561 2.344 2.705 . 0 0 "[ . 1 . 2]" 1
1634 1 77 LEU HA 1 91 SER QB . . 4.350 4.072 3.710 4.297 . 0 0 "[ . 1 . 2]" 1
1635 1 77 LEU HA 1 92 ALA H . . 4.360 4.286 4.051 4.366 0.006 8 0 "[ . 1 . 2]" 1
1636 1 77 LEU HB2 1 78 VAL H . . 4.660 4.511 4.427 4.551 . 0 0 "[ . 1 . 2]" 1
1637 1 77 LEU HB3 1 78 VAL H . . 4.250 3.699 3.531 3.792 . 0 0 "[ . 1 . 2]" 1
1638 1 77 LEU HB3 1 89 ALA HA . . 4.820 4.678 4.528 4.795 . 0 0 "[ . 1 . 2]" 1
1639 1 77 LEU HB3 1 89 ALA MB . . 3.500 2.556 2.389 2.663 . 0 0 "[ . 1 . 2]" 1
1640 1 77 LEU HB3 1 91 SER HA . . 4.910 4.575 4.253 4.719 . 0 0 "[ . 1 . 2]" 1
1641 1 77 LEU QD 1 78 VAL H . . 4.830 4.281 4.229 4.315 . 0 0 "[ . 1 . 2]" 1
1642 1 77 LEU QD 1 89 ALA H . . 5.080 4.691 4.503 4.926 . 0 0 "[ . 1 . 2]" 1
1643 1 77 LEU QD 1 89 ALA MB . . 2.720 2.052 1.924 2.234 . 0 0 "[ . 1 . 2]" 1
1644 1 77 LEU QD 1 90 VAL H . . 4.540 4.421 4.260 4.544 0.004 20 0 "[ . 1 . 2]" 1
1645 1 77 LEU QD 1 90 VAL HA . . 4.980 4.624 4.426 4.772 . 0 0 "[ . 1 . 2]" 1
1646 1 77 LEU QD 1 91 SER H . . 5.440 4.055 3.788 4.317 . 0 0 "[ . 1 . 2]" 1
1647 1 77 LEU QD 1 91 SER HA . . 3.330 2.788 2.566 3.070 . 0 0 "[ . 1 . 2]" 1
1648 1 77 LEU QD 1 91 SER QB . . 2.830 2.333 1.916 2.689 . 0 0 "[ . 1 . 2]" 1
1649 1 77 LEU QD 1 92 ALA H . . 4.450 3.536 3.366 3.782 . 0 0 "[ . 1 . 2]" 1
1650 1 77 LEU MD1 1 78 VAL H . . 5.500 4.908 4.848 4.970 . 0 0 "[ . 1 . 2]" 1
1651 1 77 LEU MD1 1 91 SER HA . . 4.000 2.855 2.597 3.190 . 0 0 "[ . 1 . 2]" 1
1652 1 77 LEU MD1 1 91 SER QB . . 3.340 2.403 1.943 2.833 . 0 0 "[ . 1 . 2]" 1
1653 1 77 LEU MD2 1 78 VAL H . . 5.500 4.718 4.591 4.798 . 0 0 "[ . 1 . 2]" 1
1654 1 77 LEU MD2 1 91 SER HA . . 4.000 3.954 3.610 4.021 0.021 15 0 "[ . 1 . 2]" 1
1655 1 77 LEU MD2 1 91 SER QB . . 3.340 3.208 2.916 3.375 0.035 9 0 "[ . 1 . 2]" 1
1656 1 77 LEU HG 1 78 VAL H . . 4.150 4.157 4.103 4.201 0.051 11 0 "[ . 1 . 2]" 1
1657 1 77 LEU HG 1 91 SER HA . . 4.610 2.350 1.994 2.487 . 0 0 "[ . 1 . 2]" 1
1658 1 77 LEU HG 1 91 SER QB . . 4.180 2.703 2.133 2.868 . 0 0 "[ . 1 . 2]" 1
1659 1 77 LEU HG 1 92 ALA H . . 5.280 4.360 3.986 4.494 . 0 0 "[ . 1 . 2]" 1
1660 1 78 VAL H 1 78 VAL HB . . 3.420 2.704 2.609 2.796 . 0 0 "[ . 1 . 2]" 1
1661 1 78 VAL H 1 78 VAL MG1 . . 4.230 3.860 3.833 3.893 . 0 0 "[ . 1 . 2]" 1
1662 1 78 VAL H 1 78 VAL QG . . 3.290 2.422 2.048 2.614 . 0 0 "[ . 1 . 2]" 1
1663 1 78 VAL H 1 78 VAL MG2 . . 4.230 2.449 2.055 2.659 . 0 0 "[ . 1 . 2]" 1
1664 1 78 VAL H 1 89 ALA MB . . 4.260 4.024 3.904 4.178 . 0 0 "[ . 1 . 2]" 1
1665 1 78 VAL H 1 90 VAL H . . 3.510 3.038 2.786 3.275 . 0 0 "[ . 1 . 2]" 1
1666 1 78 VAL H 1 90 VAL HB . . 5.040 4.707 4.482 4.904 . 0 0 "[ . 1 . 2]" 1
1667 1 78 VAL H 1 90 VAL MG2 . . 4.340 2.389 2.208 2.563 . 0 0 "[ . 1 . 2]" 1
1668 1 78 VAL H 1 91 SER HA . . 4.410 4.167 3.969 4.306 . 0 0 "[ . 1 . 2]" 1
1669 1 78 VAL HB 1 79 SER H . . 4.160 3.773 3.511 3.957 . 0 0 "[ . 1 . 2]" 1
1670 1 78 VAL HB 1 90 VAL H . . 4.610 4.080 3.737 4.301 . 0 0 "[ . 1 . 2]" 1
1671 1 78 VAL HB 1 90 VAL HB . . 5.500 5.278 4.915 5.501 0.001 20 0 "[ . 1 . 2]" 1
1672 1 78 VAL HB 1 90 VAL MG2 . . 3.610 2.587 2.292 2.781 . 0 0 "[ . 1 . 2]" 1
1673 1 78 VAL QG 1 79 SER H . . 3.270 2.080 1.874 2.311 . 0 0 "[ . 1 . 2]" 1
1674 1 78 VAL QG 1 79 SER QB . . 4.380 4.217 4.099 4.358 . 0 0 "[ . 1 . 2]" 1
1675 1 78 VAL QG 1 80 ALA H . . 4.670 4.209 3.830 4.615 . 0 0 "[ . 1 . 2]" 1
1676 1 78 VAL QG 1 80 ALA HA . . 4.820 4.270 4.060 4.445 . 0 0 "[ . 1 . 2]" 1
1677 1 78 VAL QG 1 90 VAL MG2 . . 3.740 3.015 2.688 3.294 . 0 0 "[ . 1 . 2]" 1
1678 1 78 VAL MG1 1 79 SER H . . 4.220 2.087 1.877 2.322 . 0 0 "[ . 1 . 2]" 1
1679 1 78 VAL MG2 1 79 SER H . . 4.220 4.028 3.902 4.167 . 0 0 "[ . 1 . 2]" 1
1680 1 79 SER H 1 79 SER QB . . 3.320 2.947 2.716 3.308 . 0 0 "[ . 1 . 2]" 1
1681 1 79 SER H 1 80 ALA HA . . 4.810 4.641 4.529 4.773 . 0 0 "[ . 1 . 2]" 1
1682 1 79 SER H 1 81 ILE MD . . 5.500 4.282 3.889 5.036 . 0 0 "[ . 1 . 2]" 1
1683 1 79 SER QB 1 80 ALA H . . 3.350 3.160 2.916 3.319 . 0 0 "[ . 1 . 2]" 1
1684 1 79 SER QB 1 80 ALA HA . . 5.080 4.507 4.412 4.562 . 0 0 "[ . 1 . 2]" 1
1685 1 79 SER QB 1 80 ALA MB . . 4.900 4.511 4.377 4.585 . 0 0 "[ . 1 . 2]" 1
1686 1 79 SER QB 1 81 ILE HA . . 5.070 4.942 4.833 5.019 . 0 0 "[ . 1 . 2]" 1
1687 1 79 SER QB 1 81 ILE MD . . 3.360 2.850 2.631 3.156 . 0 0 "[ . 1 . 2]" 1
1688 1 79 SER QB 1 81 ILE HG12 . . 5.500 4.905 4.107 5.484 . 0 0 "[ . 1 . 2]" 1
1689 1 79 SER QB 1 81 ILE QG . . 4.830 4.261 3.960 4.489 . 0 0 "[ . 1 . 2]" 1
1690 1 79 SER QB 1 81 ILE HG13 . . 5.500 4.867 4.538 5.333 . 0 0 "[ . 1 . 2]" 1
1691 1 79 SER QB 1 86 ARG HA . . 5.070 4.810 4.726 4.972 . 0 0 "[ . 1 . 2]" 1
1692 1 79 SER QB 1 86 ARG HB2 . . 4.510 2.905 2.794 3.022 . 0 0 "[ . 1 . 2]" 1
1693 1 79 SER QB 1 86 ARG HB3 . . 4.320 4.297 4.173 4.325 0.005 7 0 "[ . 1 . 2]" 1
1694 1 79 SER QB 1 86 ARG HD2 . . 4.690 2.586 2.348 2.861 . 0 0 "[ . 1 . 2]" 1
1695 1 79 SER QB 1 86 ARG QD . . 4.020 2.548 2.322 2.820 . 0 0 "[ . 1 . 2]" 1
1696 1 79 SER QB 1 86 ARG HD3 . . 4.690 3.855 3.631 4.279 . 0 0 "[ . 1 . 2]" 1
1697 1 79 SER QB 1 86 ARG HG2 . . 5.140 5.008 4.815 5.128 . 0 0 "[ . 1 . 2]" 1
1698 1 79 SER QB 1 86 ARG HG3 . . 4.500 4.292 4.113 4.497 . 0 0 "[ . 1 . 2]" 1
1699 1 79 SER QB 1 87 SER H . . 4.200 4.047 3.815 4.205 0.005 20 0 "[ . 1 . 2]" 1
1700 1 79 SER QB 1 87 SER HG . . 3.910 3.556 3.187 3.840 . 0 0 "[ . 1 . 2]" 1
1701 1 79 SER QB 1 88 GLU HA . . 5.480 4.667 4.479 4.872 . 0 0 "[ . 1 . 2]" 1
1702 1 79 SER QB 1 89 ALA HA . . 3.510 3.332 2.587 3.533 0.023 18 0 "[ . 1 . 2]" 1
1703 1 79 SER QB 1 89 ALA MB . . 3.740 3.284 2.577 3.585 . 0 0 "[ . 1 . 2]" 1
1704 1 79 SER HG 1 89 ALA MB . . 4.580 2.497 1.966 4.086 . 0 0 "[ . 1 . 2]" 1
1705 1 80 ALA H 1 80 ALA MB . . 3.210 2.137 2.077 2.272 . 0 0 "[ . 1 . 2]" 1
1706 1 80 ALA H 1 81 ILE H . . 5.150 4.490 4.421 4.551 . 0 0 "[ . 1 . 2]" 1
1707 1 80 ALA H 1 82 TYR QE . . 4.670 4.316 4.164 4.535 . 0 0 "[ . 1 . 2]" 1
1708 1 80 ALA H 1 87 SER H . . 3.950 3.648 3.474 3.932 . 0 0 "[ . 1 . 2]" 1
1709 1 80 ALA H 1 87 SER HB2 . . 4.980 4.685 4.160 4.872 . 0 0 "[ . 1 . 2]" 1
1710 1 80 ALA H 1 87 SER HB3 . . 4.660 4.436 4.210 4.640 . 0 0 "[ . 1 . 2]" 1
1711 1 80 ALA H 1 87 SER HG . . 3.520 2.479 1.917 2.771 . 0 0 "[ . 1 . 2]" 1
1712 1 80 ALA HA 1 81 ILE H . . 3.140 2.147 2.141 2.165 . 0 0 "[ . 1 . 2]" 1
1713 1 80 ALA HA 1 81 ILE HA . . 4.650 4.386 4.379 4.397 . 0 0 "[ . 1 . 2]" 1
1714 1 80 ALA HA 1 81 ILE HB . . 4.810 4.607 4.494 4.824 0.014 8 0 "[ . 1 . 2]" 1
1715 1 80 ALA HA 1 81 ILE MD . . 4.730 3.314 2.729 4.466 . 0 0 "[ . 1 . 2]" 1
1716 1 80 ALA HA 1 81 ILE HG12 . . 5.500 4.799 3.490 5.505 0.005 7 0 "[ . 1 . 2]" 1
1717 1 80 ALA HA 1 81 ILE HG13 . . 5.500 5.399 5.200 5.501 0.001 4 0 "[ . 1 . 2]" 1
1718 1 80 ALA HA 1 81 ILE MG . . 5.500 5.452 5.442 5.466 . 0 0 "[ . 1 . 2]" 1
1719 1 80 ALA MB 1 81 ILE H . . 3.660 3.199 3.097 3.298 . 0 0 "[ . 1 . 2]" 1
1720 1 80 ALA MB 1 82 TYR QD . . 3.890 3.668 3.527 3.883 . 0 0 "[ . 1 . 2]" 1
1721 1 80 ALA MB 1 82 TYR QE . . 3.140 2.190 1.975 2.379 . 0 0 "[ . 1 . 2]" 1
1722 1 80 ALA MB 1 87 SER H . . 4.270 3.368 3.105 3.554 . 0 0 "[ . 1 . 2]" 1
1723 1 80 ALA MB 1 87 SER HB2 . . 4.590 4.400 3.926 4.606 0.016 11 0 "[ . 1 . 2]" 1
1724 1 80 ALA MB 1 87 SER HB3 . . 4.080 3.539 3.146 3.750 . 0 0 "[ . 1 . 2]" 1
1725 1 80 ALA MB 1 87 SER HG . . 4.430 3.306 2.916 3.579 . 0 0 "[ . 1 . 2]" 1
1726 1 81 ILE H 1 81 ILE HB . . 3.450 2.509 2.415 2.688 . 0 0 "[ . 1 . 2]" 1
1727 1 81 ILE H 1 81 ILE MD . . 3.640 2.461 1.932 3.456 . 0 0 "[ . 1 . 2]" 1
1728 1 81 ILE H 1 81 ILE HG12 . . 4.220 3.271 2.041 3.955 . 0 0 "[ . 1 . 2]" 1
1729 1 81 ILE H 1 81 ILE QG . . 3.640 3.020 2.027 3.555 . 0 0 "[ . 1 . 2]" 1
1730 1 81 ILE H 1 81 ILE HG13 . . 4.220 3.854 3.500 4.065 . 0 0 "[ . 1 . 2]" 1
1731 1 81 ILE H 1 81 ILE MG . . 4.170 3.771 3.742 3.818 . 0 0 "[ . 1 . 2]" 1
1732 1 81 ILE HA 1 81 ILE MD . . 3.170 2.416 2.217 2.538 . 0 0 "[ . 1 . 2]" 1
1733 1 81 ILE HA 1 81 ILE HG12 . . 4.180 3.488 3.024 3.701 . 0 0 "[ . 1 . 2]" 1
1734 1 81 ILE HA 1 81 ILE HG13 . . 4.180 3.013 2.548 3.852 . 0 0 "[ . 1 . 2]" 1
1735 1 81 ILE HA 1 81 ILE MG . . 3.150 2.352 2.146 2.495 . 0 0 "[ . 1 . 2]" 1
1736 1 81 ILE HA 1 82 TYR H . . 2.970 2.186 2.140 2.272 . 0 0 "[ . 1 . 2]" 1
1737 1 81 ILE HA 1 82 TYR HB2 . . 4.720 4.586 4.503 4.677 . 0 0 "[ . 1 . 2]" 1
1738 1 81 ILE HA 1 82 TYR QD . . 3.950 3.646 3.380 3.880 . 0 0 "[ . 1 . 2]" 1
1739 1 81 ILE HA 1 86 ARG HA . . 3.470 2.152 2.045 2.258 . 0 0 "[ . 1 . 2]" 1
1740 1 81 ILE HA 1 86 ARG HB2 . . 4.600 2.955 2.783 3.087 . 0 0 "[ . 1 . 2]" 1
1741 1 81 ILE HA 1 86 ARG HB3 . . 4.480 2.293 2.149 2.445 . 0 0 "[ . 1 . 2]" 1
1742 1 81 ILE HA 1 87 SER H . . 4.080 3.701 3.542 3.810 . 0 0 "[ . 1 . 2]" 1
1743 1 81 ILE HB 1 82 TYR H . . 4.660 4.080 3.754 4.341 . 0 0 "[ . 1 . 2]" 1
1744 1 81 ILE HB 1 86 ARG HA . . 5.250 5.159 5.056 5.253 0.003 10 0 "[ . 1 . 2]" 1
1745 1 81 ILE MD 1 81 ILE MG . . 3.410 2.784 1.879 3.247 . 0 0 "[ . 1 . 2]" 1
1746 1 81 ILE MD 1 82 TYR H . . 4.480 4.150 3.660 4.391 . 0 0 "[ . 1 . 2]" 1
1747 1 81 ILE MD 1 86 ARG H . . 5.500 4.808 4.235 5.170 . 0 0 "[ . 1 . 2]" 1
1748 1 81 ILE MD 1 86 ARG HA . . 3.610 3.460 3.265 3.614 0.004 12 0 "[ . 1 . 2]" 1
1749 1 81 ILE MD 1 86 ARG HB2 . . 3.700 2.245 1.973 2.540 . 0 0 "[ . 1 . 2]" 1
1750 1 81 ILE MD 1 86 ARG HB3 . . 3.160 2.353 1.770 2.803 . 0 0 "[ . 1 . 2]" 1
1751 1 81 ILE MD 1 86 ARG HD2 . . 3.920 3.101 2.560 3.541 . 0 0 "[ . 1 . 2]" 1
1752 1 81 ILE MD 1 86 ARG QD . . 3.350 2.768 2.230 3.137 . 0 0 "[ . 1 . 2]" 1
1753 1 81 ILE MD 1 86 ARG HD3 . . 3.920 3.129 2.453 3.638 . 0 0 "[ . 1 . 2]" 1
1754 1 81 ILE MD 1 86 ARG HG2 . . 4.540 3.935 3.006 4.506 . 0 0 "[ . 1 . 2]" 1
1755 1 81 ILE MD 1 86 ARG HG3 . . 4.750 4.303 3.738 4.691 . 0 0 "[ . 1 . 2]" 1
1756 1 81 ILE MD 1 87 SER H . . 4.740 4.088 3.807 4.494 . 0 0 "[ . 1 . 2]" 1
1757 1 81 ILE QG 1 86 ARG HA . . 5.340 4.161 3.774 4.855 . 0 0 "[ . 1 . 2]" 1
1758 1 81 ILE QG 1 86 ARG HB2 . . 5.170 3.380 2.886 4.080 . 0 0 "[ . 1 . 2]" 1
1759 1 81 ILE QG 1 86 ARG HB3 . . 4.300 2.577 1.989 3.697 . 0 0 "[ . 1 . 2]" 1
1760 1 81 ILE QG 1 86 ARG QD . . 4.310 3.467 2.879 4.174 . 0 0 "[ . 1 . 2]" 1
1761 1 81 ILE QG 1 86 ARG HG2 . . 5.340 4.307 3.630 5.345 0.005 13 0 "[ . 1 . 2]" 1
1762 1 81 ILE HG12 1 81 ILE MG . . 3.390 2.701 2.376 3.197 . 0 0 "[ . 1 . 2]" 1
1763 1 81 ILE HG12 1 82 TYR H . . 5.500 5.208 4.948 5.490 . 0 0 "[ . 1 . 2]" 1
1764 1 81 ILE HG12 1 86 ARG HB3 . . 4.890 3.825 3.731 4.107 . 0 0 "[ . 1 . 2]" 1
1765 1 81 ILE HG12 1 86 ARG HD2 . . 5.500 5.207 4.821 5.494 . 0 0 "[ . 1 . 2]" 1
1766 1 81 ILE HG12 1 86 ARG HD3 . . 5.500 4.778 4.334 5.344 . 0 0 "[ . 1 . 2]" 1
1767 1 81 ILE HG13 1 81 ILE MG . . 3.390 2.298 2.201 2.407 . 0 0 "[ . 1 . 2]" 1
1768 1 81 ILE HG13 1 82 TYR H . . 5.500 4.593 3.979 5.436 . 0 0 "[ . 1 . 2]" 1
1769 1 81 ILE HG13 1 86 ARG HB3 . . 4.890 2.802 1.996 4.309 . 0 0 "[ . 1 . 2]" 1
1770 1 81 ILE HG13 1 86 ARG HD2 . . 5.500 4.586 3.608 5.505 0.005 20 0 "[ . 1 . 2]" 1
1771 1 81 ILE HG13 1 86 ARG HD3 . . 5.500 3.986 3.122 5.227 . 0 0 "[ . 1 . 2]" 1
1772 1 81 ILE MG 1 82 TYR H . . 3.250 2.317 2.029 2.591 . 0 0 "[ . 1 . 2]" 1
1773 1 81 ILE MG 1 82 TYR HA . . 4.550 3.565 3.143 3.896 . 0 0 "[ . 1 . 2]" 1
1774 1 81 ILE MG 1 82 TYR HB2 . . 4.710 4.566 4.377 4.691 . 0 0 "[ . 1 . 2]" 1
1775 1 81 ILE MG 1 82 TYR HB3 . . 5.500 5.159 4.880 5.381 . 0 0 "[ . 1 . 2]" 1
1776 1 81 ILE MG 1 82 TYR QD . . 4.790 4.591 4.405 4.720 . 0 0 "[ . 1 . 2]" 1
1777 1 81 ILE MG 1 85 GLY H . . 4.990 4.866 4.673 4.993 0.003 11 0 "[ . 1 . 2]" 1
1778 1 81 ILE MG 1 85 GLY HA2 . . 4.890 4.142 3.886 4.269 . 0 0 "[ . 1 . 2]" 1
1779 1 81 ILE MG 1 85 GLY HA3 . . 5.500 5.349 5.025 5.504 0.004 11 0 "[ . 1 . 2]" 1
1780 1 81 ILE MG 1 86 ARG HA . . 4.000 3.704 3.447 3.833 . 0 0 "[ . 1 . 2]" 1
1781 1 81 ILE MG 1 86 ARG HB2 . . 4.550 4.226 3.759 4.503 . 0 0 "[ . 1 . 2]" 1
1782 1 81 ILE MG 1 86 ARG HB3 . . 4.050 2.899 2.344 3.151 . 0 0 "[ . 1 . 2]" 1
1783 1 81 ILE MG 1 86 ARG QD . . 4.720 4.390 3.950 4.668 . 0 0 "[ . 1 . 2]" 1
1784 1 81 ILE MG 1 86 ARG HG2 . . 4.690 4.320 3.791 4.572 . 0 0 "[ . 1 . 2]" 1
1785 1 81 ILE MG 1 87 SER H . . 5.500 5.415 5.218 5.505 0.005 11 0 "[ . 1 . 2]" 1
1786 1 82 TYR H 1 82 TYR HB2 . . 3.540 2.723 2.601 2.894 . 0 0 "[ . 1 . 2]" 1
1787 1 82 TYR H 1 82 TYR HB3 . . 3.940 3.817 3.737 3.917 . 0 0 "[ . 1 . 2]" 1
1788 1 82 TYR H 1 82 TYR QD . . 3.460 2.945 2.621 3.253 . 0 0 "[ . 1 . 2]" 1
1789 1 82 TYR H 1 82 TYR QE . . 5.200 4.841 4.578 5.046 . 0 0 "[ . 1 . 2]" 1
1790 1 82 TYR H 1 83 ALA H . . 4.520 4.460 4.406 4.511 . 0 0 "[ . 1 . 2]" 1
1791 1 82 TYR H 1 85 GLY H . . 3.900 3.591 3.430 3.777 . 0 0 "[ . 1 . 2]" 1
1792 1 82 TYR H 1 86 ARG HA . . 3.760 2.664 2.462 2.898 . 0 0 "[ . 1 . 2]" 1
1793 1 82 TYR H 1 86 ARG HB3 . . 4.940 3.588 3.409 3.788 . 0 0 "[ . 1 . 2]" 1
1794 1 82 TYR H 1 87 SER H . . 4.960 4.552 4.212 4.807 . 0 0 "[ . 1 . 2]" 1
1795 1 82 TYR HA 1 83 ALA H . . 3.420 2.410 2.317 2.485 . 0 0 "[ . 1 . 2]" 1
1796 1 82 TYR HA 1 83 ALA MB . . 4.390 4.163 4.096 4.206 . 0 0 "[ . 1 . 2]" 1
1797 1 82 TYR HB2 1 83 ALA H . . 3.860 3.540 3.404 3.748 . 0 0 "[ . 1 . 2]" 1
1798 1 82 TYR HB2 1 83 ALA MB . . 4.950 4.676 4.617 4.823 . 0 0 "[ . 1 . 2]" 1
1799 1 82 TYR HB2 1 84 ALA H . . 4.700 3.310 3.093 3.438 . 0 0 "[ . 1 . 2]" 1
1800 1 82 TYR HB2 1 84 ALA MB . . 3.670 3.636 3.573 3.674 0.004 12 0 "[ . 1 . 2]" 1
1801 1 82 TYR HB2 1 85 GLY H . . 3.550 2.406 2.320 2.488 . 0 0 "[ . 1 . 2]" 1
1802 1 82 TYR HB2 1 85 GLY HA2 . . 5.500 4.592 4.481 4.673 . 0 0 "[ . 1 . 2]" 1
1803 1 82 TYR HB2 1 85 GLY HA3 . . 5.340 4.631 4.513 4.756 . 0 0 "[ . 1 . 2]" 1
1804 1 82 TYR HB3 1 83 ALA H . . 3.580 2.434 2.271 2.648 . 0 0 "[ . 1 . 2]" 1
1805 1 82 TYR HB3 1 83 ALA HA . . 5.250 4.858 4.761 4.949 . 0 0 "[ . 1 . 2]" 1
1806 1 82 TYR HB3 1 83 ALA MB . . 4.210 3.768 3.687 3.905 . 0 0 "[ . 1 . 2]" 1
1807 1 82 TYR HB3 1 84 ALA H . . 4.640 3.172 3.012 3.324 . 0 0 "[ . 1 . 2]" 1
1808 1 82 TYR HB3 1 84 ALA MB . . 4.140 4.004 3.759 4.145 0.005 5 0 "[ . 1 . 2]" 1
1809 1 82 TYR HB3 1 85 GLY H . . 4.030 3.655 3.532 3.817 . 0 0 "[ . 1 . 2]" 1
1810 1 82 TYR QD 1 83 ALA H . . 4.160 3.831 3.709 3.942 . 0 0 "[ . 1 . 2]" 1
1811 1 82 TYR QD 1 83 ALA MB . . 5.090 4.942 4.837 5.042 . 0 0 "[ . 1 . 2]" 1
1812 1 82 TYR QD 1 84 ALA MB . . 5.040 4.945 4.861 4.997 . 0 0 "[ . 1 . 2]" 1
1813 1 82 TYR QD 1 85 GLY H . . 4.290 4.016 3.924 4.155 . 0 0 "[ . 1 . 2]" 1
1814 1 82 TYR QD 1 85 GLY HA3 . . 5.500 5.099 4.848 5.346 . 0 0 "[ . 1 . 2]" 1
1815 1 82 TYR QD 1 86 ARG HA . . 3.970 2.636 2.271 2.815 . 0 0 "[ . 1 . 2]" 1
1816 1 82 TYR QD 1 86 ARG HB2 . . 5.090 4.929 4.617 5.097 0.007 12 0 "[ . 1 . 2]" 1
1817 1 82 TYR QD 1 87 SER H . . 4.090 3.021 2.722 3.341 . 0 0 "[ . 1 . 2]" 1
1818 1 82 TYR QD 1 87 SER HB2 . . 5.500 5.407 5.229 5.508 0.008 20 0 "[ . 1 . 2]" 1
1819 1 82 TYR QD 1 87 SER HB3 . . 4.810 3.756 3.563 3.922 . 0 0 "[ . 1 . 2]" 1
1820 1 82 TYR QE 1 86 ARG HA . . 4.790 3.955 3.506 4.247 . 0 0 "[ . 1 . 2]" 1
1821 1 82 TYR QE 1 87 SER H . . 4.240 2.795 2.193 3.181 . 0 0 "[ . 1 . 2]" 1
1822 1 82 TYR QE 1 87 SER HB2 . . 4.350 3.937 3.693 4.120 . 0 0 "[ . 1 . 2]" 1
1823 1 82 TYR QE 1 87 SER HB3 . . 3.490 2.293 2.000 2.526 . 0 0 "[ . 1 . 2]" 1
1824 1 83 ALA H 1 83 ALA MB . . 2.960 2.069 2.023 2.177 . 0 0 "[ . 1 . 2]" 1
1825 1 83 ALA H 1 84 ALA H . . 4.530 2.913 2.784 3.041 . 0 0 "[ . 1 . 2]" 1
1826 1 83 ALA H 1 84 ALA MB . . 4.660 4.557 4.420 4.666 0.006 15 0 "[ . 1 . 2]" 1
1827 1 83 ALA HA 1 84 ALA MB . . 5.170 5.028 4.995 5.041 . 0 0 "[ . 1 . 2]" 1
1828 1 83 ALA HA 1 85 GLY H . . 5.140 4.985 4.682 5.140 0.000 18 0 "[ . 1 . 2]" 1
1829 1 83 ALA MB 1 84 ALA H . . 4.010 2.563 2.436 2.732 . 0 0 "[ . 1 . 2]" 1
1830 1 83 ALA MB 1 84 ALA HA . . 4.270 3.731 3.683 3.804 . 0 0 "[ . 1 . 2]" 1
1831 1 83 ALA MB 1 85 GLY H . . 4.890 4.650 4.529 4.733 . 0 0 "[ . 1 . 2]" 1
1832 1 84 ALA H 1 84 ALA MB . . 3.520 2.158 2.042 2.247 . 0 0 "[ . 1 . 2]" 1
1833 1 84 ALA H 1 85 GLY H . . 3.940 2.635 2.491 2.737 . 0 0 "[ . 1 . 2]" 1
1834 1 84 ALA MB 1 85 GLY H . . 3.640 2.434 2.304 2.577 . 0 0 "[ . 1 . 2]" 1
1835 1 84 ALA MB 1 85 GLY HA2 . . 4.590 4.302 4.218 4.396 . 0 0 "[ . 1 . 2]" 1
1836 1 85 GLY H 1 86 ARG H . . 4.460 4.361 4.295 4.385 . 0 0 "[ . 1 . 2]" 1
1837 1 85 GLY HA2 1 86 ARG H . . 3.120 2.564 2.384 2.809 . 0 0 "[ . 1 . 2]" 1
1838 1 85 GLY HA2 1 86 ARG HA . . 4.930 4.375 4.320 4.476 . 0 0 "[ . 1 . 2]" 1
1839 1 85 GLY HA2 1 86 ARG HB3 . . 4.850 4.498 4.423 4.598 . 0 0 "[ . 1 . 2]" 1
1840 1 85 GLY HA2 1 86 ARG HG3 . . 5.170 5.084 4.987 5.165 . 0 0 "[ . 1 . 2]" 1
1841 1 85 GLY HA3 1 86 ARG H . . 3.410 2.572 2.343 2.759 . 0 0 "[ . 1 . 2]" 1
1842 1 85 GLY HA3 1 86 ARG HA . . 4.910 4.498 4.387 4.600 . 0 0 "[ . 1 . 2]" 1
1843 1 85 GLY HA3 1 86 ARG HB3 . . 5.500 5.219 5.043 5.397 . 0 0 "[ . 1 . 2]" 1
1844 1 85 GLY HA3 1 86 ARG HG2 . . 5.270 4.722 4.471 4.908 . 0 0 "[ . 1 . 2]" 1
1845 1 85 GLY HA3 1 86 ARG HG3 . . 5.070 4.972 4.812 5.073 0.003 11 0 "[ . 1 . 2]" 1
1846 1 86 ARG H 1 86 ARG HB2 . . 4.180 3.677 3.612 3.760 . 0 0 "[ . 1 . 2]" 1
1847 1 86 ARG H 1 86 ARG HB3 . . 4.000 2.943 2.758 3.238 . 0 0 "[ . 1 . 2]" 1
1848 1 86 ARG H 1 86 ARG HD2 . . 4.850 4.710 4.619 4.787 . 0 0 "[ . 1 . 2]" 1
1849 1 86 ARG H 1 86 ARG HD3 . . 4.850 4.530 4.268 4.722 . 0 0 "[ . 1 . 2]" 1
1850 1 86 ARG H 1 86 ARG HG2 . . 3.390 2.327 2.028 2.540 . 0 0 "[ . 1 . 2]" 1
1851 1 86 ARG H 1 86 ARG HG3 . . 3.920 2.611 2.457 2.730 . 0 0 "[ . 1 . 2]" 1
1852 1 86 ARG H 1 87 SER H . . 4.710 4.513 4.349 4.593 . 0 0 "[ . 1 . 2]" 1
1853 1 86 ARG HA 1 86 ARG HD2 . . 5.080 4.554 4.468 4.651 . 0 0 "[ . 1 . 2]" 1
1854 1 86 ARG HA 1 86 ARG QD . . 4.370 4.223 4.193 4.263 . 0 0 "[ . 1 . 2]" 1
1855 1 86 ARG HA 1 86 ARG HD3 . . 5.080 5.006 4.827 5.100 0.020 15 0 "[ . 1 . 2]" 1
1856 1 86 ARG HA 1 86 ARG HG2 . . 4.230 3.866 3.734 3.917 . 0 0 "[ . 1 . 2]" 1
1857 1 86 ARG HA 1 86 ARG HG3 . . 4.140 3.656 3.626 3.741 . 0 0 "[ . 1 . 2]" 1
1858 1 86 ARG HA 1 87 SER H . . 3.030 2.213 2.162 2.261 . 0 0 "[ . 1 . 2]" 1
1859 1 86 ARG HA 1 87 SER HB3 . . 5.380 4.483 4.399 4.610 . 0 0 "[ . 1 . 2]" 1
1860 1 86 ARG HB2 1 86 ARG QD . . 3.640 2.131 2.053 2.217 . 0 0 "[ . 1 . 2]" 1
1861 1 86 ARG HB2 1 87 SER H . . 4.070 2.980 2.809 3.213 . 0 0 "[ . 1 . 2]" 1
1862 1 86 ARG HB3 1 86 ARG HD2 . . 3.800 3.119 2.887 3.379 . 0 0 "[ . 1 . 2]" 1
1863 1 86 ARG HB3 1 86 ARG QD . . 3.270 2.661 2.528 2.731 . 0 0 "[ . 1 . 2]" 1
1864 1 86 ARG HB3 1 86 ARG HD3 . . 3.800 2.897 2.736 3.040 . 0 0 "[ . 1 . 2]" 1
1865 1 86 ARG HB3 1 87 SER H . . 4.140 4.019 3.851 4.118 . 0 0 "[ . 1 . 2]" 1
1866 1 86 ARG HG2 1 87 SER H . . 5.410 5.207 5.089 5.337 . 0 0 "[ . 1 . 2]" 1
1867 1 86 ARG HG3 1 87 SER H . . 4.500 4.262 4.164 4.466 . 0 0 "[ . 1 . 2]" 1
1868 1 87 SER H 1 87 SER HB2 . . 3.860 3.605 3.590 3.626 . 0 0 "[ . 1 . 2]" 1
1869 1 87 SER H 1 87 SER HB3 . . 3.600 2.572 2.448 2.695 . 0 0 "[ . 1 . 2]" 1
1870 1 87 SER H 1 87 SER HG . . 4.220 2.921 2.421 3.309 . 0 0 "[ . 1 . 2]" 1
1871 1 87 SER H 1 88 GLU H . . 4.800 4.575 4.552 4.628 . 0 0 "[ . 1 . 2]" 1
1872 1 87 SER HB2 1 88 GLU H . . 3.210 2.221 2.126 2.339 . 0 0 "[ . 1 . 2]" 1
1873 1 87 SER HB2 1 88 GLU QG . . 3.550 3.322 3.145 3.417 . 0 0 "[ . 1 . 2]" 1
1874 1 87 SER HB3 1 88 GLU H . . 3.700 3.679 3.614 3.705 0.005 17 0 "[ . 1 . 2]" 1
1875 1 87 SER HB3 1 88 GLU QG . . 4.990 4.925 4.732 4.990 . 0 0 "[ . 1 . 2]" 1
1876 1 87 SER HG 1 88 GLU H . . 3.840 3.306 2.970 3.592 . 0 0 "[ . 1 . 2]" 1
1877 1 88 GLU H 1 88 GLU HB2 . . 3.670 3.565 3.551 3.586 . 0 0 "[ . 1 . 2]" 1
1878 1 88 GLU H 1 88 GLU HB3 . . 3.310 2.345 2.295 2.436 . 0 0 "[ . 1 . 2]" 1
1879 1 88 GLU H 1 88 GLU QG . . 3.380 2.472 2.276 2.578 . 0 0 "[ . 1 . 2]" 1
1880 1 88 GLU H 1 89 ALA H . . 4.700 4.595 4.560 4.632 . 0 0 "[ . 1 . 2]" 1
1881 1 88 GLU HA 1 88 GLU QG . . 3.630 3.325 3.316 3.338 . 0 0 "[ . 1 . 2]" 1
1882 1 88 GLU HA 1 89 ALA H . . 2.710 2.566 2.456 2.632 . 0 0 "[ . 1 . 2]" 1
1883 1 88 GLU HA 1 89 ALA HA . . 4.700 4.422 4.376 4.450 . 0 0 "[ . 1 . 2]" 1
1884 1 88 GLU HA 1 89 ALA MB . . 4.080 3.948 3.873 3.991 . 0 0 "[ . 1 . 2]" 1
1885 1 88 GLU HB2 1 89 ALA H . . 3.390 2.226 2.092 2.421 . 0 0 "[ . 1 . 2]" 1
1886 1 88 GLU HB2 1 89 ALA MB . . 4.610 4.284 4.201 4.377 . 0 0 "[ . 1 . 2]" 1
1887 1 88 GLU HB3 1 89 ALA H . . 3.840 3.703 3.605 3.838 . 0 0 "[ . 1 . 2]" 1
1888 1 88 GLU QG 1 89 ALA H . . 3.800 2.890 2.679 3.185 . 0 0 "[ . 1 . 2]" 1
1889 1 88 GLU QG 1 89 ALA MB . . 4.710 4.285 4.168 4.431 . 0 0 "[ . 1 . 2]" 1
1890 1 88 GLU QG 1 90 VAL MG1 . . 4.220 2.928 2.721 3.103 . 0 0 "[ . 1 . 2]" 1
1891 1 88 GLU QG 1 90 VAL MG2 . . 4.480 4.326 4.180 4.482 0.002 17 0 "[ . 1 . 2]" 1
1892 1 89 ALA H 1 89 ALA MB . . 2.720 2.418 2.308 2.493 . 0 0 "[ . 1 . 2]" 1
1893 1 89 ALA HA 1 90 VAL MG1 . . 3.960 3.972 3.946 4.023 0.063 18 0 "[ . 1 . 2]" 1
1894 1 89 ALA HA 1 90 VAL MG2 . . 3.720 3.571 3.467 3.688 . 0 0 "[ . 1 . 2]" 1
1895 1 89 ALA MB 1 90 VAL H . . 3.300 3.063 2.875 3.225 . 0 0 "[ . 1 . 2]" 1
1896 1 89 ALA MB 1 90 VAL HA . . 4.890 4.226 4.155 4.290 . 0 0 "[ . 1 . 2]" 1
1897 1 90 VAL H 1 90 VAL HB . . 3.820 3.648 3.628 3.668 . 0 0 "[ . 1 . 2]" 1
1898 1 90 VAL H 1 90 VAL MG1 . . 3.550 2.888 2.752 3.021 . 0 0 "[ . 1 . 2]" 1
1899 1 90 VAL H 1 90 VAL MG2 . . 3.080 1.961 1.860 2.041 . 0 0 "[ . 1 . 2]" 1
1900 1 90 VAL HA 1 90 VAL MG1 . . 3.090 2.204 2.144 2.289 . 0 0 "[ . 1 . 2]" 1
1901 1 90 VAL HA 1 90 VAL MG2 . . 3.470 3.185 3.177 3.196 . 0 0 "[ . 1 . 2]" 1
1902 1 90 VAL HA 1 91 SER H . . 2.720 2.145 2.139 2.155 . 0 0 "[ . 1 . 2]" 1
1903 1 90 VAL HA 1 91 SER HA . . 4.580 4.383 4.372 4.395 . 0 0 "[ . 1 . 2]" 1
1904 1 90 VAL HA 1 91 SER QB . . 4.580 4.221 4.058 4.563 . 0 0 "[ . 1 . 2]" 1
1905 1 90 VAL HB 1 91 SER H . . 3.570 3.370 3.237 3.508 . 0 0 "[ . 1 . 2]" 1
1906 1 90 VAL HB 1 91 SER QB . . 5.500 5.339 5.205 5.402 . 0 0 "[ . 1 . 2]" 1
1907 1 90 VAL MG1 1 91 SER H . . 4.010 3.799 3.749 3.903 . 0 0 "[ . 1 . 2]" 1
1908 1 90 VAL MG1 1 91 SER QB . . 5.500 5.515 5.366 5.619 0.119 18 0 "[ . 1 . 2]" 1
1909 1 90 VAL MG2 1 91 SER H . . 4.320 4.147 4.061 4.209 . 0 0 "[ . 1 . 2]" 1
1910 1 90 VAL MG2 1 91 SER HA . . 4.780 4.382 4.300 4.451 . 0 0 "[ . 1 . 2]" 1
1911 1 90 VAL MG2 1 91 SER QB . . 5.500 5.321 5.211 5.543 0.043 9 0 "[ . 1 . 2]" 1
1912 1 91 SER H 1 91 SER QB . . 3.240 2.451 2.165 2.623 . 0 0 "[ . 1 . 2]" 1
1913 1 91 SER H 1 92 ALA H . . 4.620 4.585 4.570 4.600 . 0 0 "[ . 1 . 2]" 1
1914 1 91 SER HA 1 92 ALA H . . 2.890 2.343 2.292 2.433 . 0 0 "[ . 1 . 2]" 1
1915 1 91 SER HA 1 92 ALA MB . . 4.110 3.790 3.724 3.858 . 0 0 "[ . 1 . 2]" 1
1916 1 91 SER QB 1 92 ALA H . . 3.170 2.696 2.429 3.178 0.008 8 0 "[ . 1 . 2]" 1
1917 1 91 SER QB 1 92 ALA MB . . 4.680 4.521 4.205 4.655 . 0 0 "[ . 1 . 2]" 1
1918 1 92 ALA H 1 92 ALA MB . . 3.390 2.782 2.705 2.861 . 0 0 "[ . 1 . 2]" 1
1919 1 92 ALA H 1 93 THR H . . 4.570 3.975 3.801 4.283 . 0 0 "[ . 1 . 2]" 1
1920 1 92 ALA HA 1 93 THR H . . 2.920 2.151 2.140 2.235 . 0 0 "[ . 1 . 2]" 1
1921 1 92 ALA MB 1 93 THR H . . 3.380 3.212 2.877 3.381 0.001 7 0 "[ . 1 . 2]" 1
1922 1 92 ALA MB 1 93 THR HA . . 4.370 4.256 4.111 4.335 . 0 0 "[ . 1 . 2]" 1
1923 1 93 THR H 1 93 THR HB . . 3.730 3.644 3.599 3.678 . 0 0 "[ . 1 . 2]" 1
1924 1 93 THR H 1 93 THR MG . . 3.760 2.784 2.435 3.006 . 0 0 "[ . 1 . 2]" 1
1925 1 93 THR H 1 94 GLY H . . 4.550 4.469 4.306 4.555 0.005 5 0 "[ . 1 . 2]" 1
1926 1 93 THR HA 1 93 THR MG . . 3.220 2.199 2.084 2.415 . 0 0 "[ . 1 . 2]" 1
1927 1 93 THR HA 1 94 GLY H . . 2.990 2.164 2.145 2.212 . 0 0 "[ . 1 . 2]" 1
1928 1 93 THR HA 1 94 GLY HA2 . . 4.480 4.409 4.392 4.444 . 0 0 "[ . 1 . 2]" 1
1929 1 93 THR HB 1 94 GLY H . . 3.550 3.274 2.966 3.558 0.008 15 0 "[ . 1 . 2]" 1
1930 1 93 THR MG 1 94 GLY H . . 3.930 3.843 3.688 3.935 0.005 16 0 "[ . 1 . 2]" 1
1931 1 94 GLY H 1 95 GLN HA . . 4.800 4.592 4.415 4.724 . 0 0 "[ . 1 . 2]" 1
1932 1 94 GLY HA2 1 95 GLN H . . 3.130 2.220 2.160 2.269 . 0 0 "[ . 1 . 2]" 1
1933 1 94 GLY HA2 1 95 GLN HA . . 4.870 4.483 4.429 4.530 . 0 0 "[ . 1 . 2]" 1
1934 1 94 GLY HA2 1 95 GLN HB2 . . 5.080 4.643 4.345 4.892 . 0 0 "[ . 1 . 2]" 1
1935 1 94 GLY HA2 1 95 GLN QB . . 4.340 4.113 4.071 4.152 . 0 0 "[ . 1 . 2]" 1
1936 1 94 GLY HA2 1 95 GLN HB3 . . 5.080 4.617 4.360 4.913 . 0 0 "[ . 1 . 2]" 1
1937 1 94 GLY HA3 1 95 GLN HA . . 4.860 4.879 4.833 4.955 0.095 6 0 "[ . 1 . 2]" 1
1938 1 94 GLY HA3 1 95 GLN QB . . 5.340 5.079 5.025 5.136 . 0 0 "[ . 1 . 2]" 1
1939 1 95 GLN H 1 95 GLN QB . . 3.450 2.224 2.147 2.255 . 0 0 "[ . 1 . 2]" 1
1940 1 95 GLN H 1 95 GLN QG . . 4.570 3.945 3.831 4.037 . 0 0 "[ . 1 . 2]" 1
1941 1 95 GLN HA 1 95 GLN HG2 . . 4.220 3.039 2.657 3.321 . 0 0 "[ . 1 . 2]" 1
1942 1 95 GLN HA 1 95 GLN QG . . 3.540 2.433 2.202 2.596 . 0 0 "[ . 1 . 2]" 1
1943 1 95 GLN HA 1 95 GLN HG3 . . 4.220 2.616 2.259 3.647 . 0 0 "[ . 1 . 2]" 1
1944 1 95 GLN HA 1 96 THR H . . 3.030 2.175 2.138 2.286 . 0 0 "[ . 1 . 2]" 1
1945 1 95 GLN HA 1 96 THR MG . . 4.360 4.082 3.916 4.323 . 0 0 "[ . 1 . 2]" 1
1946 1 95 GLN QG 1 96 THR H . . 3.400 2.621 2.000 2.963 . 0 0 "[ . 1 . 2]" 1
1947 1 95 GLN HG2 1 96 THR H . . 3.890 2.901 2.031 3.478 . 0 0 "[ . 1 . 2]" 1
1948 1 95 GLN HG3 1 96 THR H . . 3.890 3.158 2.774 3.902 0.012 7 0 "[ . 1 . 2]" 1
1949 1 96 THR H 1 96 THR HG1 . . 4.120 3.186 3.005 3.319 . 0 0 "[ . 1 . 2]" 1
1950 1 96 THR H 1 96 THR MG . . 3.340 2.739 2.405 2.980 . 0 0 "[ . 1 . 2]" 1
1951 1 96 THR H 1 97 ALA H . . 4.830 4.542 4.498 4.580 . 0 0 "[ . 1 . 2]" 1
1952 1 96 THR HA 1 96 THR MG . . 3.280 2.209 2.070 2.300 . 0 0 "[ . 1 . 2]" 1
1953 1 96 THR HA 1 97 ALA H . . 3.330 2.585 2.466 2.643 . 0 0 "[ . 1 . 2]" 1
1954 1 96 THR HA 1 97 ALA HA . . 4.410 4.333 4.314 4.346 . 0 0 "[ . 1 . 2]" 1
1955 1 96 THR HA 1 97 ALA MB . . 4.210 4.123 4.057 4.171 . 0 0 "[ . 1 . 2]" 1
1956 1 96 THR HB 1 97 ALA H . . 3.830 2.008 1.890 2.265 . 0 0 "[ . 1 . 2]" 1
1957 1 96 THR HG1 1 96 THR MG . . 3.310 2.198 1.960 2.531 . 0 0 "[ . 1 . 2]" 1
1958 1 96 THR MG 1 97 ALA H . . 3.960 3.261 3.032 3.456 . 0 0 "[ . 1 . 2]" 1
1959 1 97 ALA H 1 97 ALA MB . . 3.100 2.258 2.082 2.299 . 0 0 "[ . 1 . 2]" 1
1960 1 97 ALA HA 1 98 CYS H . . 2.860 2.269 2.143 2.522 . 0 0 "[ . 1 . 2]" 1
1961 1 97 ALA HA 1 98 CYS QB . . 4.300 4.191 3.979 4.306 0.006 2 0 "[ . 1 . 2]" 1
1962 1 97 ALA MB 1 98 CYS H . . 3.250 2.756 2.179 3.232 . 0 0 "[ . 1 . 2]" 1
1963 1 97 ALA MB 1 98 CYS QB . . 4.940 4.483 4.173 4.757 . 0 0 "[ . 1 . 2]" 1
1964 1 98 CYS H 1 98 CYS HB2 . . 3.720 3.087 2.184 3.734 0.014 12 0 "[ . 1 . 2]" 1
1965 1 98 CYS H 1 98 CYS QB . . 3.180 2.467 2.163 2.909 . 0 0 "[ . 1 . 2]" 1
1966 1 98 CYS H 1 98 CYS HB3 . . 3.720 2.942 2.411 3.661 . 0 0 "[ . 1 . 2]" 1
1967 1 98 CYS QB 1 99 PRO QD . . 3.330 2.296 1.973 3.291 . 0 0 "[ . 1 . 2]" 1
1968 1 98 CYS HB2 1 99 PRO HD2 . . 4.960 2.879 1.999 3.997 . 0 0 "[ . 1 . 2]" 1
1969 1 98 CYS HB2 1 99 PRO HD3 . . 4.960 4.095 3.418 4.831 . 0 0 "[ . 1 . 2]" 1
1970 1 98 CYS HB3 1 99 PRO HD2 . . 4.960 3.162 1.999 4.062 . 0 0 "[ . 1 . 2]" 1
1971 1 98 CYS HB3 1 99 PRO HD3 . . 4.960 4.253 3.445 4.955 . 0 0 "[ . 1 . 2]" 1
1972 1 99 PRO HA 1 100 SER H . . 3.570 3.050 2.157 3.572 0.002 6 0 "[ . 1 . 2]" 1
1973 1 99 PRO QG 1 100 SER H . . 4.960 3.251 1.896 4.754 . 0 0 "[ . 1 . 2]" 1
1974 1 100 SER QB 1 101 GLY H . . 4.370 2.960 2.099 4.050 . 0 0 "[ . 1 . 2]" 1
1975 1 101 GLY QA 1 102 PRO QD . . 2.650 1.957 1.864 2.021 . 0 0 "[ . 1 . 2]" 1
1976 1 101 GLY HA2 1 102 PRO QD . . 3.200 2.331 1.966 3.144 . 0 0 "[ . 1 . 2]" 1
1977 1 101 GLY HA3 1 102 PRO QD . . 3.200 2.328 1.878 2.802 . 0 0 "[ . 1 . 2]" 1
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