NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
495529 |
2l6p   |
17319 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l6p
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 1857
_Distance_constraint_stats_list.Viol_count 3923
_Distance_constraint_stats_list.Viol_total 14723.869
_Distance_constraint_stats_list.Viol_max 4.697
_Distance_constraint_stats_list.Viol_rms 0.1225
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0198
_Distance_constraint_stats_list.Viol_average_violations_only 0.1877
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 MET 2.561 0.102 20 0 "[ . 1 . 2]"
1 3 ARG 18.025 1.306 17 9 "[** ** * 1 ** +* 2]"
1 4 ILE 28.071 1.358 15 14 "[* ****** 1* *+** *-]"
1 5 PRO 6.486 0.823 19 4 "[- * . 1* . +2]"
1 6 SER 3.030 0.646 1 2 "[+ . - 1 . 2]"
1 7 ALA 20.611 0.784 15 8 "[* - . **1 *+ ** 2]"
1 8 ILE 15.396 0.982 12 9 "[ * *** * +- . **]"
1 9 GLN 8.066 0.454 6 0 "[ . 1 . 2]"
1 10 LEU 17.997 1.040 13 6 "[ * . * 1* + .- *2]"
1 11 HIS 50.140 1.545 17 19 "[****************+ -*]"
1 12 LYS 3.801 0.431 19 0 "[ . 1 . 2]"
1 13 ALA 0.083 0.056 19 0 "[ . 1 . 2]"
1 14 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 LYS 14.367 0.887 1 10 "[+ * * * 1 ***. **-2]"
1 16 THR 21.142 0.776 9 8 "[ * . * +1* *.* -*]"
1 17 LEU 23.815 1.545 17 18 "[******-*** *****+ **]"
1 18 THR 20.583 1.290 2 11 "[*+* *** 1 -*.** *2]"
1 19 LEU 21.153 0.982 12 17 "[-***** ***+*** ****]"
1 20 ARG 20.157 0.823 19 4 "[- * . 1* . +2]"
1 21 TYR 35.910 1.306 17 13 "[* ****-* *** * + *2]"
1 22 GLY 11.970 0.932 17 9 "[****. *1 *-. + *2]"
1 23 GLU 26.448 0.932 17 13 "[**-*.** ** ***. + *2]"
1 24 ASP 12.222 0.616 1 9 "[+ *.-* ** * *. * 2]"
1 25 SER 10.229 0.448 8 0 "[ . 1 . 2]"
1 26 TYR 24.019 1.290 2 9 "[*+* *** 1 -*. * 2]"
1 27 ASP 5.692 1.314 9 3 "[ - . *+1 . 2]"
1 28 LEU 6.397 1.524 9 5 "[ * . *+1 - .* 2]"
1 29 PRO 8.661 0.646 7 3 "[ -. + *1 . 2]"
1 30 ALA 11.616 0.802 11 4 "[*- . 1+ . *2]"
1 31 GLU 0.827 0.113 8 0 "[ . 1 . 2]"
1 32 PHE 27.333 0.840 11 11 "[ *-*** *1+ ** * *]"
1 33 LEU 1.946 0.334 20 0 "[ . 1 . 2]"
1 34 ARG 3.327 0.280 17 0 "[ . 1 . 2]"
1 35 VAL 7.017 0.630 7 6 "[ * .*+ 1 *- . *2]"
1 36 HIS 10.070 0.974 8 7 "[*-**. +** . 2]"
1 37 SER 0.078 0.043 10 0 "[ . 1 . 2]"
1 38 PRO 11.747 1.072 14 4 "[ . * 1 +*- 2]"
1 39 SER 1.265 0.310 10 0 "[ . 1 . 2]"
1 40 ALA 10.121 0.441 12 0 "[ . 1 . 2]"
1 41 GLU 11.093 0.441 12 0 "[ . 1 . 2]"
1 42 VAL 6.490 0.194 10 0 "[ . 1 . 2]"
1 43 GLN 8.393 0.894 17 3 "[ - 1 . + *]"
1 44 GLY 9.711 0.894 17 8 "[ * * - * * + **]"
1 45 HIS 7.065 0.660 2 5 "[ + . - * * *2]"
1 46 GLY 0.041 0.034 2 0 "[ . 1 . 2]"
1 47 ASN 8.364 0.630 19 1 "[ . 1 . +2]"
1 48 PRO 6.701 0.630 19 1 "[ . 1 . +2]"
1 49 VAL 6.885 0.298 7 0 "[ . 1 . 2]"
1 50 LEU 5.294 1.019 19 2 "[ - . 1 . +2]"
1 51 GLN 15.826 1.019 19 6 "[ * .** 1 *- . +2]"
1 52 TYR 13.215 0.598 4 3 "[ +* 1 . -2]"
1 53 GLY 0.312 0.067 3 0 "[ . 1 . 2]"
1 54 LYS 9.666 0.586 9 6 "[ . * +1 * -* * 2]"
1 55 LEU 4.909 0.698 4 2 "[ +. 1 -. 2]"
1 56 ASN 0.816 0.350 1 0 "[ . 1 . 2]"
1 57 VAL 5.135 0.418 13 0 "[ . 1 . 2]"
1 58 GLY 11.499 0.887 1 5 "[+ . * 1 *. * -2]"
1 59 LEU 11.780 1.040 13 6 "[*- . * 1* + . *2]"
1 60 VAL 7.176 0.121 5 0 "[ . 1 . 2]"
1 61 GLY 3.717 0.145 18 0 "[ . 1 . 2]"
1 62 VAL 2.284 0.088 17 0 "[ . 1 . 2]"
1 63 GLU 8.879 0.648 20 2 "[ -. 1 . +]"
1 64 PRO 4.030 0.435 8 0 "[ . 1 . 2]"
1 65 ALA 1.130 0.090 18 0 "[ . 1 . 2]"
1 66 GLY 1.291 0.089 6 0 "[ . 1 . 2]"
1 67 GLN 1.795 0.450 7 0 "[ . 1 . 2]"
1 68 TYR 3.121 0.450 7 0 "[ . 1 . 2]"
1 69 ALA 7.980 0.525 13 3 "[ - . * 1 + . 2]"
1 70 LEU 11.017 0.889 1 6 "[+- * ** *. 2]"
1 71 LYS 40.460 2.725 4 16 "[***+* * ******** -*]"
1 72 LEU 14.666 1.333 17 10 "[ * *.** *- **. +* 2]"
1 73 SER 4.680 0.241 15 0 "[ . 1 . 2]"
1 74 PHE 33.338 2.131 19 18 "[ ***.-************+*]"
1 75 ASP 0.697 0.097 5 0 "[ . 1 . 2]"
1 76 ASP 0.243 0.144 5 0 "[ . 1 . 2]"
1 77 GLY 0.166 0.041 11 0 "[ . 1 . 2]"
1 78 HIS 23.743 2.131 19 16 "[ ***.-****** **** +*]"
1 79 ASP 0.271 0.079 19 0 "[ . 1 . 2]"
1 80 SER 75.997 4.697 5 16 "[****+ ** * -***** **]"
1 81 GLY 37.584 2.725 4 16 "[***+* * ******** -*]"
1 83 PHE 91.414 4.697 5 16 "[****+ ** * -***** **]"
1 84 THR 1.540 0.108 14 0 "[ . 1 . 2]"
1 85 TRP 37.079 1.358 15 16 "[* *****- ** **+** **]"
1 86 ASP 3.028 0.358 18 0 "[ . 1 . 2]"
1 87 TYR 20.847 0.684 14 4 "[ *. * 1 +.- 2]"
1 88 LEU 6.563 0.434 5 0 "[ . 1 . 2]"
1 89 TYR 9.868 0.524 5 2 "[ + - 1 . 2]"
1 90 GLU 11.195 0.714 4 7 "[ *+. * - * . * *2]"
1 91 LEU 18.594 0.840 11 8 "[*- .* **1+ * * 2]"
1 92 ALA 1.782 0.106 9 0 "[ . 1 . 2]"
1 93 THR 4.586 0.714 4 1 "[ +. 1 . 2]"
1 94 ARG 4.629 0.672 17 4 "[- . **1 . + 2]"
1 95 LYS 12.603 1.524 9 5 "[ * . *+1 - .* 2]"
1 96 ASP 6.987 0.682 17 3 "[ -. 1 . + *2]"
1 97 GLN 0.760 0.274 17 0 "[ . 1 . 2]"
1 98 LEU 10.846 0.736 20 4 "[ * * 1 .- +]"
1 99 TRP 11.490 0.682 17 3 "[ -. 1 . + *2]"
1 100 ALA 12.176 0.757 9 10 "[ *** *+-** *. *2]"
1 101 ASP 1.299 0.323 13 0 "[ . 1 . 2]"
1 102 TYR 21.538 0.757 9 11 "[ *** *+-****. *2]"
1 103 LEU 2.208 0.162 10 0 "[ . 1 . 2]"
1 104 ALA 1.660 0.089 2 0 "[ . 1 . 2]"
1 105 GLU 8.663 0.528 13 1 "[ . 1 + . 2]"
1 106 LEU 20.589 0.991 2 11 "[ + ** **1*** . * -*]"
1 107 ALA 9.271 1.050 5 6 "[- * + *1 * .* 2]"
1 108 SER 0.179 0.076 9 0 "[ . 1 . 2]"
1 109 ALA 2.967 0.503 14 1 "[ . 1 +. 2]"
1 110 GLY 2.527 0.603 1 1 "[+ . 1 . 2]"
1 111 LYS 12.725 1.050 5 7 "[* * + *1 *-.* 2]"
1 112 SER 16.155 0.991 2 10 "[ + *- **1*** . * *]"
1 113 ARG 2.006 0.148 14 0 "[ . 1 . 2]"
1 114 ASP 8.452 0.698 4 2 "[ +. 1 -. 2]"
1 115 PRO 6.326 0.827 11 1 "[ . 1+ . 2]"
1 116 ASP 3.905 0.827 11 1 "[ . 1+ . 2]"
1 117 GLU 12.944 0.527 8 2 "[ .- + 1 . 2]"
1 118 SER 8.020 0.452 8 0 "[ . 1 . 2]"
1 119 VAL 2.032 0.149 9 0 "[ . 1 . 2]"
1 120 VAL 0.557 0.083 1 0 "[ . 1 . 2]"
1 121 LYS 11.371 1.697 5 10 "[* * +* -1** * * *]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 MET HA 1 2 MET ME . . 4.950 4.190 3.716 4.608 . 0 0 "[ . 1 . 2]" 1
2 1 2 MET HA 1 2 MET QG . . 3.390 2.697 2.140 3.244 . 0 0 "[ . 1 . 2]" 1
3 1 2 MET HA 1 3 ARG H . . 2.650 2.344 2.047 2.673 0.023 15 0 "[ . 1 . 2]" 1
4 1 2 MET HA 1 3 ARG QB . . 4.300 4.221 3.962 4.382 0.082 15 0 "[ . 1 . 2]" 1
5 1 2 MET HA 1 3 ARG QG . . 4.510 4.070 3.426 4.584 0.074 20 0 "[ . 1 . 2]" 1
6 1 2 MET HA 1 4 ILE H . . 5.500 5.065 4.348 5.497 . 0 0 "[ . 1 . 2]" 1
7 1 2 MET HA 1 85 TRP HB2 . . 5.040 5.025 4.517 5.114 0.074 17 0 "[ . 1 . 2]" 1
8 1 2 MET QB 1 2 MET ME . . 2.480 2.253 2.028 2.526 0.046 4 0 "[ . 1 . 2]" 1
9 1 2 MET QB 1 3 ARG H . . 3.570 2.871 2.205 3.650 0.080 9 0 "[ . 1 . 2]" 1
10 1 2 MET QB 1 3 ARG HA . . 4.840 4.564 4.163 4.942 0.102 20 0 "[ . 1 . 2]" 1
11 1 2 MET QB 1 4 ILE H . . 5.170 3.937 2.982 4.813 . 0 0 "[ . 1 . 2]" 1
12 1 2 MET QB 1 4 ILE MD . . 3.880 2.795 2.097 3.456 . 0 0 "[ . 1 . 2]" 1
13 1 2 MET QB 1 4 ILE HG12 . . 4.340 3.449 2.587 4.410 0.070 14 0 "[ . 1 . 2]" 1
14 1 2 MET QB 1 4 ILE HG13 . . 4.290 2.487 2.072 3.103 . 0 0 "[ . 1 . 2]" 1
15 1 2 MET QB 1 85 TRP HB2 . . 4.240 3.859 3.132 4.314 0.074 6 0 "[ . 1 . 2]" 1
16 1 2 MET QB 1 85 TRP HB3 . . 4.600 4.230 3.143 4.656 0.056 7 0 "[ . 1 . 2]" 1
17 1 2 MET QB 1 85 TRP HD1 . . 4.320 3.787 2.526 4.378 0.058 1 0 "[ . 1 . 2]" 1
18 1 2 MET ME 1 2 MET QG . . 3.570 2.446 2.235 2.679 . 0 0 "[ . 1 . 2]" 1
19 1 2 MET ME 1 4 ILE MD . . 4.070 2.936 2.013 4.158 0.088 15 0 "[ . 1 . 2]" 1
20 1 2 MET QG 1 3 ARG H . . 4.570 3.257 1.815 4.161 . 0 0 "[ . 1 . 2]" 1
21 1 2 MET QG 1 4 ILE MD . . 4.850 3.038 2.059 4.488 . 0 0 "[ . 1 . 2]" 1
22 1 2 MET QG 1 4 ILE HG12 . . 5.130 3.807 2.635 4.805 . 0 0 "[ . 1 . 2]" 1
23 1 2 MET QG 1 4 ILE HG13 . . 5.020 3.070 2.019 4.193 . 0 0 "[ . 1 . 2]" 1
24 1 2 MET QG 1 85 TRP HD1 . . 5.050 4.002 2.252 4.952 . 0 0 "[ . 1 . 2]" 1
25 1 3 ARG H 1 3 ARG QB . . 3.180 2.353 2.062 3.204 0.024 20 0 "[ . 1 . 2]" 1
26 1 3 ARG H 1 3 ARG HD2 . . 5.050 5.407 4.878 5.591 0.541 18 7 "[ * ** 1 ** -+ 2]" 1
27 1 3 ARG H 1 3 ARG HD3 . . 5.320 5.094 4.545 5.372 0.052 10 0 "[ . 1 . 2]" 1
28 1 3 ARG H 1 3 ARG QG . . 3.740 3.070 2.683 3.706 . 0 0 "[ . 1 . 2]" 1
29 1 3 ARG H 1 4 ILE H . . 4.050 3.717 3.014 4.076 0.026 12 0 "[ . 1 . 2]" 1
30 1 3 ARG H 1 4 ILE HG12 . . 5.500 4.861 4.034 5.577 0.077 13 0 "[ . 1 . 2]" 1
31 1 3 ARG H 1 85 TRP HB2 . . 4.980 3.962 3.498 4.997 0.017 20 0 "[ . 1 . 2]" 1
32 1 3 ARG H 1 85 TRP HB3 . . 4.670 3.632 2.962 4.664 . 0 0 "[ . 1 . 2]" 1
33 1 3 ARG HA 1 3 ARG HD2 . . 3.990 4.002 3.803 4.071 0.081 17 0 "[ . 1 . 2]" 1
34 1 3 ARG HA 1 3 ARG HD3 . . 3.980 3.198 2.638 3.608 . 0 0 "[ . 1 . 2]" 1
35 1 3 ARG HA 1 3 ARG QG . . 3.430 2.585 2.272 3.002 . 0 0 "[ . 1 . 2]" 1
36 1 3 ARG HA 1 4 ILE H . . 2.660 2.401 2.179 2.659 . 0 0 "[ . 1 . 2]" 1
37 1 3 ARG HA 1 4 ILE HA . . 4.570 4.527 4.453 4.599 0.029 7 0 "[ . 1 . 2]" 1
38 1 3 ARG HA 1 4 ILE MD . . 5.500 5.521 4.964 5.601 0.101 6 0 "[ . 1 . 2]" 1
39 1 3 ARG HA 1 89 TYR QD . . 5.030 3.837 2.800 4.482 . 0 0 "[ . 1 . 2]" 1
40 1 3 ARG QB 1 3 ARG HD2 . . 3.650 2.923 2.108 3.457 . 0 0 "[ . 1 . 2]" 1
41 1 3 ARG QB 1 3 ARG HD3 . . 3.630 2.351 2.028 2.731 . 0 0 "[ . 1 . 2]" 1
42 1 3 ARG QB 1 21 TYR QE . . 5.240 4.483 3.978 4.590 . 0 0 "[ . 1 . 2]" 1
43 1 3 ARG QB 1 85 TRP HB3 . . 4.810 3.498 2.426 4.282 . 0 0 "[ . 1 . 2]" 1
44 1 3 ARG QB 1 89 TYR QB . . 4.480 2.442 2.134 3.245 . 0 0 "[ . 1 . 2]" 1
45 1 3 ARG QB 1 89 TYR QD . . 3.810 2.107 1.977 2.374 . 0 0 "[ . 1 . 2]" 1
46 1 3 ARG HD2 1 21 TYR QD . . 4.660 4.140 3.070 4.726 0.066 17 0 "[ . 1 . 2]" 1
47 1 3 ARG HD2 1 21 TYR QE . . 4.180 3.169 2.445 4.134 . 0 0 "[ . 1 . 2]" 1
48 1 3 ARG HD3 1 21 TYR QD . . 4.110 4.043 3.670 4.182 0.072 14 0 "[ . 1 . 2]" 1
49 1 3 ARG HD3 1 21 TYR QE . . 4.220 3.707 3.020 4.260 0.040 17 0 "[ . 1 . 2]" 1
50 1 3 ARG HD3 1 89 TYR QD . . 5.500 3.564 2.443 4.835 . 0 0 "[ . 1 . 2]" 1
51 1 3 ARG HE 1 21 TYR QD . . 5.500 5.253 4.160 6.806 1.306 17 4 "[- . * 1 * + 2]" 1
52 1 3 ARG QG 1 21 TYR QD . . 5.200 5.097 4.303 5.300 0.100 20 0 "[ . 1 . 2]" 1
53 1 3 ARG QG 1 21 TYR QE . . 4.170 3.967 3.421 4.249 0.079 12 0 "[ . 1 . 2]" 1
54 1 3 ARG QG 1 89 TYR QD . . 5.060 4.057 3.666 4.441 . 0 0 "[ . 1 . 2]" 1
55 1 4 ILE H 1 4 ILE HB . . 3.120 2.577 2.399 2.724 . 0 0 "[ . 1 . 2]" 1
56 1 4 ILE H 1 4 ILE MD . . 4.190 3.790 2.978 4.126 . 0 0 "[ . 1 . 2]" 1
57 1 4 ILE H 1 4 ILE HG12 . . 4.000 3.778 3.390 4.061 0.061 4 0 "[ . 1 . 2]" 1
58 1 4 ILE H 1 4 ILE HG13 . . 3.530 2.611 2.134 2.921 . 0 0 "[ . 1 . 2]" 1
59 1 4 ILE H 1 4 ILE MG . . 3.890 3.859 3.784 3.908 0.018 11 0 "[ . 1 . 2]" 1
60 1 4 ILE H 1 89 TYR QD . . 5.110 4.633 3.808 5.282 0.172 15 0 "[ . 1 . 2]" 1
61 1 4 ILE H 1 89 TYR QE . . 4.540 4.142 3.170 4.584 0.044 11 0 "[ . 1 . 2]" 1
62 1 4 ILE HA 1 4 ILE MD . . 3.820 3.841 3.750 3.910 0.090 20 0 "[ . 1 . 2]" 1
63 1 4 ILE HA 1 4 ILE HG12 . . 3.720 2.558 2.351 2.999 . 0 0 "[ . 1 . 2]" 1
64 1 4 ILE HA 1 4 ILE HG13 . . 3.880 2.989 2.648 3.325 . 0 0 "[ . 1 . 2]" 1
65 1 4 ILE HA 1 4 ILE MG . . 3.120 2.388 2.245 2.553 . 0 0 "[ . 1 . 2]" 1
66 1 4 ILE HA 1 5 PRO HD2 . . 3.450 2.215 2.065 2.339 . 0 0 "[ . 1 . 2]" 1
67 1 4 ILE HA 1 85 TRP HE3 . . 5.040 3.828 3.121 4.641 . 0 0 "[ . 1 . 2]" 1
68 1 4 ILE HA 1 85 TRP HH2 . . 5.400 5.575 4.706 6.028 0.628 5 4 "[- + 1 .** 2]" 1
69 1 4 ILE HA 1 85 TRP HZ3 . . 4.220 4.928 3.955 5.578 1.358 15 13 "[* *-**** 1* *+** *2]" 1
70 1 4 ILE HA 1 89 TYR QD . . 5.130 4.200 3.376 4.576 . 0 0 "[ . 1 . 2]" 1
71 1 4 ILE HA 1 89 TYR QE . . 5.010 3.751 3.229 4.202 . 0 0 "[ . 1 . 2]" 1
72 1 4 ILE HB 1 4 ILE MD . . 3.330 2.422 2.201 2.576 . 0 0 "[ . 1 . 2]" 1
73 1 4 ILE HB 1 5 PRO HD2 . . 4.870 4.393 4.144 4.727 . 0 0 "[ . 1 . 2]" 1
74 1 4 ILE MD 1 4 ILE MG . . 2.850 2.116 2.051 2.421 . 0 0 "[ . 1 . 2]" 1
75 1 4 ILE MD 1 85 TRP HB2 . . 5.120 4.867 3.791 5.888 0.768 15 3 "[ . 1* + -]" 1
76 1 4 ILE MD 1 85 TRP HD1 . . 4.200 3.410 2.525 4.263 0.063 15 0 "[ . 1 . 2]" 1
77 1 4 ILE MD 1 85 TRP HE1 . . 4.160 3.356 2.614 4.234 0.074 14 0 "[ . 1 . 2]" 1
78 1 4 ILE HG12 1 5 PRO HD2 . . 4.990 4.049 3.608 4.740 . 0 0 "[ . 1 . 2]" 1
79 1 4 ILE HG12 1 85 TRP HB2 . . 5.140 4.019 2.649 4.958 . 0 0 "[ . 1 . 2]" 1
80 1 4 ILE HG12 1 85 TRP HB3 . . 4.990 3.662 2.479 4.741 . 0 0 "[ . 1 . 2]" 1
81 1 4 ILE HG12 1 85 TRP HD1 . . 3.850 2.926 2.329 3.480 . 0 0 "[ . 1 . 2]" 1
82 1 4 ILE HG12 1 85 TRP HE1 . . 4.470 3.315 2.594 4.132 . 0 0 "[ . 1 . 2]" 1
83 1 4 ILE HG13 1 85 TRP HD1 . . 4.540 3.888 3.218 4.452 . 0 0 "[ . 1 . 2]" 1
84 1 4 ILE MG 1 5 PRO HA . . 5.350 4.229 4.038 4.392 . 0 0 "[ . 1 . 2]" 1
85 1 4 ILE MG 1 5 PRO HD2 . . 3.300 2.349 2.072 2.926 . 0 0 "[ . 1 . 2]" 1
86 1 4 ILE MG 1 5 PRO HD3 . . 4.270 3.657 3.388 4.151 . 0 0 "[ . 1 . 2]" 1
87 1 4 ILE MG 1 5 PRO HG3 . . 5.370 4.528 4.240 4.978 . 0 0 "[ . 1 . 2]" 1
88 1 4 ILE MG 1 6 SER HA . . 5.180 4.514 3.766 5.137 . 0 0 "[ . 1 . 2]" 1
89 1 4 ILE MG 1 8 ILE MD . . 4.800 4.647 3.876 4.911 0.111 15 0 "[ . 1 . 2]" 1
90 1 4 ILE MG 1 85 TRP HE1 . . 4.840 3.418 2.761 4.010 . 0 0 "[ . 1 . 2]" 1
91 1 4 ILE MG 1 85 TRP HE3 . . 5.020 4.538 3.559 5.303 0.283 15 0 "[ . 1 . 2]" 1
92 1 4 ILE MG 1 85 TRP HH2 . . 4.410 4.135 3.220 4.471 0.061 2 0 "[ . 1 . 2]" 1
93 1 4 ILE MG 1 85 TRP HZ2 . . 4.410 3.418 2.908 3.924 . 0 0 "[ . 1 . 2]" 1
94 1 4 ILE MG 1 85 TRP HZ3 . . 5.250 4.639 3.657 5.306 0.056 15 0 "[ . 1 . 2]" 1
95 1 4 ILE MG 1 89 TYR QE . . 4.840 4.754 4.669 4.896 0.056 13 0 "[ . 1 . 2]" 1
96 1 5 PRO HA 1 6 SER H . . 2.970 2.234 2.032 2.433 . 0 0 "[ . 1 . 2]" 1
97 1 5 PRO HA 1 7 ALA H . . 3.790 3.631 3.192 3.818 0.028 19 0 "[ . 1 . 2]" 1
98 1 5 PRO HA 1 20 ARG H . . 5.280 4.609 3.801 5.059 . 0 0 "[ . 1 . 2]" 1
99 1 5 PRO HA 1 89 TYR QE . . 3.960 2.494 2.105 3.550 . 0 0 "[ . 1 . 2]" 1
100 1 5 PRO HB2 1 6 SER H . . 3.750 2.903 2.203 3.509 . 0 0 "[ . 1 . 2]" 1
101 1 5 PRO HB2 1 6 SER HA . . 4.890 4.206 3.990 4.532 . 0 0 "[ . 1 . 2]" 1
102 1 5 PRO HB2 1 7 ALA H . . 3.720 2.807 2.050 3.626 . 0 0 "[ . 1 . 2]" 1
103 1 5 PRO HB2 1 19 LEU HA . . 4.930 4.380 3.026 5.124 0.194 19 0 "[ . 1 . 2]" 1
104 1 5 PRO HB2 1 20 ARG H . . 4.170 4.343 3.261 4.993 0.823 19 4 "[- * . 1* . +2]" 1
105 1 5 PRO HB3 1 89 TYR QE . . 4.970 2.842 2.464 3.201 . 0 0 "[ . 1 . 2]" 1
106 1 5 PRO HD2 1 8 ILE MD . . 4.470 3.899 3.584 4.265 . 0 0 "[ . 1 . 2]" 1
107 1 5 PRO HD2 1 85 TRP HE3 . . 4.550 3.252 2.608 3.946 . 0 0 "[ . 1 . 2]" 1
108 1 5 PRO HD2 1 85 TRP HZ3 . . 4.320 3.238 2.314 3.793 . 0 0 "[ . 1 . 2]" 1
109 1 5 PRO HD2 1 89 TYR QE . . 4.790 4.062 3.818 4.384 . 0 0 "[ . 1 . 2]" 1
110 1 5 PRO HD3 1 85 TRP HE3 . . 4.580 2.968 2.521 3.571 . 0 0 "[ . 1 . 2]" 1
111 1 5 PRO HD3 1 85 TRP HZ3 . . 5.010 3.513 2.874 4.069 . 0 0 "[ . 1 . 2]" 1
112 1 5 PRO HD3 1 89 TYR QE . . 4.620 2.725 2.327 3.195 . 0 0 "[ . 1 . 2]" 1
113 1 5 PRO HG2 1 85 TRP HH2 . . 5.020 3.530 2.956 4.140 . 0 0 "[ . 1 . 2]" 1
114 1 5 PRO HG2 1 85 TRP HZ3 . . 4.280 3.202 2.480 3.789 . 0 0 "[ . 1 . 2]" 1
115 1 5 PRO HG2 1 89 TYR QE . . 5.010 4.705 4.402 4.840 . 0 0 "[ . 1 . 2]" 1
116 1 5 PRO HG3 1 19 LEU QD . . 3.700 2.736 2.010 3.442 . 0 0 "[ . 1 . 2]" 1
117 1 5 PRO HG3 1 85 TRP HZ3 . . 5.170 2.570 2.218 3.420 . 0 0 "[ . 1 . 2]" 1
118 1 5 PRO HG3 1 89 TYR QE . . 4.630 4.109 3.686 4.490 . 0 0 "[ . 1 . 2]" 1
119 1 6 SER H 1 6 SER HB2 . . 3.760 2.678 2.376 3.282 . 0 0 "[ . 1 . 2]" 1
120 1 6 SER H 1 7 ALA H . . 3.060 1.954 1.690 2.372 . 0 0 "[ . 1 . 2]" 1
121 1 6 SER H 1 7 ALA MB . . 4.850 3.839 3.632 4.039 . 0 0 "[ . 1 . 2]" 1
122 1 6 SER H 1 20 ARG H . . 4.830 4.589 4.089 4.836 0.006 13 0 "[ . 1 . 2]" 1
123 1 6 SER H 1 89 TYR QE . . 5.500 4.466 4.114 5.204 . 0 0 "[ . 1 . 2]" 1
124 1 6 SER HA 1 7 ALA HA . . 5.060 4.515 4.137 4.721 . 0 0 "[ . 1 . 2]" 1
125 1 6 SER HA 1 7 ALA MB . . 5.470 4.890 4.672 5.085 . 0 0 "[ . 1 . 2]" 1
126 1 6 SER HB2 1 7 ALA H . . 3.950 3.468 2.655 4.249 0.299 8 0 "[ . 1 . 2]" 1
127 1 6 SER HB2 1 7 ALA MB . . 4.810 4.279 3.646 5.456 0.646 1 2 "[+ . - 1 . 2]" 1
128 1 6 SER HB3 1 7 ALA H . . 4.180 4.088 2.893 4.264 0.084 15 0 "[ . 1 . 2]" 1
129 1 6 SER HB3 1 7 ALA MB . . 4.800 4.643 4.134 5.004 0.204 4 0 "[ . 1 . 2]" 1
130 1 7 ALA H 1 7 ALA MB . . 3.410 2.466 2.223 2.719 . 0 0 "[ . 1 . 2]" 1
131 1 7 ALA H 1 8 ILE H . . 4.640 3.802 3.097 4.468 . 0 0 "[ . 1 . 2]" 1
132 1 7 ALA H 1 20 ARG H . . 3.760 4.014 3.853 4.047 0.287 9 0 "[ . 1 . 2]" 1
133 1 7 ALA H 1 20 ARG HB3 . . 3.760 3.820 3.423 4.127 0.367 7 0 "[ . 1 . 2]" 1
134 1 7 ALA H 1 89 TYR QE . . 5.500 5.298 4.900 5.598 0.098 17 0 "[ . 1 . 2]" 1
135 1 7 ALA HA 1 8 ILE H . . 2.700 2.295 2.048 2.764 0.064 12 0 "[ . 1 . 2]" 1
136 1 7 ALA HA 1 8 ILE HB . . 5.090 4.752 4.426 5.039 . 0 0 "[ . 1 . 2]" 1
137 1 7 ALA HA 1 8 ILE QG . . 4.640 4.391 3.901 4.569 . 0 0 "[ . 1 . 2]" 1
138 1 7 ALA MB 1 8 ILE H . . 3.650 3.488 2.934 3.769 0.119 3 0 "[ . 1 . 2]" 1
139 1 7 ALA MB 1 8 ILE HA . . 4.340 4.221 3.973 4.422 0.082 18 0 "[ . 1 . 2]" 1
140 1 7 ALA MB 1 9 GLN H . . 5.280 4.272 3.451 4.990 . 0 0 "[ . 1 . 2]" 1
141 1 7 ALA MB 1 9 GLN HB2 . . 4.650 4.096 3.081 4.740 0.090 14 0 "[ . 1 . 2]" 1
142 1 7 ALA MB 1 9 GLN HE21 . . 5.130 4.199 3.276 5.335 0.205 18 0 "[ . 1 . 2]" 1
143 1 7 ALA MB 1 9 GLN HE22 . . 5.340 5.054 4.480 5.364 0.024 13 0 "[ . 1 . 2]" 1
144 1 7 ALA MB 1 9 GLN QG . . 4.200 3.799 2.993 4.303 0.103 5 0 "[ . 1 . 2]" 1
145 1 7 ALA MB 1 19 LEU QD . . 4.170 4.440 3.897 4.954 0.784 15 6 "[ - . *1 *+ ** 2]" 1
146 1 7 ALA MB 1 20 ARG HB2 . . 3.150 2.699 2.045 3.196 0.046 2 0 "[ . 1 . 2]" 1
147 1 7 ALA MB 1 20 ARG HB3 . . 3.250 2.971 2.334 3.319 0.069 2 0 "[ . 1 . 2]" 1
148 1 7 ALA MB 1 20 ARG QD . . 4.000 3.390 2.493 4.031 0.031 16 0 "[ . 1 . 2]" 1
149 1 8 ILE H 1 8 ILE HB . . 3.360 2.593 2.263 2.852 . 0 0 "[ . 1 . 2]" 1
150 1 8 ILE H 1 8 ILE MD . . 4.340 3.610 2.969 4.186 . 0 0 "[ . 1 . 2]" 1
151 1 8 ILE H 1 8 ILE QG . . 3.910 2.702 2.020 3.351 . 0 0 "[ . 1 . 2]" 1
152 1 8 ILE H 1 8 ILE MG . . 4.030 3.827 3.659 3.935 . 0 0 "[ . 1 . 2]" 1
153 1 8 ILE H 1 9 GLN H . . 4.670 4.097 3.394 4.500 . 0 0 "[ . 1 . 2]" 1
154 1 8 ILE H 1 9 GLN QG . . 5.100 4.499 3.507 5.098 . 0 0 "[ . 1 . 2]" 1
155 1 8 ILE HA 1 8 ILE MD . . 4.330 2.298 2.051 2.551 . 0 0 "[ . 1 . 2]" 1
156 1 8 ILE HA 1 8 ILE QG . . 4.000 3.093 2.914 3.302 . 0 0 "[ . 1 . 2]" 1
157 1 8 ILE HA 1 8 ILE MG . . 3.220 2.409 2.179 2.741 . 0 0 "[ . 1 . 2]" 1
158 1 8 ILE HA 1 9 GLN H . . 2.830 2.175 2.047 2.335 . 0 0 "[ . 1 . 2]" 1
159 1 8 ILE HA 1 18 THR H . . 4.900 4.737 4.232 4.919 0.019 7 0 "[ . 1 . 2]" 1
160 1 8 ILE HA 1 19 LEU QD . . 3.510 3.314 2.358 3.573 0.063 12 0 "[ . 1 . 2]" 1
161 1 8 ILE HB 1 8 ILE MD . . 3.140 3.235 3.210 3.246 0.106 10 0 "[ . 1 . 2]" 1
162 1 8 ILE HB 1 9 GLN H . . 4.410 4.368 4.171 4.470 0.060 13 0 "[ . 1 . 2]" 1
163 1 8 ILE MD 1 8 ILE MG . . 2.860 2.095 2.026 2.164 . 0 0 "[ . 1 . 2]" 1
164 1 8 ILE MD 1 85 TRP HH2 . . 3.290 3.101 2.542 3.368 0.078 19 0 "[ . 1 . 2]" 1
165 1 8 ILE MD 1 85 TRP HZ2 . . 5.270 5.097 4.484 5.361 0.091 18 0 "[ . 1 . 2]" 1
166 1 8 ILE MD 1 85 TRP HZ3 . . 3.940 2.931 2.197 3.714 . 0 0 "[ . 1 . 2]" 1
167 1 8 ILE QG 1 19 LEU QD . . 3.930 4.349 3.691 4.912 0.982 12 9 "[ * *** * +- . **]" 1
168 1 8 ILE MG 1 9 GLN H . . 3.560 3.179 2.769 3.650 0.090 8 0 "[ . 1 . 2]" 1
169 1 8 ILE MG 1 18 THR H . . 4.920 4.881 4.425 5.019 0.099 19 0 "[ . 1 . 2]" 1
170 1 9 GLN H 1 9 GLN HB2 . . 3.320 2.586 2.206 2.882 . 0 0 "[ . 1 . 2]" 1
171 1 9 GLN H 1 9 GLN HB3 . . 3.360 3.601 3.199 3.814 0.454 6 0 "[ . 1 . 2]" 1
172 1 9 GLN H 1 9 GLN QG . . 3.860 3.578 3.218 3.918 0.058 16 0 "[ . 1 . 2]" 1
173 1 9 GLN H 1 18 THR H . . 3.890 3.129 2.722 3.390 . 0 0 "[ . 1 . 2]" 1
174 1 9 GLN H 1 18 THR HB . . 3.770 3.429 2.732 3.783 0.013 19 0 "[ . 1 . 2]" 1
175 1 9 GLN H 1 19 LEU QD . . 4.170 3.966 3.312 4.206 0.036 4 0 "[ . 1 . 2]" 1
176 1 9 GLN HA 1 9 GLN QG . . 3.410 2.201 2.022 2.359 . 0 0 "[ . 1 . 2]" 1
177 1 9 GLN HA 1 10 LEU H . . 2.740 2.220 2.110 2.316 . 0 0 "[ . 1 . 2]" 1
178 1 9 GLN HB2 1 18 THR H . . 4.460 3.506 3.053 4.046 . 0 0 "[ . 1 . 2]" 1
179 1 9 GLN HB2 1 18 THR HB . . 3.370 2.187 2.000 2.765 . 0 0 "[ . 1 . 2]" 1
180 1 9 GLN HB2 1 18 THR MG . . 4.450 3.257 2.774 3.695 . 0 0 "[ . 1 . 2]" 1
181 1 9 GLN HB3 1 9 GLN HE22 . . 5.500 3.951 3.633 4.289 . 0 0 "[ . 1 . 2]" 1
182 1 9 GLN HB3 1 10 LEU H . . 4.340 3.700 2.982 4.276 . 0 0 "[ . 1 . 2]" 1
183 1 9 GLN HB3 1 11 HIS HD2 . . 5.080 2.702 2.471 3.252 . 0 0 "[ . 1 . 2]" 1
184 1 9 GLN HB3 1 11 HIS HE1 . . 4.460 4.182 3.803 4.500 0.040 5 0 "[ . 1 . 2]" 1
185 1 9 GLN HB3 1 18 THR H . . 4.530 3.802 3.061 4.336 . 0 0 "[ . 1 . 2]" 1
186 1 9 GLN HB3 1 18 THR HB . . 3.680 2.970 2.179 3.724 0.044 6 0 "[ . 1 . 2]" 1
187 1 9 GLN HB3 1 18 THR MG . . 4.410 4.114 3.466 4.493 0.083 1 0 "[ . 1 . 2]" 1
188 1 9 GLN HE21 1 11 HIS HE1 . . 5.500 4.022 2.392 5.122 . 0 0 "[ . 1 . 2]" 1
189 1 9 GLN HE22 1 9 GLN QG . . 3.580 3.463 3.280 3.584 0.004 4 0 "[ . 1 . 2]" 1
190 1 9 GLN HE22 1 11 HIS HE1 . . 5.460 3.312 2.752 4.146 . 0 0 "[ . 1 . 2]" 1
191 1 9 GLN HE22 1 18 THR MG . . 5.500 3.585 2.656 4.604 . 0 0 "[ . 1 . 2]" 1
192 1 9 GLN QG 1 11 HIS HE1 . . 4.800 4.506 3.435 4.847 0.047 8 0 "[ . 1 . 2]" 1
193 1 9 GLN QG 1 18 THR HB . . 4.310 4.130 3.859 4.380 0.070 5 0 "[ . 1 . 2]" 1
194 1 9 GLN QG 1 18 THR MG . . 4.860 4.466 3.910 4.890 0.030 16 0 "[ . 1 . 2]" 1
195 1 10 LEU H 1 10 LEU HB2 . . 3.520 3.582 2.852 3.692 0.172 19 0 "[ . 1 . 2]" 1
196 1 10 LEU H 1 10 LEU HB3 . . 3.250 2.527 2.045 2.805 . 0 0 "[ . 1 . 2]" 1
197 1 10 LEU H 1 10 LEU QD . . 4.740 2.387 1.875 3.723 . 0 0 "[ . 1 . 2]" 1
198 1 10 LEU H 1 10 LEU HG . . 4.670 3.631 2.419 4.145 . 0 0 "[ . 1 . 2]" 1
199 1 10 LEU H 1 18 THR HB . . 5.500 5.768 5.266 6.154 0.654 19 3 "[ * . 1 .- +2]" 1
200 1 10 LEU HA 1 10 LEU QD . . 4.170 3.309 2.404 3.472 . 0 0 "[ . 1 . 2]" 1
201 1 10 LEU HA 1 11 HIS H . . 3.050 3.267 2.321 3.403 0.353 9 0 "[ . 1 . 2]" 1
202 1 10 LEU HA 1 11 HIS HD2 . . 5.170 4.313 3.731 4.788 . 0 0 "[ . 1 . 2]" 1
203 1 10 LEU HA 1 17 LEU HA . . 3.480 2.380 1.930 3.013 . 0 0 "[ . 1 . 2]" 1
204 1 10 LEU HA 1 18 THR H . . 4.320 3.546 2.674 4.042 . 0 0 "[ . 1 . 2]" 1
205 1 10 LEU HB2 1 11 HIS H . . 4.600 4.428 4.248 4.572 . 0 0 "[ . 1 . 2]" 1
206 1 10 LEU HB3 1 10 LEU QD . . 2.970 2.162 2.108 2.235 . 0 0 "[ . 1 . 2]" 1
207 1 10 LEU HB3 1 11 HIS H . . 4.620 4.176 3.284 4.570 . 0 0 "[ . 1 . 2]" 1
208 1 10 LEU QD 1 11 HIS H . . 3.180 2.810 2.382 3.595 0.415 9 0 "[ . 1 . 2]" 1
209 1 10 LEU QD 1 12 LYS H . . 5.400 2.765 2.342 3.677 . 0 0 "[ . 1 . 2]" 1
210 1 10 LEU QD 1 12 LYS HA . . 3.930 3.223 2.159 3.743 . 0 0 "[ . 1 . 2]" 1
211 1 10 LEU QD 1 12 LYS QE . . 3.930 3.083 2.008 3.875 . 0 0 "[ . 1 . 2]" 1
212 1 10 LEU QD 1 12 LYS HG2 . . 3.870 2.456 1.948 3.536 . 0 0 "[ . 1 . 2]" 1
213 1 10 LEU QD 1 59 LEU QB . . 3.680 3.065 2.191 4.720 1.040 13 3 "[ . - 1* + . 2]" 1
214 1 10 LEU QD 1 59 LEU QD . . 4.290 2.554 2.033 3.167 . 0 0 "[ . 1 . 2]" 1
215 1 10 LEU QD 1 61 GLY H . . 4.650 3.792 2.855 4.657 0.007 13 0 "[ . 1 . 2]" 1
216 1 10 LEU QD 1 61 GLY HA2 . . 3.500 2.556 2.086 2.901 . 0 0 "[ . 1 . 2]" 1
217 1 10 LEU QD 1 61 GLY HA3 . . 4.260 3.892 3.327 4.295 0.035 13 0 "[ . 1 . 2]" 1
218 1 10 LEU HG 1 11 HIS H . . 4.430 3.700 3.157 4.128 . 0 0 "[ . 1 . 2]" 1
219 1 10 LEU HG 1 12 LYS HA . . 4.450 3.296 2.807 4.142 . 0 0 "[ . 1 . 2]" 1
220 1 11 HIS H 1 11 HIS QB . . 3.640 3.162 2.387 3.353 . 0 0 "[ . 1 . 2]" 1
221 1 11 HIS H 1 11 HIS HD2 . . 3.680 3.282 2.789 3.722 0.042 19 0 "[ . 1 . 2]" 1
222 1 11 HIS H 1 16 THR H . . 4.280 4.562 3.583 4.814 0.534 14 4 "[ - . * 1* +. 2]" 1
223 1 11 HIS H 1 16 THR HB . . 5.050 5.207 3.943 5.572 0.522 11 3 "[ . 1+ . -*]" 1
224 1 11 HIS H 1 16 THR MG . . 5.500 5.900 4.759 6.276 0.776 9 4 "[ . +1 .- **]" 1
225 1 11 HIS H 1 17 LEU HA . . 3.690 4.798 3.241 5.235 1.545 17 18 "[******-*** *****+ **]" 1
226 1 11 HIS H 1 18 THR H . . 5.060 4.807 3.956 5.063 0.003 17 0 "[ . 1 . 2]" 1
227 1 11 HIS HA 1 11 HIS HD2 . . 4.330 4.099 3.774 4.370 0.040 18 0 "[ . 1 . 2]" 1
228 1 11 HIS HA 1 12 LYS H . . 3.190 2.401 2.217 2.584 . 0 0 "[ . 1 . 2]" 1
229 1 11 HIS HA 1 14 SER H . . 5.500 4.526 3.826 5.391 . 0 0 "[ . 1 . 2]" 1
230 1 11 HIS QB 1 11 HIS HD2 . . 3.600 2.693 2.582 2.812 . 0 0 "[ . 1 . 2]" 1
231 1 11 HIS QB 1 12 LYS H . . 4.790 3.926 3.750 4.037 . 0 0 "[ . 1 . 2]" 1
232 1 11 HIS QB 1 14 SER H . . 5.060 2.828 1.936 3.547 . 0 0 "[ . 1 . 2]" 1
233 1 11 HIS QB 1 14 SER QB . . 4.880 3.188 2.147 4.165 . 0 0 "[ . 1 . 2]" 1
234 1 11 HIS QB 1 16 THR H . . 3.930 2.093 1.805 2.604 . 0 0 "[ . 1 . 2]" 1
235 1 11 HIS QB 1 16 THR HA . . 4.310 4.199 4.023 4.269 . 0 0 "[ . 1 . 2]" 1
236 1 11 HIS QB 1 16 THR HB . . 3.970 2.239 2.060 2.557 . 0 0 "[ . 1 . 2]" 1
237 1 11 HIS HD2 1 16 THR H . . 5.000 4.288 4.031 4.821 . 0 0 "[ . 1 . 2]" 1
238 1 11 HIS HD2 1 16 THR HB . . 3.800 3.122 2.557 3.578 . 0 0 "[ . 1 . 2]" 1
239 1 11 HIS HD2 1 16 THR MG . . 4.080 3.558 3.404 3.593 . 0 0 "[ . 1 . 2]" 1
240 1 11 HIS HD2 1 18 THR H . . 4.180 3.335 2.916 4.153 . 0 0 "[ . 1 . 2]" 1
241 1 11 HIS HD2 1 18 THR HA . . 5.140 4.787 4.549 5.021 . 0 0 "[ . 1 . 2]" 1
242 1 11 HIS HD2 1 18 THR HB . . 4.120 3.209 2.477 4.169 0.049 19 0 "[ . 1 . 2]" 1
243 1 12 LYS H 1 12 LYS HB2 . . 3.460 2.167 1.992 2.376 . 0 0 "[ . 1 . 2]" 1
244 1 12 LYS H 1 12 LYS HB3 . . 3.820 3.343 2.816 3.620 . 0 0 "[ . 1 . 2]" 1
245 1 12 LYS H 1 12 LYS QD . . 4.760 4.486 4.091 4.843 0.083 7 0 "[ . 1 . 2]" 1
246 1 12 LYS H 1 12 LYS HG2 . . 4.150 3.511 2.802 4.581 0.431 19 0 "[ . 1 . 2]" 1
247 1 12 LYS H 1 12 LYS HG3 . . 4.670 3.841 3.070 4.208 . 0 0 "[ . 1 . 2]" 1
248 1 12 LYS HA 1 12 LYS QD . . 4.490 2.996 2.133 3.933 . 0 0 "[ . 1 . 2]" 1
249 1 12 LYS HA 1 12 LYS QE . . 5.330 3.994 1.834 4.879 . 0 0 "[ . 1 . 2]" 1
250 1 12 LYS HA 1 12 LYS HG2 . . 3.860 2.440 2.112 3.081 . 0 0 "[ . 1 . 2]" 1
251 1 12 LYS HA 1 12 LYS HG3 . . 3.490 3.376 2.173 3.766 0.276 3 0 "[ . 1 . 2]" 1
252 1 12 LYS HA 1 15 LYS H . . 4.120 3.593 3.087 3.948 . 0 0 "[ . 1 . 2]" 1
253 1 12 LYS HA 1 15 LYS HA . . 4.050 3.618 2.984 4.118 0.068 13 0 "[ . 1 . 2]" 1
254 1 12 LYS HB3 1 13 ALA HA . . 4.760 4.432 3.772 4.816 0.056 19 0 "[ . 1 . 2]" 1
255 1 12 LYS QD 1 60 VAL HA . . 4.460 4.026 2.255 4.543 0.083 19 0 "[ . 1 . 2]" 1
256 1 13 ALA H 1 14 SER H . . 5.500 3.005 2.234 3.377 . 0 0 "[ . 1 . 2]" 1
257 1 13 ALA MB 1 14 SER H . . 3.850 2.344 1.966 3.186 . 0 0 "[ . 1 . 2]" 1
258 1 13 ALA MB 1 14 SER HA . . 4.910 3.993 3.684 4.439 . 0 0 "[ . 1 . 2]" 1
259 1 14 SER H 1 15 LYS H . . 3.290 2.424 1.902 2.980 . 0 0 "[ . 1 . 2]" 1
260 1 14 SER H 1 16 THR H . . 5.050 4.205 3.492 5.012 . 0 0 "[ . 1 . 2]" 1
261 1 14 SER QB 1 15 LYS H . . 5.120 3.498 3.075 3.876 . 0 0 "[ . 1 . 2]" 1
262 1 14 SER QB 1 16 THR H . . 5.280 4.047 3.467 4.543 . 0 0 "[ . 1 . 2]" 1
263 1 14 SER QB 1 16 THR MG . . 5.060 4.316 3.716 4.770 . 0 0 "[ . 1 . 2]" 1
264 1 15 LYS H 1 15 LYS HA . . 2.820 2.204 2.150 2.269 . 0 0 "[ . 1 . 2]" 1
265 1 15 LYS H 1 15 LYS QD . . 5.500 3.773 2.665 4.784 . 0 0 "[ . 1 . 2]" 1
266 1 15 LYS H 1 15 LYS HG2 . . 4.090 3.648 2.560 4.113 0.023 2 0 "[ . 1 . 2]" 1
267 1 15 LYS H 1 15 LYS HG3 . . 3.780 2.890 2.392 3.807 0.027 18 0 "[ . 1 . 2]" 1
268 1 15 LYS HA 1 15 LYS HG2 . . 3.640 3.226 2.699 3.614 . 0 0 "[ . 1 . 2]" 1
269 1 15 LYS HA 1 15 LYS HG3 . . 4.060 2.995 2.426 3.856 . 0 0 "[ . 1 . 2]" 1
270 1 15 LYS HA 1 16 THR H . . 3.480 2.492 2.273 2.845 . 0 0 "[ . 1 . 2]" 1
271 1 15 LYS HA 1 16 THR HA . . 4.500 4.458 4.282 4.565 0.065 4 0 "[ . 1 . 2]" 1
272 1 15 LYS QB 1 15 LYS QD . . 3.500 2.169 2.017 2.700 . 0 0 "[ . 1 . 2]" 1
273 1 15 LYS QB 1 15 LYS HE3 . . 3.910 3.688 2.406 4.217 0.307 14 0 "[ . 1 . 2]" 1
274 1 15 LYS QB 1 30 ALA H . . 5.040 3.465 2.744 4.041 . 0 0 "[ . 1 . 2]" 1
275 1 15 LYS QB 1 30 ALA MB . . 3.580 2.291 1.976 2.774 . 0 0 "[ . 1 . 2]" 1
276 1 15 LYS QB 1 59 LEU H . . 5.500 2.449 1.595 4.180 . 0 0 "[ . 1 . 2]" 1
277 1 15 LYS QD 1 58 GLY HA2 . . 4.610 2.904 2.188 4.029 . 0 0 "[ . 1 . 2]" 1
278 1 15 LYS QD 1 58 GLY HA3 . . 4.180 2.776 2.034 3.633 . 0 0 "[ . 1 . 2]" 1
279 1 15 LYS QD 1 59 LEU H . . 5.260 3.581 1.693 5.154 . 0 0 "[ . 1 . 2]" 1
280 1 15 LYS HE3 1 15 LYS HG2 . . 3.290 3.028 2.161 4.102 0.812 18 5 "[ - * 1 ** . + 2]" 1
281 1 15 LYS HE3 1 15 LYS HG3 . . 4.000 3.317 2.501 4.118 0.118 20 0 "[ . 1 . 2]" 1
282 1 15 LYS HE3 1 58 GLY H . . 5.500 4.939 3.889 6.387 0.887 1 3 "[+ . * 1 . -2]" 1
283 1 15 LYS HE3 1 58 GLY HA2 . . 4.130 3.661 1.807 4.998 0.868 1 4 "[+ . 1 *. * -2]" 1
284 1 15 LYS HE3 1 58 GLY HA3 . . 4.090 2.724 1.893 3.841 . 0 0 "[ . 1 . 2]" 1
285 1 15 LYS HG2 1 58 GLY HA2 . . 4.950 3.621 2.204 5.394 0.444 5 0 "[ . 1 . 2]" 1
286 1 15 LYS HG2 1 58 GLY HA3 . . 4.790 3.327 2.029 4.969 0.179 12 0 "[ . 1 . 2]" 1
287 1 15 LYS HG3 1 58 GLY HA3 . . 4.920 4.320 3.721 4.981 0.061 6 0 "[ . 1 . 2]" 1
288 1 16 THR H 1 16 THR HB . . 3.640 2.674 2.408 2.927 . 0 0 "[ . 1 . 2]" 1
289 1 16 THR H 1 17 LEU H . . 5.030 4.245 3.930 4.462 . 0 0 "[ . 1 . 2]" 1
290 1 16 THR HA 1 16 THR MG . . 2.910 2.382 2.167 2.481 . 0 0 "[ . 1 . 2]" 1
291 1 16 THR HA 1 17 LEU H . . 3.010 2.198 2.106 2.261 . 0 0 "[ . 1 . 2]" 1
292 1 16 THR HA 1 30 ALA HA . . 4.850 4.851 4.431 4.928 0.078 7 0 "[ . 1 . 2]" 1
293 1 16 THR HA 1 30 ALA MB . . 4.600 4.275 3.862 4.576 . 0 0 "[ . 1 . 2]" 1
294 1 16 THR HB 1 17 LEU H . . 4.480 4.263 4.041 4.432 . 0 0 "[ . 1 . 2]" 1
295 1 16 THR HB 1 27 ASP QB . . 4.890 4.193 3.449 4.568 . 0 0 "[ . 1 . 2]" 1
296 1 16 THR MG 1 17 LEU H . . 3.320 2.993 2.610 3.360 0.040 20 0 "[ . 1 . 2]" 1
297 1 16 THR MG 1 27 ASP HA . . 3.970 2.921 2.626 3.253 . 0 0 "[ . 1 . 2]" 1
298 1 16 THR MG 1 27 ASP QB . . 3.790 2.140 2.022 2.377 . 0 0 "[ . 1 . 2]" 1
299 1 16 THR MG 1 28 LEU H . . 3.640 3.246 2.988 3.638 . 0 0 "[ . 1 . 2]" 1
300 1 16 THR MG 1 29 PRO HA . . 3.680 3.008 2.520 3.402 . 0 0 "[ . 1 . 2]" 1
301 1 16 THR MG 1 29 PRO HB3 . . 5.120 4.233 3.651 4.749 . 0 0 "[ . 1 . 2]" 1
302 1 17 LEU H 1 17 LEU QB . . 3.310 2.277 2.113 2.430 . 0 0 "[ . 1 . 2]" 1
303 1 17 LEU H 1 17 LEU QD . . 4.460 3.827 3.630 3.949 . 0 0 "[ . 1 . 2]" 1
304 1 17 LEU H 1 17 LEU HG . . 5.290 4.445 4.253 4.745 . 0 0 "[ . 1 . 2]" 1
305 1 17 LEU H 1 18 THR H . . 5.500 4.381 4.193 4.615 . 0 0 "[ . 1 . 2]" 1
306 1 17 LEU H 1 28 LEU H . . 3.960 3.752 3.310 3.970 0.010 10 0 "[ . 1 . 2]" 1
307 1 17 LEU H 1 28 LEU HB2 . . 4.520 3.670 3.406 4.139 . 0 0 "[ . 1 . 2]" 1
308 1 17 LEU H 1 30 ALA H . . 5.310 4.451 4.202 4.961 . 0 0 "[ . 1 . 2]" 1
309 1 17 LEU H 1 30 ALA MB . . 4.830 4.787 4.453 4.917 0.087 2 0 "[ . 1 . 2]" 1
310 1 17 LEU HA 1 17 LEU QD . . 3.070 2.266 2.103 2.894 . 0 0 "[ . 1 . 2]" 1
311 1 17 LEU HA 1 17 LEU HG . . 3.710 3.157 2.421 3.563 . 0 0 "[ . 1 . 2]" 1
312 1 17 LEU HA 1 18 THR H . . 3.050 2.203 2.138 2.303 . 0 0 "[ . 1 . 2]" 1
313 1 17 LEU QB 1 17 LEU QD . . 2.780 1.986 1.904 2.060 . 0 0 "[ . 1 . 2]" 1
314 1 17 LEU QB 1 18 THR H . . 4.170 3.911 3.792 3.985 . 0 0 "[ . 1 . 2]" 1
315 1 17 LEU QB 1 28 LEU H . . 4.730 3.685 3.098 4.248 . 0 0 "[ . 1 . 2]" 1
316 1 17 LEU QB 1 28 LEU HB2 . . 4.090 2.752 2.288 3.205 . 0 0 "[ . 1 . 2]" 1
317 1 17 LEU QB 1 33 LEU QD . . 3.450 2.160 1.926 2.472 . 0 0 "[ . 1 . 2]" 1
318 1 17 LEU QB 1 59 LEU QD . . 4.340 3.567 2.939 4.143 . 0 0 "[ . 1 . 2]" 1
319 1 17 LEU QB 1 72 LEU QD . . 4.750 3.565 2.910 4.071 . 0 0 "[ . 1 . 2]" 1
320 1 17 LEU QD 1 18 THR H . . 3.460 2.571 2.054 3.464 0.004 13 0 "[ . 1 . 2]" 1
321 1 17 LEU QD 1 19 LEU QD . . 4.030 2.115 1.868 2.665 . 0 0 "[ . 1 . 2]" 1
322 1 17 LEU QD 1 19 LEU HG . . 4.180 2.718 1.802 3.604 . 0 0 "[ . 1 . 2]" 1
323 1 17 LEU QD 1 28 LEU HB2 . . 4.700 3.485 2.250 4.477 . 0 0 "[ . 1 . 2]" 1
324 1 17 LEU QD 1 72 LEU QD . . 3.320 2.387 1.841 2.983 . 0 0 "[ . 1 . 2]" 1
325 1 17 LEU HG 1 18 THR H . . 4.300 3.683 3.071 4.367 0.067 8 0 "[ . 1 . 2]" 1
326 1 17 LEU HG 1 18 THR HA . . 5.310 4.492 3.365 5.409 0.099 15 0 "[ . 1 . 2]" 1
327 1 17 LEU HG 1 19 LEU QD . . 3.880 2.756 1.858 3.769 . 0 0 "[ . 1 . 2]" 1
328 1 17 LEU HG 1 19 LEU HG . . 3.960 3.149 2.197 3.823 . 0 0 "[ . 1 . 2]" 1
329 1 18 THR H 1 18 THR HB . . 3.280 2.554 2.252 2.967 . 0 0 "[ . 1 . 2]" 1
330 1 18 THR H 1 18 THR MG . . 4.050 3.845 3.684 4.040 . 0 0 "[ . 1 . 2]" 1
331 1 18 THR HA 1 18 THR MG . . 3.240 2.483 2.371 2.584 . 0 0 "[ . 1 . 2]" 1
332 1 18 THR HA 1 19 LEU H . . 2.910 2.138 1.977 2.342 . 0 0 "[ . 1 . 2]" 1
333 1 18 THR HA 1 19 LEU HB2 . . 4.870 4.229 3.878 4.621 . 0 0 "[ . 1 . 2]" 1
334 1 18 THR HA 1 19 LEU HG . . 4.700 4.313 3.656 4.796 0.096 9 0 "[ . 1 . 2]" 1
335 1 18 THR HA 1 26 TYR H . . 5.500 4.681 4.359 5.110 . 0 0 "[ . 1 . 2]" 1
336 1 18 THR HA 1 27 ASP H . . 5.490 4.750 4.583 4.909 . 0 0 "[ . 1 . 2]" 1
337 1 18 THR HA 1 27 ASP HA . . 3.320 2.261 2.046 2.532 . 0 0 "[ . 1 . 2]" 1
338 1 18 THR HA 1 27 ASP QB . . 4.950 3.925 2.935 4.589 . 0 0 "[ . 1 . 2]" 1
339 1 18 THR HA 1 28 LEU H . . 3.690 3.188 2.845 3.475 . 0 0 "[ . 1 . 2]" 1
340 1 18 THR HB 1 19 LEU H . . 4.620 4.066 3.723 4.523 . 0 0 "[ . 1 . 2]" 1
341 1 18 THR MG 1 19 LEU H . . 3.230 2.578 2.246 3.312 0.082 2 0 "[ . 1 . 2]" 1
342 1 18 THR MG 1 19 LEU HA . . 4.960 3.805 3.369 4.231 . 0 0 "[ . 1 . 2]" 1
343 1 18 THR MG 1 20 ARG H . . 4.900 4.582 3.540 4.987 0.087 20 0 "[ . 1 . 2]" 1
344 1 18 THR MG 1 25 SER HA . . 5.320 4.096 3.492 4.587 . 0 0 "[ . 1 . 2]" 1
345 1 18 THR MG 1 25 SER HB2 . . 3.940 3.690 2.914 4.109 0.169 2 0 "[ . 1 . 2]" 1
346 1 18 THR MG 1 25 SER HB3 . . 4.030 3.682 2.827 4.017 . 0 0 "[ . 1 . 2]" 1
347 1 18 THR MG 1 26 TYR H . . 4.510 3.634 3.153 4.552 0.042 2 0 "[ . 1 . 2]" 1
348 1 18 THR MG 1 26 TYR QD . . 5.190 5.705 5.270 6.480 1.290 2 9 "[*+* *** 1 -*. * 2]" 1
349 1 18 THR MG 1 27 ASP HA . . 4.210 3.058 2.426 3.726 . 0 0 "[ . 1 . 2]" 1
350 1 19 LEU H 1 19 LEU HB2 . . 3.900 2.637 2.435 2.984 . 0 0 "[ . 1 . 2]" 1
351 1 19 LEU H 1 19 LEU HB3 . . 4.190 3.736 3.526 3.928 . 0 0 "[ . 1 . 2]" 1
352 1 19 LEU H 1 19 LEU QD . . 4.140 3.417 2.470 3.866 . 0 0 "[ . 1 . 2]" 1
353 1 19 LEU H 1 19 LEU HG . . 4.230 3.654 3.064 4.147 . 0 0 "[ . 1 . 2]" 1
354 1 19 LEU H 1 20 ARG H . . 5.030 4.176 4.005 4.400 . 0 0 "[ . 1 . 2]" 1
355 1 19 LEU H 1 26 TYR HB3 . . 5.360 5.042 4.453 5.456 0.096 7 0 "[ . 1 . 2]" 1
356 1 19 LEU H 1 26 TYR QD . . 5.500 5.173 4.744 5.527 0.027 16 0 "[ . 1 . 2]" 1
357 1 19 LEU H 1 27 ASP HA . . 4.040 3.661 3.333 3.992 . 0 0 "[ . 1 . 2]" 1
358 1 19 LEU H 1 89 TYR QE . . 5.280 5.143 4.933 5.344 0.064 9 0 "[ . 1 . 2]" 1
359 1 19 LEU HA 1 19 LEU QD . . 3.100 2.316 2.021 3.002 . 0 0 "[ . 1 . 2]" 1
360 1 19 LEU HA 1 20 ARG H . . 2.950 2.227 2.042 2.479 . 0 0 "[ . 1 . 2]" 1
361 1 19 LEU HA 1 20 ARG HB3 . . 5.230 4.616 4.342 4.946 . 0 0 "[ . 1 . 2]" 1
362 1 19 LEU HB2 1 20 ARG H . . 4.880 3.883 2.720 4.518 . 0 0 "[ . 1 . 2]" 1
363 1 19 LEU HB2 1 26 TYR H . . 4.910 4.088 3.693 4.622 . 0 0 "[ . 1 . 2]" 1
364 1 19 LEU HB2 1 26 TYR QD . . 4.610 4.225 3.566 4.474 . 0 0 "[ . 1 . 2]" 1
365 1 19 LEU HB2 1 89 TYR QE . . 3.660 3.478 2.502 3.691 0.031 14 0 "[ . 1 . 2]" 1
366 1 19 LEU HB2 1 92 ALA MB . . 4.410 2.637 2.338 3.086 . 0 0 "[ . 1 . 2]" 1
367 1 19 LEU HB3 1 19 LEU QD . . 3.040 2.156 2.082 2.282 . 0 0 "[ . 1 . 2]" 1
368 1 19 LEU HB3 1 20 ARG H . . 3.650 2.819 1.655 3.659 0.009 15 0 "[ . 1 . 2]" 1
369 1 19 LEU HB3 1 21 TYR H . . 4.020 4.185 3.574 4.618 0.598 11 3 "[- .* 1+ . 2]" 1
370 1 19 LEU HB3 1 89 TYR QE . . 3.560 2.173 2.036 2.339 . 0 0 "[ . 1 . 2]" 1
371 1 19 LEU QD 1 20 ARG H . . 3.980 3.395 3.119 3.596 . 0 0 "[ . 1 . 2]" 1
372 1 19 LEU QD 1 88 LEU HA . . 4.920 4.010 3.458 4.761 . 0 0 "[ . 1 . 2]" 1
373 1 19 LEU QD 1 88 LEU HB2 . . 4.510 3.826 3.335 4.386 . 0 0 "[ . 1 . 2]" 1
374 1 19 LEU QD 1 88 LEU HB3 . . 4.430 2.643 2.256 3.249 . 0 0 "[ . 1 . 2]" 1
375 1 19 LEU QD 1 88 LEU QD . . 3.620 2.771 2.387 3.507 . 0 0 "[ . 1 . 2]" 1
376 1 19 LEU QD 1 89 TYR QD . . 4.100 3.124 2.696 3.623 . 0 0 "[ . 1 . 2]" 1
377 1 19 LEU QD 1 89 TYR QE . . 4.170 3.085 2.613 3.303 . 0 0 "[ . 1 . 2]" 1
378 1 19 LEU QD 1 92 ALA HA . . 4.950 3.671 3.259 4.026 . 0 0 "[ . 1 . 2]" 1
379 1 19 LEU QD 1 93 THR H . . 5.500 5.386 5.214 5.493 . 0 0 "[ . 1 . 2]" 1
380 1 20 ARG H 1 20 ARG HB2 . . 3.440 2.966 2.487 3.450 0.010 16 0 "[ . 1 . 2]" 1
381 1 20 ARG H 1 20 ARG HB3 . . 3.660 2.725 2.308 3.341 . 0 0 "[ . 1 . 2]" 1
382 1 20 ARG H 1 20 ARG HG2 . . 5.320 4.581 4.143 4.925 . 0 0 "[ . 1 . 2]" 1
383 1 20 ARG H 1 20 ARG HG3 . . 4.930 4.673 4.421 5.069 0.139 18 0 "[ . 1 . 2]" 1
384 1 20 ARG H 1 21 TYR H . . 4.370 3.932 3.557 4.174 . 0 0 "[ . 1 . 2]" 1
385 1 20 ARG HA 1 20 ARG QD . . 4.970 4.008 3.815 4.238 . 0 0 "[ . 1 . 2]" 1
386 1 20 ARG HA 1 20 ARG HG3 . . 3.910 2.488 2.263 2.813 . 0 0 "[ . 1 . 2]" 1
387 1 20 ARG HA 1 21 TYR H . . 2.970 2.328 2.189 2.452 . 0 0 "[ . 1 . 2]" 1
388 1 20 ARG HA 1 24 ASP H . . 5.500 4.792 4.311 5.099 . 0 0 "[ . 1 . 2]" 1
389 1 20 ARG HB2 1 20 ARG QD . . 3.810 2.456 2.196 2.721 . 0 0 "[ . 1 . 2]" 1
390 1 20 ARG HB2 1 20 ARG HE . . 5.340 3.566 2.343 4.313 . 0 0 "[ . 1 . 2]" 1
391 1 20 ARG HB2 1 21 TYR H . . 4.660 4.633 4.448 4.705 0.045 5 0 "[ . 1 . 2]" 1
392 1 20 ARG HB3 1 21 TYR H . . 4.370 4.555 4.477 4.629 0.259 17 0 "[ . 1 . 2]" 1
393 1 20 ARG QD 1 23 GLU HA . . 4.660 3.678 2.099 4.578 . 0 0 "[ . 1 . 2]" 1
394 1 20 ARG HE 1 22 GLY H . . 5.500 4.846 3.417 5.594 0.094 12 0 "[ . 1 . 2]" 1
395 1 20 ARG HG2 1 21 TYR H . . 5.230 4.083 3.571 4.648 . 0 0 "[ . 1 . 2]" 1
396 1 20 ARG HG2 1 22 GLY H . . 5.500 3.835 2.902 4.536 . 0 0 "[ . 1 . 2]" 1
397 1 20 ARG HG3 1 21 TYR H . . 4.440 4.201 3.747 4.636 0.196 18 0 "[ . 1 . 2]" 1
398 1 20 ARG HG3 1 23 GLU HA . . 5.310 4.285 3.399 5.295 . 0 0 "[ . 1 . 2]" 1
399 1 20 ARG HG3 1 24 ASP H . . 5.500 4.327 3.258 5.050 . 0 0 "[ . 1 . 2]" 1
400 1 21 TYR H 1 21 TYR HB2 . . 4.190 2.485 2.297 2.594 . 0 0 "[ . 1 . 2]" 1
401 1 21 TYR H 1 21 TYR HB3 . . 3.830 2.579 2.304 2.859 . 0 0 "[ . 1 . 2]" 1
402 1 21 TYR H 1 22 GLY H . . 4.710 4.042 2.617 4.356 . 0 0 "[ . 1 . 2]" 1
403 1 21 TYR H 1 24 ASP H . . 4.920 4.198 3.715 4.394 . 0 0 "[ . 1 . 2]" 1
404 1 21 TYR H 1 26 TYR QE . . 4.470 4.011 3.320 4.489 0.019 19 0 "[ . 1 . 2]" 1
405 1 21 TYR H 1 89 TYR QD . . 3.870 3.911 3.896 3.924 0.054 15 0 "[ . 1 . 2]" 1
406 1 21 TYR HA 1 21 TYR QD . . 3.450 2.997 2.660 3.197 . 0 0 "[ . 1 . 2]" 1
407 1 21 TYR HA 1 22 GLY H . . 3.010 2.332 2.172 3.045 0.035 6 0 "[ . 1 . 2]" 1
408 1 21 TYR HA 1 22 GLY HA2 . . 4.430 4.429 4.320 4.503 0.073 6 0 "[ . 1 . 2]" 1
409 1 21 TYR HA 1 22 GLY HA3 . . 4.390 4.383 4.222 4.472 0.082 6 0 "[ . 1 . 2]" 1
410 1 21 TYR HA 1 89 TYR QD . . 3.390 3.050 2.570 3.445 0.055 13 0 "[ . 1 . 2]" 1
411 1 21 TYR HA 1 89 TYR QE . . 2.900 2.742 2.508 2.918 0.018 5 0 "[ . 1 . 2]" 1
412 1 21 TYR HB2 1 22 GLY H . . 4.530 4.597 4.318 4.693 0.163 5 0 "[ . 1 . 2]" 1
413 1 21 TYR HB3 1 26 TYR QE . . 3.680 2.277 2.047 2.601 . 0 0 "[ . 1 . 2]" 1
414 1 21 TYR HB3 1 89 TYR QD . . 3.860 4.127 3.912 4.384 0.524 5 2 "[ + - 1 . 2]" 1
415 1 21 TYR QD 1 26 TYR QE . . 3.930 3.369 2.744 3.977 0.047 18 0 "[ . 1 . 2]" 1
416 1 21 TYR QD 1 89 TYR HA . . 3.070 3.140 3.117 3.161 0.091 14 0 "[ . 1 . 2]" 1
417 1 21 TYR QD 1 89 TYR QB . . 3.060 2.264 2.030 2.784 . 0 0 "[ . 1 . 2]" 1
418 1 21 TYR QD 1 89 TYR QD . . 4.470 2.265 2.088 2.745 . 0 0 "[ . 1 . 2]" 1
419 1 21 TYR QD 1 90 GLU H . . 4.470 4.883 4.496 5.161 0.691 19 7 "[ **. * - * . * +2]" 1
420 1 21 TYR QD 1 90 GLU HA . . 4.700 4.573 4.252 4.773 0.073 15 0 "[ . 1 . 2]" 1
421 1 21 TYR QD 1 92 ALA H . . 5.380 4.826 4.324 5.268 . 0 0 "[ . 1 . 2]" 1
422 1 21 TYR QD 1 92 ALA MB . . 3.950 2.932 2.330 3.461 . 0 0 "[ . 1 . 2]" 1
423 1 21 TYR QD 1 93 THR H . . 5.500 3.988 2.976 4.710 . 0 0 "[ . 1 . 2]" 1
424 1 21 TYR QD 1 93 THR MG . . 3.830 3.168 2.422 3.719 . 0 0 "[ . 1 . 2]" 1
425 1 21 TYR QE 1 89 TYR H . . 5.500 5.311 4.931 5.591 0.091 19 0 "[ . 1 . 2]" 1
426 1 21 TYR QE 1 89 TYR QB . . 3.700 2.386 2.212 2.541 . 0 0 "[ . 1 . 2]" 1
427 1 21 TYR QE 1 89 TYR QD . . 4.440 4.207 3.900 4.274 . 0 0 "[ . 1 . 2]" 1
428 1 21 TYR QE 1 90 GLU H . . 5.500 4.227 3.608 4.773 . 0 0 "[ . 1 . 2]" 1
429 1 21 TYR QE 1 90 GLU HA . . 5.260 3.365 2.684 3.905 . 0 0 "[ . 1 . 2]" 1
430 1 21 TYR QE 1 93 THR MG . . 3.210 2.919 2.197 3.452 0.242 7 0 "[ . 1 . 2]" 1
431 1 22 GLY H 1 23 GLU H . . 5.120 4.166 3.757 4.488 . 0 0 "[ . 1 . 2]" 1
432 1 22 GLY H 1 24 ASP H . . 5.500 4.443 3.753 4.736 . 0 0 "[ . 1 . 2]" 1
433 1 22 GLY H 1 89 TYR QD . . 5.160 5.001 4.748 5.191 0.031 6 0 "[ . 1 . 2]" 1
434 1 22 GLY HA2 1 23 GLU H . . 3.390 3.418 3.318 3.449 0.059 5 0 "[ . 1 . 2]" 1
435 1 22 GLY HA2 1 24 ASP H . . 4.700 4.724 4.495 4.776 0.076 10 0 "[ . 1 . 2]" 1
436 1 22 GLY HA3 1 23 GLU H . . 2.960 2.214 2.171 2.278 . 0 0 "[ . 1 . 2]" 1
437 1 22 GLY HA3 1 23 GLU HA . . 4.500 4.465 4.343 4.539 0.039 16 0 "[ . 1 . 2]" 1
438 1 22 GLY HA3 1 23 GLU HB3 . . 4.810 4.858 3.948 5.742 0.932 17 9 "[****. *1 *-. + *2]" 1
439 1 22 GLY HA3 1 24 ASP H . . 4.310 3.666 3.425 3.840 . 0 0 "[ . 1 . 2]" 1
440 1 23 GLU H 1 23 GLU HB2 . . 3.770 3.202 2.184 3.837 0.067 16 0 "[ . 1 . 2]" 1
441 1 23 GLU H 1 23 GLU HB3 . . 3.310 3.185 2.595 3.833 0.523 3 1 "[ + . 1 . 2]" 1
442 1 23 GLU H 1 23 GLU HG2 . . 3.770 2.845 1.917 3.830 0.060 3 0 "[ . 1 . 2]" 1
443 1 23 GLU H 1 23 GLU HG3 . . 3.790 3.168 2.322 3.574 . 0 0 "[ . 1 . 2]" 1
444 1 23 GLU H 1 24 ASP H . . 2.920 2.082 1.652 2.492 . 0 0 "[ . 1 . 2]" 1
445 1 23 GLU H 1 24 ASP HB2 . . 4.410 3.985 3.509 4.403 . 0 0 "[ . 1 . 2]" 1
446 1 23 GLU H 1 24 ASP HB3 . . 4.960 5.380 4.817 5.576 0.616 1 9 "[+ *.-* ** * *. * 2]" 1
447 1 23 GLU HA 1 23 GLU HB2 . . 2.740 2.607 2.160 3.069 0.329 14 0 "[ . 1 . 2]" 1
448 1 23 GLU HB2 1 24 ASP H . . 4.560 3.969 2.984 4.569 0.009 18 0 "[ . 1 . 2]" 1
449 1 23 GLU HB3 1 23 GLU HG2 . . 2.920 2.586 2.239 3.072 0.152 9 0 "[ . 1 . 2]" 1
450 1 23 GLU HB3 1 23 GLU HG3 . . 2.910 2.829 2.498 3.051 0.141 3 0 "[ . 1 . 2]" 1
451 1 23 GLU HB3 1 24 ASP H . . 4.120 4.208 3.949 4.512 0.392 9 0 "[ . 1 . 2]" 1
452 1 23 GLU HG3 1 24 ASP H . . 5.500 3.963 2.365 5.494 . 0 0 "[ . 1 . 2]" 1
453 1 24 ASP H 1 24 ASP HB2 . . 3.190 2.383 2.147 2.611 . 0 0 "[ . 1 . 2]" 1
454 1 24 ASP H 1 24 ASP HB3 . . 3.690 3.540 3.192 3.674 . 0 0 "[ . 1 . 2]" 1
455 1 24 ASP H 1 25 SER H . . 4.980 4.590 4.341 4.767 . 0 0 "[ . 1 . 2]" 1
456 1 24 ASP H 1 26 TYR QE . . 5.170 5.018 4.517 5.231 0.061 7 0 "[ . 1 . 2]" 1
457 1 24 ASP HA 1 25 SER H . . 2.900 2.369 2.122 2.645 . 0 0 "[ . 1 . 2]" 1
458 1 24 ASP HB2 1 25 SER H . . 4.270 4.079 3.554 4.299 0.029 6 0 "[ . 1 . 2]" 1
459 1 24 ASP HB2 1 26 TYR QE . . 3.520 3.178 2.394 3.594 0.074 16 0 "[ . 1 . 2]" 1
460 1 24 ASP HB3 1 25 SER H . . 3.790 2.964 2.292 3.478 . 0 0 "[ . 1 . 2]" 1
461 1 24 ASP HB3 1 26 TYR QE . . 3.540 2.684 2.161 3.332 . 0 0 "[ . 1 . 2]" 1
462 1 25 SER H 1 25 SER HB2 . . 3.510 3.266 2.441 3.576 0.066 13 0 "[ . 1 . 2]" 1
463 1 25 SER H 1 25 SER HB3 . . 3.480 3.497 2.609 3.588 0.108 10 0 "[ . 1 . 2]" 1
464 1 25 SER H 1 26 TYR H . . 4.820 4.278 4.022 4.562 . 0 0 "[ . 1 . 2]" 1
465 1 25 SER H 1 26 TYR QE . . 5.100 4.528 4.029 5.163 0.063 18 0 "[ . 1 . 2]" 1
466 1 25 SER HA 1 26 TYR H . . 2.940 2.122 1.905 2.299 . 0 0 "[ . 1 . 2]" 1
467 1 25 SER HA 1 26 TYR QD . . 3.950 4.208 3.231 4.398 0.448 8 0 "[ . 1 . 2]" 1
468 1 25 SER HA 1 26 TYR QE . . 5.290 5.224 4.694 5.353 0.063 10 0 "[ . 1 . 2]" 1
469 1 25 SER HB2 1 26 TYR H . . 3.920 3.714 3.085 3.997 0.077 11 0 "[ . 1 . 2]" 1
470 1 25 SER HB3 1 26 TYR H . . 3.840 3.749 2.977 3.987 0.147 14 0 "[ . 1 . 2]" 1
471 1 26 TYR H 1 26 TYR HB3 . . 3.690 3.733 3.589 3.885 0.195 14 0 "[ . 1 . 2]" 1
472 1 26 TYR H 1 26 TYR QD . . 3.270 3.314 3.116 3.363 0.093 9 0 "[ . 1 . 2]" 1
473 1 26 TYR H 1 26 TYR QE . . 5.490 4.935 4.675 5.228 . 0 0 "[ . 1 . 2]" 1
474 1 26 TYR H 1 27 ASP H . . 5.220 4.411 4.185 4.543 . 0 0 "[ . 1 . 2]" 1
475 1 26 TYR H 1 92 ALA MB . . 5.440 4.320 3.801 4.784 . 0 0 "[ . 1 . 2]" 1
476 1 26 TYR HA 1 26 TYR QD . . 3.380 2.400 2.192 3.014 . 0 0 "[ . 1 . 2]" 1
477 1 26 TYR HA 1 27 ASP H . . 2.860 2.233 2.099 2.380 . 0 0 "[ . 1 . 2]" 1
478 1 26 TYR HA 1 28 LEU QD . . 4.580 3.989 3.444 4.521 . 0 0 "[ . 1 . 2]" 1
479 1 26 TYR HB2 1 27 ASP H . . 3.860 3.949 3.797 4.262 0.402 10 0 "[ . 1 . 2]" 1
480 1 26 TYR HB2 1 28 LEU QD . . 4.480 2.645 2.237 2.974 . 0 0 "[ . 1 . 2]" 1
481 1 26 TYR HB2 1 92 ALA HA . . 4.640 3.699 3.025 4.445 . 0 0 "[ . 1 . 2]" 1
482 1 26 TYR HB2 1 92 ALA MB . . 3.680 2.552 2.249 3.015 . 0 0 "[ . 1 . 2]" 1
483 1 26 TYR HB3 1 27 ASP H . . 5.290 3.045 2.775 3.548 . 0 0 "[ . 1 . 2]" 1
484 1 26 TYR QD 1 27 ASP H . . 4.380 4.127 3.647 4.409 0.029 17 0 "[ . 1 . 2]" 1
485 1 26 TYR QD 1 28 LEU QD . . 5.280 3.676 3.027 4.170 . 0 0 "[ . 1 . 2]" 1
486 1 26 TYR QD 1 92 ALA HA . . 4.660 3.905 3.422 4.484 . 0 0 "[ . 1 . 2]" 1
487 1 26 TYR QD 1 92 ALA MB . . 3.290 2.241 2.001 3.025 . 0 0 "[ . 1 . 2]" 1
488 1 26 TYR QD 1 93 THR HA . . 4.370 3.427 2.969 4.100 . 0 0 "[ . 1 . 2]" 1
489 1 26 TYR QD 1 93 THR MG . . 4.700 4.515 4.171 4.786 0.086 17 0 "[ . 1 . 2]" 1
490 1 26 TYR QE 1 92 ALA MB . . 3.950 3.644 3.049 4.024 0.074 11 0 "[ . 1 . 2]" 1
491 1 26 TYR QE 1 93 THR HA . . 3.540 3.006 2.545 3.553 0.013 14 0 "[ . 1 . 2]" 1
492 1 26 TYR QE 1 93 THR MG . . 4.090 3.591 3.245 3.676 . 0 0 "[ . 1 . 2]" 1
493 1 27 ASP H 1 27 ASP QB . . 3.240 2.660 2.268 3.097 . 0 0 "[ . 1 . 2]" 1
494 1 27 ASP H 1 28 LEU H . . 4.710 3.837 3.533 4.058 . 0 0 "[ . 1 . 2]" 1
495 1 27 ASP H 1 28 LEU QD . . 4.910 3.272 2.702 4.013 . 0 0 "[ . 1 . 2]" 1
496 1 27 ASP H 1 28 LEU HG . . 5.500 4.397 3.688 5.140 . 0 0 "[ . 1 . 2]" 1
497 1 27 ASP H 1 95 LYS QE . . 5.440 4.603 2.922 6.754 1.314 9 3 "[ - . *+1 . 2]" 1
498 1 27 ASP HA 1 28 LEU H . . 2.950 2.232 2.022 2.416 . 0 0 "[ . 1 . 2]" 1
499 1 27 ASP HA 1 28 LEU HB2 . . 5.290 4.803 4.300 5.220 . 0 0 "[ . 1 . 2]" 1
500 1 27 ASP HA 1 28 LEU QD . . 4.170 3.270 2.763 3.651 . 0 0 "[ . 1 . 2]" 1
501 1 27 ASP HA 1 28 LEU HG . . 4.630 4.299 3.721 4.705 0.075 6 0 "[ . 1 . 2]" 1
502 1 27 ASP QB 1 28 LEU H . . 4.290 3.783 3.551 3.922 . 0 0 "[ . 1 . 2]" 1
503 1 28 LEU H 1 28 LEU HB2 . . 3.490 2.597 2.329 2.968 . 0 0 "[ . 1 . 2]" 1
504 1 28 LEU H 1 28 LEU QD . . 3.960 2.221 1.777 2.776 . 0 0 "[ . 1 . 2]" 1
505 1 28 LEU H 1 28 LEU HG . . 3.680 2.614 1.942 3.304 . 0 0 "[ . 1 . 2]" 1
506 1 28 LEU H 1 29 PRO HD2 . . 5.440 5.001 4.934 5.067 . 0 0 "[ . 1 . 2]" 1
507 1 28 LEU H 1 29 PRO HD3 . . 5.500 4.991 4.877 5.139 . 0 0 "[ . 1 . 2]" 1
508 1 28 LEU H 1 33 LEU QD . . 4.960 4.306 3.878 4.671 . 0 0 "[ . 1 . 2]" 1
509 1 28 LEU HA 1 28 LEU QD . . 4.140 2.805 2.210 3.141 . 0 0 "[ . 1 . 2]" 1
510 1 28 LEU HA 1 28 LEU HG . . 3.930 2.958 2.227 3.706 . 0 0 "[ . 1 . 2]" 1
511 1 28 LEU HA 1 29 PRO HD2 . . 3.280 2.402 2.299 2.608 . 0 0 "[ . 1 . 2]" 1
512 1 28 LEU HA 1 29 PRO HD3 . . 3.480 2.376 2.268 2.495 . 0 0 "[ . 1 . 2]" 1
513 1 28 LEU HA 1 95 LYS QE . . 3.490 3.259 2.032 5.014 1.524 9 5 "[ * . *+1 - .* 2]" 1
514 1 28 LEU HB2 1 32 PHE QD . . 4.850 3.691 2.846 4.490 . 0 0 "[ . 1 . 2]" 1
515 1 28 LEU HB2 1 33 LEU QD . . 3.990 2.392 2.157 2.821 . 0 0 "[ . 1 . 2]" 1
516 1 28 LEU HB3 1 29 PRO HD2 . . 5.170 2.609 2.337 2.887 . 0 0 "[ . 1 . 2]" 1
517 1 28 LEU HB3 1 32 PHE QD . . 3.510 2.713 2.222 3.198 . 0 0 "[ . 1 . 2]" 1
518 1 28 LEU HB3 1 33 LEU QD . . 3.310 2.908 2.485 3.344 0.034 9 0 "[ . 1 . 2]" 1
519 1 28 LEU QD 1 29 PRO HD2 . . 4.190 3.619 3.292 3.902 . 0 0 "[ . 1 . 2]" 1
520 1 28 LEU QD 1 32 PHE QD . . 3.270 2.583 2.274 3.016 . 0 0 "[ . 1 . 2]" 1
521 1 28 LEU QD 1 32 PHE QE . . 3.640 2.206 2.002 2.626 . 0 0 "[ . 1 . 2]" 1
522 1 28 LEU QD 1 91 LEU HB2 . . 4.450 3.646 3.253 4.233 . 0 0 "[ . 1 . 2]" 1
523 1 28 LEU QD 1 92 ALA H . . 4.090 3.514 3.259 3.772 . 0 0 "[ . 1 . 2]" 1
524 1 28 LEU QD 1 92 ALA HA . . 3.070 1.863 1.800 1.983 . 0 0 "[ . 1 . 2]" 1
525 1 28 LEU QD 1 95 LYS HD3 . . 5.180 2.346 1.983 4.311 . 0 0 "[ . 1 . 2]" 1
526 1 28 LEU QD 1 95 LYS QE . . 4.660 3.520 2.434 4.014 . 0 0 "[ . 1 . 2]" 1
527 1 28 LEU HG 1 92 ALA MB . . 4.820 4.343 3.649 4.811 . 0 0 "[ . 1 . 2]" 1
528 1 29 PRO HA 1 30 ALA H . . 3.020 2.360 2.219 2.726 . 0 0 "[ . 1 . 2]" 1
529 1 29 PRO HB2 1 30 ALA H . . 4.550 2.902 2.480 3.123 . 0 0 "[ . 1 . 2]" 1
530 1 29 PRO HB2 1 31 GLU H . . 4.670 2.575 2.066 2.940 . 0 0 "[ . 1 . 2]" 1
531 1 29 PRO HB2 1 32 PHE H . . 3.780 3.091 2.692 3.231 . 0 0 "[ . 1 . 2]" 1
532 1 29 PRO HB2 1 32 PHE HB2 . . 4.930 4.563 4.355 4.973 0.043 18 0 "[ . 1 . 2]" 1
533 1 29 PRO HB2 1 32 PHE HB3 . . 4.400 4.325 3.881 4.466 0.066 20 0 "[ . 1 . 2]" 1
534 1 29 PRO HB3 1 30 ALA H . . 3.960 3.661 2.903 3.846 . 0 0 "[ . 1 . 2]" 1
535 1 29 PRO HB3 1 30 ALA MB . . 5.440 5.146 4.762 5.439 . 0 0 "[ . 1 . 2]" 1
536 1 29 PRO HB3 1 31 GLU H . . 4.530 4.261 3.817 4.584 0.054 6 0 "[ . 1 . 2]" 1
537 1 29 PRO HB3 1 32 PHE H . . 4.470 4.528 4.384 4.551 0.081 10 0 "[ . 1 . 2]" 1
538 1 29 PRO HD2 1 32 PHE HB3 . . 3.900 2.576 2.228 2.993 . 0 0 "[ . 1 . 2]" 1
539 1 29 PRO HD2 1 95 LYS HD2 . . 4.970 2.632 2.168 4.521 . 0 0 "[ . 1 . 2]" 1
540 1 29 PRO HD2 1 95 LYS HD3 . . 4.850 3.747 2.891 4.246 . 0 0 "[ . 1 . 2]" 1
541 1 29 PRO HD2 1 95 LYS QE . . 5.230 3.733 2.556 4.659 . 0 0 "[ . 1 . 2]" 1
542 1 29 PRO HD3 1 32 PHE H . . 5.200 5.038 4.777 5.270 0.070 6 0 "[ . 1 . 2]" 1
543 1 29 PRO HD3 1 32 PHE QD . . 4.840 5.170 4.834 5.486 0.646 7 3 "[ -. + *1 . 2]" 1
544 1 29 PRO HD3 1 95 LYS HD2 . . 4.980 3.227 2.752 4.645 . 0 0 "[ . 1 . 2]" 1
545 1 29 PRO HD3 1 95 LYS HD3 . . 4.810 4.173 2.993 4.846 0.036 7 0 "[ . 1 . 2]" 1
546 1 29 PRO QG 1 32 PHE HB2 . . 5.220 2.300 2.087 3.402 . 0 0 "[ . 1 . 2]" 1
547 1 29 PRO HG2 1 30 ALA H . . 4.660 4.583 4.400 4.661 0.001 4 0 "[ . 1 . 2]" 1
548 1 29 PRO HG2 1 32 PHE H . . 4.040 2.216 1.921 2.751 . 0 0 "[ . 1 . 2]" 1
549 1 30 ALA H 1 30 ALA MB . . 3.130 2.236 2.151 2.398 . 0 0 "[ . 1 . 2]" 1
550 1 30 ALA H 1 31 GLU H . . 3.830 2.831 2.453 3.060 . 0 0 "[ . 1 . 2]" 1
551 1 30 ALA H 1 32 PHE H . . 5.500 4.410 4.136 4.604 . 0 0 "[ . 1 . 2]" 1
552 1 30 ALA H 1 59 LEU QD . . 5.500 4.372 3.916 4.767 . 0 0 "[ . 1 . 2]" 1
553 1 30 ALA HA 1 32 PHE H . . 5.140 4.300 3.811 4.724 . 0 0 "[ . 1 . 2]" 1
554 1 30 ALA HA 1 33 LEU H . . 4.410 3.780 3.434 4.061 . 0 0 "[ . 1 . 2]" 1
555 1 30 ALA HA 1 33 LEU QB . . 4.270 3.408 2.768 3.768 . 0 0 "[ . 1 . 2]" 1
556 1 30 ALA HA 1 33 LEU QD . . 3.550 2.818 2.250 3.533 . 0 0 "[ . 1 . 2]" 1
557 1 30 ALA HA 1 34 ARG H . . 4.610 4.453 4.112 4.820 0.210 11 0 "[ . 1 . 2]" 1
558 1 30 ALA HA 1 59 LEU QD . . 3.890 2.560 2.280 2.943 . 0 0 "[ . 1 . 2]" 1
559 1 30 ALA HA 1 59 LEU HG . . 4.880 4.592 3.461 4.959 0.079 12 0 "[ . 1 . 2]" 1
560 1 30 ALA HA 1 74 PHE QD . . 4.780 4.295 3.386 4.854 0.074 18 0 "[ . 1 . 2]" 1
561 1 30 ALA MB 1 31 GLU H . . 3.640 2.712 2.437 3.447 . 0 0 "[ . 1 . 2]" 1
562 1 30 ALA MB 1 32 PHE H . . 5.390 4.654 4.403 5.006 . 0 0 "[ . 1 . 2]" 1
563 1 30 ALA MB 1 57 VAL QG . . 3.840 2.540 1.881 3.462 . 0 0 "[ . 1 . 2]" 1
564 1 30 ALA MB 1 58 GLY H . . 5.500 4.125 3.657 4.553 . 0 0 "[ . 1 . 2]" 1
565 1 30 ALA MB 1 58 GLY HA2 . . 4.020 2.504 2.113 2.771 . 0 0 "[ . 1 . 2]" 1
566 1 30 ALA MB 1 58 GLY HA3 . . 3.840 3.839 3.390 4.113 0.273 13 0 "[ . 1 . 2]" 1
567 1 30 ALA MB 1 59 LEU H . . 3.860 2.862 2.103 3.711 . 0 0 "[ . 1 . 2]" 1
568 1 30 ALA MB 1 59 LEU QB . . 3.980 2.319 1.960 2.661 . 0 0 "[ . 1 . 2]" 1
569 1 30 ALA MB 1 59 LEU QD . . 3.700 2.148 1.993 2.548 . 0 0 "[ . 1 . 2]" 1
570 1 30 ALA MB 1 59 LEU HG . . 3.300 3.653 2.808 4.102 0.802 11 4 "[*- . 1+ . *2]" 1
571 1 30 ALA MB 1 74 PHE QD . . 4.280 3.401 2.299 4.153 . 0 0 "[ . 1 . 2]" 1
572 1 31 GLU H 1 31 GLU HB2 . . 3.680 3.461 2.516 3.695 0.015 16 0 "[ . 1 . 2]" 1
573 1 31 GLU H 1 31 GLU HB3 . . 3.590 2.478 2.223 2.748 . 0 0 "[ . 1 . 2]" 1
574 1 31 GLU H 1 31 GLU QG . . 5.110 2.895 2.088 4.021 . 0 0 "[ . 1 . 2]" 1
575 1 31 GLU H 1 32 PHE H . . 4.080 2.841 2.296 3.314 . 0 0 "[ . 1 . 2]" 1
576 1 31 GLU H 1 57 VAL QG . . 5.000 3.320 2.871 3.680 . 0 0 "[ . 1 . 2]" 1
577 1 31 GLU HA 1 33 LEU H . . 5.500 4.588 3.987 5.377 . 0 0 "[ . 1 . 2]" 1
578 1 31 GLU HA 1 34 ARG H . . 4.200 3.608 3.025 4.182 . 0 0 "[ . 1 . 2]" 1
579 1 31 GLU HA 1 34 ARG HB2 . . 4.410 3.836 3.273 4.503 0.093 17 0 "[ . 1 . 2]" 1
580 1 31 GLU HA 1 34 ARG HB3 . . 3.770 2.806 2.254 3.373 . 0 0 "[ . 1 . 2]" 1
581 1 31 GLU HA 1 57 VAL HB . . 4.850 4.187 2.780 4.922 0.072 6 0 "[ . 1 . 2]" 1
582 1 31 GLU HA 1 57 VAL QG . . 3.080 2.258 2.011 2.724 . 0 0 "[ . 1 . 2]" 1
583 1 31 GLU HB2 1 32 PHE H . . 4.210 4.077 3.787 4.323 0.113 8 0 "[ . 1 . 2]" 1
584 1 31 GLU HB2 1 57 VAL QG . . 4.700 2.948 2.408 3.452 . 0 0 "[ . 1 . 2]" 1
585 1 31 GLU HB2 1 99 TRP HH2 . . 5.070 4.101 3.085 5.132 0.062 2 0 "[ . 1 . 2]" 1
586 1 31 GLU HB3 1 32 PHE H . . 4.750 3.901 2.471 4.296 . 0 0 "[ . 1 . 2]" 1
587 1 31 GLU HB3 1 57 VAL QG . . 5.190 2.801 2.037 4.284 . 0 0 "[ . 1 . 2]" 1
588 1 31 GLU QG 1 32 PHE H . . 4.500 2.551 1.951 3.235 . 0 0 "[ . 1 . 2]" 1
589 1 31 GLU QG 1 99 TRP HH2 . . 3.800 2.577 2.177 2.901 . 0 0 "[ . 1 . 2]" 1
590 1 31 GLU QG 1 99 TRP HZ2 . . 4.650 3.944 3.401 4.512 . 0 0 "[ . 1 . 2]" 1
591 1 31 GLU QG 1 99 TRP HZ3 . . 4.150 3.183 2.445 3.772 . 0 0 "[ . 1 . 2]" 1
592 1 32 PHE H 1 32 PHE HB2 . . 3.690 2.721 2.595 2.974 . 0 0 "[ . 1 . 2]" 1
593 1 32 PHE H 1 32 PHE HB3 . . 3.750 2.306 2.251 2.375 . 0 0 "[ . 1 . 2]" 1
594 1 32 PHE H 1 32 PHE QD . . 4.180 4.158 3.981 4.220 0.040 7 0 "[ . 1 . 2]" 1
595 1 32 PHE H 1 32 PHE QR . . 4.870 4.097 3.930 4.156 . 0 0 "[ . 1 . 2]" 1
596 1 32 PHE H 1 33 LEU H . . 3.760 2.777 2.547 2.929 . 0 0 "[ . 1 . 2]" 1
597 1 32 PHE H 1 34 ARG H . . 5.230 4.239 3.946 4.476 . 0 0 "[ . 1 . 2]" 1
598 1 32 PHE HA 1 32 PHE QD . . 3.500 2.931 2.552 3.225 . 0 0 "[ . 1 . 2]" 1
599 1 32 PHE HA 1 35 VAL H . . 5.180 3.803 3.518 4.384 . 0 0 "[ . 1 . 2]" 1
600 1 32 PHE HA 1 35 VAL MG1 . . 5.290 4.072 3.522 4.607 . 0 0 "[ . 1 . 2]" 1
601 1 32 PHE HA 1 35 VAL MG2 . . 3.570 2.398 2.146 2.835 . 0 0 "[ . 1 . 2]" 1
602 1 32 PHE HA 1 99 TRP HE3 . . 4.050 3.470 2.865 4.086 0.036 12 0 "[ . 1 . 2]" 1
603 1 32 PHE HA 1 99 TRP HZ3 . . 3.490 2.852 2.225 3.476 . 0 0 "[ . 1 . 2]" 1
604 1 32 PHE HB2 1 33 LEU H . . 4.470 3.984 3.765 4.417 . 0 0 "[ . 1 . 2]" 1
605 1 32 PHE HB2 1 35 VAL MG2 . . 5.020 4.372 3.878 4.794 . 0 0 "[ . 1 . 2]" 1
606 1 32 PHE HB2 1 99 TRP HZ3 . . 4.730 4.079 3.436 4.769 0.039 13 0 "[ . 1 . 2]" 1
607 1 32 PHE HB3 1 33 LEU H . . 4.010 2.642 2.298 3.434 . 0 0 "[ . 1 . 2]" 1
608 1 32 PHE QR 1 33 LEU H . . 4.570 2.989 2.330 3.558 . 0 0 "[ . 1 . 2]" 1
609 1 32 PHE QR 1 95 LYS H . . 5.140 4.485 3.899 4.821 . 0 0 "[ . 1 . 2]" 1
610 1 32 PHE QR 1 98 LEU H . . 4.760 4.290 3.945 4.570 . 0 0 "[ . 1 . 2]" 1
611 1 32 PHE QR 1 99 TRP H . . 4.060 3.205 2.479 3.741 . 0 0 "[ . 1 . 2]" 1
612 1 32 PHE QD 1 33 LEU H . . 4.130 3.011 2.336 3.601 . 0 0 "[ . 1 . 2]" 1
613 1 32 PHE QD 1 33 LEU HA . . 4.400 3.301 2.671 3.880 . 0 0 "[ . 1 . 2]" 1
614 1 32 PHE QD 1 33 LEU QD . . 4.020 2.424 1.786 3.285 . 0 0 "[ . 1 . 2]" 1
615 1 32 PHE QD 1 33 LEU HG . . 3.450 2.865 2.183 3.560 0.110 15 0 "[ . 1 . 2]" 1
616 1 32 PHE QD 1 34 ARG H . . 5.500 5.303 4.894 5.780 0.280 17 0 "[ . 1 . 2]" 1
617 1 32 PHE QD 1 95 LYS HD2 . . 5.180 4.079 3.084 5.188 0.008 1 0 "[ . 1 . 2]" 1
618 1 32 PHE QD 1 95 LYS HD3 . . 5.060 4.797 4.099 5.256 0.196 9 0 "[ . 1 . 2]" 1
619 1 32 PHE QD 1 95 LYS HG3 . . 3.800 3.148 2.800 3.432 . 0 0 "[ . 1 . 2]" 1
620 1 32 PHE QD 1 98 LEU HB2 . . 4.150 4.421 4.113 4.886 0.736 20 4 "[ * * 1 .- +]" 1
621 1 32 PHE QD 1 99 TRP H . . 4.940 4.398 4.021 4.758 . 0 0 "[ . 1 . 2]" 1
622 1 32 PHE QD 1 99 TRP HA . . 3.950 3.445 2.671 3.987 0.037 7 0 "[ . 1 . 2]" 1
623 1 32 PHE QD 1 99 TRP HE3 . . 3.030 2.402 2.005 2.997 . 0 0 "[ . 1 . 2]" 1
624 1 32 PHE QE 1 91 LEU HA . . 3.880 4.202 3.809 4.720 0.840 11 4 "[ .* 1+ - * 2]" 1
625 1 32 PHE QE 1 91 LEU HB2 . . 4.940 3.520 2.838 4.114 . 0 0 "[ . 1 . 2]" 1
626 1 32 PHE QE 1 91 LEU HB3 . . 3.400 2.313 1.981 2.975 . 0 0 "[ . 1 . 2]" 1
627 1 32 PHE QE 1 91 LEU MD1 . . 4.250 3.321 2.336 4.318 0.068 18 0 "[ . 1 . 2]" 1
628 1 32 PHE QE 1 91 LEU MD2 . . 3.480 3.464 2.491 4.300 0.820 6 3 "[ .+ 1* . - 2]" 1
629 1 32 PHE QE 1 95 LYS HA . . 3.220 2.641 2.267 3.051 . 0 0 "[ . 1 . 2]" 1
630 1 32 PHE QE 1 95 LYS HB2 . . 4.680 3.448 2.456 4.049 . 0 0 "[ . 1 . 2]" 1
631 1 32 PHE QE 1 95 LYS HB3 . . 5.010 4.693 4.116 5.052 0.042 15 0 "[ . 1 . 2]" 1
632 1 32 PHE QE 1 98 LEU H . . 4.620 4.371 3.997 4.672 0.052 4 0 "[ . 1 . 2]" 1
633 1 32 PHE QE 1 98 LEU HA . . 5.030 4.721 4.371 5.114 0.084 7 0 "[ . 1 . 2]" 1
634 1 32 PHE QE 1 98 LEU HB2 . . 3.540 2.258 1.955 2.640 . 0 0 "[ . 1 . 2]" 1
635 1 32 PHE QE 1 98 LEU HB3 . . 4.070 2.621 2.079 3.152 . 0 0 "[ . 1 . 2]" 1
636 1 32 PHE QE 1 98 LEU QD . . 3.620 2.879 2.581 3.178 . 0 0 "[ . 1 . 2]" 1
637 1 32 PHE QE 1 98 LEU HG . . 5.450 4.255 3.910 4.459 . 0 0 "[ . 1 . 2]" 1
638 1 32 PHE QE 1 99 TRP H . . 4.290 3.308 2.500 3.965 . 0 0 "[ . 1 . 2]" 1
639 1 32 PHE QE 1 99 TRP HA . . 4.540 3.802 2.917 4.315 . 0 0 "[ . 1 . 2]" 1
640 1 32 PHE QE 1 99 TRP HE3 . . 4.270 4.045 3.474 4.326 0.056 13 0 "[ . 1 . 2]" 1
641 1 33 LEU H 1 33 LEU QB . . 3.670 2.378 2.231 2.545 . 0 0 "[ . 1 . 2]" 1
642 1 33 LEU H 1 33 LEU QD . . 3.790 2.386 1.790 3.161 . 0 0 "[ . 1 . 2]" 1
643 1 33 LEU H 1 33 LEU HG . . 3.670 3.060 2.144 3.700 0.030 13 0 "[ . 1 . 2]" 1
644 1 33 LEU H 1 34 ARG H . . 3.860 2.709 2.538 2.934 . 0 0 "[ . 1 . 2]" 1
645 1 33 LEU HA 1 33 LEU QD . . 3.080 2.418 1.986 2.970 . 0 0 "[ . 1 . 2]" 1
646 1 33 LEU HA 1 33 LEU HG . . 3.900 2.893 2.150 3.610 . 0 0 "[ . 1 . 2]" 1
647 1 33 LEU HA 1 36 HIS H . . 4.360 3.429 3.002 3.827 . 0 0 "[ . 1 . 2]" 1
648 1 33 LEU HA 1 36 HIS HB3 . . 4.400 3.754 2.872 4.734 0.334 20 0 "[ . 1 . 2]" 1
649 1 33 LEU HA 1 74 PHE QE . . 5.120 4.632 4.317 4.809 . 0 0 "[ . 1 . 2]" 1
650 1 33 LEU QB 1 34 ARG H . . 3.770 2.692 2.479 2.957 . 0 0 "[ . 1 . 2]" 1
651 1 33 LEU QB 1 72 LEU QD . . 4.810 2.932 2.234 3.436 . 0 0 "[ . 1 . 2]" 1
652 1 33 LEU QB 1 74 PHE QD . . 5.240 3.998 3.214 4.576 . 0 0 "[ . 1 . 2]" 1
653 1 33 LEU QB 1 74 PHE QE . . 3.690 2.171 1.954 2.712 . 0 0 "[ . 1 . 2]" 1
654 1 33 LEU QB 1 83 PHE QE . . 4.740 3.932 3.320 4.435 . 0 0 "[ . 1 . 2]" 1
655 1 33 LEU QB 1 83 PHE HZ . . 4.520 3.710 2.709 4.429 . 0 0 "[ . 1 . 2]" 1
656 1 33 LEU QD 1 34 ARG H . . 4.970 3.964 3.656 4.291 . 0 0 "[ . 1 . 2]" 1
657 1 33 LEU QD 1 72 LEU QD . . 3.480 2.560 1.868 3.145 . 0 0 "[ . 1 . 2]" 1
658 1 33 LEU QD 1 74 PHE QE . . 5.250 3.302 2.936 3.759 . 0 0 "[ . 1 . 2]" 1
659 1 33 LEU QD 1 83 PHE QE . . 4.550 3.526 2.612 4.304 . 0 0 "[ . 1 . 2]" 1
660 1 33 LEU QD 1 83 PHE HZ . . 5.210 4.192 3.131 4.999 . 0 0 "[ . 1 . 2]" 1
661 1 33 LEU HG 1 34 ARG H . . 4.930 4.796 4.383 5.011 0.081 5 0 "[ . 1 . 2]" 1
662 1 34 ARG H 1 34 ARG HB2 . . 3.680 2.689 2.491 3.428 . 0 0 "[ . 1 . 2]" 1
663 1 34 ARG H 1 34 ARG HB3 . . 3.490 2.418 2.155 2.589 . 0 0 "[ . 1 . 2]" 1
664 1 34 ARG H 1 35 VAL H . . 3.730 2.948 2.731 3.230 . 0 0 "[ . 1 . 2]" 1
665 1 34 ARG H 1 35 VAL MG2 . . 5.420 4.299 3.975 4.640 . 0 0 "[ . 1 . 2]" 1
666 1 34 ARG H 1 36 HIS H . . 5.300 4.308 4.001 5.082 . 0 0 "[ . 1 . 2]" 1
667 1 34 ARG H 1 74 PHE QD . . 4.210 4.022 3.399 4.245 0.035 17 0 "[ . 1 . 2]" 1
668 1 34 ARG H 1 74 PHE QE . . 4.630 3.078 2.166 4.156 . 0 0 "[ . 1 . 2]" 1
669 1 34 ARG HA 1 34 ARG QD . . 3.620 2.463 2.027 3.440 . 0 0 "[ . 1 . 2]" 1
670 1 34 ARG HA 1 36 HIS H . . 5.140 4.428 3.872 5.030 . 0 0 "[ . 1 . 2]" 1
671 1 34 ARG HA 1 37 SER H . . 5.190 4.254 3.650 5.066 . 0 0 "[ . 1 . 2]" 1
672 1 34 ARG HA 1 37 SER HA . . 5.500 5.044 4.692 5.192 . 0 0 "[ . 1 . 2]" 1
673 1 34 ARG HA 1 37 SER QB . . 4.470 2.681 2.312 3.076 . 0 0 "[ . 1 . 2]" 1
674 1 34 ARG HA 1 74 PHE QD . . 4.290 3.848 3.393 4.263 . 0 0 "[ . 1 . 2]" 1
675 1 34 ARG HA 1 74 PHE QE . . 3.890 3.404 2.894 3.964 0.074 8 0 "[ . 1 . 2]" 1
676 1 34 ARG HB2 1 35 VAL H . . 4.570 4.127 3.844 4.481 . 0 0 "[ . 1 . 2]" 1
677 1 34 ARG HB2 1 74 PHE QD . . 4.830 2.893 2.341 3.415 . 0 0 "[ . 1 . 2]" 1
678 1 34 ARG HB3 1 35 VAL H . . 3.870 2.857 2.430 3.889 0.019 17 0 "[ . 1 . 2]" 1
679 1 34 ARG HB3 1 74 PHE QD . . 4.990 4.298 3.649 4.797 . 0 0 "[ . 1 . 2]" 1
680 1 34 ARG QD 1 35 VAL H . . 5.340 4.508 2.122 5.047 . 0 0 "[ . 1 . 2]" 1
681 1 34 ARG QD 1 37 SER QB . . 5.230 3.594 2.820 4.725 . 0 0 "[ . 1 . 2]" 1
682 1 34 ARG QG 1 35 VAL MG1 . . 2.840 2.884 2.540 2.967 0.127 17 0 "[ . 1 . 2]" 1
683 1 34 ARG QG 1 74 PHE QD . . 4.530 4.335 3.858 4.596 0.066 2 0 "[ . 1 . 2]" 1
684 1 35 VAL H 1 35 VAL HB . . 4.070 3.673 3.621 3.774 . 0 0 "[ . 1 . 2]" 1
685 1 35 VAL H 1 35 VAL MG1 . . 3.350 2.362 2.124 2.749 . 0 0 "[ . 1 . 2]" 1
686 1 35 VAL H 1 35 VAL MG2 . . 3.370 2.170 2.000 2.282 . 0 0 "[ . 1 . 2]" 1
687 1 35 VAL H 1 36 HIS H . . 3.370 2.632 2.279 2.887 . 0 0 "[ . 1 . 2]" 1
688 1 35 VAL H 1 37 SER H . . 5.180 4.511 4.046 4.912 . 0 0 "[ . 1 . 2]" 1
689 1 35 VAL HA 1 35 VAL MG1 . . 3.490 2.256 2.144 2.387 . 0 0 "[ . 1 . 2]" 1
690 1 35 VAL HA 1 51 GLN H . . 5.300 4.846 4.503 4.883 . 0 0 "[ . 1 . 2]" 1
691 1 35 VAL HA 1 51 GLN HB2 . . 3.950 2.681 2.270 3.221 . 0 0 "[ . 1 . 2]" 1
692 1 35 VAL HA 1 51 GLN HB3 . . 4.380 3.290 2.461 4.432 0.052 20 0 "[ . 1 . 2]" 1
693 1 35 VAL HA 1 51 GLN HG2 . . 4.030 3.794 1.990 4.660 0.630 7 6 "[ * .*+ 1 *- . *2]" 1
694 1 35 VAL HA 1 51 GLN HG3 . . 4.600 3.368 2.220 4.657 0.057 9 0 "[ . 1 . 2]" 1
695 1 35 VAL HB 1 36 HIS H . . 4.570 4.088 3.581 4.460 . 0 0 "[ . 1 . 2]" 1
696 1 35 VAL HB 1 51 GLN H . . 5.090 4.061 3.408 4.637 . 0 0 "[ . 1 . 2]" 1
697 1 35 VAL MG1 1 36 HIS H . . 4.380 4.152 4.010 4.321 . 0 0 "[ . 1 . 2]" 1
698 1 35 VAL MG1 1 37 SER H . . 5.500 5.257 4.963 5.543 0.043 10 0 "[ . 1 . 2]" 1
699 1 35 VAL MG1 1 51 GLN HB2 . . 3.580 2.374 1.978 2.861 . 0 0 "[ . 1 . 2]" 1
700 1 35 VAL MG1 1 51 GLN HB3 . . 4.900 2.833 2.155 3.518 . 0 0 "[ . 1 . 2]" 1
701 1 35 VAL MG1 1 99 TRP HZ3 . . 5.180 3.662 2.851 4.515 . 0 0 "[ . 1 . 2]" 1
702 1 35 VAL MG2 1 36 HIS H . . 3.610 2.668 1.994 3.347 . 0 0 "[ . 1 . 2]" 1
703 1 35 VAL MG2 1 36 HIS HA . . 5.400 4.011 3.685 4.513 . 0 0 "[ . 1 . 2]" 1
704 1 35 VAL MG2 1 37 SER H . . 5.500 4.815 4.468 5.147 . 0 0 "[ . 1 . 2]" 1
705 1 35 VAL MG2 1 99 TRP HE3 . . 4.620 3.487 2.891 4.004 . 0 0 "[ . 1 . 2]" 1
706 1 35 VAL MG2 1 99 TRP HH2 . . 4.490 4.351 3.957 4.553 0.063 7 0 "[ . 1 . 2]" 1
707 1 35 VAL MG2 1 99 TRP HZ3 . . 3.380 2.526 2.068 2.883 . 0 0 "[ . 1 . 2]" 1
708 1 35 VAL MG2 1 102 TYR QD . . 3.800 2.971 2.348 3.342 . 0 0 "[ . 1 . 2]" 1
709 1 36 HIS H 1 36 HIS HB2 . . 3.830 2.675 2.176 3.762 . 0 0 "[ . 1 . 2]" 1
710 1 36 HIS H 1 36 HIS HB3 . . 3.560 3.063 2.589 3.771 0.211 7 0 "[ . 1 . 2]" 1
711 1 36 HIS H 1 37 SER QB . . 4.960 4.124 3.490 4.466 . 0 0 "[ . 1 . 2]" 1
712 1 36 HIS H 1 83 PHE HZ . . 5.500 5.522 4.574 6.474 0.974 8 5 "[ ***. + - . 2]" 1
713 1 36 HIS HA 1 91 LEU MD1 . . 5.500 4.889 4.279 5.454 . 0 0 "[ . 1 . 2]" 1
714 1 36 HIS HA 1 91 LEU MD2 . . 5.500 4.811 4.297 4.995 . 0 0 "[ . 1 . 2]" 1
715 1 36 HIS HB2 1 36 HIS HD2 . . 3.740 2.865 2.527 3.852 0.112 5 0 "[ . 1 . 2]" 1
716 1 36 HIS HB2 1 91 LEU MD1 . . 3.750 3.693 2.362 4.344 0.594 8 4 "[*- . +*1 . 2]" 1
717 1 36 HIS HB2 1 91 LEU MD2 . . 4.120 3.514 2.821 4.061 . 0 0 "[ . 1 . 2]" 1
718 1 36 HIS HB3 1 37 SER H . . 5.190 4.387 3.487 4.605 . 0 0 "[ . 1 . 2]" 1
719 1 36 HIS HB3 1 91 LEU MD1 . . 4.260 2.974 2.315 4.357 0.097 6 0 "[ . 1 . 2]" 1
720 1 36 HIS HB3 1 91 LEU MD2 . . 3.910 3.099 2.393 3.957 0.047 6 0 "[ . 1 . 2]" 1
721 1 36 HIS HD2 1 91 LEU MD2 . . 3.770 2.840 2.116 3.802 0.032 1 0 "[ . 1 . 2]" 1
722 1 36 HIS HD2 1 98 LEU HB2 . . 5.120 4.292 3.440 5.097 . 0 0 "[ . 1 . 2]" 1
723 1 36 HIS HD2 1 98 LEU HB3 . . 5.020 3.293 2.386 4.115 . 0 0 "[ . 1 . 2]" 1
724 1 36 HIS HD2 1 98 LEU QD . . 3.960 2.625 2.028 3.573 . 0 0 "[ . 1 . 2]" 1
725 1 37 SER H 1 37 SER QB . . 3.460 2.440 2.149 2.825 . 0 0 "[ . 1 . 2]" 1
726 1 37 SER H 1 38 PRO QD . . 5.410 3.933 3.483 4.436 . 0 0 "[ . 1 . 2]" 1
727 1 37 SER H 1 83 PHE QE . . 5.500 4.940 4.620 5.243 . 0 0 "[ . 1 . 2]" 1
728 1 37 SER H 1 83 PHE HZ . . 5.330 4.498 3.858 5.155 . 0 0 "[ . 1 . 2]" 1
729 1 37 SER HA 1 38 PRO QD . . 3.400 2.070 1.991 2.125 . 0 0 "[ . 1 . 2]" 1
730 1 37 SER HA 1 83 PHE QE . . 4.140 2.830 2.520 3.080 . 0 0 "[ . 1 . 2]" 1
731 1 37 SER HA 1 83 PHE HZ . . 3.540 2.410 2.021 2.908 . 0 0 "[ . 1 . 2]" 1
732 1 37 SER HA 1 87 TYR QE . . 4.620 3.817 2.904 4.388 . 0 0 "[ . 1 . 2]" 1
733 1 37 SER QB 1 38 PRO QD . . 4.970 3.540 2.134 3.890 . 0 0 "[ . 1 . 2]" 1
734 1 37 SER QB 1 83 PHE QE . . 4.250 3.323 2.310 3.808 . 0 0 "[ . 1 . 2]" 1
735 1 37 SER QB 1 83 PHE HZ . . 4.080 2.377 2.014 2.736 . 0 0 "[ . 1 . 2]" 1
736 1 38 PRO HA 1 39 SER H . . 3.040 2.341 2.206 2.641 . 0 0 "[ . 1 . 2]" 1
737 1 38 PRO HA 1 87 TYR QE . . 5.270 5.545 4.402 5.864 0.594 14 3 "[ . * 1 +.- 2]" 1
738 1 38 PRO HB2 1 39 SER H . . 4.500 3.560 2.254 4.408 . 0 0 "[ . 1 . 2]" 1
739 1 38 PRO HB3 1 39 SER H . . 4.530 4.137 3.408 4.537 0.007 8 0 "[ . 1 . 2]" 1
740 1 38 PRO HB3 1 87 TYR QE . . 4.460 4.376 3.025 5.144 0.684 14 1 "[ . 1 +. 2]" 1
741 1 38 PRO QD 1 39 SER H . . 5.460 4.769 3.689 4.931 . 0 0 "[ . 1 . 2]" 1
742 1 38 PRO QD 1 83 PHE HA . . 4.380 4.254 3.065 5.452 1.072 14 3 "[ . 1 +-* 2]" 1
743 1 38 PRO QD 1 83 PHE QE . . 4.600 2.864 2.331 3.416 . 0 0 "[ . 1 . 2]" 1
744 1 38 PRO QD 1 83 PHE HZ . . 4.530 3.353 2.769 3.937 . 0 0 "[ . 1 . 2]" 1
745 1 38 PRO QD 1 87 TYR QE . . 3.260 2.170 1.932 2.511 . 0 0 "[ . 1 . 2]" 1
746 1 38 PRO HG2 1 87 TYR QE . . 4.600 3.450 2.375 4.584 . 0 0 "[ . 1 . 2]" 1
747 1 38 PRO HG3 1 87 TYR QE . . 5.000 2.832 2.340 3.529 . 0 0 "[ . 1 . 2]" 1
748 1 39 SER H 1 39 SER QB . . 3.270 2.532 2.101 3.010 . 0 0 "[ . 1 . 2]" 1
749 1 39 SER H 1 40 ALA H . . 4.550 4.219 2.375 4.567 0.017 16 0 "[ . 1 . 2]" 1
750 1 39 SER H 1 42 VAL QG . . 5.500 3.392 1.708 5.562 0.062 8 0 "[ . 1 . 2]" 1
751 1 39 SER HA 1 40 ALA H . . 2.880 2.373 2.098 2.920 0.040 4 0 "[ . 1 . 2]" 1
752 1 39 SER HA 1 40 ALA MB . . 4.090 4.018 3.591 4.172 0.082 12 0 "[ . 1 . 2]" 1
753 1 39 SER HA 1 78 HIS HE1 . . 5.200 3.952 2.167 5.240 0.040 14 0 "[ . 1 . 2]" 1
754 1 39 SER QB 1 40 ALA H . . 4.240 3.261 2.401 3.893 . 0 0 "[ . 1 . 2]" 1
755 1 39 SER QB 1 40 ALA MB . . 4.820 4.538 3.909 5.130 0.310 10 0 "[ . 1 . 2]" 1
756 1 39 SER QB 1 41 GLU H . . 4.240 3.069 2.340 3.953 . 0 0 "[ . 1 . 2]" 1
757 1 39 SER QB 1 42 VAL H . . 5.030 4.069 3.560 4.350 . 0 0 "[ . 1 . 2]" 1
758 1 39 SER QB 1 42 VAL QG . . 4.290 2.160 1.937 2.786 . 0 0 "[ . 1 . 2]" 1
759 1 39 SER QB 1 78 HIS HE1 . . 4.390 3.061 2.116 3.796 . 0 0 "[ . 1 . 2]" 1
760 1 40 ALA H 1 40 ALA MB . . 3.060 2.346 2.193 2.946 . 0 0 "[ . 1 . 2]" 1
761 1 40 ALA H 1 41 GLU H . . 3.440 2.566 1.972 3.476 0.036 4 0 "[ . 1 . 2]" 1
762 1 40 ALA HA 1 41 GLU H . . 3.030 3.420 3.296 3.471 0.441 12 0 "[ . 1 . 2]" 1
763 1 40 ALA HA 1 42 VAL H . . 5.100 3.654 3.206 4.529 . 0 0 "[ . 1 . 2]" 1
764 1 40 ALA MB 1 41 GLU H . . 3.440 3.043 2.488 3.384 . 0 0 "[ . 1 . 2]" 1
765 1 40 ALA MB 1 41 GLU HA . . 4.010 3.983 3.561 4.259 0.249 5 0 "[ . 1 . 2]" 1
766 1 40 ALA MB 1 41 GLU QG . . 4.680 3.060 2.312 4.095 . 0 0 "[ . 1 . 2]" 1
767 1 40 ALA MB 1 42 VAL H . . 5.240 4.336 4.087 4.608 . 0 0 "[ . 1 . 2]" 1
768 1 41 GLU H 1 41 GLU HA . . 2.880 2.900 2.826 2.932 0.052 4 0 "[ . 1 . 2]" 1
769 1 41 GLU H 1 41 GLU HB2 . . 3.180 2.507 2.202 2.791 . 0 0 "[ . 1 . 2]" 1
770 1 41 GLU H 1 41 GLU QG . . 3.890 2.414 1.801 3.260 . 0 0 "[ . 1 . 2]" 1
771 1 41 GLU H 1 41 GLU HG3 . . 3.780 2.770 1.816 3.636 . 0 0 "[ . 1 . 2]" 1
772 1 41 GLU H 1 42 VAL H . . 3.630 2.777 2.069 3.209 . 0 0 "[ . 1 . 2]" 1
773 1 41 GLU H 1 42 VAL HA . . 5.160 4.874 4.394 5.152 . 0 0 "[ . 1 . 2]" 1
774 1 41 GLU H 1 42 VAL QG . . 5.120 2.997 2.575 3.395 . 0 0 "[ . 1 . 2]" 1
775 1 41 GLU HA 1 41 GLU HB3 . . 3.020 2.475 2.365 2.684 . 0 0 "[ . 1 . 2]" 1
776 1 41 GLU HA 1 41 GLU QG . . 3.260 2.619 2.187 3.239 . 0 0 "[ . 1 . 2]" 1
777 1 41 GLU HA 1 42 VAL H . . 2.870 2.909 2.657 2.954 0.084 3 0 "[ . 1 . 2]" 1
778 1 41 GLU HA 1 42 VAL QG . . 4.530 4.240 3.990 4.529 . 0 0 "[ . 1 . 2]" 1
779 1 41 GLU HB2 1 42 VAL H . . 4.090 3.935 3.580 4.159 0.069 4 0 "[ . 1 . 2]" 1
780 1 41 GLU HB3 1 41 GLU QG . . 2.710 2.381 2.139 2.544 . 0 0 "[ . 1 . 2]" 1
781 1 41 GLU QG 1 42 VAL QG . . 4.820 4.508 3.681 4.896 0.076 15 0 "[ . 1 . 2]" 1
782 1 42 VAL H 1 42 VAL HB . . 3.160 2.546 2.214 3.013 . 0 0 "[ . 1 . 2]" 1
783 1 42 VAL H 1 42 VAL QG . . 3.520 2.390 1.854 2.910 . 0 0 "[ . 1 . 2]" 1
784 1 42 VAL H 1 43 GLN H . . 3.360 2.469 1.921 3.117 . 0 0 "[ . 1 . 2]" 1
785 1 42 VAL H 1 44 GLY H . . 5.500 4.594 3.725 5.591 0.091 9 0 "[ . 1 . 2]" 1
786 1 42 VAL HA 1 42 VAL QG . . 2.950 2.123 2.074 2.209 . 0 0 "[ . 1 . 2]" 1
787 1 42 VAL HA 1 44 GLY H . . 5.280 4.850 4.148 5.276 . 0 0 "[ . 1 . 2]" 1
788 1 42 VAL HB 1 43 GLN H . . 3.490 2.962 2.087 3.567 0.077 18 0 "[ . 1 . 2]" 1
789 1 42 VAL QG 1 43 GLN H . . 3.970 3.306 2.266 3.727 . 0 0 "[ . 1 . 2]" 1
790 1 42 VAL QG 1 43 GLN QE . . 4.700 4.194 3.387 4.477 . 0 0 "[ . 1 . 2]" 1
791 1 42 VAL QG 1 43 GLN QG . . 4.030 3.962 2.093 4.186 0.156 12 0 "[ . 1 . 2]" 1
792 1 42 VAL QG 1 44 GLY H . . 5.320 3.183 1.954 3.961 . 0 0 "[ . 1 . 2]" 1
793 1 42 VAL QG 1 44 GLY HA2 . . 4.910 4.516 2.667 5.104 0.194 10 0 "[ . 1 . 2]" 1
794 1 42 VAL QG 1 44 GLY HA3 . . 5.020 4.308 3.465 5.108 0.088 9 0 "[ . 1 . 2]" 1
795 1 42 VAL QG 1 45 HIS HB2 . . 5.370 4.029 2.160 5.064 . 0 0 "[ . 1 . 2]" 1
796 1 42 VAL QG 1 45 HIS HB3 . . 5.160 4.287 2.541 5.330 0.170 11 0 "[ . 1 . 2]" 1
797 1 42 VAL QG 1 45 HIS HD2 . . 4.280 4.239 2.790 4.375 0.095 18 0 "[ . 1 . 2]" 1
798 1 42 VAL QG 1 46 GLY H . . 5.500 3.539 2.302 5.057 . 0 0 "[ . 1 . 2]" 1
799 1 42 VAL QG 1 46 GLY QA . . 5.220 3.265 1.939 4.700 . 0 0 "[ . 1 . 2]" 1
800 1 43 GLN H 1 43 GLN QB . . 3.550 3.239 2.709 3.515 . 0 0 "[ . 1 . 2]" 1
801 1 43 GLN H 1 43 GLN QG . . 3.280 2.856 2.423 3.372 0.092 14 0 "[ . 1 . 2]" 1
802 1 43 GLN HA 1 43 GLN QG . . 3.320 2.955 2.161 3.413 0.093 17 0 "[ . 1 . 2]" 1
803 1 43 GLN HA 1 44 GLY H . . 3.070 2.719 2.064 3.133 0.063 8 0 "[ . 1 . 2]" 1
804 1 43 GLN HA 1 44 GLY HA3 . . 4.810 4.579 4.292 4.872 0.062 19 0 "[ . 1 . 2]" 1
805 1 43 GLN QB 1 44 GLY H . . 4.150 3.926 3.649 4.136 . 0 0 "[ . 1 . 2]" 1
806 1 43 GLN QB 1 45 HIS H . . 5.500 5.169 4.371 5.588 0.088 3 0 "[ . 1 . 2]" 1
807 1 43 GLN QE 1 44 GLY H . . 5.500 5.634 5.075 6.394 0.894 17 3 "[ - 1 . + *]" 1
808 1 43 GLN QG 1 44 GLY H . . 5.090 4.390 3.712 4.832 . 0 0 "[ . 1 . 2]" 1
809 1 44 GLY HA3 1 45 HIS HD2 . . 4.830 4.513 2.812 5.490 0.660 2 5 "[ + . - * * *2]" 1
810 1 45 HIS H 1 45 HIS HB3 . . 4.190 3.437 2.514 4.050 . 0 0 "[ . 1 . 2]" 1
811 1 45 HIS HA 1 45 HIS HD2 . . 4.270 3.724 2.250 4.335 0.065 17 0 "[ . 1 . 2]" 1
812 1 45 HIS HA 1 46 GLY H . . 3.440 2.769 2.137 3.474 0.034 2 0 "[ . 1 . 2]" 1
813 1 45 HIS HB2 1 46 GLY H . . 4.690 3.692 1.992 4.617 . 0 0 "[ . 1 . 2]" 1
814 1 45 HIS HB3 1 45 HIS HD2 . . 3.790 3.622 2.489 3.951 0.161 9 0 "[ . 1 . 2]" 1
815 1 45 HIS HB3 1 46 GLY H . . 4.800 3.752 1.823 4.667 . 0 0 "[ . 1 . 2]" 1
816 1 46 GLY QA 1 47 ASN H . . 3.360 2.281 2.092 2.871 . 0 0 "[ . 1 . 2]" 1
817 1 47 ASN H 1 47 ASN HB2 . . 3.320 3.212 2.493 3.816 0.496 3 0 "[ . 1 . 2]" 1
818 1 47 ASN H 1 47 ASN HB3 . . 3.810 3.325 2.508 3.836 0.026 2 0 "[ . 1 . 2]" 1
819 1 47 ASN H 1 47 ASN HD21 . . 4.780 3.430 2.347 4.494 . 0 0 "[ . 1 . 2]" 1
820 1 47 ASN HA 1 48 PRO HD2 . . 2.940 2.514 2.348 2.777 . 0 0 "[ . 1 . 2]" 1
821 1 47 ASN HA 1 48 PRO HD3 . . 2.750 2.445 2.234 2.628 . 0 0 "[ . 1 . 2]" 1
822 1 47 ASN HA 1 48 PRO QG . . 4.730 4.144 4.019 4.324 . 0 0 "[ . 1 . 2]" 1
823 1 47 ASN HB2 1 48 PRO HD2 . . 4.000 2.968 2.074 4.031 0.031 1 0 "[ . 1 . 2]" 1
824 1 47 ASN HB2 1 48 PRO HD3 . . 4.700 4.151 3.343 4.764 0.064 20 0 "[ . 1 . 2]" 1
825 1 47 ASN HB3 1 48 PRO HD2 . . 3.700 2.897 2.117 3.746 0.046 19 0 "[ . 1 . 2]" 1
826 1 47 ASN HB3 1 48 PRO HD3 . . 4.080 4.048 3.420 4.710 0.630 19 1 "[ . 1 . +2]" 1
827 1 47 ASN HB3 1 49 VAL QG . . 5.370 4.490 2.583 5.568 0.198 3 0 "[ . 1 . 2]" 1
828 1 47 ASN HD21 1 49 VAL QG . . 5.500 3.812 2.119 5.591 0.091 17 0 "[ . 1 . 2]" 1
829 1 48 PRO HA 1 49 VAL H . . 2.520 2.193 2.079 2.285 . 0 0 "[ . 1 . 2]" 1
830 1 48 PRO HA 1 49 VAL HB . . 4.890 4.632 4.290 4.941 0.051 12 0 "[ . 1 . 2]" 1
831 1 48 PRO HA 1 49 VAL QG . . 3.800 3.623 3.391 3.867 0.067 1 0 "[ . 1 . 2]" 1
832 1 48 PRO HB2 1 49 VAL H . . 3.810 3.568 2.803 3.881 0.071 6 0 "[ . 1 . 2]" 1
833 1 48 PRO HD2 1 49 VAL H . . 5.500 5.460 5.070 5.584 0.084 16 0 "[ . 1 . 2]" 1
834 1 48 PRO HD2 1 49 VAL QG . . 5.450 4.890 4.025 5.479 0.029 3 0 "[ . 1 . 2]" 1
835 1 48 PRO QG 1 49 VAL H . . 4.640 4.639 4.260 4.813 0.173 12 0 "[ . 1 . 2]" 1
836 1 48 PRO QG 1 49 VAL QG . . 5.210 4.759 4.278 5.207 . 0 0 "[ . 1 . 2]" 1
837 1 49 VAL H 1 49 VAL HB . . 2.960 2.870 2.534 3.046 0.086 8 0 "[ . 1 . 2]" 1
838 1 49 VAL H 1 49 VAL QG . . 3.370 2.648 1.997 3.082 . 0 0 "[ . 1 . 2]" 1
839 1 49 VAL H 1 51 GLN QE . . 5.470 4.439 3.496 5.372 . 0 0 "[ . 1 . 2]" 1
840 1 49 VAL HA 1 49 VAL QG . . 2.920 2.204 2.098 2.397 . 0 0 "[ . 1 . 2]" 1
841 1 49 VAL HA 1 50 LEU H . . 2.530 2.175 1.890 2.524 . 0 0 "[ . 1 . 2]" 1
842 1 49 VAL HA 1 50 LEU HA . . 4.600 4.420 4.312 4.582 . 0 0 "[ . 1 . 2]" 1
843 1 49 VAL HA 1 50 LEU HB3 . . 4.900 4.562 4.111 5.076 0.176 11 0 "[ . 1 . 2]" 1
844 1 49 VAL HB 1 50 LEU H . . 4.020 4.001 3.618 4.056 0.036 18 0 "[ . 1 . 2]" 1
845 1 49 VAL HB 1 51 GLN QE . . 4.390 3.292 2.559 4.052 . 0 0 "[ . 1 . 2]" 1
846 1 49 VAL QG 1 50 LEU H . . 3.790 2.526 2.072 2.872 . 0 0 "[ . 1 . 2]" 1
847 1 49 VAL QG 1 51 GLN HA . . 5.390 4.077 3.497 4.690 . 0 0 "[ . 1 . 2]" 1
848 1 49 VAL QG 1 51 GLN QE . . 4.230 2.542 1.730 3.734 . 0 0 "[ . 1 . 2]" 1
849 1 49 VAL QG 1 51 GLN HG3 . . 4.560 4.242 2.911 4.858 0.298 7 0 "[ . 1 . 2]" 1
850 1 50 LEU H 1 50 LEU HB2 . . 3.230 2.643 2.140 3.017 . 0 0 "[ . 1 . 2]" 1
851 1 50 LEU H 1 50 LEU HB3 . . 3.200 2.507 2.281 2.964 . 0 0 "[ . 1 . 2]" 1
852 1 50 LEU H 1 50 LEU QD . . 4.410 3.707 3.456 3.810 . 0 0 "[ . 1 . 2]" 1
853 1 50 LEU H 1 51 GLN H . . 4.630 4.457 4.273 4.628 . 0 0 "[ . 1 . 2]" 1
854 1 50 LEU H 1 51 GLN QE . . 5.180 4.566 3.344 6.199 1.019 19 2 "[ - . 1 . +2]" 1
855 1 50 LEU H 1 52 TYR QD . . 5.500 5.249 4.863 5.581 0.081 12 0 "[ . 1 . 2]" 1
856 1 50 LEU HA 1 50 LEU QD . . 3.040 2.161 1.953 2.455 . 0 0 "[ . 1 . 2]" 1
857 1 50 LEU HA 1 51 GLN H . . 2.850 2.173 2.018 2.298 . 0 0 "[ . 1 . 2]" 1
858 1 50 LEU HA 1 51 GLN HG3 . . 5.000 4.738 3.839 5.064 0.064 4 0 "[ . 1 . 2]" 1
859 1 50 LEU HB2 1 50 LEU QD . . 3.200 2.131 2.045 2.282 . 0 0 "[ . 1 . 2]" 1
860 1 50 LEU HB2 1 51 GLN H . . 5.360 4.270 3.996 4.537 . 0 0 "[ . 1 . 2]" 1
861 1 50 LEU HB3 1 51 GLN H . . 4.960 4.090 3.514 4.530 . 0 0 "[ . 1 . 2]" 1
862 1 50 LEU HB3 1 109 ALA MB . . 3.770 3.806 3.614 3.908 0.138 11 0 "[ . 1 . 2]" 1
863 1 50 LEU QD 1 51 GLN H . . 3.410 2.216 1.786 2.808 . 0 0 "[ . 1 . 2]" 1
864 1 50 LEU QD 1 52 TYR H . . 5.500 4.116 2.659 4.814 . 0 0 "[ . 1 . 2]" 1
865 1 50 LEU QD 1 52 TYR HB2 . . 5.240 4.272 3.862 4.711 . 0 0 "[ . 1 . 2]" 1
866 1 50 LEU QD 1 52 TYR HB3 . . 5.050 3.076 2.480 3.508 . 0 0 "[ . 1 . 2]" 1
867 1 50 LEU QD 1 52 TYR QD . . 3.580 3.099 2.183 3.552 . 0 0 "[ . 1 . 2]" 1
868 1 50 LEU QD 1 105 GLU H . . 5.470 4.329 3.947 4.806 . 0 0 "[ . 1 . 2]" 1
869 1 50 LEU QD 1 105 GLU HA . . 5.390 3.469 3.190 3.737 . 0 0 "[ . 1 . 2]" 1
870 1 50 LEU QD 1 105 GLU HB2 . . 4.130 2.833 2.198 3.558 . 0 0 "[ . 1 . 2]" 1
871 1 50 LEU QD 1 105 GLU HB3 . . 3.630 1.998 1.850 2.271 . 0 0 "[ . 1 . 2]" 1
872 1 50 LEU QD 1 105 GLU HG2 . . 4.370 3.959 3.686 4.238 . 0 0 "[ . 1 . 2]" 1
873 1 50 LEU QD 1 105 GLU HG3 . . 4.330 3.477 2.802 3.931 . 0 0 "[ . 1 . 2]" 1
874 1 50 LEU QD 1 106 LEU H . . 4.980 3.121 2.710 3.750 . 0 0 "[ . 1 . 2]" 1
875 1 50 LEU QD 1 106 LEU HA . . 3.480 2.217 1.880 2.992 . 0 0 "[ . 1 . 2]" 1
876 1 50 LEU QD 1 106 LEU QD . . 2.880 1.981 1.784 2.545 . 0 0 "[ . 1 . 2]" 1
877 1 50 LEU QD 1 108 SER H . . 5.500 4.733 4.488 5.224 . 0 0 "[ . 1 . 2]" 1
878 1 50 LEU QD 1 109 ALA H . . 5.250 3.539 3.309 3.833 . 0 0 "[ . 1 . 2]" 1
879 1 50 LEU QD 1 109 ALA HA . . 5.110 4.175 3.794 4.441 . 0 0 "[ . 1 . 2]" 1
880 1 50 LEU QD 1 109 ALA MB . . 3.100 2.033 1.892 2.287 . 0 0 "[ . 1 . 2]" 1
881 1 50 LEU HG 1 51 GLN H . . 4.260 3.483 2.658 4.292 0.032 10 0 "[ . 1 . 2]" 1
882 1 50 LEU HG 1 52 TYR HB3 . . 4.960 3.391 2.651 4.844 . 0 0 "[ . 1 . 2]" 1
883 1 50 LEU HG 1 52 TYR QD . . 3.610 3.133 2.540 3.611 0.001 10 0 "[ . 1 . 2]" 1
884 1 50 LEU HG 1 106 LEU QD . . 4.660 2.989 2.274 4.104 . 0 0 "[ . 1 . 2]" 1
885 1 51 GLN H 1 51 GLN HB2 . . 3.740 2.537 2.178 3.115 . 0 0 "[ . 1 . 2]" 1
886 1 51 GLN H 1 51 GLN HB3 . . 4.140 3.650 3.446 3.885 . 0 0 "[ . 1 . 2]" 1
887 1 51 GLN H 1 51 GLN QE . . 4.940 3.980 3.017 4.738 . 0 0 "[ . 1 . 2]" 1
888 1 51 GLN H 1 51 GLN HG2 . . 4.150 3.033 2.345 4.216 0.066 3 0 "[ . 1 . 2]" 1
889 1 51 GLN H 1 51 GLN HG3 . . 3.820 3.542 2.696 4.106 0.286 16 0 "[ . 1 . 2]" 1
890 1 51 GLN H 1 52 TYR H . . 4.580 4.112 3.157 4.524 . 0 0 "[ . 1 . 2]" 1
891 1 51 GLN HA 1 51 GLN QE . . 4.650 3.703 2.077 4.434 . 0 0 "[ . 1 . 2]" 1
892 1 51 GLN HA 1 51 GLN HG3 . . 4.170 3.491 2.600 3.952 . 0 0 "[ . 1 . 2]" 1
893 1 51 GLN HA 1 52 TYR H . . 2.850 2.260 2.090 2.504 . 0 0 "[ . 1 . 2]" 1
894 1 51 GLN HA 1 52 TYR QD . . 3.780 3.773 3.632 3.859 0.079 11 0 "[ . 1 . 2]" 1
895 1 51 GLN HB3 1 52 TYR H . . 4.340 3.869 3.368 4.343 0.003 3 0 "[ . 1 . 2]" 1
896 1 51 GLN HG3 1 52 TYR H . . 5.500 5.531 4.878 5.994 0.494 16 0 "[ . 1 . 2]" 1
897 1 52 TYR H 1 52 TYR QD . . 3.420 2.551 1.877 3.057 . 0 0 "[ . 1 . 2]" 1
898 1 52 TYR H 1 52 TYR QE . . 4.270 4.106 3.836 4.319 0.049 6 0 "[ . 1 . 2]" 1
899 1 52 TYR H 1 53 GLY H . . 4.950 4.359 4.256 4.491 . 0 0 "[ . 1 . 2]" 1
900 1 52 TYR H 1 106 LEU QD . . 5.500 4.029 3.178 4.735 . 0 0 "[ . 1 . 2]" 1
901 1 52 TYR HA 1 52 TYR QD . . 3.910 3.768 3.731 3.813 . 0 0 "[ . 1 . 2]" 1
902 1 52 TYR HA 1 53 GLY H . . 3.370 2.653 2.487 2.845 . 0 0 "[ . 1 . 2]" 1
903 1 52 TYR HA 1 106 LEU QD . . 3.970 2.470 2.050 3.314 . 0 0 "[ . 1 . 2]" 1
904 1 52 TYR HB2 1 53 GLY H . . 3.520 2.054 1.797 2.208 . 0 0 "[ . 1 . 2]" 1
905 1 52 TYR HB2 1 106 LEU QD . . 3.600 2.137 1.964 2.563 . 0 0 "[ . 1 . 2]" 1
906 1 52 TYR HB2 1 111 LYS HB2 . . 4.160 3.199 2.808 3.640 . 0 0 "[ . 1 . 2]" 1
907 1 52 TYR HB2 1 111 LYS HG2 . . 5.500 5.428 5.113 5.757 0.257 5 0 "[ . 1 . 2]" 1
908 1 52 TYR HB2 1 111 LYS HG3 . . 5.500 4.387 4.090 4.690 . 0 0 "[ . 1 . 2]" 1
909 1 52 TYR HB2 1 112 SER H . . 4.680 3.264 2.619 3.865 . 0 0 "[ . 1 . 2]" 1
910 1 52 TYR HB3 1 53 GLY H . . 3.900 3.538 3.229 3.692 . 0 0 "[ . 1 . 2]" 1
911 1 52 TYR HB3 1 106 LEU QD . . 3.560 2.019 1.866 2.167 . 0 0 "[ . 1 . 2]" 1
912 1 52 TYR HB3 1 106 LEU HG . . 3.770 4.029 3.763 4.368 0.598 4 3 "[ +* 1 . -2]" 1
913 1 52 TYR HB3 1 111 LYS HB2 . . 4.060 2.944 2.209 3.358 . 0 0 "[ . 1 . 2]" 1
914 1 52 TYR HB3 1 112 SER H . . 5.280 4.372 3.551 4.685 . 0 0 "[ . 1 . 2]" 1
915 1 52 TYR QD 1 53 GLY H . . 3.570 2.623 2.244 2.866 . 0 0 "[ . 1 . 2]" 1
916 1 52 TYR QD 1 53 GLY QA . . 4.590 2.999 2.635 3.188 . 0 0 "[ . 1 . 2]" 1
917 1 52 TYR QD 1 54 LYS H . . 5.500 5.248 4.995 5.579 0.079 8 0 "[ . 1 . 2]" 1
918 1 52 TYR QD 1 106 LEU QD . . 3.670 3.333 3.082 3.539 . 0 0 "[ . 1 . 2]" 1
919 1 52 TYR QD 1 111 LYS HB2 . . 3.840 3.594 3.376 3.869 0.029 2 0 "[ . 1 . 2]" 1
920 1 52 TYR QD 1 111 LYS HD2 . . 5.160 3.852 3.440 4.388 . 0 0 "[ . 1 . 2]" 1
921 1 52 TYR QD 1 111 LYS HE3 . . 5.050 4.558 3.575 5.524 0.474 2 0 "[ . 1 . 2]" 1
922 1 52 TYR QD 1 112 SER H . . 4.110 3.198 2.783 3.620 . 0 0 "[ . 1 . 2]" 1
923 1 52 TYR QE 1 53 GLY H . . 4.980 4.859 4.501 5.047 0.067 3 0 "[ . 1 . 2]" 1
924 1 52 TYR QE 1 111 LYS HD2 . . 3.960 3.093 2.647 3.549 . 0 0 "[ . 1 . 2]" 1
925 1 52 TYR QE 1 111 LYS HE2 . . 4.350 4.226 3.458 4.438 0.088 8 0 "[ . 1 . 2]" 1
926 1 52 TYR QE 1 111 LYS HE3 . . 4.410 3.299 2.357 4.468 0.058 5 0 "[ . 1 . 2]" 1
927 1 52 TYR QE 1 111 LYS HG3 . . 4.140 3.204 2.992 3.683 . 0 0 "[ . 1 . 2]" 1
928 1 53 GLY H 1 54 LYS H . . 3.880 3.028 2.667 3.586 . 0 0 "[ . 1 . 2]" 1
929 1 53 GLY H 1 106 LEU QD . . 4.870 3.336 2.904 3.567 . 0 0 "[ . 1 . 2]" 1
930 1 53 GLY H 1 111 LYS HB2 . . 5.500 5.086 4.656 5.555 0.055 5 0 "[ . 1 . 2]" 1
931 1 53 GLY H 1 112 SER H . . 5.270 4.076 3.658 4.984 . 0 0 "[ . 1 . 2]" 1
932 1 53 GLY H 1 113 ARG HA . . 3.480 2.575 1.960 3.107 . 0 0 "[ . 1 . 2]" 1
933 1 53 GLY H 1 113 ARG QG . . 5.500 4.511 3.799 5.178 . 0 0 "[ . 1 . 2]" 1
934 1 53 GLY QA 1 113 ARG HA . . 4.410 3.531 2.824 4.052 . 0 0 "[ . 1 . 2]" 1
935 1 53 GLY QA 1 115 PRO HA . . 4.020 2.733 2.028 3.253 . 0 0 "[ . 1 . 2]" 1
936 1 53 GLY QA 1 115 PRO HB3 . . 4.780 3.908 3.087 4.569 . 0 0 "[ . 1 . 2]" 1
937 1 54 LYS H 1 54 LYS HB2 . . 3.700 3.119 2.313 4.135 0.435 16 0 "[ . 1 . 2]" 1
938 1 54 LYS H 1 54 LYS HB3 . . 4.180 3.583 2.985 3.873 . 0 0 "[ . 1 . 2]" 1
939 1 54 LYS H 1 55 LEU H . . 3.730 2.268 1.824 3.095 . 0 0 "[ . 1 . 2]" 1
940 1 54 LYS H 1 113 ARG HA . . 3.710 2.865 2.045 3.671 . 0 0 "[ . 1 . 2]" 1
941 1 54 LYS HA 1 54 LYS HD2 . . 4.120 3.388 2.116 4.194 0.074 5 0 "[ . 1 . 2]" 1
942 1 54 LYS HA 1 54 LYS HD3 . . 3.610 3.531 2.160 4.196 0.586 9 6 "[ . * +1 * -* * 2]" 1
943 1 54 LYS HA 1 54 LYS QE . . 5.330 4.525 1.928 5.269 . 0 0 "[ . 1 . 2]" 1
944 1 54 LYS HA 1 57 VAL H . . 4.690 3.610 2.869 4.297 . 0 0 "[ . 1 . 2]" 1
945 1 54 LYS HA 1 57 VAL HB . . 4.120 3.748 2.520 4.197 0.077 7 0 "[ . 1 . 2]" 1
946 1 54 LYS HA 1 57 VAL QG . . 4.400 3.124 1.960 4.293 . 0 0 "[ . 1 . 2]" 1
947 1 54 LYS HB2 1 55 LEU H . . 5.050 4.274 3.585 4.672 . 0 0 "[ . 1 . 2]" 1
948 1 54 LYS HB3 1 57 VAL H . . 5.070 4.599 3.569 5.488 0.418 13 0 "[ . 1 . 2]" 1
949 1 54 LYS HB3 1 57 VAL QG . . 4.830 2.948 2.165 4.266 . 0 0 "[ . 1 . 2]" 1
950 1 55 LEU H 1 55 LEU HB2 . . 3.250 2.326 2.044 2.786 . 0 0 "[ . 1 . 2]" 1
951 1 55 LEU H 1 55 LEU HB3 . . 3.450 2.851 2.448 3.480 0.030 15 0 "[ . 1 . 2]" 1
952 1 55 LEU H 1 55 LEU QD . . 4.370 3.597 2.357 3.882 . 0 0 "[ . 1 . 2]" 1
953 1 55 LEU H 1 113 ARG HA . . 4.420 3.804 3.535 4.131 . 0 0 "[ . 1 . 2]" 1
954 1 55 LEU H 1 113 ARG QB . . 5.050 3.244 2.428 3.604 . 0 0 "[ . 1 . 2]" 1
955 1 55 LEU H 1 114 ASP HA . . 4.260 3.528 3.160 3.925 . 0 0 "[ . 1 . 2]" 1
956 1 55 LEU H 1 115 PRO HD3 . . 4.450 3.895 3.400 4.415 . 0 0 "[ . 1 . 2]" 1
957 1 55 LEU HA 1 55 LEU QD . . 2.940 2.117 2.037 2.397 . 0 0 "[ . 1 . 2]" 1
958 1 55 LEU HA 1 55 LEU HG . . 4.140 3.092 2.355 3.727 . 0 0 "[ . 1 . 2]" 1
959 1 55 LEU HA 1 57 VAL H . . 4.800 4.074 3.417 4.481 . 0 0 "[ . 1 . 2]" 1
960 1 55 LEU HB2 1 56 ASN H . . 4.890 3.817 3.128 4.361 . 0 0 "[ . 1 . 2]" 1
961 1 55 LEU HB2 1 56 ASN QD . . 5.210 4.186 2.719 5.560 0.350 1 0 "[ . 1 . 2]" 1
962 1 55 LEU HB2 1 114 ASP HA . . 3.660 2.737 2.154 3.209 . 0 0 "[ . 1 . 2]" 1
963 1 55 LEU HB2 1 114 ASP HB3 . . 5.020 5.207 4.798 5.718 0.698 4 2 "[ +. 1 -. 2]" 1
964 1 55 LEU HB2 1 115 PRO HD2 . . 5.500 4.946 4.173 5.497 . 0 0 "[ . 1 . 2]" 1
965 1 55 LEU HB2 1 115 PRO HD3 . . 4.990 4.121 3.013 4.861 . 0 0 "[ . 1 . 2]" 1
966 1 55 LEU HB3 1 56 ASN H . . 5.050 3.107 2.434 3.941 . 0 0 "[ . 1 . 2]" 1
967 1 55 LEU HB3 1 113 ARG QB . . 5.190 3.797 3.429 4.698 . 0 0 "[ . 1 . 2]" 1
968 1 55 LEU HB3 1 114 ASP HA . . 3.800 2.842 2.292 3.868 0.068 15 0 "[ . 1 . 2]" 1
969 1 55 LEU HB3 1 115 PRO HD3 . . 4.430 3.597 2.560 4.497 0.067 2 0 "[ . 1 . 2]" 1
970 1 55 LEU QD 1 56 ASN QD . . 4.850 3.477 2.772 4.047 . 0 0 "[ . 1 . 2]" 1
971 1 55 LEU QD 1 113 ARG QB . . 3.710 2.166 1.884 2.591 . 0 0 "[ . 1 . 2]" 1
972 1 55 LEU QD 1 113 ARG QD . . 5.500 2.563 1.933 4.096 . 0 0 "[ . 1 . 2]" 1
973 1 55 LEU QD 1 113 ARG HE . . 3.970 3.741 2.885 4.025 0.055 5 0 "[ . 1 . 2]" 1
974 1 55 LEU QD 1 113 ARG QG . . 5.310 3.579 3.289 4.132 . 0 0 "[ . 1 . 2]" 1
975 1 55 LEU QD 1 114 ASP H . . 5.030 3.408 2.891 4.321 . 0 0 "[ . 1 . 2]" 1
976 1 55 LEU QD 1 114 ASP HA . . 3.620 3.022 2.371 3.485 . 0 0 "[ . 1 . 2]" 1
977 1 55 LEU QD 1 115 PRO HD3 . . 4.960 4.296 3.426 4.842 . 0 0 "[ . 1 . 2]" 1
978 1 56 ASN H 1 56 ASN HB3 . . 4.070 3.575 3.173 3.813 . 0 0 "[ . 1 . 2]" 1
979 1 56 ASN H 1 56 ASN QD . . 5.390 3.068 2.170 3.774 . 0 0 "[ . 1 . 2]" 1
980 1 56 ASN H 1 57 VAL H . . 3.670 2.499 1.940 2.917 . 0 0 "[ . 1 . 2]" 1
981 1 56 ASN H 1 57 VAL HA . . 5.020 4.811 4.392 5.191 0.171 11 0 "[ . 1 . 2]" 1
982 1 56 ASN H 1 57 VAL HB . . 4.740 4.578 3.775 4.810 0.070 2 0 "[ . 1 . 2]" 1
983 1 56 ASN HA 1 56 ASN QD . . 4.410 3.390 2.297 4.138 . 0 0 "[ . 1 . 2]" 1
984 1 56 ASN HB2 1 57 VAL H . . 5.250 3.808 2.970 4.540 . 0 0 "[ . 1 . 2]" 1
985 1 56 ASN HB3 1 57 VAL H . . 4.880 4.351 3.468 4.721 . 0 0 "[ . 1 . 2]" 1
986 1 56 ASN QD 1 114 ASP HA . . 4.960 3.552 2.911 4.463 . 0 0 "[ . 1 . 2]" 1
987 1 56 ASN QD 1 115 PRO HD2 . . 5.400 2.972 2.427 3.577 . 0 0 "[ . 1 . 2]" 1
988 1 56 ASN QD 1 115 PRO HD3 . . 5.500 2.463 1.905 3.040 . 0 0 "[ . 1 . 2]" 1
989 1 56 ASN QD 1 115 PRO HG2 . . 5.260 3.876 3.482 4.650 . 0 0 "[ . 1 . 2]" 1
990 1 56 ASN QD 1 115 PRO HG3 . . 4.890 2.883 1.883 4.007 . 0 0 "[ . 1 . 2]" 1
991 1 57 VAL H 1 57 VAL HB . . 3.160 2.447 2.283 2.725 . 0 0 "[ . 1 . 2]" 1
992 1 57 VAL H 1 57 VAL QG . . 3.240 2.095 1.837 2.365 . 0 0 "[ . 1 . 2]" 1
993 1 57 VAL H 1 58 GLY H . . 4.660 4.644 4.554 4.715 0.055 13 0 "[ . 1 . 2]" 1
994 1 57 VAL HA 1 57 VAL QG . . 3.070 2.280 2.136 2.498 . 0 0 "[ . 1 . 2]" 1
995 1 57 VAL HA 1 58 GLY H . . 2.710 2.243 2.105 2.398 . 0 0 "[ . 1 . 2]" 1
996 1 57 VAL HA 1 58 GLY HA2 . . 4.340 4.411 4.380 4.487 0.147 13 0 "[ . 1 . 2]" 1
997 1 57 VAL HA 1 58 GLY HA3 . . 4.500 4.381 4.070 4.536 0.036 9 0 "[ . 1 . 2]" 1
998 1 57 VAL HA 1 75 ASP H . . 5.500 5.164 4.637 5.577 0.077 7 0 "[ . 1 . 2]" 1
999 1 57 VAL HB 1 58 GLY H . . 4.320 4.034 3.835 4.276 . 0 0 "[ . 1 . 2]" 1
1000 1 57 VAL QG 1 58 GLY H . . 3.160 2.302 1.957 2.680 . 0 0 "[ . 1 . 2]" 1
1001 1 57 VAL QG 1 58 GLY HA2 . . 4.290 3.124 2.811 3.412 . 0 0 "[ . 1 . 2]" 1
1002 1 57 VAL QG 1 58 GLY HA3 . . 4.100 3.871 3.591 4.106 0.006 15 0 "[ . 1 . 2]" 1
1003 1 57 VAL QG 1 74 PHE HA . . 4.460 3.893 3.160 4.452 . 0 0 "[ . 1 . 2]" 1
1004 1 57 VAL QG 1 74 PHE HB2 . . 4.600 3.971 2.912 4.562 . 0 0 "[ . 1 . 2]" 1
1005 1 57 VAL QG 1 74 PHE HB3 . . 3.380 2.788 2.108 3.397 0.017 5 0 "[ . 1 . 2]" 1
1006 1 57 VAL QG 1 74 PHE QD . . 4.540 3.199 2.169 4.172 . 0 0 "[ . 1 . 2]" 1
1007 1 57 VAL QG 1 75 ASP H . . 3.690 3.220 2.648 3.655 . 0 0 "[ . 1 . 2]" 1
1008 1 57 VAL QG 1 76 ASP H . . 3.770 2.611 1.728 3.360 . 0 0 "[ . 1 . 2]" 1
1009 1 57 VAL QG 1 76 ASP HB2 . . 3.660 2.608 1.866 3.804 0.144 5 0 "[ . 1 . 2]" 1
1010 1 57 VAL QG 1 76 ASP HB3 . . 4.130 2.631 2.049 3.770 . 0 0 "[ . 1 . 2]" 1
1011 1 57 VAL QG 1 77 GLY H . . 5.500 4.543 3.989 4.960 . 0 0 "[ . 1 . 2]" 1
1012 1 58 GLY H 1 59 LEU H . . 5.500 4.030 2.233 4.461 . 0 0 "[ . 1 . 2]" 1
1013 1 58 GLY H 1 74 PHE HA . . 5.500 5.235 4.387 5.588 0.088 11 0 "[ . 1 . 2]" 1
1014 1 58 GLY H 1 75 ASP H . . 4.220 3.562 2.983 4.113 . 0 0 "[ . 1 . 2]" 1
1015 1 58 GLY H 1 76 ASP H . . 5.490 4.115 3.038 5.472 . 0 0 "[ . 1 . 2]" 1
1016 1 58 GLY HA2 1 59 LEU H . . 3.360 2.554 2.126 2.950 . 0 0 "[ . 1 . 2]" 1
1017 1 58 GLY HA3 1 59 LEU H . . 3.380 2.751 2.353 3.440 0.060 11 0 "[ . 1 . 2]" 1
1018 1 59 LEU H 1 59 LEU QB . . 3.550 2.290 2.040 2.702 . 0 0 "[ . 1 . 2]" 1
1019 1 59 LEU H 1 59 LEU QD . . 4.600 3.461 2.314 4.050 . 0 0 "[ . 1 . 2]" 1
1020 1 59 LEU H 1 59 LEU HG . . 4.380 4.339 3.741 4.459 0.079 10 0 "[ . 1 . 2]" 1
1021 1 59 LEU HA 1 59 LEU QD . . 3.620 2.256 1.892 2.887 . 0 0 "[ . 1 . 2]" 1
1022 1 59 LEU HA 1 59 LEU HG . . 4.110 3.087 1.986 3.715 . 0 0 "[ . 1 . 2]" 1
1023 1 59 LEU HA 1 60 VAL H . . 2.810 2.208 2.010 2.443 . 0 0 "[ . 1 . 2]" 1
1024 1 59 LEU HA 1 61 GLY H . . 4.090 3.972 3.731 4.063 . 0 0 "[ . 1 . 2]" 1
1025 1 59 LEU HA 1 74 PHE HA . . 3.290 2.553 2.175 2.952 . 0 0 "[ . 1 . 2]" 1
1026 1 59 LEU HA 1 75 ASP QB . . 5.370 3.923 2.873 5.092 . 0 0 "[ . 1 . 2]" 1
1027 1 59 LEU QB 1 59 LEU QD . . 2.850 2.023 1.889 2.108 . 0 0 "[ . 1 . 2]" 1
1028 1 59 LEU QB 1 60 VAL H . . 4.080 3.207 2.823 3.627 . 0 0 "[ . 1 . 2]" 1
1029 1 59 LEU QB 1 60 VAL MG2 . . 5.450 4.444 4.145 4.734 . 0 0 "[ . 1 . 2]" 1
1030 1 59 LEU QB 1 61 GLY H . . 4.280 4.104 3.918 4.161 . 0 0 "[ . 1 . 2]" 1
1031 1 59 LEU QB 1 74 PHE HA . . 5.040 4.555 3.959 5.023 . 0 0 "[ . 1 . 2]" 1
1032 1 59 LEU QD 1 60 VAL H . . 4.030 1.982 1.714 2.224 . 0 0 "[ . 1 . 2]" 1
1033 1 59 LEU QD 1 60 VAL MG2 . . 4.080 3.163 2.744 3.562 . 0 0 "[ . 1 . 2]" 1
1034 1 59 LEU QD 1 61 GLY H . . 4.220 2.126 1.940 2.404 . 0 0 "[ . 1 . 2]" 1
1035 1 59 LEU QD 1 73 SER H . . 4.160 2.721 2.319 3.267 . 0 0 "[ . 1 . 2]" 1
1036 1 59 LEU QD 1 74 PHE HA . . 4.410 2.814 2.105 3.288 . 0 0 "[ . 1 . 2]" 1
1037 1 59 LEU QD 1 74 PHE QD . . 3.990 2.322 2.036 3.009 . 0 0 "[ . 1 . 2]" 1
1038 1 59 LEU QD 1 74 PHE QE . . 4.760 2.566 2.177 3.482 . 0 0 "[ . 1 . 2]" 1
1039 1 59 LEU QD 1 75 ASP H . . 4.450 3.970 3.193 4.153 . 0 0 "[ . 1 . 2]" 1
1040 1 60 VAL H 1 60 VAL HB . . 3.940 3.587 3.476 3.752 . 0 0 "[ . 1 . 2]" 1
1041 1 60 VAL H 1 60 VAL MG1 . . 3.760 3.270 3.028 3.533 . 0 0 "[ . 1 . 2]" 1
1042 1 60 VAL H 1 60 VAL MG2 . . 2.960 2.029 1.785 2.298 . 0 0 "[ . 1 . 2]" 1
1043 1 60 VAL H 1 61 GLY H . . 2.990 1.983 1.747 2.283 . 0 0 "[ . 1 . 2]" 1
1044 1 60 VAL H 1 73 SER H . . 4.890 4.462 4.162 4.797 . 0 0 "[ . 1 . 2]" 1
1045 1 60 VAL H 1 73 SER HB2 . . 4.910 3.710 3.194 4.029 . 0 0 "[ . 1 . 2]" 1
1046 1 60 VAL H 1 73 SER HB3 . . 4.870 4.588 4.103 4.861 . 0 0 "[ . 1 . 2]" 1
1047 1 60 VAL H 1 74 PHE HA . . 3.430 3.283 2.924 3.494 0.064 17 0 "[ . 1 . 2]" 1
1048 1 60 VAL H 1 74 PHE QD . . 5.500 5.145 4.425 5.567 0.067 19 0 "[ . 1 . 2]" 1
1049 1 60 VAL HA 1 60 VAL MG1 . . 3.140 2.169 2.079 2.261 . 0 0 "[ . 1 . 2]" 1
1050 1 60 VAL HA 1 60 VAL MG2 . . 3.100 3.199 3.174 3.221 0.121 5 0 "[ . 1 . 2]" 1
1051 1 60 VAL HB 1 61 GLY H . . 3.490 3.529 3.325 3.578 0.088 10 0 "[ . 1 . 2]" 1
1052 1 60 VAL HB 1 61 GLY HA3 . . 4.840 4.296 4.060 4.483 . 0 0 "[ . 1 . 2]" 1
1053 1 60 VAL HB 1 73 SER HB2 . . 4.140 4.069 3.697 4.202 0.062 6 0 "[ . 1 . 2]" 1
1054 1 60 VAL HB 1 73 SER HB3 . . 4.190 4.207 3.850 4.268 0.078 5 0 "[ . 1 . 2]" 1
1055 1 60 VAL MG1 1 61 GLY H . . 4.190 4.241 4.142 4.285 0.095 1 0 "[ . 1 . 2]" 1
1056 1 60 VAL MG1 1 73 SER HB2 . . 5.110 5.014 4.779 5.191 0.081 20 0 "[ . 1 . 2]" 1
1057 1 60 VAL MG1 1 73 SER HB3 . . 5.120 4.912 4.576 5.123 0.003 8 0 "[ . 1 . 2]" 1
1058 1 60 VAL MG1 1 74 PHE HA . . 5.500 4.517 4.206 4.593 . 0 0 "[ . 1 . 2]" 1
1059 1 60 VAL MG1 1 75 ASP H . . 4.140 3.522 3.279 3.797 . 0 0 "[ . 1 . 2]" 1
1060 1 60 VAL MG1 1 75 ASP HA . . 3.830 3.015 2.261 3.706 . 0 0 "[ . 1 . 2]" 1
1061 1 60 VAL MG1 1 75 ASP QB . . 3.410 2.110 1.936 2.274 . 0 0 "[ . 1 . 2]" 1
1062 1 60 VAL MG2 1 61 GLY H . . 3.490 2.422 2.168 2.732 . 0 0 "[ . 1 . 2]" 1
1063 1 60 VAL MG2 1 73 SER H . . 4.350 4.046 3.777 4.304 . 0 0 "[ . 1 . 2]" 1
1064 1 60 VAL MG2 1 73 SER HB2 . . 3.620 2.316 2.115 2.594 . 0 0 "[ . 1 . 2]" 1
1065 1 60 VAL MG2 1 73 SER HB3 . . 3.430 2.356 2.068 2.556 . 0 0 "[ . 1 . 2]" 1
1066 1 60 VAL MG2 1 74 PHE H . . 5.500 3.405 2.804 3.766 . 0 0 "[ . 1 . 2]" 1
1067 1 60 VAL MG2 1 74 PHE HA . . 3.650 2.748 2.392 3.053 . 0 0 "[ . 1 . 2]" 1
1068 1 60 VAL MG2 1 75 ASP H . . 4.550 2.665 2.226 3.404 . 0 0 "[ . 1 . 2]" 1
1069 1 60 VAL MG2 1 75 ASP HA . . 3.130 2.801 2.471 3.227 0.097 5 0 "[ . 1 . 2]" 1
1070 1 60 VAL MG2 1 75 ASP QB . . 3.250 2.889 2.504 3.197 . 0 0 "[ . 1 . 2]" 1
1071 1 60 VAL MG2 1 76 ASP H . . 5.500 4.577 4.190 5.338 . 0 0 "[ . 1 . 2]" 1
1072 1 61 GLY H 1 62 VAL H . . 4.500 4.391 4.311 4.445 . 0 0 "[ . 1 . 2]" 1
1073 1 61 GLY H 1 73 SER H . . 3.740 3.544 3.302 3.885 0.145 18 0 "[ . 1 . 2]" 1
1074 1 61 GLY H 1 73 SER HB2 . . 3.670 2.457 2.124 2.705 . 0 0 "[ . 1 . 2]" 1
1075 1 61 GLY H 1 73 SER HB3 . . 3.910 3.883 3.553 3.978 0.068 18 0 "[ . 1 . 2]" 1
1076 1 61 GLY H 1 74 PHE HA . . 4.900 4.610 4.171 4.903 0.003 4 0 "[ . 1 . 2]" 1
1077 1 61 GLY HA2 1 62 VAL H . . 2.930 2.377 2.209 2.519 . 0 0 "[ . 1 . 2]" 1
1078 1 61 GLY HA2 1 62 VAL HA . . 4.570 4.532 4.388 4.626 0.056 3 0 "[ . 1 . 2]" 1
1079 1 61 GLY HA2 1 62 VAL HB . . 4.870 4.519 4.066 4.955 0.085 11 0 "[ . 1 . 2]" 1
1080 1 61 GLY HA2 1 73 SER H . . 5.500 5.234 4.954 5.532 0.032 3 0 "[ . 1 . 2]" 1
1081 1 61 GLY HA2 1 73 SER HB2 . . 4.560 4.312 3.810 4.609 0.049 9 0 "[ . 1 . 2]" 1
1082 1 61 GLY HA3 1 62 VAL H . . 3.010 2.764 2.258 3.053 0.043 17 0 "[ . 1 . 2]" 1
1083 1 61 GLY HA3 1 73 SER HB2 . . 4.200 3.211 2.350 3.772 . 0 0 "[ . 1 . 2]" 1
1084 1 62 VAL H 1 62 VAL HB . . 3.450 3.269 2.740 3.528 0.078 14 0 "[ . 1 . 2]" 1
1085 1 62 VAL H 1 62 VAL QG . . 3.750 2.723 2.284 3.145 . 0 0 "[ . 1 . 2]" 1
1086 1 62 VAL H 1 63 GLU H . . 4.860 3.965 3.572 4.214 . 0 0 "[ . 1 . 2]" 1
1087 1 62 VAL H 1 63 GLU HG2 . . 5.500 4.296 3.088 5.195 . 0 0 "[ . 1 . 2]" 1
1088 1 62 VAL HA 1 63 GLU H . . 2.900 2.178 2.042 2.310 . 0 0 "[ . 1 . 2]" 1
1089 1 62 VAL HA 1 72 LEU QD . . 4.280 3.591 2.883 4.239 . 0 0 "[ . 1 . 2]" 1
1090 1 62 VAL HB 1 63 GLU H . . 4.090 4.073 3.402 4.178 0.088 17 0 "[ . 1 . 2]" 1
1091 1 62 VAL HB 1 72 LEU QD . . 4.150 3.279 2.064 4.196 0.046 8 0 "[ . 1 . 2]" 1
1092 1 62 VAL QG 1 63 GLU H . . 3.880 2.881 2.333 3.554 . 0 0 "[ . 1 . 2]" 1
1093 1 62 VAL QG 1 63 GLU HA . . 4.480 3.695 3.297 4.245 . 0 0 "[ . 1 . 2]" 1
1094 1 62 VAL QG 1 72 LEU QD . . 2.920 2.008 1.676 2.667 . 0 0 "[ . 1 . 2]" 1
1095 1 63 GLU H 1 63 GLU HB2 . . 4.000 3.087 2.576 4.036 0.036 4 0 "[ . 1 . 2]" 1
1096 1 63 GLU H 1 63 GLU HB3 . . 3.870 3.784 3.335 4.026 0.156 1 0 "[ . 1 . 2]" 1
1097 1 63 GLU H 1 63 GLU HG2 . . 4.080 4.011 3.229 4.156 0.076 8 0 "[ . 1 . 2]" 1
1098 1 63 GLU H 1 63 GLU HG3 . . 4.010 3.460 2.394 4.153 0.143 10 0 "[ . 1 . 2]" 1
1099 1 63 GLU H 1 64 PRO QD . . 4.700 4.330 4.250 4.406 . 0 0 "[ . 1 . 2]" 1
1100 1 63 GLU H 1 70 LEU HA . . 5.130 4.977 4.212 5.390 0.260 6 0 "[ . 1 . 2]" 1
1101 1 63 GLU H 1 70 LEU QD . . 4.780 2.590 2.125 3.014 . 0 0 "[ . 1 . 2]" 1
1102 1 63 GLU H 1 71 LYS H . . 3.760 3.370 2.765 3.674 . 0 0 "[ . 1 . 2]" 1
1103 1 63 GLU H 1 71 LYS QB . . 4.310 2.924 2.155 3.826 . 0 0 "[ . 1 . 2]" 1
1104 1 63 GLU H 1 72 LEU QD . . 5.420 4.731 4.223 5.143 . 0 0 "[ . 1 . 2]" 1
1105 1 63 GLU HA 1 63 GLU HG2 . . 4.150 2.680 2.068 4.166 0.016 2 0 "[ . 1 . 2]" 1
1106 1 63 GLU HA 1 63 GLU HG3 . . 3.630 3.347 3.116 3.694 0.064 17 0 "[ . 1 . 2]" 1
1107 1 63 GLU HA 1 64 PRO QD . . 2.710 2.136 2.060 2.266 . 0 0 "[ . 1 . 2]" 1
1108 1 63 GLU HA 1 64 PRO QG . . 4.360 4.092 4.004 4.190 . 0 0 "[ . 1 . 2]" 1
1109 1 63 GLU HB2 1 64 PRO QD . . 3.400 3.264 2.002 3.576 0.176 14 0 "[ . 1 . 2]" 1
1110 1 63 GLU HB2 1 71 LYS H . . 5.080 4.874 4.228 5.728 0.648 20 2 "[ -. 1 . +]" 1
1111 1 63 GLU HB2 1 71 LYS QB . . 4.910 3.553 2.387 4.579 . 0 0 "[ . 1 . 2]" 1
1112 1 63 GLU HB3 1 64 PRO QD . . 3.490 2.355 2.038 3.380 . 0 0 "[ . 1 . 2]" 1
1113 1 63 GLU HG2 1 64 PRO QD . . 4.460 3.500 2.610 4.545 0.085 20 0 "[ . 1 . 2]" 1
1114 1 63 GLU HG3 1 64 PRO QD . . 4.390 4.280 3.826 4.476 0.086 9 0 "[ . 1 . 2]" 1
1115 1 64 PRO HA 1 71 LYS QB . . 4.990 4.620 4.182 5.425 0.435 8 0 "[ . 1 . 2]" 1
1116 1 64 PRO QD 1 65 ALA H . . 5.380 4.893 4.479 5.019 . 0 0 "[ . 1 . 2]" 1
1117 1 64 PRO QG 1 70 LEU QD . . 5.420 4.428 3.930 5.077 . 0 0 "[ . 1 . 2]" 1
1118 1 65 ALA H 1 65 ALA MB . . 3.040 2.383 2.219 2.745 . 0 0 "[ . 1 . 2]" 1
1119 1 65 ALA H 1 69 ALA H . . 4.480 4.027 2.980 4.490 0.010 4 0 "[ . 1 . 2]" 1
1120 1 65 ALA H 1 70 LEU HA . . 3.580 2.205 1.797 2.779 . 0 0 "[ . 1 . 2]" 1
1121 1 65 ALA H 1 70 LEU HB2 . . 4.830 4.536 4.140 4.831 0.001 16 0 "[ . 1 . 2]" 1
1122 1 65 ALA H 1 70 LEU QD . . 3.880 3.443 2.764 3.885 0.005 17 0 "[ . 1 . 2]" 1
1123 1 65 ALA H 1 71 LYS H . . 4.280 3.008 2.214 4.272 . 0 0 "[ . 1 . 2]" 1
1124 1 65 ALA HA 1 66 GLY H . . 2.750 2.550 2.084 2.839 0.089 6 0 "[ . 1 . 2]" 1
1125 1 65 ALA HA 1 66 GLY HA2 . . 4.600 4.458 4.296 4.659 0.059 1 0 "[ . 1 . 2]" 1
1126 1 65 ALA HA 1 66 GLY HA3 . . 4.780 4.495 4.303 4.820 0.040 18 0 "[ . 1 . 2]" 1
1127 1 65 ALA MB 1 66 GLY H . . 4.140 3.434 2.024 3.780 . 0 0 "[ . 1 . 2]" 1
1128 1 65 ALA MB 1 66 GLY HA2 . . 5.300 4.832 4.090 5.080 . 0 0 "[ . 1 . 2]" 1
1129 1 65 ALA MB 1 66 GLY HA3 . . 5.500 4.227 3.738 4.448 . 0 0 "[ . 1 . 2]" 1
1130 1 65 ALA MB 1 71 LYS H . . 3.850 2.812 2.377 3.387 . 0 0 "[ . 1 . 2]" 1
1131 1 65 ALA MB 1 71 LYS HA . . 4.630 3.217 2.165 3.910 . 0 0 "[ . 1 . 2]" 1
1132 1 65 ALA MB 1 71 LYS QB . . 3.240 2.231 1.960 3.164 . 0 0 "[ . 1 . 2]" 1
1133 1 65 ALA MB 1 71 LYS QE . . 5.120 4.216 2.958 5.210 0.090 18 0 "[ . 1 . 2]" 1
1134 1 66 GLY H 1 67 GLN H . . 4.600 4.090 3.134 4.572 . 0 0 "[ . 1 . 2]" 1
1135 1 66 GLY H 1 68 TYR H . . 4.990 4.878 4.383 5.004 0.014 2 0 "[ . 1 . 2]" 1
1136 1 66 GLY H 1 69 ALA H . . 5.500 4.992 4.522 5.368 . 0 0 "[ . 1 . 2]" 1
1137 1 66 GLY HA2 1 67 GLN HE21 . . 5.500 5.089 3.572 5.579 0.079 16 0 "[ . 1 . 2]" 1
1138 1 66 GLY HA2 1 68 TYR H . . 4.980 4.706 4.302 4.989 0.009 1 0 "[ . 1 . 2]" 1
1139 1 66 GLY HA3 1 67 GLN H . . 3.390 2.368 2.126 3.161 . 0 0 "[ . 1 . 2]" 1
1140 1 66 GLY HA3 1 67 GLN QB . . 5.080 4.478 4.021 4.829 . 0 0 "[ . 1 . 2]" 1
1141 1 66 GLY HA3 1 67 GLN QG . . 4.640 3.822 3.121 4.557 . 0 0 "[ . 1 . 2]" 1
1142 1 66 GLY HA3 1 68 TYR H . . 4.130 3.497 3.097 3.938 . 0 0 "[ . 1 . 2]" 1
1143 1 66 GLY HA3 1 68 TYR QD . . 4.850 4.380 3.659 4.893 0.043 4 0 "[ . 1 . 2]" 1
1144 1 66 GLY HA3 1 68 TYR QE . . 4.720 3.660 2.930 4.451 . 0 0 "[ . 1 . 2]" 1
1145 1 67 GLN H 1 67 GLN QB . . 3.640 2.849 2.398 3.415 . 0 0 "[ . 1 . 2]" 1
1146 1 67 GLN H 1 67 GLN QG . . 3.670 2.822 2.354 3.278 . 0 0 "[ . 1 . 2]" 1
1147 1 67 GLN H 1 68 TYR H . . 3.340 2.099 1.605 2.574 . 0 0 "[ . 1 . 2]" 1
1148 1 67 GLN H 1 68 TYR HB2 . . 5.500 5.350 4.723 5.950 0.450 7 0 "[ . 1 . 2]" 1
1149 1 67 GLN H 1 68 TYR QD . . 4.510 3.239 2.533 4.513 0.003 9 0 "[ . 1 . 2]" 1
1150 1 67 GLN H 1 68 TYR QE . . 5.040 3.456 2.752 5.008 . 0 0 "[ . 1 . 2]" 1
1151 1 67 GLN H 1 69 ALA H . . 4.970 3.611 2.854 4.259 . 0 0 "[ . 1 . 2]" 1
1152 1 67 GLN HA 1 67 GLN HE21 . . 5.500 4.904 2.268 5.481 . 0 0 "[ . 1 . 2]" 1
1153 1 67 GLN HA 1 67 GLN QG . . 3.200 2.643 2.376 3.301 0.101 13 0 "[ . 1 . 2]" 1
1154 1 67 GLN HA 1 68 TYR QD . . 5.160 4.507 4.213 5.066 . 0 0 "[ . 1 . 2]" 1
1155 1 67 GLN HA 1 85 TRP HE1 . . 5.070 3.561 2.871 4.292 . 0 0 "[ . 1 . 2]" 1
1156 1 67 GLN QB 1 68 TYR H . . 4.160 3.624 3.332 3.853 . 0 0 "[ . 1 . 2]" 1
1157 1 67 GLN QB 1 68 TYR QD . . 4.160 2.633 2.115 3.872 . 0 0 "[ . 1 . 2]" 1
1158 1 67 GLN QB 1 68 TYR QE . . 3.980 3.444 2.974 3.942 . 0 0 "[ . 1 . 2]" 1
1159 1 67 GLN QG 1 68 TYR H . . 4.820 4.265 3.352 4.446 . 0 0 "[ . 1 . 2]" 1
1160 1 68 TYR H 1 68 TYR HB2 . . 3.890 3.779 3.442 3.897 0.007 14 0 "[ . 1 . 2]" 1
1161 1 68 TYR H 1 68 TYR HB3 . . 3.820 3.549 3.337 3.720 . 0 0 "[ . 1 . 2]" 1
1162 1 68 TYR H 1 68 TYR QD . . 3.260 3.063 2.702 3.307 0.047 17 0 "[ . 1 . 2]" 1
1163 1 68 TYR H 1 68 TYR QE . . 4.460 4.139 3.797 4.345 . 0 0 "[ . 1 . 2]" 1
1164 1 68 TYR H 1 69 ALA H . . 3.020 1.934 1.692 2.237 . 0 0 "[ . 1 . 2]" 1
1165 1 68 TYR H 1 69 ALA MB . . 4.620 3.741 3.357 4.082 . 0 0 "[ . 1 . 2]" 1
1166 1 68 TYR H 1 85 TRP HE1 . . 5.160 3.706 3.334 4.206 . 0 0 "[ . 1 . 2]" 1
1167 1 68 TYR HA 1 85 TRP HD1 . . 3.060 2.203 1.934 2.494 . 0 0 "[ . 1 . 2]" 1
1168 1 68 TYR HA 1 85 TRP HE1 . . 3.390 2.825 2.338 3.266 . 0 0 "[ . 1 . 2]" 1
1169 1 68 TYR HB2 1 69 ALA H . . 4.580 4.132 3.589 4.458 . 0 0 "[ . 1 . 2]" 1
1170 1 68 TYR HB2 1 69 ALA MB . . 4.540 3.858 3.454 4.247 . 0 0 "[ . 1 . 2]" 1
1171 1 68 TYR HB2 1 84 THR MG . . 4.940 3.157 2.691 3.502 . 0 0 "[ . 1 . 2]" 1
1172 1 68 TYR HB2 1 85 TRP HD1 . . 5.170 4.291 3.848 4.744 . 0 0 "[ . 1 . 2]" 1
1173 1 68 TYR HB2 1 85 TRP HE1 . . 5.500 5.300 4.882 5.576 0.076 6 0 "[ . 1 . 2]" 1
1174 1 68 TYR HB3 1 69 ALA H . . 4.990 4.584 4.295 4.711 . 0 0 "[ . 1 . 2]" 1
1175 1 68 TYR HB3 1 69 ALA MB . . 5.040 5.015 4.646 5.120 0.080 4 0 "[ . 1 . 2]" 1
1176 1 68 TYR HB3 1 84 THR MG . . 5.060 4.520 4.008 4.771 . 0 0 "[ . 1 . 2]" 1
1177 1 68 TYR HB3 1 85 TRP HD1 . . 4.840 4.109 3.671 4.618 . 0 0 "[ . 1 . 2]" 1
1178 1 68 TYR HB3 1 85 TRP HE1 . . 5.120 4.871 4.386 5.113 . 0 0 "[ . 1 . 2]" 1
1179 1 68 TYR QD 1 69 ALA H . . 5.500 3.788 2.650 4.350 . 0 0 "[ . 1 . 2]" 1
1180 1 68 TYR QD 1 69 ALA MB . . 3.570 2.695 2.173 3.227 . 0 0 "[ . 1 . 2]" 1
1181 1 68 TYR QD 1 84 THR MG . . 3.940 3.645 2.986 4.024 0.084 16 0 "[ . 1 . 2]" 1
1182 1 68 TYR QE 1 69 ALA MB . . 4.020 3.697 3.045 4.097 0.077 9 0 "[ . 1 . 2]" 1
1183 1 69 ALA H 1 69 ALA MB . . 3.290 2.644 2.406 2.843 . 0 0 "[ . 1 . 2]" 1
1184 1 69 ALA H 1 70 LEU H . . 5.500 4.280 3.902 4.453 . 0 0 "[ . 1 . 2]" 1
1185 1 69 ALA H 1 70 LEU QD . . 5.500 5.506 4.954 6.020 0.520 2 1 "[ + . 1 . 2]" 1
1186 1 69 ALA H 1 85 TRP H . . 5.500 5.177 4.640 5.531 0.031 10 0 "[ . 1 . 2]" 1
1187 1 69 ALA H 1 85 TRP HD1 . . 5.050 4.752 4.005 5.104 0.054 4 0 "[ . 1 . 2]" 1
1188 1 69 ALA H 1 85 TRP HE1 . . 4.560 3.751 2.845 4.385 . 0 0 "[ . 1 . 2]" 1
1189 1 69 ALA HA 1 70 LEU H . . 3.140 2.426 1.990 2.722 . 0 0 "[ . 1 . 2]" 1
1190 1 69 ALA HA 1 84 THR HA . . 2.870 2.270 2.039 2.510 . 0 0 "[ . 1 . 2]" 1
1191 1 69 ALA HA 1 85 TRP H . . 3.770 3.443 2.716 3.795 0.025 4 0 "[ . 1 . 2]" 1
1192 1 69 ALA MB 1 70 LEU H . . 3.140 2.512 2.022 3.237 0.097 17 0 "[ . 1 . 2]" 1
1193 1 69 ALA MB 1 84 THR HA . . 3.180 2.719 2.116 3.240 0.060 4 0 "[ . 1 . 2]" 1
1194 1 69 ALA MB 1 84 THR MG . . 3.400 3.225 2.686 3.508 0.108 14 0 "[ . 1 . 2]" 1
1195 1 69 ALA MB 1 85 TRP H . . 4.290 4.399 3.710 4.815 0.525 13 2 "[ . - 1 + . 2]" 1
1196 1 70 LEU H 1 70 LEU HB2 . . 4.000 2.824 2.410 3.185 . 0 0 "[ . 1 . 2]" 1
1197 1 70 LEU H 1 70 LEU QB . . 3.920 2.450 2.121 2.715 . 0 0 "[ . 1 . 2]" 1
1198 1 70 LEU H 1 70 LEU QD . . 4.620 3.862 3.689 3.983 . 0 0 "[ . 1 . 2]" 1
1199 1 70 LEU H 1 71 LYS H . . 5.500 4.366 4.058 4.614 . 0 0 "[ . 1 . 2]" 1
1200 1 70 LEU H 1 83 PHE HB3 . . 5.210 3.923 3.423 4.385 . 0 0 "[ . 1 . 2]" 1
1201 1 70 LEU H 1 84 THR HA . . 4.210 4.035 3.469 4.280 0.070 8 0 "[ . 1 . 2]" 1
1202 1 70 LEU HA 1 70 LEU QD . . 2.710 2.214 1.960 2.721 0.011 10 0 "[ . 1 . 2]" 1
1203 1 70 LEU HA 1 70 LEU HG . . 4.190 3.085 2.263 3.878 . 0 0 "[ . 1 . 2]" 1
1204 1 70 LEU HA 1 71 LYS H . . 3.000 2.261 2.095 2.415 . 0 0 "[ . 1 . 2]" 1
1205 1 70 LEU HA 1 71 LYS QB . . 4.990 4.082 3.821 4.646 . 0 0 "[ . 1 . 2]" 1
1206 1 70 LEU HA 1 85 TRP HH2 . . 4.740 4.399 3.771 4.787 0.047 9 0 "[ . 1 . 2]" 1
1207 1 70 LEU HA 1 85 TRP HZ2 . . 4.720 4.681 4.336 4.781 0.061 4 0 "[ . 1 . 2]" 1
1208 1 70 LEU QB 1 70 LEU QD . . 2.710 2.006 1.955 2.114 . 0 0 "[ . 1 . 2]" 1
1209 1 70 LEU QB 1 71 LYS H . . 4.120 3.712 3.358 3.910 . 0 0 "[ . 1 . 2]" 1
1210 1 70 LEU QB 1 72 LEU QD . . 3.420 3.289 2.626 4.235 0.815 10 2 "[ . +- . 2]" 1
1211 1 70 LEU QB 1 83 PHE HB3 . . 4.530 3.547 2.710 4.500 . 0 0 "[ . 1 . 2]" 1
1212 1 70 LEU HB2 1 85 TRP HE3 . . 5.290 4.070 3.490 5.035 . 0 0 "[ . 1 . 2]" 1
1213 1 70 LEU HB2 1 85 TRP HZ3 . . 4.800 3.193 2.469 4.111 . 0 0 "[ . 1 . 2]" 1
1214 1 70 LEU QD 1 71 LYS H . . 3.980 2.160 1.808 2.495 . 0 0 "[ . 1 . 2]" 1
1215 1 70 LEU QD 1 71 LYS QB . . 4.420 3.444 2.800 3.774 . 0 0 "[ . 1 . 2]" 1
1216 1 70 LEU QD 1 85 TRP HE3 . . 4.210 4.007 3.486 4.220 0.010 4 0 "[ . 1 . 2]" 1
1217 1 70 LEU QD 1 85 TRP HH2 . . 2.970 2.358 2.022 2.927 . 0 0 "[ . 1 . 2]" 1
1218 1 70 LEU QD 1 85 TRP HZ2 . . 3.710 3.895 3.077 4.599 0.889 1 4 "[+ * - *. 2]" 1
1219 1 70 LEU QD 1 85 TRP HZ3 . . 3.580 2.217 2.024 2.611 . 0 0 "[ . 1 . 2]" 1
1220 1 70 LEU HG 1 71 LYS H . . 4.760 3.807 2.365 4.810 0.050 15 0 "[ . 1 . 2]" 1
1221 1 70 LEU HG 1 85 TRP HH2 . . 5.300 3.968 2.219 5.333 0.033 6 0 "[ . 1 . 2]" 1
1222 1 70 LEU HG 1 85 TRP HZ3 . . 5.350 4.194 2.888 5.296 . 0 0 "[ . 1 . 2]" 1
1223 1 71 LYS H 1 71 LYS QB . . 3.600 2.259 2.066 2.667 . 0 0 "[ . 1 . 2]" 1
1224 1 71 LYS H 1 71 LYS HD2 . . 5.150 4.594 3.495 5.178 0.028 17 0 "[ . 1 . 2]" 1
1225 1 71 LYS H 1 71 LYS HD3 . . 5.270 4.662 4.080 4.968 . 0 0 "[ . 1 . 2]" 1
1226 1 71 LYS H 1 72 LEU QD . . 5.500 5.003 4.253 5.696 0.196 11 0 "[ . 1 . 2]" 1
1227 1 71 LYS HA 1 71 LYS HD3 . . 5.110 4.068 2.766 4.839 . 0 0 "[ . 1 . 2]" 1
1228 1 71 LYS HA 1 81 GLY QA . . 5.060 5.399 2.280 6.750 1.690 11 14 "[*-*** * 1+****** *]" 1
1229 1 71 LYS QB 1 71 LYS HD3 . . 3.640 2.377 2.142 2.576 . 0 0 "[ . 1 . 2]" 1
1230 1 71 LYS QG 1 72 LEU H . . 4.700 3.392 2.315 4.049 . 0 0 "[ . 1 . 2]" 1
1231 1 71 LYS QG 1 81 GLY QA . . 4.670 5.556 3.118 7.395 2.725 4 16 "[***+* * ******** -*]" 1
1232 1 72 LEU H 1 72 LEU QD . . 4.280 3.442 2.646 3.968 . 0 0 "[ . 1 . 2]" 1
1233 1 72 LEU H 1 72 LEU HG . . 4.320 3.924 3.192 4.401 0.081 9 0 "[ . 1 . 2]" 1
1234 1 72 LEU H 1 73 SER H . . 5.070 4.447 3.518 4.754 . 0 0 "[ . 1 . 2]" 1
1235 1 72 LEU H 1 74 PHE QD . . 5.500 6.055 5.394 6.833 1.333 17 9 "[ * *.** * **. +- 2]" 1
1236 1 72 LEU H 1 83 PHE QD . . 4.910 3.577 2.982 4.825 . 0 0 "[ . 1 . 2]" 1
1237 1 72 LEU HA 1 72 LEU QD . . 3.150 2.244 1.963 2.871 . 0 0 "[ . 1 . 2]" 1
1238 1 72 LEU HA 1 72 LEU HG . . 3.720 2.757 2.187 3.546 . 0 0 "[ . 1 . 2]" 1
1239 1 72 LEU HA 1 73 SER H . . 3.080 2.302 2.097 2.511 . 0 0 "[ . 1 . 2]" 1
1240 1 72 LEU QB 1 73 SER H . . 4.180 3.163 2.539 3.907 . 0 0 "[ . 1 . 2]" 1
1241 1 72 LEU QB 1 74 PHE QD . . 4.110 3.543 2.604 4.036 . 0 0 "[ . 1 . 2]" 1
1242 1 72 LEU QB 1 74 PHE QE . . 4.020 2.712 1.962 3.824 . 0 0 "[ . 1 . 2]" 1
1243 1 72 LEU QB 1 83 PHE QD . . 4.770 2.830 2.199 3.860 . 0 0 "[ . 1 . 2]" 1
1244 1 72 LEU QB 1 83 PHE QE . . 3.990 2.707 2.298 3.432 . 0 0 "[ . 1 . 2]" 1
1245 1 72 LEU QB 1 83 PHE HZ . . 5.210 4.318 3.577 5.008 . 0 0 "[ . 1 . 2]" 1
1246 1 72 LEU QD 1 73 SER H . . 4.180 2.797 1.941 3.564 . 0 0 "[ . 1 . 2]" 1
1247 1 72 LEU QD 1 74 PHE QD . . 3.920 3.583 2.792 3.857 . 0 0 "[ . 1 . 2]" 1
1248 1 72 LEU QD 1 74 PHE QE . . 3.620 2.604 1.930 3.030 . 0 0 "[ . 1 . 2]" 1
1249 1 72 LEU QD 1 83 PHE HB2 . . 4.750 3.435 2.828 4.086 . 0 0 "[ . 1 . 2]" 1
1250 1 72 LEU QD 1 83 PHE HB3 . . 4.210 3.711 3.095 4.327 0.117 13 0 "[ . 1 . 2]" 1
1251 1 72 LEU QD 1 83 PHE QD . . 4.130 2.885 2.239 3.573 . 0 0 "[ . 1 . 2]" 1
1252 1 72 LEU QD 1 83 PHE QE . . 3.830 3.016 2.200 3.670 . 0 0 "[ . 1 . 2]" 1
1253 1 72 LEU QD 1 83 PHE HZ . . 4.650 3.643 2.840 4.339 . 0 0 "[ . 1 . 2]" 1
1254 1 72 LEU HG 1 73 SER H . . 4.930 4.267 2.492 4.792 . 0 0 "[ . 1 . 2]" 1
1255 1 72 LEU HG 1 83 PHE QD . . 4.640 4.518 4.030 4.736 0.096 8 0 "[ . 1 . 2]" 1
1256 1 73 SER H 1 73 SER HB2 . . 3.470 2.703 2.438 2.923 . 0 0 "[ . 1 . 2]" 1
1257 1 73 SER H 1 73 SER HB3 . . 3.700 3.786 3.637 3.941 0.241 15 0 "[ . 1 . 2]" 1
1258 1 73 SER H 1 74 PHE H . . 5.270 4.212 3.790 4.520 . 0 0 "[ . 1 . 2]" 1
1259 1 73 SER H 1 74 PHE QD . . 5.090 4.370 2.773 5.118 0.028 4 0 "[ . 1 . 2]" 1
1260 1 73 SER HA 1 74 PHE H . . 3.100 2.252 2.149 2.444 . 0 0 "[ . 1 . 2]" 1
1261 1 73 SER HA 1 79 ASP QB . . 4.010 2.731 2.171 3.345 . 0 0 "[ . 1 . 2]" 1
1262 1 73 SER HB2 1 74 PHE H . . 4.590 4.212 3.704 4.438 . 0 0 "[ . 1 . 2]" 1
1263 1 73 SER HB3 1 74 PHE H . . 4.380 3.451 2.638 3.932 . 0 0 "[ . 1 . 2]" 1
1264 1 73 SER HB3 1 79 ASP QB . . 4.420 3.690 2.575 4.415 . 0 0 "[ . 1 . 2]" 1
1265 1 74 PHE H 1 74 PHE QD . . 5.250 2.923 2.377 3.414 . 0 0 "[ . 1 . 2]" 1
1266 1 74 PHE H 1 75 ASP H . . 5.500 4.363 4.124 4.553 . 0 0 "[ . 1 . 2]" 1
1267 1 74 PHE H 1 76 ASP H . . 5.440 4.872 4.048 5.437 . 0 0 "[ . 1 . 2]" 1
1268 1 74 PHE H 1 77 GLY H . . 5.500 4.297 3.798 4.804 . 0 0 "[ . 1 . 2]" 1
1269 1 74 PHE H 1 78 HIS H . . 4.790 5.786 4.059 6.921 2.131 19 16 "[ ***.-****** **** +*]" 1
1270 1 74 PHE H 1 79 ASP QB . . 5.300 3.648 2.281 4.682 . 0 0 "[ . 1 . 2]" 1
1271 1 74 PHE HA 1 75 ASP H . . 3.140 2.179 2.019 2.320 . 0 0 "[ . 1 . 2]" 1
1272 1 74 PHE HA 1 76 ASP H . . 4.400 3.870 3.614 4.122 . 0 0 "[ . 1 . 2]" 1
1273 1 74 PHE HB2 1 75 ASP H . . 4.370 4.006 3.700 4.264 . 0 0 "[ . 1 . 2]" 1
1274 1 74 PHE HB2 1 76 ASP H . . 3.930 3.393 2.666 3.937 0.007 1 0 "[ . 1 . 2]" 1
1275 1 74 PHE HB3 1 75 ASP H . . 3.630 3.105 2.664 3.573 . 0 0 "[ . 1 . 2]" 1
1276 1 74 PHE HB3 1 76 ASP H . . 3.790 2.851 2.252 3.552 . 0 0 "[ . 1 . 2]" 1
1277 1 74 PHE HB3 1 77 GLY H . . 5.250 4.090 3.088 5.185 . 0 0 "[ . 1 . 2]" 1
1278 1 75 ASP H 1 76 ASP H . . 3.650 2.725 2.265 3.077 . 0 0 "[ . 1 . 2]" 1
1279 1 75 ASP H 1 77 GLY H . . 5.010 4.388 3.762 5.008 . 0 0 "[ . 1 . 2]" 1
1280 1 75 ASP HA 1 77 GLY H . . 3.890 3.607 3.202 3.916 0.026 14 0 "[ . 1 . 2]" 1
1281 1 75 ASP QB 1 76 ASP H . . 5.230 3.321 2.487 3.918 . 0 0 "[ . 1 . 2]" 1
1282 1 76 ASP H 1 76 ASP HB2 . . 3.790 2.905 2.165 3.748 . 0 0 "[ . 1 . 2]" 1
1283 1 76 ASP H 1 76 ASP HB3 . . 4.160 2.630 2.296 3.642 . 0 0 "[ . 1 . 2]" 1
1284 1 76 ASP HA 1 77 GLY H . . 3.520 3.304 2.565 3.561 0.041 11 0 "[ . 1 . 2]" 1
1285 1 76 ASP HB2 1 77 GLY H . . 5.310 4.309 3.856 4.679 . 0 0 "[ . 1 . 2]" 1
1286 1 76 ASP HB3 1 77 GLY H . . 5.500 3.728 2.667 4.469 . 0 0 "[ . 1 . 2]" 1
1287 1 78 HIS H 1 78 HIS HB2 . . 3.440 3.081 2.413 3.729 0.289 1 0 "[ . 1 . 2]" 1
1288 1 78 HIS H 1 78 HIS HB3 . . 3.440 3.140 2.063 3.733 0.293 3 0 "[ . 1 . 2]" 1
1289 1 78 HIS H 1 78 HIS HD2 . . 5.500 4.224 1.974 5.344 . 0 0 "[ . 1 . 2]" 1
1290 1 78 HIS HA 1 79 ASP H . . 3.320 2.736 2.188 3.399 0.079 19 0 "[ . 1 . 2]" 1
1291 1 78 HIS HB3 1 79 ASP H . . 5.500 4.061 2.515 4.589 . 0 0 "[ . 1 . 2]" 1
1292 1 80 SER HA 1 81 GLY H . . 3.050 2.585 2.149 3.103 0.053 10 0 "[ . 1 . 2]" 1
1293 1 80 SER HA 1 81 GLY QA . . 4.700 4.030 3.892 4.326 . 0 0 "[ . 1 . 2]" 1
1294 1 80 SER HA 1 83 PHE QE . . 5.010 6.384 4.406 8.476 3.466 5 15 "[*** + ** * -***** **]" 1
1295 1 80 SER QB 1 81 GLY H . . 4.510 3.207 1.853 4.002 . 0 0 "[ . 1 . 2]" 1
1296 1 80 SER QB 1 83 PHE QE . . 4.090 6.104 2.030 8.787 4.697 5 15 "[****+ ** - ***** **]" 1
1297 1 83 PHE HA 1 83 PHE QD . . 4.050 2.805 2.383 3.086 . 0 0 "[ . 1 . 2]" 1
1298 1 83 PHE HA 1 88 LEU QD . . 4.290 4.073 3.393 4.724 0.434 5 0 "[ . 1 . 2]" 1
1299 1 83 PHE HB2 1 87 TYR QD . . 4.860 4.996 4.366 5.481 0.621 4 1 "[ +. 1 . 2]" 1
1300 1 83 PHE HB2 1 88 LEU QD . . 3.910 2.840 2.295 3.338 . 0 0 "[ . 1 . 2]" 1
1301 1 83 PHE HB2 1 88 LEU HG . . 4.090 3.919 3.446 4.260 0.170 3 0 "[ . 1 . 2]" 1
1302 1 83 PHE HB3 1 83 PHE QE . . 4.550 4.451 4.385 4.501 . 0 0 "[ . 1 . 2]" 1
1303 1 83 PHE HB3 1 88 LEU QD . . 4.040 2.244 1.966 2.832 . 0 0 "[ . 1 . 2]" 1
1304 1 83 PHE HB3 1 88 LEU HG . . 4.810 2.360 2.058 2.706 . 0 0 "[ . 1 . 2]" 1
1305 1 83 PHE QD 1 87 TYR QE . . 4.480 2.917 2.356 3.489 . 0 0 "[ . 1 . 2]" 1
1306 1 83 PHE QD 1 88 LEU QD . . 3.420 2.707 2.184 3.324 . 0 0 "[ . 1 . 2]" 1
1307 1 83 PHE QD 1 88 LEU HG . . 4.510 3.118 2.036 3.768 . 0 0 "[ . 1 . 2]" 1
1308 1 83 PHE HZ 1 87 TYR QE . . 4.700 4.639 3.161 4.769 0.069 16 0 "[ . 1 . 2]" 1
1309 1 84 THR HA 1 84 THR MG . . 3.140 2.236 2.123 2.380 . 0 0 "[ . 1 . 2]" 1
1310 1 84 THR HA 1 85 TRP H . . 3.220 2.438 2.200 2.860 . 0 0 "[ . 1 . 2]" 1
1311 1 84 THR HB 1 85 TRP H . . 3.920 3.256 2.265 3.703 . 0 0 "[ . 1 . 2]" 1
1312 1 84 THR MG 1 85 TRP H . . 4.060 2.339 1.753 3.187 . 0 0 "[ . 1 . 2]" 1
1313 1 84 THR MG 1 85 TRP HB2 . . 4.760 3.828 3.230 4.840 0.080 8 0 "[ . 1 . 2]" 1
1314 1 84 THR MG 1 86 ASP H . . 4.700 3.082 2.229 4.588 . 0 0 "[ . 1 . 2]" 1
1315 1 84 THR MG 1 87 TYR H . . 5.500 4.074 3.270 5.007 . 0 0 "[ . 1 . 2]" 1
1316 1 85 TRP H 1 85 TRP HB2 . . 3.840 2.425 2.254 2.623 . 0 0 "[ . 1 . 2]" 1
1317 1 85 TRP H 1 85 TRP HD1 . . 5.120 3.616 3.198 3.925 . 0 0 "[ . 1 . 2]" 1
1318 1 85 TRP H 1 86 ASP H . . 3.680 2.761 2.188 3.111 . 0 0 "[ . 1 . 2]" 1
1319 1 85 TRP H 1 88 LEU QD . . 5.500 4.223 3.593 4.934 . 0 0 "[ . 1 . 2]" 1
1320 1 85 TRP HA 1 85 TRP HE3 . . 3.360 2.137 2.015 2.278 . 0 0 "[ . 1 . 2]" 1
1321 1 85 TRP HA 1 88 LEU H . . 4.410 3.406 2.988 3.585 . 0 0 "[ . 1 . 2]" 1
1322 1 85 TRP HA 1 88 LEU HB2 . . 4.120 2.668 2.307 2.872 . 0 0 "[ . 1 . 2]" 1
1323 1 85 TRP HA 1 88 LEU HB3 . . 4.800 4.274 3.931 4.552 . 0 0 "[ . 1 . 2]" 1
1324 1 85 TRP HA 1 88 LEU QD . . 3.880 2.569 2.177 3.104 . 0 0 "[ . 1 . 2]" 1
1325 1 85 TRP HA 1 89 TYR H . . 5.500 4.160 3.703 4.509 . 0 0 "[ . 1 . 2]" 1
1326 1 85 TRP HB2 1 85 TRP HD1 . . 3.380 2.544 2.450 2.614 . 0 0 "[ . 1 . 2]" 1
1327 1 85 TRP HB2 1 86 ASP H . . 3.510 2.763 2.477 3.004 . 0 0 "[ . 1 . 2]" 1
1328 1 85 TRP HB3 1 85 TRP HD1 . . 3.870 3.432 3.153 3.560 . 0 0 "[ . 1 . 2]" 1
1329 1 85 TRP HB3 1 85 TRP HE3 . . 3.800 3.190 2.878 3.593 . 0 0 "[ . 1 . 2]" 1
1330 1 85 TRP HB3 1 86 ASP H . . 4.000 3.569 3.338 3.929 . 0 0 "[ . 1 . 2]" 1
1331 1 85 TRP HB3 1 88 LEU QD . . 5.140 4.596 4.231 5.078 . 0 0 "[ . 1 . 2]" 1
1332 1 85 TRP HE3 1 88 LEU HB2 . . 5.110 3.038 2.430 3.423 . 0 0 "[ . 1 . 2]" 1
1333 1 85 TRP HE3 1 88 LEU QD . . 3.570 2.481 2.147 3.048 . 0 0 "[ . 1 . 2]" 1
1334 1 85 TRP HE3 1 89 TYR H . . 5.120 4.782 4.234 5.113 . 0 0 "[ . 1 . 2]" 1
1335 1 85 TRP HZ3 1 88 LEU QD . . 3.550 2.647 2.287 3.404 . 0 0 "[ . 1 . 2]" 1
1336 1 86 ASP H 1 86 ASP HB2 . . 3.570 2.446 2.027 3.613 0.043 3 0 "[ . 1 . 2]" 1
1337 1 86 ASP H 1 86 ASP HB3 . . 3.250 3.166 2.513 3.608 0.358 18 0 "[ . 1 . 2]" 1
1338 1 86 ASP H 1 87 TYR H . . 3.340 2.729 2.531 2.926 . 0 0 "[ . 1 . 2]" 1
1339 1 86 ASP H 1 88 LEU H . . 4.340 4.174 3.816 4.341 0.001 2 0 "[ . 1 . 2]" 1
1340 1 86 ASP HA 1 89 TYR QB . . 4.430 3.570 2.592 4.392 . 0 0 "[ . 1 . 2]" 1
1341 1 86 ASP HA 1 90 GLU H . . 4.560 4.254 3.852 4.583 0.023 18 0 "[ . 1 . 2]" 1
1342 1 86 ASP HA 1 90 GLU HB2 . . 4.690 4.717 4.525 4.768 0.078 17 0 "[ . 1 . 2]" 1
1343 1 86 ASP HB2 1 87 TYR H . . 3.950 3.281 2.506 4.023 0.073 20 0 "[ . 1 . 2]" 1
1344 1 86 ASP HB3 1 87 TYR H . . 3.800 3.295 2.289 3.914 0.114 2 0 "[ . 1 . 2]" 1
1345 1 87 TYR H 1 87 TYR HB2 . . 3.370 2.543 2.238 3.047 . 0 0 "[ . 1 . 2]" 1
1346 1 87 TYR H 1 87 TYR HB3 . . 3.290 2.411 2.269 2.592 . 0 0 "[ . 1 . 2]" 1
1347 1 87 TYR H 1 87 TYR QD . . 4.400 4.188 4.070 4.342 . 0 0 "[ . 1 . 2]" 1
1348 1 87 TYR H 1 88 LEU H . . 3.200 2.675 2.043 3.164 . 0 0 "[ . 1 . 2]" 1
1349 1 87 TYR H 1 88 LEU QD . . 5.500 4.913 4.188 5.451 . 0 0 "[ . 1 . 2]" 1
1350 1 87 TYR HA 1 87 TYR QD . . 2.730 2.264 2.144 2.385 . 0 0 "[ . 1 . 2]" 1
1351 1 87 TYR HA 1 87 TYR QE . . 4.440 4.501 4.425 4.526 0.086 10 0 "[ . 1 . 2]" 1
1352 1 87 TYR HA 1 88 LEU HA . . 4.630 4.804 4.712 4.909 0.279 2 0 "[ . 1 . 2]" 1
1353 1 87 TYR HA 1 90 GLU H . . 4.080 3.530 3.225 3.998 . 0 0 "[ . 1 . 2]" 1
1354 1 87 TYR HA 1 90 GLU HB2 . . 4.210 3.089 2.574 3.487 . 0 0 "[ . 1 . 2]" 1
1355 1 87 TYR HA 1 90 GLU HB3 . . 3.930 2.571 2.163 3.174 . 0 0 "[ . 1 . 2]" 1
1356 1 87 TYR HA 1 91 LEU H . . 4.940 3.954 3.520 4.367 . 0 0 "[ . 1 . 2]" 1
1357 1 87 TYR HA 1 91 LEU MD1 . . 5.250 4.653 3.968 5.283 0.033 14 0 "[ . 1 . 2]" 1
1358 1 87 TYR HB2 1 88 LEU H . . 4.260 3.978 3.789 4.190 . 0 0 "[ . 1 . 2]" 1
1359 1 87 TYR HB3 1 88 LEU H . . 4.050 2.688 2.422 3.012 . 0 0 "[ . 1 . 2]" 1
1360 1 87 TYR HB3 1 88 LEU HG . . 4.200 3.839 3.424 4.272 0.072 9 0 "[ . 1 . 2]" 1
1361 1 87 TYR QD 1 88 LEU H . . 4.720 4.055 3.584 4.398 . 0 0 "[ . 1 . 2]" 1
1362 1 87 TYR QD 1 88 LEU HA . . 5.100 4.424 3.971 4.758 . 0 0 "[ . 1 . 2]" 1
1363 1 87 TYR QD 1 88 LEU QD . . 4.790 4.074 3.495 4.486 . 0 0 "[ . 1 . 2]" 1
1364 1 87 TYR QD 1 90 GLU H . . 5.500 5.097 4.649 5.521 0.021 20 0 "[ . 1 . 2]" 1
1365 1 87 TYR QD 1 90 GLU HB2 . . 4.810 4.446 3.756 4.872 0.062 10 0 "[ . 1 . 2]" 1
1366 1 87 TYR QD 1 90 GLU HB3 . . 3.920 3.344 2.656 3.866 . 0 0 "[ . 1 . 2]" 1
1367 1 87 TYR QD 1 91 LEU H . . 4.830 4.332 3.828 4.830 . 11 0 "[ . 1 . 2]" 1
1368 1 87 TYR QD 1 91 LEU MD1 . . 3.820 3.398 2.981 3.906 0.086 14 0 "[ . 1 . 2]" 1
1369 1 87 TYR QD 1 91 LEU MD2 . . 4.310 3.774 3.461 3.976 . 0 0 "[ . 1 . 2]" 1
1370 1 87 TYR QD 1 91 LEU HG . . 3.880 3.374 3.076 3.776 . 0 0 "[ . 1 . 2]" 1
1371 1 87 TYR QE 1 91 LEU MD1 . . 3.210 2.804 2.539 3.117 . 0 0 "[ . 1 . 2]" 1
1372 1 87 TYR QE 1 91 LEU MD2 . . 3.450 2.561 2.218 3.142 . 0 0 "[ . 1 . 2]" 1
1373 1 87 TYR QE 1 91 LEU HG . . 3.520 3.398 2.838 3.977 0.457 20 0 "[ . 1 . 2]" 1
1374 1 88 LEU H 1 88 LEU HB2 . . 3.440 2.322 2.177 2.459 . 0 0 "[ . 1 . 2]" 1
1375 1 88 LEU H 1 88 LEU HB3 . . 3.870 3.584 3.501 3.638 . 0 0 "[ . 1 . 2]" 1
1376 1 88 LEU H 1 88 LEU QD . . 4.250 3.240 3.017 3.458 . 0 0 "[ . 1 . 2]" 1
1377 1 88 LEU H 1 88 LEU HG . . 3.720 2.680 2.416 3.086 . 0 0 "[ . 1 . 2]" 1
1378 1 88 LEU H 1 89 TYR H . . 3.620 2.860 2.688 3.021 . 0 0 "[ . 1 . 2]" 1
1379 1 88 LEU H 1 90 GLU H . . 4.970 4.035 3.646 4.254 . 0 0 "[ . 1 . 2]" 1
1380 1 88 LEU H 1 91 LEU H . . 5.500 4.924 4.707 5.153 . 0 0 "[ . 1 . 2]" 1
1381 1 88 LEU HA 1 88 LEU QD . . 3.340 2.133 2.026 2.282 . 0 0 "[ . 1 . 2]" 1
1382 1 88 LEU HA 1 91 LEU H . . 4.110 3.777 3.460 4.014 . 0 0 "[ . 1 . 2]" 1
1383 1 88 LEU HA 1 91 LEU HB2 . . 4.120 3.176 2.711 3.577 . 0 0 "[ . 1 . 2]" 1
1384 1 88 LEU HA 1 91 LEU HB3 . . 5.110 4.805 4.261 5.257 0.147 10 0 "[ . 1 . 2]" 1
1385 1 88 LEU HA 1 91 LEU MD1 . . 3.570 2.870 2.159 3.450 . 0 0 "[ . 1 . 2]" 1
1386 1 88 LEU HA 1 91 LEU HG . . 4.360 3.972 3.505 4.404 0.044 11 0 "[ . 1 . 2]" 1
1387 1 88 LEU HA 1 92 ALA H . . 5.040 4.453 4.159 4.820 . 0 0 "[ . 1 . 2]" 1
1388 1 88 LEU HA 1 92 ALA MB . . 5.140 4.951 4.676 5.225 0.085 20 0 "[ . 1 . 2]" 1
1389 1 88 LEU HB2 1 89 TYR H . . 4.200 2.647 2.463 2.993 . 0 0 "[ . 1 . 2]" 1
1390 1 88 LEU HB3 1 89 TYR H . . 4.170 3.265 2.840 3.478 . 0 0 "[ . 1 . 2]" 1
1391 1 88 LEU HB3 1 89 TYR HA . . 4.290 4.149 4.007 4.303 0.013 16 0 "[ . 1 . 2]" 1
1392 1 88 LEU QD 1 89 TYR H . . 5.500 4.080 3.972 4.282 . 0 0 "[ . 1 . 2]" 1
1393 1 88 LEU QD 1 91 LEU MD1 . . 3.610 3.106 2.243 3.779 0.169 11 0 "[ . 1 . 2]" 1
1394 1 88 LEU HG 1 89 TYR H . . 5.330 4.665 4.518 4.946 . 0 0 "[ . 1 . 2]" 1
1395 1 89 TYR H 1 89 TYR QB . . 3.310 2.114 2.054 2.199 . 0 0 "[ . 1 . 2]" 1
1396 1 89 TYR H 1 90 GLU H . . 3.440 2.616 2.372 2.848 . 0 0 "[ . 1 . 2]" 1
1397 1 89 TYR HA 1 89 TYR QE . . 4.840 4.170 4.041 4.281 . 0 0 "[ . 1 . 2]" 1
1398 1 89 TYR HA 1 91 LEU H . . 5.500 4.532 4.346 4.785 . 0 0 "[ . 1 . 2]" 1
1399 1 89 TYR HA 1 92 ALA H . . 4.100 3.036 2.862 3.227 . 0 0 "[ . 1 . 2]" 1
1400 1 89 TYR HA 1 92 ALA MB . . 3.610 2.240 2.019 2.438 . 0 0 "[ . 1 . 2]" 1
1401 1 89 TYR HA 1 93 THR MG . . 5.440 4.655 4.384 5.009 . 0 0 "[ . 1 . 2]" 1
1402 1 89 TYR QB 1 90 GLU H . . 3.610 3.009 2.857 3.159 . 0 0 "[ . 1 . 2]" 1
1403 1 89 TYR QB 1 90 GLU HB3 . . 5.390 5.190 4.898 5.470 0.080 19 0 "[ . 1 . 2]" 1
1404 1 89 TYR QD 1 92 ALA MB . . 4.190 2.383 2.110 2.647 . 0 0 "[ . 1 . 2]" 1
1405 1 89 TYR QE 1 92 ALA MB . . 3.800 3.631 3.223 3.893 0.093 17 0 "[ . 1 . 2]" 1
1406 1 90 GLU H 1 90 GLU HB2 . . 3.430 2.384 2.123 2.666 . 0 0 "[ . 1 . 2]" 1
1407 1 90 GLU H 1 90 GLU HB3 . . 3.060 2.536 2.167 2.957 . 0 0 "[ . 1 . 2]" 1
1408 1 90 GLU H 1 91 LEU H . . 3.420 2.811 2.603 2.933 . 0 0 "[ . 1 . 2]" 1
1409 1 90 GLU H 1 91 LEU HG . . 5.010 4.705 4.322 4.988 . 0 0 "[ . 1 . 2]" 1
1410 1 90 GLU H 1 93 THR MG . . 5.500 4.695 4.334 5.141 . 0 0 "[ . 1 . 2]" 1
1411 1 90 GLU HA 1 93 THR H . . 4.190 3.839 3.503 4.139 . 0 0 "[ . 1 . 2]" 1
1412 1 90 GLU HA 1 93 THR MG . . 2.920 2.786 2.248 3.634 0.714 4 1 "[ +. 1 . 2]" 1
1413 1 90 GLU HB3 1 91 LEU H . . 3.520 2.312 2.154 2.526 . 0 0 "[ . 1 . 2]" 1
1414 1 90 GLU HB3 1 91 LEU MD2 . . 5.190 4.167 3.663 4.733 . 0 0 "[ . 1 . 2]" 1
1415 1 90 GLU HB3 1 92 ALA H . . 5.500 4.807 4.645 5.038 . 0 0 "[ . 1 . 2]" 1
1416 1 91 LEU H 1 91 LEU HB2 . . 3.550 2.486 2.341 2.653 . 0 0 "[ . 1 . 2]" 1
1417 1 91 LEU H 1 91 LEU MD1 . . 3.970 3.529 3.229 3.938 . 0 0 "[ . 1 . 2]" 1
1418 1 91 LEU H 1 91 LEU MD2 . . 3.820 3.444 3.246 3.631 . 0 0 "[ . 1 . 2]" 1
1419 1 91 LEU H 1 91 LEU HG . . 3.260 2.281 1.969 2.545 . 0 0 "[ . 1 . 2]" 1
1420 1 91 LEU HA 1 91 LEU MD2 . . 2.870 2.241 2.077 2.563 . 0 0 "[ . 1 . 2]" 1
1421 1 91 LEU HA 1 91 LEU HG . . 4.200 3.095 2.917 3.396 . 0 0 "[ . 1 . 2]" 1
1422 1 91 LEU HA 1 94 ARG HB2 . . 4.100 2.265 2.033 2.442 . 0 0 "[ . 1 . 2]" 1
1423 1 91 LEU HA 1 94 ARG HG2 . . 4.840 4.518 4.019 4.890 0.050 19 0 "[ . 1 . 2]" 1
1424 1 91 LEU HA 1 95 LYS HA . . 4.480 4.513 4.325 4.555 0.075 14 0 "[ . 1 . 2]" 1
1425 1 91 LEU HA 1 98 LEU QD . . 3.220 2.532 2.045 2.885 . 0 0 "[ . 1 . 2]" 1
1426 1 91 LEU HB2 1 91 LEU MD1 . . 3.440 2.280 2.168 2.378 . 0 0 "[ . 1 . 2]" 1
1427 1 91 LEU HB2 1 92 ALA H . . 3.570 2.831 2.586 3.096 . 0 0 "[ . 1 . 2]" 1
1428 1 91 LEU HB3 1 92 ALA H . . 4.070 3.768 3.437 4.033 . 0 0 "[ . 1 . 2]" 1
1429 1 91 LEU MD1 1 92 ALA H . . 5.360 4.633 4.293 4.866 . 0 0 "[ . 1 . 2]" 1
1430 1 91 LEU MD2 1 94 ARG HB2 . . 5.500 3.480 3.177 3.968 . 0 0 "[ . 1 . 2]" 1
1431 1 91 LEU MD2 1 98 LEU QD . . 3.250 1.926 1.802 2.130 . 0 0 "[ . 1 . 2]" 1
1432 1 91 LEU MD2 1 98 LEU HG . . 5.370 3.826 2.172 4.518 . 0 0 "[ . 1 . 2]" 1
1433 1 92 ALA H 1 92 ALA MB . . 2.990 2.245 2.184 2.346 . 0 0 "[ . 1 . 2]" 1
1434 1 92 ALA H 1 93 THR H . . 3.530 2.893 2.589 3.001 . 0 0 "[ . 1 . 2]" 1
1435 1 92 ALA H 1 93 THR MG . . 4.810 4.103 3.703 4.324 . 0 0 "[ . 1 . 2]" 1
1436 1 92 ALA H 1 94 ARG H . . 4.770 4.049 3.603 4.245 . 0 0 "[ . 1 . 2]" 1
1437 1 92 ALA HA 1 93 THR MG . . 5.070 5.100 4.881 5.176 0.106 9 0 "[ . 1 . 2]" 1
1438 1 92 ALA HA 1 95 LYS H . . 4.570 4.206 3.920 4.495 . 0 0 "[ . 1 . 2]" 1
1439 1 92 ALA HA 1 95 LYS HB2 . . 4.280 3.733 3.358 4.154 . 0 0 "[ . 1 . 2]" 1
1440 1 92 ALA MB 1 93 THR H . . 3.510 2.490 2.188 2.778 . 0 0 "[ . 1 . 2]" 1
1441 1 92 ALA MB 1 93 THR HA . . 4.600 3.896 3.678 4.058 . 0 0 "[ . 1 . 2]" 1
1442 1 92 ALA MB 1 93 THR MG . . 3.880 3.400 2.832 3.727 . 0 0 "[ . 1 . 2]" 1
1443 1 92 ALA MB 1 94 ARG H . . 5.300 4.368 4.144 4.611 . 0 0 "[ . 1 . 2]" 1
1444 1 93 THR H 1 93 THR HB . . 4.170 2.874 2.498 3.602 . 0 0 "[ . 1 . 2]" 1
1445 1 93 THR H 1 93 THR MG . . 3.200 1.965 1.845 2.099 . 0 0 "[ . 1 . 2]" 1
1446 1 93 THR H 1 94 ARG H . . 3.280 2.431 2.213 2.688 . 0 0 "[ . 1 . 2]" 1
1447 1 93 THR H 1 94 ARG HG2 . . 5.500 4.240 3.814 4.879 . 0 0 "[ . 1 . 2]" 1
1448 1 93 THR H 1 94 ARG HG3 . . 4.920 4.898 4.721 4.937 0.017 20 0 "[ . 1 . 2]" 1
1449 1 93 THR H 1 95 LYS H . . 4.890 4.116 3.875 4.538 . 0 0 "[ . 1 . 2]" 1
1450 1 93 THR HA 1 93 THR HB . . 2.920 2.388 2.296 2.506 . 0 0 "[ . 1 . 2]" 1
1451 1 93 THR HA 1 93 THR MG . . 3.150 3.195 2.478 3.242 0.092 19 0 "[ . 1 . 2]" 1
1452 1 93 THR HA 1 94 ARG HA . . 4.820 4.735 4.566 4.870 0.050 11 0 "[ . 1 . 2]" 1
1453 1 93 THR HA 1 95 LYS H . . 4.380 3.903 3.541 4.351 . 0 0 "[ . 1 . 2]" 1
1454 1 93 THR HB 1 94 ARG H . . 5.070 4.275 3.795 4.594 . 0 0 "[ . 1 . 2]" 1
1455 1 93 THR MG 1 94 ARG H . . 4.330 2.826 2.328 3.765 . 0 0 "[ . 1 . 2]" 1
1456 1 93 THR MG 1 94 ARG QD . . 5.500 4.149 3.580 5.305 . 0 0 "[ . 1 . 2]" 1
1457 1 93 THR MG 1 94 ARG HG3 . . 5.200 3.638 3.012 5.277 0.077 4 0 "[ . 1 . 2]" 1
1458 1 94 ARG H 1 94 ARG HB2 . . 3.810 2.330 2.149 2.550 . 0 0 "[ . 1 . 2]" 1
1459 1 94 ARG H 1 94 ARG HB3 . . 3.960 3.566 3.454 3.738 . 0 0 "[ . 1 . 2]" 1
1460 1 94 ARG H 1 94 ARG HG2 . . 4.060 2.734 2.224 3.270 . 0 0 "[ . 1 . 2]" 1
1461 1 94 ARG H 1 94 ARG HG3 . . 3.340 3.410 3.026 4.012 0.672 17 4 "[- . **1 . + 2]" 1
1462 1 94 ARG H 1 95 LYS H . . 3.220 2.511 2.002 2.818 . 0 0 "[ . 1 . 2]" 1
1463 1 94 ARG H 1 95 LYS HA . . 4.800 4.697 4.139 4.880 0.080 5 0 "[ . 1 . 2]" 1
1464 1 94 ARG H 1 95 LYS HB2 . . 5.200 4.649 3.898 5.022 . 0 0 "[ . 1 . 2]" 1
1465 1 94 ARG H 1 98 LEU QD . . 4.700 3.890 3.471 4.239 . 0 0 "[ . 1 . 2]" 1
1466 1 94 ARG HA 1 94 ARG QD . . 4.190 3.094 2.113 3.738 . 0 0 "[ . 1 . 2]" 1
1467 1 94 ARG HA 1 94 ARG HE . . 3.830 2.829 1.778 3.856 0.026 11 0 "[ . 1 . 2]" 1
1468 1 94 ARG HA 1 94 ARG HG2 . . 3.700 2.661 2.214 2.931 . 0 0 "[ . 1 . 2]" 1
1469 1 94 ARG HA 1 94 ARG HG3 . . 3.980 3.717 3.456 3.831 . 0 0 "[ . 1 . 2]" 1
1470 1 94 ARG HA 1 95 LYS HA . . 4.900 4.890 4.777 4.958 0.058 7 0 "[ . 1 . 2]" 1
1471 1 94 ARG HA 1 96 ASP H . . 4.660 4.381 3.998 4.648 . 0 0 "[ . 1 . 2]" 1
1472 1 94 ARG HA 1 97 GLN H . . 4.720 3.845 3.380 4.147 . 0 0 "[ . 1 . 2]" 1
1473 1 94 ARG HA 1 98 LEU QD . . 4.540 3.692 3.372 4.031 . 0 0 "[ . 1 . 2]" 1
1474 1 94 ARG HB2 1 95 LYS H . . 5.130 3.386 3.149 3.624 . 0 0 "[ . 1 . 2]" 1
1475 1 94 ARG HB3 1 94 ARG QD . . 3.640 2.290 1.965 2.702 . 0 0 "[ . 1 . 2]" 1
1476 1 94 ARG HB3 1 95 LYS H . . 5.400 4.116 3.913 4.246 . 0 0 "[ . 1 . 2]" 1
1477 1 94 ARG HB3 1 98 LEU QD . . 4.290 2.087 1.905 2.284 . 0 0 "[ . 1 . 2]" 1
1478 1 94 ARG QD 1 97 GLN QG . . 5.500 4.266 3.361 5.162 . 0 0 "[ . 1 . 2]" 1
1479 1 94 ARG QD 1 98 LEU QD . . 4.690 2.971 2.207 3.632 . 0 0 "[ . 1 . 2]" 1
1480 1 94 ARG HE 1 97 GLN QB . . 4.740 3.643 3.099 4.406 . 0 0 "[ . 1 . 2]" 1
1481 1 94 ARG HE 1 98 LEU QD . . 5.500 3.845 2.215 4.951 . 0 0 "[ . 1 . 2]" 1
1482 1 95 LYS H 1 95 LYS HB2 . . 3.310 2.489 2.365 2.625 . 0 0 "[ . 1 . 2]" 1
1483 1 95 LYS H 1 95 LYS HB3 . . 3.360 2.553 2.287 2.722 . 0 0 "[ . 1 . 2]" 1
1484 1 95 LYS H 1 95 LYS HG2 . . 4.630 4.497 4.371 4.567 . 0 0 "[ . 1 . 2]" 1
1485 1 95 LYS H 1 95 LYS HG3 . . 4.630 4.470 4.369 4.619 . 0 0 "[ . 1 . 2]" 1
1486 1 95 LYS H 1 96 ASP H . . 3.800 3.146 2.872 3.357 . 0 0 "[ . 1 . 2]" 1
1487 1 95 LYS H 1 97 GLN H . . 5.500 4.672 4.386 4.888 . 0 0 "[ . 1 . 2]" 1
1488 1 95 LYS H 1 98 LEU QD . . 5.160 3.585 2.907 4.185 . 0 0 "[ . 1 . 2]" 1
1489 1 95 LYS HA 1 95 LYS HD2 . . 5.490 4.722 4.130 5.043 . 0 0 "[ . 1 . 2]" 1
1490 1 95 LYS HA 1 95 LYS HD3 . . 5.290 4.524 4.339 4.958 . 0 0 "[ . 1 . 2]" 1
1491 1 95 LYS HA 1 95 LYS HG2 . . 3.930 3.130 2.516 3.516 . 0 0 "[ . 1 . 2]" 1
1492 1 95 LYS HA 1 95 LYS HG3 . . 3.660 2.870 2.499 3.677 0.017 1 0 "[ . 1 . 2]" 1
1493 1 95 LYS HA 1 97 GLN H . . 5.110 4.455 4.065 4.926 . 0 0 "[ . 1 . 2]" 1
1494 1 95 LYS HA 1 98 LEU H . . 4.440 3.667 3.454 3.929 . 0 0 "[ . 1 . 2]" 1
1495 1 95 LYS HA 1 98 LEU HB2 . . 3.840 2.615 2.305 2.874 . 0 0 "[ . 1 . 2]" 1
1496 1 95 LYS HA 1 98 LEU HB3 . . 5.030 4.065 3.557 4.416 . 0 0 "[ . 1 . 2]" 1
1497 1 95 LYS HA 1 98 LEU QD . . 3.900 2.688 2.124 3.303 . 0 0 "[ . 1 . 2]" 1
1498 1 95 LYS HA 1 99 TRP H . . 4.670 3.707 3.372 4.056 . 0 0 "[ . 1 . 2]" 1
1499 1 95 LYS HB2 1 95 LYS QE . . 4.820 3.811 3.051 4.227 . 0 0 "[ . 1 . 2]" 1
1500 1 95 LYS HB2 1 96 ASP H . . 3.930 3.868 3.577 3.958 0.028 5 0 "[ . 1 . 2]" 1
1501 1 95 LYS HB3 1 95 LYS QE . . 3.900 2.960 1.895 3.601 . 0 0 "[ . 1 . 2]" 1
1502 1 95 LYS HB3 1 96 ASP H . . 3.340 2.517 2.196 2.706 . 0 0 "[ . 1 . 2]" 1
1503 1 95 LYS HD3 1 96 ASP H . . 5.170 4.718 2.936 5.232 0.062 11 0 "[ . 1 . 2]" 1
1504 1 95 LYS QE 1 95 LYS HG2 . . 3.850 2.502 1.965 3.370 . 0 0 "[ . 1 . 2]" 1
1505 1 95 LYS QE 1 96 ASP HA . . 5.500 3.900 1.824 5.362 . 0 0 "[ . 1 . 2]" 1
1506 1 95 LYS HG2 1 96 ASP H . . 4.380 3.496 2.920 4.130 . 0 0 "[ . 1 . 2]" 1
1507 1 95 LYS HG2 1 96 ASP HA . . 4.400 3.488 2.900 4.125 . 0 0 "[ . 1 . 2]" 1
1508 1 95 LYS HG2 1 99 TRP H . . 5.500 4.214 3.827 4.608 . 0 0 "[ . 1 . 2]" 1
1509 1 95 LYS HG2 1 99 TRP HB3 . . 5.040 3.912 3.312 4.441 . 0 0 "[ . 1 . 2]" 1
1510 1 95 LYS HG3 1 96 ASP H . . 4.570 4.493 4.180 4.599 0.029 3 0 "[ . 1 . 2]" 1
1511 1 95 LYS HG3 1 96 ASP HA . . 5.260 4.925 4.421 5.328 0.068 3 0 "[ . 1 . 2]" 1
1512 1 96 ASP H 1 96 ASP HB2 . . 3.510 2.340 1.970 3.288 . 0 0 "[ . 1 . 2]" 1
1513 1 96 ASP H 1 96 ASP HB3 . . 3.240 2.878 2.323 3.535 0.295 4 0 "[ . 1 . 2]" 1
1514 1 96 ASP H 1 97 GLN H . . 3.350 2.947 2.727 3.091 . 0 0 "[ . 1 . 2]" 1
1515 1 96 ASP H 1 97 GLN QB . . 5.450 4.608 4.343 4.815 . 0 0 "[ . 1 . 2]" 1
1516 1 96 ASP H 1 98 LEU H . . 4.720 4.451 4.307 4.636 . 0 0 "[ . 1 . 2]" 1
1517 1 96 ASP HA 1 99 TRP H . . 4.300 3.927 3.454 4.334 0.034 4 0 "[ . 1 . 2]" 1
1518 1 96 ASP HA 1 99 TRP HB3 . . 3.510 3.199 2.440 3.722 0.212 4 0 "[ . 1 . 2]" 1
1519 1 96 ASP HA 1 99 TRP HD1 . . 4.510 4.542 3.808 5.192 0.682 17 3 "[ -. 1 . + *2]" 1
1520 1 96 ASP HA 1 100 ALA H . . 4.490 4.299 3.875 4.565 0.075 5 0 "[ . 1 . 2]" 1
1521 1 96 ASP HB2 1 97 GLN H . . 4.090 3.565 2.617 4.083 . 0 0 "[ . 1 . 2]" 1
1522 1 96 ASP HB3 1 97 GLN H . . 3.740 2.925 2.428 3.831 0.091 17 0 "[ . 1 . 2]" 1
1523 1 96 ASP HB3 1 97 GLN QB . . 5.120 4.098 3.555 5.394 0.274 17 0 "[ . 1 . 2]" 1
1524 1 97 GLN H 1 97 GLN QB . . 2.950 2.170 2.018 2.296 . 0 0 "[ . 1 . 2]" 1
1525 1 97 GLN H 1 97 GLN QG . . 4.070 3.969 3.795 4.068 . 0 0 "[ . 1 . 2]" 1
1526 1 97 GLN H 1 98 LEU H . . 3.320 2.568 2.279 2.865 . 0 0 "[ . 1 . 2]" 1
1527 1 97 GLN H 1 98 LEU QD . . 5.500 4.090 3.682 4.452 . 0 0 "[ . 1 . 2]" 1
1528 1 97 GLN H 1 99 TRP H . . 4.580 3.997 3.775 4.443 . 0 0 "[ . 1 . 2]" 1
1529 1 97 GLN HA 1 97 GLN QE . . 3.850 2.936 1.980 3.773 . 0 0 "[ . 1 . 2]" 1
1530 1 97 GLN HA 1 97 GLN QG . . 3.240 3.020 2.327 3.244 0.004 3 0 "[ . 1 . 2]" 1
1531 1 97 GLN HA 1 99 TRP H . . 5.500 4.448 4.205 4.707 . 0 0 "[ . 1 . 2]" 1
1532 1 97 GLN HA 1 100 ALA H . . 3.970 3.735 3.378 3.971 0.001 3 0 "[ . 1 . 2]" 1
1533 1 97 GLN HA 1 100 ALA MB . . 3.180 3.001 2.648 3.254 0.074 7 0 "[ . 1 . 2]" 1
1534 1 97 GLN HA 1 101 ASP H . . 4.840 4.349 3.894 4.842 0.002 3 0 "[ . 1 . 2]" 1
1535 1 97 GLN QB 1 98 LEU H . . 3.660 2.381 2.131 2.607 . 0 0 "[ . 1 . 2]" 1
1536 1 97 GLN QB 1 98 LEU QD . . 5.500 2.997 2.310 3.703 . 0 0 "[ . 1 . 2]" 1
1537 1 97 GLN QE 1 98 LEU HA . . 5.500 4.173 2.806 5.340 . 0 0 "[ . 1 . 2]" 1
1538 1 97 GLN QE 1 98 LEU QD . . 4.910 4.228 2.675 5.033 0.123 4 0 "[ . 1 . 2]" 1
1539 1 97 GLN QE 1 100 ALA MB . . 5.030 3.296 2.514 4.222 . 0 0 "[ . 1 . 2]" 1
1540 1 97 GLN QE 1 101 ASP H . . 5.390 3.682 2.804 4.601 . 0 0 "[ . 1 . 2]" 1
1541 1 97 GLN QG 1 98 LEU H . . 4.180 3.453 3.001 4.042 . 0 0 "[ . 1 . 2]" 1
1542 1 97 GLN QG 1 98 LEU HA . . 5.090 3.714 3.230 4.636 . 0 0 "[ . 1 . 2]" 1
1543 1 97 GLN QG 1 98 LEU QD . . 4.810 3.061 2.558 4.094 . 0 0 "[ . 1 . 2]" 1
1544 1 98 LEU H 1 98 LEU HB2 . . 3.430 2.405 2.097 2.709 . 0 0 "[ . 1 . 2]" 1
1545 1 98 LEU H 1 98 LEU HB3 . . 3.710 3.540 3.430 3.705 . 0 0 "[ . 1 . 2]" 1
1546 1 98 LEU H 1 98 LEU QD . . 3.720 2.507 2.083 2.968 . 0 0 "[ . 1 . 2]" 1
1547 1 98 LEU H 1 99 TRP H . . 3.560 2.758 2.584 3.006 . 0 0 "[ . 1 . 2]" 1
1548 1 98 LEU H 1 100 ALA H . . 4.890 4.430 4.145 4.651 . 0 0 "[ . 1 . 2]" 1
1549 1 98 LEU HA 1 98 LEU QD . . 2.830 2.151 2.059 2.318 . 0 0 "[ . 1 . 2]" 1
1550 1 98 LEU HA 1 98 LEU HG . . 3.710 3.026 2.662 3.473 . 0 0 "[ . 1 . 2]" 1
1551 1 98 LEU HA 1 100 ALA MB . . 5.200 5.099 4.798 5.268 0.068 7 0 "[ . 1 . 2]" 1
1552 1 98 LEU HA 1 101 ASP H . . 3.930 3.523 3.272 3.850 . 0 0 "[ . 1 . 2]" 1
1553 1 98 LEU HA 1 101 ASP HB2 . . 3.510 2.973 2.345 3.758 0.248 13 0 "[ . 1 . 2]" 1
1554 1 98 LEU HA 1 101 ASP HB3 . . 3.820 3.053 2.364 3.887 0.067 18 0 "[ . 1 . 2]" 1
1555 1 98 LEU HA 1 102 TYR H . . 4.830 4.001 3.864 4.334 . 0 0 "[ . 1 . 2]" 1
1556 1 98 LEU HB2 1 99 TRP H . . 3.950 2.668 2.462 3.028 . 0 0 "[ . 1 . 2]" 1
1557 1 98 LEU HB2 1 102 TYR QD . . 4.600 4.606 3.795 5.069 0.469 5 0 "[ . 1 . 2]" 1
1558 1 98 LEU HB3 1 99 TRP H . . 4.040 3.479 2.899 3.899 . 0 0 "[ . 1 . 2]" 1
1559 1 98 LEU HB3 1 102 TYR QD . . 5.010 3.312 2.711 3.925 . 0 0 "[ . 1 . 2]" 1
1560 1 98 LEU QD 1 99 TRP H . . 4.840 3.947 3.671 4.101 . 0 0 "[ . 1 . 2]" 1
1561 1 98 LEU QD 1 101 ASP H . . 5.500 4.909 4.690 5.236 . 0 0 "[ . 1 . 2]" 1
1562 1 98 LEU QD 1 101 ASP HB2 . . 4.410 4.134 3.749 4.733 0.323 13 0 "[ . 1 . 2]" 1
1563 1 98 LEU QD 1 101 ASP HB3 . . 5.180 4.245 3.818 4.887 . 0 0 "[ . 1 . 2]" 1
1564 1 98 LEU QD 1 102 TYR H . . 5.500 5.209 5.023 5.306 . 0 0 "[ . 1 . 2]" 1
1565 1 98 LEU HG 1 99 TRP H . . 5.090 4.738 4.115 5.157 0.067 9 0 "[ . 1 . 2]" 1
1566 1 99 TRP H 1 99 TRP HB3 . . 3.140 2.529 2.430 2.639 . 0 0 "[ . 1 . 2]" 1
1567 1 99 TRP H 1 99 TRP HD1 . . 5.500 5.039 4.934 5.132 . 0 0 "[ . 1 . 2]" 1
1568 1 99 TRP H 1 99 TRP HE3 . . 4.700 4.557 4.407 4.713 0.013 2 0 "[ . 1 . 2]" 1
1569 1 99 TRP H 1 100 ALA H . . 3.450 2.715 2.598 2.917 . 0 0 "[ . 1 . 2]" 1
1570 1 99 TRP H 1 100 ALA MB . . 4.640 4.322 4.167 4.520 . 0 0 "[ . 1 . 2]" 1
1571 1 99 TRP H 1 101 ASP H . . 5.160 3.995 3.730 4.158 . 0 0 "[ . 1 . 2]" 1
1572 1 99 TRP H 1 102 TYR H . . 5.500 4.666 4.536 4.884 . 0 0 "[ . 1 . 2]" 1
1573 1 99 TRP HA 1 99 TRP HE3 . . 3.130 2.175 2.026 2.293 . 0 0 "[ . 1 . 2]" 1
1574 1 99 TRP HA 1 101 ASP H . . 5.160 4.285 3.820 4.439 . 0 0 "[ . 1 . 2]" 1
1575 1 99 TRP HA 1 102 TYR H . . 3.930 3.341 3.019 3.524 . 0 0 "[ . 1 . 2]" 1
1576 1 99 TRP HA 1 102 TYR HB2 . . 4.270 2.577 2.252 2.914 . 0 0 "[ . 1 . 2]" 1
1577 1 99 TRP HA 1 102 TYR HB3 . . 3.900 3.941 3.204 4.326 0.426 8 0 "[ . 1 . 2]" 1
1578 1 99 TRP HA 1 102 TYR QD . . 4.340 3.415 2.753 3.859 . 0 0 "[ . 1 . 2]" 1
1579 1 99 TRP HA 1 103 LEU H . . 4.800 4.025 3.682 4.310 . 0 0 "[ . 1 . 2]" 1
1580 1 99 TRP HB3 1 99 TRP HD1 . . 3.040 2.536 2.472 2.593 . 0 0 "[ . 1 . 2]" 1
1581 1 99 TRP HB3 1 99 TRP HE1 . . 5.160 4.750 4.707 4.793 . 0 0 "[ . 1 . 2]" 1
1582 1 99 TRP HB3 1 100 ALA H . . 3.410 2.570 2.345 2.857 . 0 0 "[ . 1 . 2]" 1
1583 1 99 TRP HB3 1 100 ALA MB . . 4.710 3.984 3.746 4.278 . 0 0 "[ . 1 . 2]" 1
1584 1 99 TRP HD1 1 100 ALA H . . 4.400 4.203 3.846 4.425 0.025 16 0 "[ . 1 . 2]" 1
1585 1 99 TRP HD1 1 100 ALA HA . . 4.500 4.452 4.106 4.550 0.050 20 0 "[ . 1 . 2]" 1
1586 1 99 TRP HD1 1 100 ALA MB . . 5.020 4.518 4.094 4.810 . 0 0 "[ . 1 . 2]" 1
1587 1 99 TRP HD1 1 103 LEU QD . . 3.280 2.904 2.641 3.184 . 0 0 "[ . 1 . 2]" 1
1588 1 99 TRP HE1 1 103 LEU QD . . 3.490 2.511 2.219 2.825 . 0 0 "[ . 1 . 2]" 1
1589 1 99 TRP HE1 1 103 LEU HG . . 5.480 4.515 3.442 5.160 . 0 0 "[ . 1 . 2]" 1
1590 1 99 TRP HE3 1 102 TYR H . . 5.130 4.926 4.551 5.175 0.045 12 0 "[ . 1 . 2]" 1
1591 1 99 TRP HE3 1 102 TYR HB2 . . 5.200 3.228 2.824 3.691 . 0 0 "[ . 1 . 2]" 1
1592 1 99 TRP HE3 1 102 TYR HB3 . . 4.220 3.839 3.137 4.458 0.238 8 0 "[ . 1 . 2]" 1
1593 1 99 TRP HE3 1 102 TYR QD . . 3.860 3.675 3.058 3.926 0.066 8 0 "[ . 1 . 2]" 1
1594 1 99 TRP HH2 1 103 LEU QD . . 5.050 3.799 3.403 4.211 . 0 0 "[ . 1 . 2]" 1
1595 1 99 TRP HH2 1 113 ARG QD . . 4.480 2.765 1.957 3.631 . 0 0 "[ . 1 . 2]" 1
1596 1 99 TRP HH2 1 113 ARG HE . . 3.970 3.165 2.264 4.029 0.059 7 0 "[ . 1 . 2]" 1
1597 1 99 TRP HZ2 1 103 LEU QD . . 3.530 2.891 2.439 3.180 . 0 0 "[ . 1 . 2]" 1
1598 1 99 TRP HZ2 1 103 LEU HG . . 5.500 5.003 3.834 5.570 0.070 5 0 "[ . 1 . 2]" 1
1599 1 99 TRP HZ2 1 113 ARG QD . . 4.020 3.331 2.544 3.848 . 0 0 "[ . 1 . 2]" 1
1600 1 99 TRP HZ2 1 113 ARG HE . . 4.460 3.370 2.655 4.426 . 0 0 "[ . 1 . 2]" 1
1601 1 100 ALA H 1 100 ALA MB . . 2.800 2.195 2.124 2.277 . 0 0 "[ . 1 . 2]" 1
1602 1 100 ALA H 1 101 ASP H . . 3.360 2.703 2.532 2.893 . 0 0 "[ . 1 . 2]" 1
1603 1 100 ALA H 1 103 LEU QD . . 5.500 3.896 3.585 4.313 . 0 0 "[ . 1 . 2]" 1
1604 1 100 ALA HA 1 102 TYR H . . 5.420 4.715 4.514 4.909 . 0 0 "[ . 1 . 2]" 1
1605 1 100 ALA HA 1 103 LEU H . . 3.890 3.419 3.137 3.579 . 0 0 "[ . 1 . 2]" 1
1606 1 100 ALA HA 1 103 LEU HA . . 5.500 5.354 5.099 5.556 0.056 13 0 "[ . 1 . 2]" 1
1607 1 100 ALA HA 1 103 LEU HB2 . . 4.260 2.569 2.161 2.849 . 0 0 "[ . 1 . 2]" 1
1608 1 100 ALA HA 1 103 LEU HB3 . . 4.380 4.145 3.604 4.434 0.054 4 0 "[ . 1 . 2]" 1
1609 1 100 ALA HA 1 103 LEU QD . . 3.470 2.270 2.167 2.366 . 0 0 "[ . 1 . 2]" 1
1610 1 100 ALA HA 1 103 LEU HG . . 4.600 4.070 3.501 4.662 0.062 12 0 "[ . 1 . 2]" 1
1611 1 100 ALA HA 1 104 ALA H . . 4.820 4.264 3.932 4.821 0.001 5 0 "[ . 1 . 2]" 1
1612 1 100 ALA MB 1 101 ASP H . . 3.210 2.639 2.408 3.019 . 0 0 "[ . 1 . 2]" 1
1613 1 100 ALA MB 1 101 ASP HA . . 4.330 4.007 3.796 4.200 . 0 0 "[ . 1 . 2]" 1
1614 1 100 ALA MB 1 102 TYR H . . 4.280 4.782 4.598 5.037 0.757 9 10 "[ *** *+-** *. *2]" 1
1615 1 101 ASP H 1 101 ASP HB2 . . 3.270 2.292 2.054 2.586 . 0 0 "[ . 1 . 2]" 1
1616 1 101 ASP H 1 101 ASP HB3 . . 3.590 2.861 2.346 3.564 . 0 0 "[ . 1 . 2]" 1
1617 1 101 ASP H 1 102 TYR H . . 3.480 2.773 2.457 2.930 . 0 0 "[ . 1 . 2]" 1
1618 1 101 ASP H 1 104 ALA H . . 5.500 4.793 4.496 5.114 . 0 0 "[ . 1 . 2]" 1
1619 1 101 ASP HA 1 104 ALA H . . 3.740 3.522 3.259 3.787 0.047 6 0 "[ . 1 . 2]" 1
1620 1 101 ASP HA 1 104 ALA MB . . 3.170 2.880 2.614 3.246 0.076 5 0 "[ . 1 . 2]" 1
1621 1 101 ASP HB3 1 102 TYR H . . 4.130 2.602 2.233 3.227 . 0 0 "[ . 1 . 2]" 1
1622 1 101 ASP HB3 1 104 ALA MB . . 5.500 5.057 4.364 5.581 0.081 1 0 "[ . 1 . 2]" 1
1623 1 102 TYR H 1 102 TYR HB2 . . 3.430 2.169 2.060 2.239 . 0 0 "[ . 1 . 2]" 1
1624 1 102 TYR H 1 102 TYR HB3 . . 3.340 3.437 3.284 3.476 0.136 10 0 "[ . 1 . 2]" 1
1625 1 102 TYR H 1 102 TYR QD . . 5.050 3.363 2.997 3.770 . 0 0 "[ . 1 . 2]" 1
1626 1 102 TYR HA 1 104 ALA H . . 5.050 4.271 3.919 4.657 . 0 0 "[ . 1 . 2]" 1
1627 1 102 TYR HA 1 104 ALA MB . . 5.330 4.770 4.549 5.123 . 0 0 "[ . 1 . 2]" 1
1628 1 102 TYR HA 1 105 GLU H . . 4.080 3.275 2.860 3.637 . 0 0 "[ . 1 . 2]" 1
1629 1 102 TYR HA 1 105 GLU HB2 . . 3.740 2.376 2.131 2.666 . 0 0 "[ . 1 . 2]" 1
1630 1 102 TYR HA 1 105 GLU HB3 . . 4.010 3.913 3.370 4.073 0.063 3 0 "[ . 1 . 2]" 1
1631 1 102 TYR HA 1 105 GLU HG2 . . 4.600 4.306 3.444 5.128 0.528 13 1 "[ . 1 + . 2]" 1
1632 1 102 TYR HA 1 106 LEU H . . 4.380 3.986 3.757 4.140 . 0 0 "[ . 1 . 2]" 1
1633 1 102 TYR HB3 1 103 LEU H . . 3.780 3.430 3.157 3.518 . 0 0 "[ . 1 . 2]" 1
1634 1 102 TYR QD 1 103 LEU H . . 5.500 4.755 4.566 4.856 . 0 0 "[ . 1 . 2]" 1
1635 1 103 LEU H 1 103 LEU HB2 . . 3.520 2.342 2.193 2.504 . 0 0 "[ . 1 . 2]" 1
1636 1 103 LEU H 1 103 LEU HB3 . . 3.860 3.584 3.482 3.690 . 0 0 "[ . 1 . 2]" 1
1637 1 103 LEU H 1 103 LEU QD . . 3.500 2.778 2.332 3.256 . 0 0 "[ . 1 . 2]" 1
1638 1 103 LEU H 1 104 ALA H . . 2.980 2.685 2.473 2.851 . 0 0 "[ . 1 . 2]" 1
1639 1 103 LEU H 1 104 ALA MB . . 5.430 4.360 4.115 4.593 . 0 0 "[ . 1 . 2]" 1
1640 1 103 LEU HA 1 103 LEU QD . . 2.830 2.073 1.983 2.158 . 0 0 "[ . 1 . 2]" 1
1641 1 103 LEU HA 1 103 LEU HG . . 3.910 3.194 2.740 3.741 . 0 0 "[ . 1 . 2]" 1
1642 1 103 LEU HA 1 104 ALA HA . . 4.990 4.790 4.721 4.850 . 0 0 "[ . 1 . 2]" 1
1643 1 103 LEU HA 1 105 GLU H . . 5.500 4.627 4.360 4.843 . 0 0 "[ . 1 . 2]" 1
1644 1 103 LEU HA 1 106 LEU H . . 4.130 3.440 3.244 3.738 . 0 0 "[ . 1 . 2]" 1
1645 1 103 LEU HA 1 106 LEU HB2 . . 4.370 3.031 2.441 3.834 . 0 0 "[ . 1 . 2]" 1
1646 1 103 LEU HA 1 106 LEU HB3 . . 3.790 3.458 2.662 3.952 0.162 10 0 "[ . 1 . 2]" 1
1647 1 103 LEU HA 1 106 LEU QD . . 4.800 4.002 3.489 4.452 . 0 0 "[ . 1 . 2]" 1
1648 1 103 LEU HA 1 107 ALA H . . 4.710 4.136 3.908 4.567 . 0 0 "[ . 1 . 2]" 1
1649 1 103 LEU HB2 1 103 LEU QD . . 3.120 2.242 2.131 2.394 . 0 0 "[ . 1 . 2]" 1
1650 1 103 LEU HB2 1 104 ALA H . . 3.640 2.740 2.564 3.060 . 0 0 "[ . 1 . 2]" 1
1651 1 103 LEU HB3 1 104 ALA H . . 4.300 3.371 3.071 3.611 . 0 0 "[ . 1 . 2]" 1
1652 1 103 LEU HB3 1 104 ALA HA . . 5.120 4.066 3.893 4.266 . 0 0 "[ . 1 . 2]" 1
1653 1 103 LEU HB3 1 104 ALA MB . . 4.490 4.457 4.165 4.579 0.089 2 0 "[ . 1 . 2]" 1
1654 1 103 LEU QD 1 104 ALA H . . 4.470 4.057 3.927 4.151 . 0 0 "[ . 1 . 2]" 1
1655 1 103 LEU QD 1 113 ARG QD . . 4.170 3.052 2.320 3.796 . 0 0 "[ . 1 . 2]" 1
1656 1 103 LEU QD 1 113 ARG HE . . 5.250 2.963 1.669 4.845 . 0 0 "[ . 1 . 2]" 1
1657 1 104 ALA H 1 104 ALA MB . . 2.800 2.237 2.186 2.321 . 0 0 "[ . 1 . 2]" 1
1658 1 104 ALA H 1 105 GLU H . . 3.270 2.718 2.465 2.907 . 0 0 "[ . 1 . 2]" 1
1659 1 104 ALA H 1 105 GLU HB2 . . 5.400 4.529 4.246 4.808 . 0 0 "[ . 1 . 2]" 1
1660 1 104 ALA H 1 106 LEU H . . 4.750 4.269 4.136 4.481 . 0 0 "[ . 1 . 2]" 1
1661 1 104 ALA HA 1 106 LEU H . . 4.720 4.619 4.447 4.739 0.019 20 0 "[ . 1 . 2]" 1
1662 1 104 ALA MB 1 105 GLU H . . 3.170 2.478 2.307 2.687 . 0 0 "[ . 1 . 2]" 1
1663 1 104 ALA MB 1 105 GLU HA . . 3.930 3.953 3.842 4.001 0.071 19 0 "[ . 1 . 2]" 1
1664 1 104 ALA MB 1 105 GLU HB3 . . 5.500 5.385 5.270 5.538 0.038 4 0 "[ . 1 . 2]" 1
1665 1 104 ALA MB 1 105 GLU HG2 . . 4.890 3.963 3.529 4.568 . 0 0 "[ . 1 . 2]" 1
1666 1 105 GLU H 1 105 GLU HB2 . . 3.220 2.258 1.998 2.459 . 0 0 "[ . 1 . 2]" 1
1667 1 105 GLU H 1 105 GLU HB3 . . 3.350 3.517 3.341 3.589 0.239 14 0 "[ . 1 . 2]" 1
1668 1 105 GLU H 1 105 GLU HG2 . . 3.530 2.917 2.318 3.467 . 0 0 "[ . 1 . 2]" 1
1669 1 105 GLU H 1 105 GLU HG3 . . 3.400 3.321 2.646 3.598 0.198 9 0 "[ . 1 . 2]" 1
1670 1 105 GLU H 1 106 LEU H . . 3.420 2.968 2.818 3.076 . 0 0 "[ . 1 . 2]" 1
1671 1 105 GLU H 1 106 LEU HA . . 5.500 5.517 5.422 5.571 0.071 20 0 "[ . 1 . 2]" 1
1672 1 105 GLU H 1 107 ALA H . . 4.480 4.177 3.931 4.413 . 0 0 "[ . 1 . 2]" 1
1673 1 105 GLU HA 1 105 GLU HG2 . . 3.520 2.364 2.204 2.635 . 0 0 "[ . 1 . 2]" 1
1674 1 105 GLU HA 1 105 GLU HG3 . . 3.550 3.526 3.106 3.623 0.073 20 0 "[ . 1 . 2]" 1
1675 1 105 GLU HA 1 107 ALA H . . 4.450 4.304 3.733 4.460 0.010 17 0 "[ . 1 . 2]" 1
1676 1 105 GLU HA 1 109 ALA H . . 5.120 3.778 3.365 4.129 . 0 0 "[ . 1 . 2]" 1
1677 1 105 GLU HA 1 109 ALA MB . . 4.980 4.104 3.524 4.439 . 0 0 "[ . 1 . 2]" 1
1678 1 105 GLU HB2 1 105 GLU HG2 . . 2.880 2.768 2.587 3.022 0.142 14 0 "[ . 1 . 2]" 1
1679 1 105 GLU HB2 1 106 LEU H . . 3.730 2.660 2.464 2.904 . 0 0 "[ . 1 . 2]" 1
1680 1 105 GLU HB2 1 107 ALA H . . 5.500 4.959 4.658 5.262 . 0 0 "[ . 1 . 2]" 1
1681 1 105 GLU HB3 1 106 LEU H . . 3.930 3.147 2.815 3.510 . 0 0 "[ . 1 . 2]" 1
1682 1 105 GLU HB3 1 106 LEU HA . . 4.850 4.093 3.917 4.318 . 0 0 "[ . 1 . 2]" 1
1683 1 105 GLU HB3 1 107 ALA H . . 5.500 5.205 4.798 5.483 . 0 0 "[ . 1 . 2]" 1
1684 1 105 GLU HG2 1 106 LEU H . . 4.960 4.795 4.533 5.122 0.162 12 0 "[ . 1 . 2]" 1
1685 1 106 LEU H 1 106 LEU HB2 . . 3.620 2.180 2.049 2.463 . 0 0 "[ . 1 . 2]" 1
1686 1 106 LEU H 1 106 LEU HB3 . . 3.310 3.066 2.234 3.477 0.167 15 0 "[ . 1 . 2]" 1
1687 1 106 LEU H 1 106 LEU QD . . 3.730 3.083 2.741 3.553 . 0 0 "[ . 1 . 2]" 1
1688 1 106 LEU H 1 107 ALA H . . 3.470 2.705 2.455 2.845 . 0 0 "[ . 1 . 2]" 1
1689 1 106 LEU H 1 107 ALA MB . . 4.540 4.348 4.077 4.552 0.012 2 0 "[ . 1 . 2]" 1
1690 1 106 LEU H 1 108 SER H . . 5.240 4.285 3.972 4.686 . 0 0 "[ . 1 . 2]" 1
1691 1 106 LEU H 1 109 ALA MB . . 5.500 4.702 4.472 4.891 . 0 0 "[ . 1 . 2]" 1
1692 1 106 LEU HA 1 106 LEU QD . . 3.100 1.964 1.883 2.145 . 0 0 "[ . 1 . 2]" 1
1693 1 106 LEU HA 1 106 LEU HG . . 3.540 3.685 3.604 3.824 0.284 20 0 "[ . 1 . 2]" 1
1694 1 106 LEU HA 1 108 SER H . . 5.450 4.355 3.679 4.866 . 0 0 "[ . 1 . 2]" 1
1695 1 106 LEU HA 1 109 ALA H . . 4.260 3.631 3.188 3.946 . 0 0 "[ . 1 . 2]" 1
1696 1 106 LEU HA 1 109 ALA MB . . 3.240 2.854 2.530 3.332 0.092 5 0 "[ . 1 . 2]" 1
1697 1 106 LEU HA 1 110 GLY H . . 5.200 4.704 4.271 5.093 . 0 0 "[ . 1 . 2]" 1
1698 1 106 LEU HA 1 111 LYS H . . 4.270 3.928 3.827 3.951 . 0 0 "[ . 1 . 2]" 1
1699 1 106 LEU HA 1 111 LYS HB2 . . 4.400 3.784 3.434 4.079 . 0 0 "[ . 1 . 2]" 1
1700 1 106 LEU HB2 1 106 LEU QD . . 3.190 2.269 2.089 2.398 . 0 0 "[ . 1 . 2]" 1
1701 1 106 LEU HB2 1 106 LEU HG . . 2.930 2.539 2.312 2.691 . 0 0 "[ . 1 . 2]" 1
1702 1 106 LEU HB2 1 107 ALA H . . 3.790 3.526 3.068 3.902 0.112 4 0 "[ . 1 . 2]" 1
1703 1 106 LEU HB3 1 107 ALA H . . 3.840 3.091 2.602 3.865 0.025 9 0 "[ . 1 . 2]" 1
1704 1 106 LEU QD 1 107 ALA H . . 4.840 3.830 2.978 4.221 . 0 0 "[ . 1 . 2]" 1
1705 1 106 LEU QD 1 107 ALA HA . . 5.500 4.086 2.803 4.763 . 0 0 "[ . 1 . 2]" 1
1706 1 106 LEU QD 1 109 ALA MB . . 4.190 3.130 2.633 3.773 . 0 0 "[ . 1 . 2]" 1
1707 1 106 LEU QD 1 110 GLY H . . 5.500 4.496 3.863 4.989 . 0 0 "[ . 1 . 2]" 1
1708 1 106 LEU QD 1 111 LYS H . . 4.610 2.970 2.570 3.446 . 0 0 "[ . 1 . 2]" 1
1709 1 106 LEU QD 1 111 LYS HA . . 4.770 3.905 3.691 4.131 . 0 0 "[ . 1 . 2]" 1
1710 1 106 LEU QD 1 111 LYS HB2 . . 3.760 2.042 1.964 2.146 . 0 0 "[ . 1 . 2]" 1
1711 1 106 LEU QD 1 112 SER H . . 4.330 2.920 2.752 3.110 . 0 0 "[ . 1 . 2]" 1
1712 1 106 LEU QD 1 112 SER HA . . 3.520 2.257 1.963 2.687 . 0 0 "[ . 1 . 2]" 1
1713 1 106 LEU QD 1 113 ARG H . . 4.400 3.053 2.369 3.818 . 0 0 "[ . 1 . 2]" 1
1714 1 106 LEU QD 1 113 ARG QG . . 4.520 2.786 2.420 3.316 . 0 0 "[ . 1 . 2]" 1
1715 1 106 LEU QD 1 114 ASP H . . 5.500 4.711 4.317 5.076 . 0 0 "[ . 1 . 2]" 1
1716 1 106 LEU HG 1 112 SER HA . . 3.250 3.688 3.041 4.241 0.991 2 9 "[ + * -*1*** . * *]" 1
1717 1 106 LEU HG 1 113 ARG H . . 3.770 3.459 2.417 3.841 0.071 13 0 "[ . 1 . 2]" 1
1718 1 106 LEU HG 1 113 ARG HA . . 3.890 3.632 3.063 3.953 0.063 7 0 "[ . 1 . 2]" 1
1719 1 106 LEU HG 1 113 ARG QB . . 5.200 4.191 2.767 4.780 . 0 0 "[ . 1 . 2]" 1
1720 1 106 LEU HG 1 113 ARG QG . . 3.500 2.322 1.989 2.907 . 0 0 "[ . 1 . 2]" 1
1721 1 107 ALA H 1 107 ALA MB . . 2.760 2.242 2.156 2.394 . 0 0 "[ . 1 . 2]" 1
1722 1 107 ALA H 1 108 SER H . . 3.340 2.548 2.052 2.800 . 0 0 "[ . 1 . 2]" 1
1723 1 107 ALA H 1 109 ALA H . . 4.160 4.071 3.695 4.167 0.007 1 0 "[ . 1 . 2]" 1
1724 1 107 ALA HA 1 110 GLY H . . 4.320 4.141 3.398 4.923 0.603 1 1 "[+ . 1 . 2]" 1
1725 1 107 ALA HA 1 111 LYS H . . 4.590 4.714 3.903 5.640 1.050 5 6 "[- * + *1 * .* 2]" 1
1726 1 107 ALA MB 1 108 SER H . . 3.100 2.615 2.089 3.176 0.076 9 0 "[ . 1 . 2]" 1
1727 1 107 ALA MB 1 108 SER HA . . 4.410 3.893 3.596 4.193 . 0 0 "[ . 1 . 2]" 1
1728 1 107 ALA MB 1 108 SER QB . . 4.400 3.696 3.199 4.020 . 0 0 "[ . 1 . 2]" 1
1729 1 107 ALA MB 1 109 ALA H . . 4.840 4.636 4.365 4.863 0.023 9 0 "[ . 1 . 2]" 1
1730 1 107 ALA MB 1 110 GLY H . . 5.290 4.943 4.465 5.341 0.051 16 0 "[ . 1 . 2]" 1
1731 1 108 SER H 1 108 SER QB . . 2.840 2.297 2.111 2.713 . 0 0 "[ . 1 . 2]" 1
1732 1 108 SER H 1 109 ALA H . . 3.200 2.515 2.005 2.851 . 0 0 "[ . 1 . 2]" 1
1733 1 108 SER H 1 109 ALA MB . . 4.640 4.184 3.651 4.547 . 0 0 "[ . 1 . 2]" 1
1734 1 108 SER H 1 110 GLY H . . 4.570 3.999 3.547 4.495 . 0 0 "[ . 1 . 2]" 1
1735 1 108 SER HA 1 108 SER QB . . 2.550 2.374 2.157 2.459 . 0 0 "[ . 1 . 2]" 1
1736 1 108 SER HA 1 109 ALA MB . . 5.250 5.044 4.998 5.110 . 0 0 "[ . 1 . 2]" 1
1737 1 108 SER QB 1 109 ALA H . . 3.350 2.687 2.292 3.078 . 0 0 "[ . 1 . 2]" 1
1738 1 108 SER QB 1 109 ALA HA . . 4.550 4.139 3.721 4.431 . 0 0 "[ . 1 . 2]" 1
1739 1 108 SER QB 1 109 ALA MB . . 4.270 3.896 3.482 4.176 . 0 0 "[ . 1 . 2]" 1
1740 1 109 ALA H 1 109 ALA MB . . 2.840 2.215 2.136 2.273 . 0 0 "[ . 1 . 2]" 1
1741 1 109 ALA HA 1 111 LYS H . . 5.330 4.846 4.353 5.305 . 0 0 "[ . 1 . 2]" 1
1742 1 109 ALA MB 1 110 GLY H . . 4.020 3.136 2.620 3.409 . 0 0 "[ . 1 . 2]" 1
1743 1 109 ALA MB 1 111 LYS HE3 . . 4.580 4.498 3.067 5.083 0.503 14 1 "[ . 1 +. 2]" 1
1744 1 109 ALA MB 1 111 LYS HG2 . . 3.370 2.544 2.221 2.980 . 0 0 "[ . 1 . 2]" 1
1745 1 110 GLY H 1 111 LYS H . . 3.200 2.636 2.320 2.817 . 0 0 "[ . 1 . 2]" 1
1746 1 110 GLY H 1 111 LYS HG2 . . 5.500 4.463 4.245 4.853 . 0 0 "[ . 1 . 2]" 1
1747 1 111 LYS H 1 111 LYS HB2 . . 3.260 2.793 2.586 2.975 . 0 0 "[ . 1 . 2]" 1
1748 1 111 LYS H 1 111 LYS HD3 . . 5.110 4.057 3.503 4.389 . 0 0 "[ . 1 . 2]" 1
1749 1 111 LYS H 1 111 LYS HG2 . . 3.960 2.893 2.336 3.161 . 0 0 "[ . 1 . 2]" 1
1750 1 111 LYS H 1 111 LYS HG3 . . 4.300 4.177 3.791 4.318 0.018 4 0 "[ . 1 . 2]" 1
1751 1 111 LYS H 1 112 SER H . . 4.550 4.367 4.296 4.506 . 0 0 "[ . 1 . 2]" 1
1752 1 111 LYS HA 1 111 LYS HD2 . . 3.820 3.153 2.722 3.702 . 0 0 "[ . 1 . 2]" 1
1753 1 111 LYS HA 1 111 LYS HD3 . . 3.310 2.415 2.153 2.580 . 0 0 "[ . 1 . 2]" 1
1754 1 111 LYS HA 1 111 LYS HE2 . . 4.830 4.762 4.328 5.099 0.269 2 0 "[ . 1 . 2]" 1
1755 1 111 LYS HA 1 111 LYS HE3 . . 5.160 5.006 4.871 5.194 0.034 11 0 "[ . 1 . 2]" 1
1756 1 111 LYS HA 1 111 LYS HG2 . . 3.930 3.298 3.112 3.467 . 0 0 "[ . 1 . 2]" 1
1757 1 111 LYS HA 1 112 SER H . . 3.050 2.702 2.410 2.844 . 0 0 "[ . 1 . 2]" 1
1758 1 111 LYS HA 1 112 SER HA . . 4.680 4.583 4.452 4.649 . 0 0 "[ . 1 . 2]" 1
1759 1 111 LYS HA 1 112 SER HB2 . . 4.720 4.498 4.105 4.799 0.079 14 0 "[ . 1 . 2]" 1
1760 1 111 LYS HB2 1 112 SER H . . 3.220 2.976 2.773 3.214 . 0 0 "[ . 1 . 2]" 1
1761 1 111 LYS HB2 1 112 SER HB2 . . 5.470 5.522 5.322 5.551 0.081 17 0 "[ . 1 . 2]" 1
1762 1 111 LYS HD2 1 112 SER H . . 4.900 4.224 3.872 4.768 . 0 0 "[ . 1 . 2]" 1
1763 1 111 LYS HD3 1 112 SER H . . 4.670 4.529 4.147 4.670 . 0 0 "[ . 1 . 2]" 1
1764 1 111 LYS HE2 1 111 LYS HG2 . . 3.910 2.573 2.274 3.561 . 0 0 "[ . 1 . 2]" 1
1765 1 111 LYS HE2 1 111 LYS HG3 . . 3.700 2.854 2.404 3.750 0.050 5 0 "[ . 1 . 2]" 1
1766 1 111 LYS HE3 1 111 LYS HG2 . . 3.640 3.226 2.377 3.768 0.128 2 0 "[ . 1 . 2]" 1
1767 1 111 LYS HE3 1 111 LYS HG3 . . 3.680 2.704 2.181 3.715 0.035 14 0 "[ . 1 . 2]" 1
1768 1 111 LYS HG2 1 112 SER H . . 4.920 4.830 4.734 4.912 . 0 0 "[ . 1 . 2]" 1
1769 1 111 LYS HG3 1 112 SER H . . 4.920 4.588 4.380 4.764 . 0 0 "[ . 1 . 2]" 1
1770 1 112 SER H 1 112 SER HB2 . . 3.340 2.726 2.480 3.210 . 0 0 "[ . 1 . 2]" 1
1771 1 112 SER H 1 112 SER HB3 . . 3.930 3.760 2.901 3.915 . 0 0 "[ . 1 . 2]" 1
1772 1 112 SER H 1 113 ARG H . . 5.050 4.385 4.176 4.498 . 0 0 "[ . 1 . 2]" 1
1773 1 112 SER H 1 117 GLU H . . 5.500 5.462 4.672 6.027 0.527 8 2 "[ .- + 1 . 2]" 1
1774 1 112 SER HA 1 112 SER HB3 . . 2.910 2.523 2.338 2.971 0.061 7 0 "[ . 1 . 2]" 1
1775 1 112 SER HA 1 113 ARG H . . 3.110 2.246 2.062 2.422 . 0 0 "[ . 1 . 2]" 1
1776 1 112 SER HA 1 113 ARG QB . . 4.530 4.554 4.391 4.678 0.148 14 0 "[ . 1 . 2]" 1
1777 1 112 SER HA 1 113 ARG QG . . 4.450 3.801 3.439 4.118 . 0 0 "[ . 1 . 2]" 1
1778 1 112 SER HB2 1 113 ARG H . . 4.360 3.810 3.570 3.981 . 0 0 "[ . 1 . 2]" 1
1779 1 112 SER HB2 1 114 ASP H . . 3.700 3.464 2.784 3.909 0.209 7 0 "[ . 1 . 2]" 1
1780 1 112 SER HB2 1 114 ASP HB2 . . 4.820 4.145 2.719 5.108 0.288 7 0 "[ . 1 . 2]" 1
1781 1 112 SER HB2 1 114 ASP HB3 . . 4.650 4.583 3.895 5.132 0.482 7 0 "[ . 1 . 2]" 1
1782 1 112 SER HB2 1 117 GLU HB2 . . 4.040 2.613 2.079 3.146 . 0 0 "[ . 1 . 2]" 1
1783 1 112 SER HB2 1 117 GLU HB3 . . 4.380 2.748 2.017 3.357 . 0 0 "[ . 1 . 2]" 1
1784 1 112 SER HB3 1 113 ARG H . . 4.480 2.683 2.313 3.232 . 0 0 "[ . 1 . 2]" 1
1785 1 112 SER HB3 1 114 ASP H . . 4.030 2.469 2.161 2.893 . 0 0 "[ . 1 . 2]" 1
1786 1 112 SER HB3 1 114 ASP HB2 . . 5.060 3.331 2.729 3.997 . 0 0 "[ . 1 . 2]" 1
1787 1 112 SER HB3 1 117 GLU HB2 . . 4.430 2.568 2.067 3.451 . 0 0 "[ . 1 . 2]" 1
1788 1 112 SER HB3 1 117 GLU HB3 . . 4.980 2.937 2.137 4.099 . 0 0 "[ . 1 . 2]" 1
1789 1 113 ARG H 1 113 ARG QD . . 5.200 4.164 3.786 4.455 . 0 0 "[ . 1 . 2]" 1
1790 1 113 ARG H 1 113 ARG QG . . 4.410 2.330 1.926 2.670 . 0 0 "[ . 1 . 2]" 1
1791 1 113 ARG H 1 114 ASP H . . 3.270 2.516 2.278 2.714 . 0 0 "[ . 1 . 2]" 1
1792 1 113 ARG QB 1 113 ARG HE . . 4.490 3.397 2.203 4.125 . 0 0 "[ . 1 . 2]" 1
1793 1 113 ARG QB 1 114 ASP H . . 4.330 2.762 2.302 3.253 . 0 0 "[ . 1 . 2]" 1
1794 1 113 ARG QG 1 114 ASP H . . 5.500 3.963 1.939 4.392 . 0 0 "[ . 1 . 2]" 1
1795 1 114 ASP H 1 114 ASP HB2 . . 3.290 2.189 1.970 2.401 . 0 0 "[ . 1 . 2]" 1
1796 1 114 ASP H 1 117 GLU HB2 . . 5.390 3.313 2.597 4.391 . 0 0 "[ . 1 . 2]" 1
1797 1 114 ASP HA 1 115 PRO HB3 . . 4.870 4.806 4.579 4.930 0.060 17 0 "[ . 1 . 2]" 1
1798 1 114 ASP HA 1 115 PRO HD2 . . 3.220 2.510 2.354 2.718 . 0 0 "[ . 1 . 2]" 1
1799 1 114 ASP HA 1 115 PRO HD3 . . 3.320 2.290 2.088 2.387 . 0 0 "[ . 1 . 2]" 1
1800 1 114 ASP HA 1 115 PRO HG2 . . 4.530 4.583 4.521 4.606 0.076 20 0 "[ . 1 . 2]" 1
1801 1 114 ASP HA 1 115 PRO HG3 . . 4.540 4.542 4.425 4.597 0.057 8 0 "[ . 1 . 2]" 1
1802 1 114 ASP HB2 1 115 PRO HD2 . . 4.540 4.030 3.821 4.218 . 0 0 "[ . 1 . 2]" 1
1803 1 114 ASP HB2 1 115 PRO HD3 . . 4.910 4.835 4.481 4.973 0.063 9 0 "[ . 1 . 2]" 1
1804 1 114 ASP HB2 1 117 GLU HB2 . . 4.100 2.539 2.114 3.156 . 0 0 "[ . 1 . 2]" 1
1805 1 114 ASP HB2 1 117 GLU HB3 . . 4.350 3.932 2.392 4.406 0.056 2 0 "[ . 1 . 2]" 1
1806 1 114 ASP HB3 1 115 PRO HD2 . . 4.790 2.789 2.277 3.053 . 0 0 "[ . 1 . 2]" 1
1807 1 114 ASP HB3 1 116 ASP H . . 3.300 2.913 2.521 3.364 0.064 14 0 "[ . 1 . 2]" 1
1808 1 114 ASP HB3 1 117 GLU H . . 5.050 3.170 2.592 3.836 . 0 0 "[ . 1 . 2]" 1
1809 1 114 ASP HB3 1 117 GLU HB2 . . 4.260 2.651 2.190 3.617 . 0 0 "[ . 1 . 2]" 1
1810 1 115 PRO HA 1 116 ASP H . . 3.490 3.525 3.424 3.555 0.065 18 0 "[ . 1 . 2]" 1
1811 1 115 PRO HA 1 117 GLU H . . 4.790 4.698 4.418 4.805 0.015 15 0 "[ . 1 . 2]" 1
1812 1 115 PRO HB2 1 116 ASP H . . 3.890 3.458 3.109 3.735 . 0 0 "[ . 1 . 2]" 1
1813 1 115 PRO HB2 1 116 ASP HA . . 4.880 4.784 4.538 4.937 0.057 15 0 "[ . 1 . 2]" 1
1814 1 115 PRO HB3 1 116 ASP H . . 4.290 4.220 4.064 4.311 0.021 13 0 "[ . 1 . 2]" 1
1815 1 115 PRO HD2 1 116 ASP H . . 4.090 2.769 2.358 3.083 . 0 0 "[ . 1 . 2]" 1
1816 1 115 PRO HD2 1 117 GLU H . . 5.500 4.968 4.527 5.562 0.062 3 0 "[ . 1 . 2]" 1
1817 1 115 PRO HD3 1 116 ASP H . . 4.520 3.933 3.689 4.150 . 0 0 "[ . 1 . 2]" 1
1818 1 115 PRO HG2 1 116 ASP H . . 3.930 2.523 2.181 3.092 . 0 0 "[ . 1 . 2]" 1
1819 1 115 PRO HG2 1 116 ASP HA . . 4.910 5.017 4.694 5.737 0.827 11 1 "[ . 1+ . 2]" 1
1820 1 115 PRO HG3 1 116 ASP H . . 4.550 4.048 3.764 4.447 . 0 0 "[ . 1 . 2]" 1
1821 1 116 ASP H 1 116 ASP HB2 . . 3.350 3.166 2.814 3.289 . 0 0 "[ . 1 . 2]" 1
1822 1 116 ASP H 1 116 ASP HB3 . . 3.270 2.960 2.783 3.176 . 0 0 "[ . 1 . 2]" 1
1823 1 116 ASP H 1 117 GLU H . . 3.370 2.924 2.281 3.372 0.002 9 0 "[ . 1 . 2]" 1
1824 1 116 ASP HA 1 117 GLU H . . 3.110 2.544 2.287 3.139 0.029 19 0 "[ . 1 . 2]" 1
1825 1 116 ASP HB3 1 117 GLU H . . 4.650 4.440 4.174 4.538 . 0 0 "[ . 1 . 2]" 1
1826 1 117 GLU H 1 117 GLU HB2 . . 3.220 2.235 1.987 3.500 0.280 9 0 "[ . 1 . 2]" 1
1827 1 117 GLU H 1 117 GLU HB3 . . 3.550 2.838 2.179 3.477 . 0 0 "[ . 1 . 2]" 1
1828 1 117 GLU H 1 117 GLU HG2 . . 4.090 4.198 3.359 4.565 0.475 17 0 "[ . 1 . 2]" 1
1829 1 117 GLU H 1 117 GLU QG . . 4.250 3.660 2.380 3.879 . 0 0 "[ . 1 . 2]" 1
1830 1 117 GLU H 1 118 SER H . . 4.270 4.581 4.317 4.722 0.452 8 0 "[ . 1 . 2]" 1
1831 1 117 GLU HA 1 117 GLU QG . . 3.220 2.288 2.000 3.331 0.111 9 0 "[ . 1 . 2]" 1
1832 1 117 GLU HA 1 118 SER H . . 3.070 2.320 2.071 2.738 . 0 0 "[ . 1 . 2]" 1
1833 1 117 GLU HB2 1 118 SER H . . 4.490 4.193 2.785 4.474 . 0 0 "[ . 1 . 2]" 1
1834 1 117 GLU HB3 1 117 GLU QG . . 2.630 2.423 2.116 2.564 . 0 0 "[ . 1 . 2]" 1
1835 1 117 GLU HB3 1 118 SER H . . 4.530 3.592 2.645 4.286 . 0 0 "[ . 1 . 2]" 1
1836 1 117 GLU HG2 1 118 SER H . . 4.650 3.093 1.655 4.881 0.231 9 0 "[ . 1 . 2]" 1
1837 1 118 SER H 1 118 SER QB . . 3.120 2.632 2.146 3.209 0.089 15 0 "[ . 1 . 2]" 1
1838 1 118 SER H 1 119 VAL H . . 3.380 3.168 2.435 3.414 0.034 11 0 "[ . 1 . 2]" 1
1839 1 118 SER H 1 119 VAL QG . . 5.500 3.346 2.233 4.799 . 0 0 "[ . 1 . 2]" 1
1840 1 118 SER HA 1 118 SER QB . . 2.710 2.410 2.263 2.564 . 0 0 "[ . 1 . 2]" 1
1841 1 118 SER HA 1 119 VAL H . . 2.930 2.541 2.142 2.998 0.068 20 0 "[ . 1 . 2]" 1
1842 1 118 SER QB 1 119 VAL H . . 4.070 3.890 3.712 4.090 0.020 17 0 "[ . 1 . 2]" 1
1843 1 118 SER QB 1 119 VAL QG . . 4.440 4.081 2.954 4.589 0.149 9 0 "[ . 1 . 2]" 1
1844 1 119 VAL H 1 119 VAL HB . . 3.410 3.081 2.563 3.504 0.094 4 0 "[ . 1 . 2]" 1
1845 1 119 VAL H 1 119 VAL QG . . 3.960 2.369 1.760 3.234 . 0 0 "[ . 1 . 2]" 1
1846 1 119 VAL H 1 120 VAL H . . 4.360 4.030 3.045 4.316 . 0 0 "[ . 1 . 2]" 1
1847 1 119 VAL HA 1 119 VAL QG . . 3.260 2.243 2.089 2.446 . 0 0 "[ . 1 . 2]" 1
1848 1 119 VAL HA 1 120 VAL H . . 2.830 2.257 2.060 2.725 . 0 0 "[ . 1 . 2]" 1
1849 1 119 VAL QG 1 120 VAL H . . 4.040 2.953 1.974 3.829 . 0 0 "[ . 1 . 2]" 1
1850 1 119 VAL QG 1 121 LYS H . . 4.690 3.552 1.839 4.751 0.061 9 0 "[ . 1 . 2]" 1
1851 1 119 VAL QG 1 121 LYS HA . . 5.350 4.547 3.458 5.459 0.109 19 0 "[ . 1 . 2]" 1
1852 1 120 VAL H 1 120 VAL HB . . 3.490 3.171 2.351 3.557 0.067 17 0 "[ . 1 . 2]" 1
1853 1 120 VAL H 1 121 LYS H . . 4.260 3.584 2.284 4.276 0.016 5 0 "[ . 1 . 2]" 1
1854 1 120 VAL HA 1 121 LYS H . . 2.990 2.444 2.022 3.030 0.040 1 0 "[ . 1 . 2]" 1
1855 1 120 VAL HA 1 121 LYS QG . . 4.960 4.379 3.519 5.043 0.083 1 0 "[ . 1 . 2]" 1
1856 1 120 VAL HB 1 121 LYS H . . 4.960 4.316 3.739 4.614 . 0 0 "[ . 1 . 2]" 1
1857 1 121 LYS HA 1 121 LYS QE . . 4.060 4.524 3.087 5.757 1.697 5 10 "[* * +* -1** * * *]" 1
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