NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
501089 |
2l28   |
17125 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l28
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 1766
_Distance_constraint_stats_list.Viol_count 3145
_Distance_constraint_stats_list.Viol_total 2640.113
_Distance_constraint_stats_list.Viol_max 1.911
_Distance_constraint_stats_list.Viol_rms 0.0465
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0024
_Distance_constraint_stats_list.Viol_average_violations_only 0.0336
_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 1 THR 76.529 1.911 5 25 [****+********-***********]
1 2 ALA 20.164 1.070 5 21 "[****+******* -** * ** ***]"
1 3 PHE 0.127 0.018 8 0 "[ . 1 . 2 .]"
1 4 LEU 0.884 0.033 9 0 "[ . 1 . 2 .]"
1 5 TRP 0.590 0.033 9 0 "[ . 1 . 2 .]"
1 6 ALA 0.079 0.014 13 0 "[ . 1 . 2 .]"
1 7 GLN 0.272 0.015 18 0 "[ . 1 . 2 .]"
1 8 ASP 0.069 0.016 2 0 "[ . 1 . 2 .]"
1 9 ARG 1.537 0.080 22 0 "[ . 1 . 2 .]"
1 10 ASP 0.205 0.036 20 0 "[ . 1 . 2 .]"
1 11 GLY 0.192 0.010 11 0 "[ . 1 . 2 .]"
1 12 LEU 0.031 0.014 3 0 "[ . 1 . 2 .]"
1 13 ILE 0.228 0.022 9 0 "[ . 1 . 2 .]"
1 14 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 15 LYS 0.078 0.010 15 0 "[ . 1 . 2 .]"
1 23 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 24 PRO 0.005 0.003 3 0 "[ . 1 . 2 .]"
1 25 ASP 0.005 0.003 3 0 "[ . 1 . 2 .]"
1 29 TYR 0.110 0.015 6 0 "[ . 1 . 2 .]"
1 31 ARG 0.020 0.012 19 0 "[ . 1 . 2 .]"
1 32 ALA 0.002 0.002 23 0 "[ . 1 . 2 .]"
1 33 GLN 0.186 0.050 22 0 "[ . 1 . 2 .]"
1 34 THR 0.033 0.013 25 0 "[ . 1 . 2 .]"
1 35 VAL 0.073 0.052 23 0 "[ . 1 . 2 .]"
1 36 GLY 0.748 0.052 23 0 "[ . 1 . 2 .]"
1 37 LYS 0.053 0.019 17 0 "[ . 1 . 2 .]"
1 38 ILE 0.707 0.036 17 0 "[ . 1 . 2 .]"
1 39 MET 0.338 0.024 5 0 "[ . 1 . 2 .]"
1 40 VAL 0.912 0.033 23 0 "[ . 1 . 2 .]"
1 41 VAL 0.622 0.033 23 0 "[ . 1 . 2 .]"
1 42 GLY 0.282 0.023 16 0 "[ . 1 . 2 .]"
1 43 ARG 0.375 0.023 18 0 "[ . 1 . 2 .]"
1 44 ARG 0.264 0.023 16 0 "[ . 1 . 2 .]"
1 45 THR 0.157 0.021 11 0 "[ . 1 . 2 .]"
1 46 TYR 0.113 0.011 6 0 "[ . 1 . 2 .]"
1 47 GLU 0.059 0.010 22 0 "[ . 1 . 2 .]"
1 48 SER 0.004 0.004 22 0 "[ . 1 . 2 .]"
1 49 PHE 0.118 0.027 25 0 "[ . 1 . 2 .]"
1 50 PRO 0.177 0.019 24 0 "[ . 1 . 2 .]"
1 51 LYS 0.396 0.032 5 0 "[ . 1 . 2 .]"
1 52 ARG 0.058 0.025 6 0 "[ . 1 . 2 .]"
1 53 PRO 0.144 0.020 13 0 "[ . 1 . 2 .]"
1 54 LEU 0.250 0.020 15 0 "[ . 1 . 2 .]"
1 55 PRO 0.206 0.038 20 0 "[ . 1 . 2 .]"
1 56 GLU 0.892 0.043 19 0 "[ . 1 . 2 .]"
1 57 ARG 0.130 0.020 15 0 "[ . 1 . 2 .]"
1 58 THR 0.405 0.028 5 0 "[ . 1 . 2 .]"
1 59 ASN 0.209 0.020 13 0 "[ . 1 . 2 .]"
1 60 VAL 0.024 0.009 3 0 "[ . 1 . 2 .]"
1 61 VAL 0.768 0.024 19 0 "[ . 1 . 2 .]"
1 62 LEU 0.529 0.032 19 0 "[ . 1 . 2 .]"
1 63 THR 0.221 0.017 5 0 "[ . 1 . 2 .]"
1 64 HIS 0.068 0.022 13 0 "[ . 1 . 2 .]"
1 65 GLN 0.327 0.027 24 0 "[ . 1 . 2 .]"
1 66 GLU 0.010 0.005 9 0 "[ . 1 . 2 .]"
1 67 ASP 0.189 0.031 12 0 "[ . 1 . 2 .]"
1 68 TYR 0.236 0.015 23 0 "[ . 1 . 2 .]"
1 69 GLN 3.066 0.080 23 0 "[ . 1 . 2 .]"
1 70 ALA 3.194 0.080 23 0 "[ . 1 . 2 .]"
1 71 GLN 0.023 0.014 17 0 "[ . 1 . 2 .]"
1 72 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 73 ALA 0.005 0.005 9 0 "[ . 1 . 2 .]"
1 74 VAL 0.049 0.009 3 0 "[ . 1 . 2 .]"
1 75 VAL 0.520 0.034 17 0 "[ . 1 . 2 .]"
1 76 VAL 0.553 0.034 17 0 "[ . 1 . 2 .]"
1 77 HIS 0.170 0.017 14 0 "[ . 1 . 2 .]"
1 78 ASP 0.142 0.012 10 0 "[ . 1 . 2 .]"
1 79 VAL 0.066 0.012 2 0 "[ . 1 . 2 .]"
1 80 ALA 0.027 0.006 13 0 "[ . 1 . 2 .]"
1 81 ALA 0.174 0.016 19 0 "[ . 1 . 2 .]"
1 82 VAL 0.518 0.018 14 0 "[ . 1 . 2 .]"
1 83 PHE 0.116 0.012 25 0 "[ . 1 . 2 .]"
1 84 ALA 0.553 0.025 14 0 "[ . 1 . 2 .]"
1 85 TYR 0.085 0.009 17 0 "[ . 1 . 2 .]"
1 86 ALA 0.418 0.032 22 0 "[ . 1 . 2 .]"
1 87 LYS 0.950 0.036 15 0 "[ . 1 . 2 .]"
1 88 GLN 0.193 0.021 17 0 "[ . 1 . 2 .]"
1 89 HIS 0.431 0.036 17 0 "[ . 1 . 2 .]"
1 90 PRO 0.209 0.012 13 0 "[ . 1 . 2 .]"
1 91 ASP 0.075 0.017 17 0 "[ . 1 . 2 .]"
1 92 GLN 0.111 0.017 23 0 "[ . 1 . 2 .]"
1 93 GLU 0.049 0.017 23 0 "[ . 1 . 2 .]"
1 94 LEU 0.157 0.013 22 0 "[ . 1 . 2 .]"
1 95 VAL 0.240 0.023 20 0 "[ . 1 . 2 .]"
1 96 ILE 0.230 0.027 18 0 "[ . 1 . 2 .]"
1 97 ALA 0.451 0.024 5 0 "[ . 1 . 2 .]"
1 98 GLY 0.345 0.021 24 0 "[ . 1 . 2 .]"
1 99 GLY 0.004 0.004 9 0 "[ . 1 . 2 .]"
1 100 ALA 0.291 0.016 25 0 "[ . 1 . 2 .]"
1 101 GLN 0.019 0.008 24 0 "[ . 1 . 2 .]"
1 102 ILE 0.706 0.024 24 0 "[ . 1 . 2 .]"
1 103 PHE 0.433 0.021 24 0 "[ . 1 . 2 .]"
1 104 THR 0.535 0.039 5 0 "[ . 1 . 2 .]"
1 105 ALA 0.009 0.005 13 0 "[ . 1 . 2 .]"
1 106 PHE 0.313 0.018 20 0 "[ . 1 . 2 .]"
1 107 LYS 0.611 0.039 5 0 "[ . 1 . 2 .]"
1 108 ASP 0.044 0.021 24 0 "[ . 1 . 2 .]"
1 109 ASP 0.025 0.008 19 0 "[ . 1 . 2 .]"
1 110 VAL 3.036 0.619 12 1 "[ . 1 + . 2 .]"
1 111 ASP 20.787 1.867 12 11 "[ * * * * +- * * *2 * *]"
1 112 THR 32.569 1.911 5 22 "[****+******* -** **** ***]"
1 113 LEU 0.476 0.021 19 0 "[ . 1 . 2 .]"
1 114 LEU 0.257 0.020 18 0 "[ . 1 . 2 .]"
1 115 VAL 0.227 0.015 18 0 "[ . 1 . 2 .]"
1 116 THR 0.559 0.031 18 0 "[ . 1 . 2 .]"
1 117 ARG 0.268 0.018 1 0 "[ . 1 . 2 .]"
1 118 LEU 0.002 0.002 19 0 "[ . 1 . 2 .]"
1 119 ALA 0.182 0.013 15 0 "[ . 1 . 2 .]"
1 120 GLY 0.359 0.020 17 0 "[ . 1 . 2 .]"
1 121 SER 0.267 0.031 19 0 "[ . 1 . 2 .]"
1 122 PHE 0.206 0.014 7 0 "[ . 1 . 2 .]"
1 123 GLU 0.082 0.012 12 0 "[ . 1 . 2 .]"
1 124 GLY 0.045 0.010 24 0 "[ . 1 . 2 .]"
1 125 ASP 0.100 0.014 3 0 "[ . 1 . 2 .]"
1 126 THR 0.091 0.016 25 0 "[ . 1 . 2 .]"
1 127 LYS 0.255 0.055 3 0 "[ . 1 . 2 .]"
1 128 MET 0.262 0.023 12 0 "[ . 1 . 2 .]"
1 129 ILE 0.574 0.019 25 0 "[ . 1 . 2 .]"
1 130 PRO 0.148 0.015 13 0 "[ . 1 . 2 .]"
1 131 LEU 0.310 0.031 12 0 "[ . 1 . 2 .]"
1 132 ASN 0.271 0.021 4 0 "[ . 1 . 2 .]"
1 133 TRP 0.221 0.012 2 0 "[ . 1 . 2 .]"
1 134 ASP 0.130 0.032 15 0 "[ . 1 . 2 .]"
1 135 ASP 0.026 0.005 22 0 "[ . 1 . 2 .]"
1 136 PHE 0.640 0.031 12 0 "[ . 1 . 2 .]"
1 137 THR 0.809 0.050 3 0 "[ . 1 . 2 .]"
1 138 LYS 0.372 0.019 2 0 "[ . 1 . 2 .]"
1 139 VAL 0.232 0.020 7 0 "[ . 1 . 2 .]"
1 140 SER 0.082 0.025 19 0 "[ . 1 . 2 .]"
1 141 SER 0.322 0.019 2 0 "[ . 1 . 2 .]"
1 142 ARG 0.266 0.019 5 0 "[ . 1 . 2 .]"
1 143 THR 0.951 0.030 20 0 "[ . 1 . 2 .]"
1 144 VAL 0.857 0.032 11 0 "[ . 1 . 2 .]"
1 145 GLU 0.670 0.032 11 0 "[ . 1 . 2 .]"
1 146 ASP 0.250 0.014 25 0 "[ . 1 . 2 .]"
1 147 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 148 ASN 0.819 0.028 23 0 "[ . 1 . 2 .]"
1 149 PRO 0.412 0.028 23 0 "[ . 1 . 2 .]"
1 150 ALA 0.449 0.017 18 0 "[ . 1 . 2 .]"
1 151 LEU 0.678 0.020 18 0 "[ . 1 . 2 .]"
1 152 THR 1.548 0.064 13 0 "[ . 1 . 2 .]"
1 153 HIS 1.404 0.064 13 0 "[ . 1 . 2 .]"
1 154 THR 1.291 0.030 20 0 "[ . 1 . 2 .]"
1 155 TYR 0.251 0.022 7 0 "[ . 1 . 2 .]"
1 156 GLU 0.800 0.025 4 0 "[ . 1 . 2 .]"
1 157 VAL 0.103 0.025 19 0 "[ . 1 . 2 .]"
1 158 TRP 0.818 0.023 22 0 "[ . 1 . 2 .]"
1 159 GLN 0.651 0.044 10 0 "[ . 1 . 2 .]"
1 160 LYS 0.311 0.039 19 0 "[ . 1 . 2 .]"
1 161 LYS 1.034 0.050 3 0 "[ . 1 . 2 .]"
1 162 ALA 0.300 0.028 21 0 "[ . 1 . 2 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 36 GLY H 1 58 THR H 5.500 . 5.500 4.189 3.556 4.746 . 0 0 "[ . 1 . 2 .]" 1
2 1 37 LYS H 1 58 THR H 4.500 . 4.500 3.438 2.576 4.519 0.019 17 0 "[ . 1 . 2 .]" 1
3 1 39 MET H 1 58 THR H 4.500 . 4.500 4.031 3.419 4.514 0.014 22 0 "[ . 1 . 2 .]" 1
4 1 41 VAL H 1 62 LEU H 4.500 . 4.500 4.312 3.955 4.515 0.015 16 0 "[ . 1 . 2 .]" 1
5 1 4 LEU H 1 96 ILE H 4.600 . 4.600 4.574 4.267 4.627 0.027 18 0 "[ . 1 . 2 .]" 1
6 1 40 VAL H 1 97 ALA H 4.500 . 4.500 3.577 3.305 3.784 . 0 0 "[ . 1 . 2 .]" 1
7 1 42 GLY H 1 99 GLY H 4.500 . 4.500 2.497 2.053 2.974 . 0 0 "[ . 1 . 2 .]" 1
8 1 3 PHE H 1 114 LEU H 4.500 . 4.500 3.235 3.098 3.328 . 0 0 "[ . 1 . 2 .]" 1
9 1 5 TRP H 1 114 LEU H 4.600 . 4.600 4.476 4.344 4.605 0.005 18 0 "[ . 1 . 2 .]" 1
10 1 5 TRP H 1 116 THR H 4.500 . 4.500 4.375 4.204 4.489 . 0 0 "[ . 1 . 2 .]" 1
11 1 7 GLN H 1 116 THR H 4.500 . 4.500 3.114 2.837 3.389 . 0 0 "[ . 1 . 2 .]" 1
12 1 9 ARG H 1 122 PHE H 5.500 . 5.500 4.778 3.462 5.293 . 0 0 "[ . 1 . 2 .]" 1
13 1 146 ASP H 1 152 THR H 4.500 . 4.500 4.445 4.310 4.508 0.008 11 0 "[ . 1 . 2 .]" 1
14 1 144 VAL H 1 153 HIS H 4.500 . 4.500 3.119 2.735 4.472 . 0 0 "[ . 1 . 2 .]" 1
15 1 146 ASP H 1 153 HIS H 4.600 . 4.600 4.261 3.986 4.598 . 0 0 "[ . 1 . 2 .]" 1
16 1 117 ARG H 1 154 THR H 4.000 . 4.000 2.500 2.112 2.642 . 0 0 "[ . 1 . 2 .]" 1
17 1 119 ALA H 1 154 THR H 5.100 . 5.100 5.106 5.063 5.113 0.013 15 0 "[ . 1 . 2 .]" 1
18 1 144 VAL H 1 154 THR H 4.500 . 4.500 4.464 4.306 4.516 0.016 5 0 "[ . 1 . 2 .]" 1
19 1 142 ARG H 1 155 TYR H 3.500 . 3.500 2.970 2.586 3.152 . 0 0 "[ . 1 . 2 .]" 1
20 1 115 VAL H 1 156 GLU H 4.500 . 4.500 3.131 3.012 3.304 . 0 0 "[ . 1 . 2 .]" 1
21 1 142 ARG H 1 156 GLU H 5.300 . 5.300 5.144 4.809 5.311 0.011 18 0 "[ . 1 . 2 .]" 1
22 1 139 VAL H 1 157 VAL H 4.500 . 4.500 4.262 3.769 4.503 0.003 13 0 "[ . 1 . 2 .]" 1
23 1 140 SER H 1 157 VAL H 3.500 . 3.500 3.077 2.903 3.239 . 0 0 "[ . 1 . 2 .]" 1
24 1 113 LEU H 1 158 TRP H 4.500 . 4.500 2.729 2.563 2.848 . 0 0 "[ . 1 . 2 .]" 1
25 1 137 THR H 1 159 GLN H 3.500 . 3.500 2.649 2.516 2.782 . 0 0 "[ . 1 . 2 .]" 1
26 1 138 LYS H 1 159 GLN H 5.500 . 5.500 4.777 4.727 4.845 . 0 0 "[ . 1 . 2 .]" 1
27 1 139 VAL H 1 159 GLN H 4.500 . 4.500 3.734 3.458 4.096 . 0 0 "[ . 1 . 2 .]" 1
28 1 112 THR H 1 160 LYS H 4.500 . 4.500 4.118 3.863 4.471 . 0 0 "[ . 1 . 2 .]" 1
29 1 137 THR H 1 160 LYS H 5.500 . 5.500 4.406 4.296 4.481 . 0 0 "[ . 1 . 2 .]" 1
30 1 136 PHE H 1 161 LYS H 4.800 . 4.800 4.735 4.581 4.815 0.015 12 0 "[ . 1 . 2 .]" 1
31 1 137 THR H 1 161 LYS H 4.500 . 4.500 3.969 3.549 4.234 . 0 0 "[ . 1 . 2 .]" 1
32 1 2 ALA H 1 95 VAL HA 4.500 . 4.500 2.411 2.098 2.822 . 0 0 "[ . 1 . 2 .]" 1
33 1 3 PHE H 1 113 LEU HA 4.500 . 4.500 2.254 2.179 2.347 . 0 0 "[ . 1 . 2 .]" 1
34 1 4 LEU H 1 97 ALA HA 3.500 . 3.500 3.381 3.058 3.515 0.015 21 0 "[ . 1 . 2 .]" 1
35 1 5 TRP H 1 115 VAL HA 3.500 . 3.500 3.038 2.885 3.163 . 0 0 "[ . 1 . 2 .]" 1
36 1 9 ARG H 1 121 SER HA 4.500 . 4.500 3.556 3.148 3.898 . 0 0 "[ . 1 . 2 .]" 1
37 1 13 ILE H 1 127 LYS HA 4.500 . 4.500 3.072 2.258 4.147 . 0 0 "[ . 1 . 2 .]" 1
38 1 36 GLY H 1 57 ARG HA 4.500 . 4.500 2.473 1.904 4.099 . 0 0 "[ . 1 . 2 .]" 1
39 1 40 VAL H 1 96 ILE HA 4.500 . 4.500 2.558 2.325 2.793 . 0 0 "[ . 1 . 2 .]" 1
40 1 41 VAL H 1 61 VAL HA 4.500 . 4.500 3.808 3.642 4.030 . 0 0 "[ . 1 . 2 .]" 1
41 1 42 GLY H 1 98 GLY QA 4.500 . 4.500 4.170 3.869 4.506 0.006 19 0 "[ . 1 . 2 .]" 1
42 1 38 ILE HA 1 58 THR H 5.000 . 5.000 3.920 3.061 4.390 . 0 0 "[ . 1 . 2 .]" 1
43 1 61 VAL H 1 75 VAL HA 3.500 . 3.500 2.686 2.360 2.985 . 0 0 "[ . 1 . 2 .]" 1
44 1 63 THR H 1 77 HIS HA 3.500 . 3.500 2.047 1.894 2.332 . 0 0 "[ . 1 . 2 .]" 1
45 1 69 GLN H 1 75 VAL HA 6.800 . 6.800 6.692 6.478 6.786 . 0 0 "[ . 1 . 2 .]" 1
46 1 60 VAL HA 1 74 VAL H 3.500 . 3.500 2.456 2.229 2.662 . 0 0 "[ . 1 . 2 .]" 1
47 1 62 LEU HA 1 76 VAL H 4.500 . 4.500 3.323 3.125 3.510 . 0 0 "[ . 1 . 2 .]" 1
48 1 3 PHE HA 1 96 ILE H 4.500 . 4.500 3.587 3.455 3.668 . 0 0 "[ . 1 . 2 .]" 1
49 1 41 VAL HA 1 98 GLY H 5.500 . 5.500 2.837 2.427 3.181 . 0 0 "[ . 1 . 2 .]" 1
50 1 41 VAL HA 1 99 GLY H 5.500 . 5.500 4.086 3.747 4.509 . 0 0 "[ . 1 . 2 .]" 1
51 1 2 ALA HA 1 112 THR H 3.500 . 3.500 2.939 2.728 3.140 . 0 0 "[ . 1 . 2 .]" 1
52 1 4 LEU HA 1 114 LEU H 3.500 . 3.500 3.411 3.284 3.509 0.009 6 0 "[ . 1 . 2 .]" 1
53 1 5 TRP HA 1 116 THR H 5.500 . 5.500 5.404 5.229 5.463 . 0 0 "[ . 1 . 2 .]" 1
54 1 6 ALA HA 1 116 THR H 3.500 . 3.500 2.072 1.927 2.229 . 0 0 "[ . 1 . 2 .]" 1
55 1 117 ARG H 1 153 HIS HA 4.500 . 4.500 4.475 4.236 4.518 0.018 7 0 "[ . 1 . 2 .]" 1
56 1 8 ASP HA 1 118 LEU H 4.500 . 4.500 3.130 2.356 3.929 . 0 0 "[ . 1 . 2 .]" 1
57 1 120 GLY H 1 150 ALA HA 3.500 . 3.500 2.641 2.259 3.180 . 0 0 "[ . 1 . 2 .]" 1
58 1 15 LYS HA 1 125 ASP H 3.500 . 3.500 2.540 1.853 3.506 0.006 13 0 "[ . 1 . 2 .]" 1
59 1 137 THR H 1 158 TRP HA 4.500 . 4.500 4.218 4.054 4.337 . 0 0 "[ . 1 . 2 .]" 1
60 1 137 THR H 1 159 GLN HA 4.500 . 4.500 4.428 4.326 4.504 0.004 24 0 "[ . 1 . 2 .]" 1
61 1 137 THR H 1 160 LYS HA 3.500 . 3.500 3.385 3.227 3.508 0.008 7 0 "[ . 1 . 2 .]" 1
62 1 138 LYS H 1 158 TRP HA 5.500 . 5.500 4.653 4.553 4.801 . 0 0 "[ . 1 . 2 .]" 1
63 1 139 VAL H 1 158 TRP HA 3.500 . 3.500 2.423 2.299 2.679 . 0 0 "[ . 1 . 2 .]" 1
64 1 140 SER H 1 158 TRP HA 4.500 . 4.500 4.144 4.004 4.337 . 0 0 "[ . 1 . 2 .]" 1
65 1 143 THR H 1 154 THR HA 4.500 . 4.500 4.301 4.208 4.411 . 0 0 "[ . 1 . 2 .]" 1
66 1 144 VAL H 1 154 THR HA 3.500 . 3.500 2.736 2.091 2.963 . 0 0 "[ . 1 . 2 .]" 1
67 1 146 ASP H 1 152 THR HA 3.500 . 3.500 2.552 2.228 2.786 . 0 0 "[ . 1 . 2 .]" 1
68 1 145 GLU HA 1 153 HIS H 4.500 . 4.500 3.861 3.571 4.510 0.010 7 0 "[ . 1 . 2 .]" 1
69 1 118 LEU HA 1 154 THR H 4.500 . 4.500 3.857 3.553 4.210 . 0 0 "[ . 1 . 2 .]" 1
70 1 141 SER HA 1 155 TYR H 4.500 . 4.500 4.386 3.986 4.512 0.012 20 0 "[ . 1 . 2 .]" 1
71 1 143 THR HA 1 155 TYR H 3.500 . 3.500 3.287 2.824 3.516 0.016 17 0 "[ . 1 . 2 .]" 1
72 1 114 LEU HA 1 156 GLU H 4.600 . 4.600 4.560 4.444 4.620 0.020 18 0 "[ . 1 . 2 .]" 1
73 1 116 THR HA 1 156 GLU H 3.600 . 3.600 3.581 3.383 3.625 0.025 4 0 "[ . 1 . 2 .]" 1
74 1 140 SER HA 1 157 VAL H 4.800 . 4.800 4.648 4.448 4.798 . 0 0 "[ . 1 . 2 .]" 1
75 1 141 SER HA 1 157 VAL H 4.000 . 4.000 3.627 3.465 3.897 . 0 0 "[ . 1 . 2 .]" 1
76 1 112 THR HA 1 158 TRP H 4.800 . 4.800 4.616 4.462 4.742 . 0 0 "[ . 1 . 2 .]" 1
77 1 136 PHE HA 1 159 GLN H 5.500 . 5.500 4.844 4.737 4.990 . 0 0 "[ . 1 . 2 .]" 1
78 1 138 LYS HA 1 159 GLN H 4.000 . 4.000 3.785 3.673 3.850 . 0 0 "[ . 1 . 2 .]" 1
79 1 111 ASP HA 1 160 LYS H 4.500 . 4.500 3.272 3.032 3.524 . 0 0 "[ . 1 . 2 .]" 1
80 1 112 THR HA 1 160 LYS H 3.500 . 3.500 2.856 2.563 3.215 . 0 0 "[ . 1 . 2 .]" 1
81 1 136 PHE HA 1 160 LYS H 4.500 . 4.500 4.432 4.332 4.510 0.010 8 0 "[ . 1 . 2 .]" 1
82 1 136 PHE HA 1 161 LYS H 3.500 . 3.500 2.382 2.169 2.492 . 0 0 "[ . 1 . 2 .]" 1
83 1 63 THR HA 1 77 HIS HA 4.500 . 4.500 4.217 3.922 4.387 . 0 0 "[ . 1 . 2 .]" 1
84 1 2 ALA HA 1 110 VAL HA 4.600 . 4.600 4.613 4.602 4.621 0.021 22 0 "[ . 1 . 2 .]" 1
85 1 120 GLY QA 1 150 ALA HA 3.500 . 3.500 2.456 1.897 3.307 . 0 0 "[ . 1 . 2 .]" 1
86 1 118 LEU HA 1 153 HIS HA 3.500 . 3.500 2.141 1.782 2.790 . 0 0 "[ . 1 . 2 .]" 1
87 1 138 LYS HA 1 158 TRP HA 3.500 . 3.500 2.388 2.272 2.507 . 0 0 "[ . 1 . 2 .]" 1
88 1 136 PHE HA 1 160 LYS HA 3.500 . 3.500 2.046 1.900 2.225 . 0 0 "[ . 1 . 2 .]" 1
89 1 5 TRP HD1 1 13 ILE MG 3.500 . 3.500 1.968 1.772 2.882 . 0 0 "[ . 1 . 2 .]" 1
90 1 5 TRP HE1 1 13 ILE MG 4.500 . 4.500 3.383 2.552 4.358 . 0 0 "[ . 1 . 2 .]" 1
91 1 7 GLN HA 1 13 ILE MG 4.500 . 4.500 3.361 2.809 4.348 . 0 0 "[ . 1 . 2 .]" 1
92 1 5 TRP H 1 29 TYR QE 4.500 . 4.500 4.150 2.662 4.504 0.004 10 0 "[ . 1 . 2 .]" 1
93 1 41 VAL MG2 1 46 TYR QB 2.500 . 2.500 2.309 2.047 2.502 0.002 8 0 "[ . 1 . 2 .]" 1
94 1 41 VAL MG1 1 46 TYR QD 3.800 . 3.800 3.735 3.503 3.811 0.011 6 0 "[ . 1 . 2 .]" 1
95 1 41 VAL MG2 1 46 TYR H 3.500 . 3.500 3.262 2.905 3.503 0.003 15 0 "[ . 1 . 2 .]" 1
96 1 41 VAL MG2 1 46 TYR HA 4.500 . 4.500 2.815 2.481 3.300 . 0 0 "[ . 1 . 2 .]" 1
97 1 39 MET ME 1 49 PHE HZ 3.500 . 3.500 2.663 1.966 3.318 . 0 0 "[ . 1 . 2 .]" 1
98 1 41 VAL MG2 1 49 PHE QD 3.500 . 3.500 3.361 2.885 3.512 0.012 15 0 "[ . 1 . 2 .]" 1
99 1 39 MET ME 1 54 LEU QD 3.500 . 3.500 2.187 1.778 2.543 . 0 0 "[ . 1 . 2 .]" 1
100 1 39 MET ME 1 54 LEU QB 4.000 . 4.000 3.950 3.612 4.019 0.019 21 0 "[ . 1 . 2 .]" 1
101 1 36 GLY H 1 56 GLU QB 4.100 . 4.100 4.122 3.990 4.143 0.043 19 0 "[ . 1 . 2 .]" 1
102 1 36 GLY H 1 57 ARG QG 5.500 . 5.500 2.282 1.582 5.504 0.004 23 0 "[ . 1 . 2 .]" 1
103 1 38 ILE HG12 1 58 THR MG 3.500 . 3.500 2.133 1.869 2.419 . 0 0 "[ . 1 . 2 .]" 1
104 1 38 ILE HG13 1 58 THR MG 3.500 . 3.500 3.429 2.856 3.520 0.020 2 0 "[ . 1 . 2 .]" 1
105 1 38 ILE HG13 1 58 THR HB 3.600 . 3.600 3.463 2.534 3.609 0.009 22 0 "[ . 1 . 2 .]" 1
106 1 39 MET H 1 58 THR MG 3.900 . 3.900 3.862 3.703 3.907 0.007 17 0 "[ . 1 . 2 .]" 1
107 1 39 MET H 1 59 ASN QB 5.500 . 5.500 5.388 5.113 5.511 0.011 15 0 "[ . 1 . 2 .]" 1
108 1 53 PRO QB 1 59 ASN QB 3.500 . 3.500 3.422 3.040 3.520 0.020 13 0 "[ . 1 . 2 .]" 1
109 1 54 LEU H 1 59 ASN QD 4.500 . 4.500 3.032 2.047 3.761 . 0 0 "[ . 1 . 2 .]" 1
110 1 54 LEU QB 1 59 ASN QD 4.500 . 4.500 2.098 1.808 2.575 . 0 0 "[ . 1 . 2 .]" 1
111 1 38 ILE MG 1 60 VAL MG2 2.500 . 2.500 2.274 1.698 2.444 . 0 0 "[ . 1 . 2 .]" 1
112 1 39 MET H 1 60 VAL MG2 4.500 . 4.500 3.879 3.509 4.245 . 0 0 "[ . 1 . 2 .]" 1
113 1 40 VAL HA 1 60 VAL HB 3.500 . 3.500 1.942 1.701 2.438 . 0 0 "[ . 1 . 2 .]" 1
114 1 40 VAL HA 1 60 VAL MG2 3.500 . 3.500 2.615 2.323 2.863 . 0 0 "[ . 1 . 2 .]" 1
115 1 41 VAL H 1 60 VAL MG2 4.500 . 4.500 4.163 3.816 4.418 . 0 0 "[ . 1 . 2 .]" 1
116 1 41 VAL MG1 1 61 VAL MG2 5.100 . 5.100 5.106 5.050 5.119 0.019 3 0 "[ . 1 . 2 .]" 1
117 1 41 VAL MG2 1 61 VAL HB 5.100 . 5.100 5.062 4.946 5.116 0.016 10 0 "[ . 1 . 2 .]" 1
118 1 41 VAL MG2 1 61 VAL MG2 3.000 . 3.000 2.889 2.801 2.975 . 0 0 "[ . 1 . 2 .]" 1
119 1 41 VAL HB 1 61 VAL MG2 5.500 . 5.500 5.278 5.010 5.473 . 0 0 "[ . 1 . 2 .]" 1
120 1 41 VAL MG2 1 61 VAL HA 3.500 . 3.500 2.833 2.673 3.051 . 0 0 "[ . 1 . 2 .]" 1
121 1 43 ARG HE 1 61 VAL MG1 4.500 . 4.500 4.401 4.160 4.523 0.023 18 0 "[ . 1 . 2 .]" 1
122 1 43 ARG HB2 1 61 VAL MG1 4.500 . 4.500 3.030 2.365 3.201 . 0 0 "[ . 1 . 2 .]" 1
123 1 43 ARG HA 1 61 VAL MG2 3.500 . 3.500 3.322 2.850 3.503 0.003 17 0 "[ . 1 . 2 .]" 1
124 1 43 ARG HB3 1 61 VAL MG1 3.500 . 3.500 2.232 1.899 2.408 . 0 0 "[ . 1 . 2 .]" 1
125 1 43 ARG QG 1 61 VAL MG1 3.800 . 3.800 3.591 2.707 3.774 . 0 0 "[ . 1 . 2 .]" 1
126 1 43 ARG HA 1 61 VAL MG1 3.500 . 3.500 1.864 1.752 1.952 . 0 0 "[ . 1 . 2 .]" 1
127 1 46 TYR QB 1 61 VAL MG2 4.500 . 4.500 2.488 2.253 2.881 . 0 0 "[ . 1 . 2 .]" 1
128 1 40 VAL MG1 1 62 LEU H 4.500 . 4.500 4.096 3.693 4.333 . 0 0 "[ . 1 . 2 .]" 1
129 1 43 ARG QG 1 63 THR MG 3.600 . 3.600 3.529 2.463 3.617 0.017 5 0 "[ . 1 . 2 .]" 1
130 1 43 ARG HB3 1 63 THR MG 3.500 . 3.500 2.827 2.701 2.891 . 0 0 "[ . 1 . 2 .]" 1
131 1 43 ARG HB2 1 63 THR MG 3.900 . 3.900 3.864 3.318 3.913 0.013 2 0 "[ . 1 . 2 .]" 1
132 1 43 ARG QD 1 63 THR MG 5.500 . 5.500 4.900 4.117 5.054 . 0 0 "[ . 1 . 2 .]" 1
133 1 43 ARG H 1 63 THR HB 4.500 . 4.500 3.825 3.505 4.152 . 0 0 "[ . 1 . 2 .]" 1
134 1 43 ARG HE 1 68 TYR QE 4.500 . 4.500 2.416 1.933 4.208 . 0 0 "[ . 1 . 2 .]" 1
135 1 43 ARG QD 1 68 TYR QD 5.600 . 5.600 5.541 5.240 5.613 0.013 24 0 "[ . 1 . 2 .]" 1
136 1 61 VAL QG 1 68 TYR QB 5.500 . 5.500 3.779 3.624 4.021 . 0 0 "[ . 1 . 2 .]" 1
137 1 61 VAL MG1 1 68 TYR QE 3.500 . 3.500 2.445 2.286 2.716 . 0 0 "[ . 1 . 2 .]" 1
138 1 61 VAL MG1 1 68 TYR QD 3.500 . 3.500 3.093 2.793 3.243 . 0 0 "[ . 1 . 2 .]" 1
139 1 61 VAL MG2 1 68 TYR QE 3.500 . 3.500 3.138 2.829 3.429 . 0 0 "[ . 1 . 2 .]" 1
140 1 61 VAL MG2 1 68 TYR QD 4.500 . 4.500 4.172 3.945 4.418 . 0 0 "[ . 1 . 2 .]" 1
141 1 63 THR MG 1 68 TYR HB3 3.500 . 3.500 2.299 2.096 2.509 . 0 0 "[ . 1 . 2 .]" 1
142 1 63 THR MG 1 68 TYR QE 4.500 . 4.500 3.350 3.089 3.492 . 0 0 "[ . 1 . 2 .]" 1
143 1 63 THR MG 1 68 TYR HB2 3.500 . 3.500 2.122 1.939 2.460 . 0 0 "[ . 1 . 2 .]" 1
144 1 63 THR MG 1 68 TYR QD 3.500 . 3.500 2.386 2.194 2.597 . 0 0 "[ . 1 . 2 .]" 1
145 1 63 THR MG 1 68 TYR H 4.500 . 4.500 3.861 3.654 4.042 . 0 0 "[ . 1 . 2 .]" 1
146 1 60 VAL HA 1 70 ALA MB 5.000 . 5.000 4.880 4.545 5.005 0.005 5 0 "[ . 1 . 2 .]" 1
147 1 61 VAL MG1 1 70 ALA MB 3.600 . 3.600 3.577 3.238 3.624 0.024 19 0 "[ . 1 . 2 .]" 1
148 1 61 VAL MG2 1 70 ALA MB 3.500 . 3.500 2.178 1.791 2.355 . 0 0 "[ . 1 . 2 .]" 1
149 1 61 VAL H 1 70 ALA MB 4.500 . 4.500 4.263 3.959 4.488 . 0 0 "[ . 1 . 2 .]" 1
150 1 61 VAL HB 1 70 ALA MB 3.500 . 3.500 3.248 2.977 3.445 . 0 0 "[ . 1 . 2 .]" 1
151 1 53 PRO QB 1 72 GLY QA 4.500 . 4.500 3.463 2.792 4.088 . 0 0 "[ . 1 . 2 .]" 1
152 1 53 PRO QG 1 72 GLY QA 3.500 . 3.500 2.459 1.884 3.425 . 0 0 "[ . 1 . 2 .]" 1
153 1 53 PRO QB 1 73 ALA MB 3.500 . 3.500 2.968 2.436 3.414 . 0 0 "[ . 1 . 2 .]" 1
154 1 53 PRO QG 1 73 ALA H 5.500 . 5.500 3.722 2.741 4.901 . 0 0 "[ . 1 . 2 .]" 1
155 1 59 ASN HB2 1 73 ALA HA 4.500 . 4.500 3.650 2.838 4.273 . 0 0 "[ . 1 . 2 .]" 1
156 1 59 ASN QB 1 73 ALA MB 3.500 . 3.500 2.204 1.854 2.565 . 0 0 "[ . 1 . 2 .]" 1
157 1 59 ASN QB 1 73 ALA HA 4.500 . 4.500 3.535 2.781 4.055 . 0 0 "[ . 1 . 2 .]" 1
158 1 61 VAL MG2 1 73 ALA HA 5.500 . 5.500 4.992 4.741 5.324 . 0 0 "[ . 1 . 2 .]" 1
159 1 61 VAL MG2 1 73 ALA MB 3.000 . 3.000 2.497 2.240 2.841 . 0 0 "[ . 1 . 2 .]" 1
160 1 60 VAL MG2 1 74 VAL H 3.500 . 3.500 3.386 3.161 3.509 0.009 3 0 "[ . 1 . 2 .]" 1
161 1 60 VAL MG2 1 74 VAL HB 3.500 . 3.500 2.401 2.054 2.712 . 0 0 "[ . 1 . 2 .]" 1
162 1 60 VAL HA 1 74 VAL HB 3.500 . 3.500 2.590 2.361 2.793 . 0 0 "[ . 1 . 2 .]" 1
163 1 61 VAL H 1 74 VAL HB 4.500 . 4.500 3.835 3.616 4.013 . 0 0 "[ . 1 . 2 .]" 1
164 1 61 VAL MG2 1 75 VAL MG1 5.500 . 5.500 4.158 3.760 4.396 . 0 0 "[ . 1 . 2 .]" 1
165 1 61 VAL HB 1 75 VAL HA 3.500 . 3.500 2.466 2.335 2.587 . 0 0 "[ . 1 . 2 .]" 1
166 1 61 VAL HB 1 75 VAL MG1 3.500 . 3.500 3.064 2.532 3.401 . 0 0 "[ . 1 . 2 .]" 1
167 1 61 VAL MG2 1 75 VAL MG2 3.500 . 3.500 3.397 3.070 3.514 0.014 3 0 "[ . 1 . 2 .]" 1
168 1 61 VAL MG1 1 75 VAL MG2 3.800 . 3.800 3.786 3.677 3.813 0.013 25 0 "[ . 1 . 2 .]" 1
169 1 61 VAL HB 1 75 VAL MG2 3.500 . 3.500 3.103 2.922 3.244 . 0 0 "[ . 1 . 2 .]" 1
170 1 61 VAL QG 1 75 VAL H 5.100 . 5.100 5.005 4.748 5.106 0.006 10 0 "[ . 1 . 2 .]" 1
171 1 61 VAL H 1 75 VAL MG2 4.500 . 4.500 3.998 3.788 4.317 . 0 0 "[ . 1 . 2 .]" 1
172 1 61 VAL MG1 1 75 VAL MG1 3.500 . 3.500 3.168 2.893 3.439 . 0 0 "[ . 1 . 2 .]" 1
173 1 68 TYR QB 1 75 VAL MG2 4.500 . 4.500 3.609 3.442 3.959 . 0 0 "[ . 1 . 2 .]" 1
174 1 68 TYR HB2 1 75 VAL MG1 3.500 . 3.500 3.396 3.226 3.508 0.008 4 0 "[ . 1 . 2 .]" 1
175 1 68 TYR HB3 1 75 VAL MG1 4.500 . 4.500 1.951 1.810 2.086 . 0 0 "[ . 1 . 2 .]" 1
176 1 68 TYR QD 1 75 VAL MG2 3.500 . 3.500 2.473 2.233 2.785 . 0 0 "[ . 1 . 2 .]" 1
177 1 69 GLN QG 1 75 VAL MG2 4.500 . 4.500 3.431 3.122 3.985 . 0 0 "[ . 1 . 2 .]" 1
178 1 69 GLN H 1 75 VAL MG1 3.800 . 3.800 3.695 3.408 3.808 0.008 25 0 "[ . 1 . 2 .]" 1
179 1 69 GLN H 1 75 VAL MG2 4.500 . 4.500 3.665 3.544 3.821 . 0 0 "[ . 1 . 2 .]" 1
180 1 70 ALA MB 1 75 VAL H 4.800 . 4.800 4.538 4.165 4.681 . 0 0 "[ . 1 . 2 .]" 1
181 1 70 ALA HA 1 75 VAL QG 5.500 . 5.500 3.959 3.736 4.117 . 0 0 "[ . 1 . 2 .]" 1
182 1 70 ALA H 1 75 VAL MG2 3.500 . 3.500 2.660 2.258 2.923 . 0 0 "[ . 1 . 2 .]" 1
183 1 70 ALA MB 1 75 VAL QG 4.500 . 4.500 2.335 2.120 2.537 . 0 0 "[ . 1 . 2 .]" 1
184 1 61 VAL HB 1 76 VAL H 4.500 . 4.500 3.502 3.320 3.679 . 0 0 "[ . 1 . 2 .]" 1
185 1 62 LEU QD 1 76 VAL H 4.600 . 4.600 4.520 4.214 4.616 0.016 10 0 "[ . 1 . 2 .]" 1
186 1 62 LEU QB 1 76 VAL MG2 3.500 . 3.500 2.980 2.626 3.448 . 0 0 "[ . 1 . 2 .]" 1
187 1 62 LEU QD 1 76 VAL MG1 4.500 . 4.500 3.827 3.619 3.997 . 0 0 "[ . 1 . 2 .]" 1
188 1 62 LEU HA 1 76 VAL MG2 2.500 . 2.500 2.207 1.991 2.417 . 0 0 "[ . 1 . 2 .]" 1
189 1 62 LEU QD 1 76 VAL HB 3.500 . 3.500 3.324 2.668 3.508 0.008 2 0 "[ . 1 . 2 .]" 1
190 1 62 LEU QD 1 77 HIS HA 3.500 . 3.500 3.363 3.032 3.512 0.012 9 0 "[ . 1 . 2 .]" 1
191 1 62 LEU HA 1 77 HIS QB 5.100 . 5.100 5.045 4.919 5.111 0.011 25 0 "[ . 1 . 2 .]" 1
192 1 62 LEU QD 1 77 HIS HB3 4.600 . 4.600 4.562 4.182 4.617 0.017 14 0 "[ . 1 . 2 .]" 1
193 1 63 THR MG 1 77 HIS HA 4.500 . 4.500 3.543 3.283 3.800 . 0 0 "[ . 1 . 2 .]" 1
194 1 63 THR H 1 77 HIS HD2 4.500 . 4.500 3.337 2.644 4.502 0.002 25 0 "[ . 1 . 2 .]" 1
195 1 66 GLU HA 1 77 HIS HE1 3.500 . 3.500 2.867 1.867 3.500 . 0 0 "[ . 1 . 2 .]" 1
196 1 62 LEU QD 1 78 ASP H 3.500 . 3.500 3.020 2.324 3.387 . 0 0 "[ . 1 . 2 .]" 1
197 1 62 LEU QD 1 78 ASP HA 3.500 . 3.500 1.951 1.806 2.228 . 0 0 "[ . 1 . 2 .]" 1
198 1 62 LEU QD 1 79 VAL H 3.500 . 3.500 3.411 3.038 3.512 0.012 2 0 "[ . 1 . 2 .]" 1
199 1 62 LEU QD 1 79 VAL HA 3.500 . 3.500 3.352 3.156 3.509 0.009 19 0 "[ . 1 . 2 .]" 1
200 1 76 VAL MG2 1 81 ALA MB 3.500 . 3.500 3.264 3.159 3.361 . 0 0 "[ . 1 . 2 .]" 1
201 1 76 VAL HB 1 81 ALA MB 2.500 . 2.500 1.849 1.689 1.948 . 0 0 "[ . 1 . 2 .]" 1
202 1 76 VAL MG1 1 81 ALA MB 2.500 . 2.500 2.107 1.925 2.467 . 0 0 "[ . 1 . 2 .]" 1
203 1 76 VAL HB 1 81 ALA H 4.500 . 4.500 3.903 3.762 4.076 . 0 0 "[ . 1 . 2 .]" 1
204 1 40 VAL MG2 1 82 VAL MG2 2.600 . 2.600 2.586 2.434 2.616 0.016 5 0 "[ . 1 . 2 .]" 1
205 1 62 LEU QD 1 82 VAL MG2 2.500 . 2.500 2.089 1.856 2.457 . 0 0 "[ . 1 . 2 .]" 1
206 1 62 LEU HA 1 82 VAL MG2 4.600 . 4.600 4.580 4.320 4.618 0.018 14 0 "[ . 1 . 2 .]" 1
207 1 76 VAL MG1 1 82 VAL MG2 3.500 . 3.500 2.270 1.959 2.541 . 0 0 "[ . 1 . 2 .]" 1
208 1 76 VAL MG2 1 82 VAL MG2 2.500 . 2.500 1.757 1.572 1.818 . 0 0 "[ . 1 . 2 .]" 1
209 1 76 VAL MG2 1 82 VAL H 3.900 . 3.900 3.817 3.582 3.910 0.010 4 0 "[ . 1 . 2 .]" 1
210 1 76 VAL HB 1 82 VAL MG2 3.500 . 3.500 2.508 2.266 2.836 . 0 0 "[ . 1 . 2 .]" 1
211 1 76 VAL MG2 1 82 VAL HA 3.500 . 3.500 3.434 3.250 3.507 0.007 5 0 "[ . 1 . 2 .]" 1
212 1 76 VAL MG1 1 82 VAL HA 3.500 . 3.500 2.058 1.902 2.315 . 0 0 "[ . 1 . 2 .]" 1
213 1 76 VAL MG1 1 82 VAL H 3.500 . 3.500 3.294 2.981 3.493 . 0 0 "[ . 1 . 2 .]" 1
214 1 77 HIS H 1 82 VAL MG2 4.500 . 4.500 4.321 4.088 4.501 0.001 16 0 "[ . 1 . 2 .]" 1
215 1 38 ILE MG 1 85 TYR QE 3.500 . 3.500 2.728 2.084 3.303 . 0 0 "[ . 1 . 2 .]" 1
216 1 38 ILE MG 1 85 TYR QD 2.500 . 2.500 2.346 2.050 2.504 0.004 2 0 "[ . 1 . 2 .]" 1
217 1 38 ILE MD 1 85 TYR QD 2.500 . 2.500 2.269 1.935 2.504 0.004 16 0 "[ . 1 . 2 .]" 1
218 1 38 ILE MD 1 85 TYR QE 3.500 . 3.500 2.275 1.934 2.764 . 0 0 "[ . 1 . 2 .]" 1
219 1 58 THR MG 1 85 TYR QE 3.500 . 3.500 2.540 1.891 3.133 . 0 0 "[ . 1 . 2 .]" 1
220 1 74 VAL MG2 1 85 TYR QE 3.500 . 3.500 2.489 2.075 2.776 . 0 0 "[ . 1 . 2 .]" 1
221 1 74 VAL MG1 1 85 TYR QE 3.500 . 3.500 3.155 2.644 3.504 0.004 20 0 "[ . 1 . 2 .]" 1
222 1 74 VAL MG1 1 85 TYR QD 2.500 . 2.500 2.378 2.037 2.506 0.006 17 0 "[ . 1 . 2 .]" 1
223 1 38 ILE MD 1 86 ALA HA 2.600 . 2.600 2.608 2.483 2.632 0.032 22 0 "[ . 1 . 2 .]" 1
224 1 38 ILE MD 1 86 ALA MB 3.500 . 3.500 2.928 2.663 3.185 . 0 0 "[ . 1 . 2 .]" 1
225 1 38 ILE MD 1 89 HIS HB3 3.500 . 3.500 2.433 2.053 2.753 . 0 0 "[ . 1 . 2 .]" 1
226 1 38 ILE MD 1 89 HIS HA 4.600 . 4.600 4.515 4.285 4.636 0.036 17 0 "[ . 1 . 2 .]" 1
227 1 38 ILE MD 1 89 HIS HB2 3.500 . 3.500 2.403 2.248 2.535 . 0 0 "[ . 1 . 2 .]" 1
228 1 38 ILE MD 1 89 HIS H 4.500 . 4.500 4.445 4.299 4.524 0.024 7 0 "[ . 1 . 2 .]" 1
229 1 38 ILE MD 1 92 GLN QB 3.500 . 3.500 1.955 1.781 2.716 . 0 0 "[ . 1 . 2 .]" 1
230 1 38 ILE MD 1 92 GLN HE21 4.500 . 4.500 3.399 1.989 3.937 . 0 0 "[ . 1 . 2 .]" 1
231 1 38 ILE MD 1 92 GLN H 4.500 . 4.500 3.591 3.179 4.095 . 0 0 "[ . 1 . 2 .]" 1
232 1 38 ILE MD 1 92 GLN QG 3.500 . 3.500 2.979 1.868 3.405 . 0 0 "[ . 1 . 2 .]" 1
233 1 58 THR HB 1 92 GLN HE21 4.500 . 4.500 3.824 3.338 4.501 0.001 19 0 "[ . 1 . 2 .]" 1
234 1 58 THR HB 1 92 GLN HE22 4.500 . 4.500 3.638 2.651 4.514 0.014 2 0 "[ . 1 . 2 .]" 1
235 1 58 THR MG 1 92 GLN HE21 4.500 . 4.500 4.182 3.182 4.505 0.005 21 0 "[ . 1 . 2 .]" 1
236 1 38 ILE MG 1 94 LEU HA 3.500 . 3.500 3.178 2.619 3.511 0.011 17 0 "[ . 1 . 2 .]" 1
237 1 38 ILE HB 1 94 LEU HA 3.500 . 3.500 2.719 2.286 3.132 . 0 0 "[ . 1 . 2 .]" 1
238 1 38 ILE HB 1 94 LEU QD 3.500 . 3.500 2.850 1.943 3.508 0.008 25 0 "[ . 1 . 2 .]" 1
239 1 82 VAL MG2 1 94 LEU QD 3.600 . 3.600 3.494 3.352 3.604 0.004 5 0 "[ . 1 . 2 .]" 1
240 1 83 PHE QD 1 94 LEU QD 2.600 . 2.600 2.581 2.387 2.612 0.012 25 0 "[ . 1 . 2 .]" 1
241 1 86 ALA HA 1 94 LEU QD 4.500 . 4.500 3.859 3.476 4.144 . 0 0 "[ . 1 . 2 .]" 1
242 1 86 ALA H 1 94 LEU QD 3.500 . 3.500 3.313 2.974 3.513 0.013 22 0 "[ . 1 . 2 .]" 1
243 1 86 ALA MB 1 94 LEU QD 2.500 . 2.500 1.994 1.676 2.323 . 0 0 "[ . 1 . 2 .]" 1
244 1 87 LYS H 1 94 LEU QD 5.500 . 5.500 4.897 4.583 5.116 . 0 0 "[ . 1 . 2 .]" 1
245 1 2 ALA MB 1 95 VAL QG 2.500 . 2.500 2.053 1.798 2.453 . 0 0 "[ . 1 . 2 .]" 1
246 1 2 ALA MB 1 95 VAL HA 3.500 . 3.500 3.093 2.681 3.305 . 0 0 "[ . 1 . 2 .]" 1
247 1 4 LEU H 1 95 VAL QG 4.500 . 4.500 3.335 3.045 3.665 . 0 0 "[ . 1 . 2 .]" 1
248 1 38 ILE HB 1 95 VAL H 4.500 . 4.500 3.903 3.435 4.315 . 0 0 "[ . 1 . 2 .]" 1
249 1 39 MET HA 1 95 VAL HB 4.500 . 4.500 3.276 3.012 3.502 . 0 0 "[ . 1 . 2 .]" 1
250 1 40 VAL H 1 95 VAL QG 4.600 . 4.600 4.601 4.501 4.623 0.023 20 0 "[ . 1 . 2 .]" 1
251 1 1 THR MG 1 96 ILE H 3.500 . 3.500 3.021 2.604 3.435 . 0 0 "[ . 1 . 2 .]" 1
252 1 2 ALA MB 1 96 ILE H 4.500 . 4.500 4.119 3.785 4.329 . 0 0 "[ . 1 . 2 .]" 1
253 1 3 PHE QD 1 96 ILE H 3.500 . 3.500 3.179 2.976 3.351 . 0 0 "[ . 1 . 2 .]" 1
254 1 3 PHE HA 1 96 ILE HB 3.500 . 3.500 3.107 2.925 3.259 . 0 0 "[ . 1 . 2 .]" 1
255 1 3 PHE QE 1 96 ILE HB 4.500 . 4.500 2.313 1.997 2.753 . 0 0 "[ . 1 . 2 .]" 1
256 1 3 PHE QE 1 96 ILE H 5.500 . 5.500 4.067 3.867 4.240 . 0 0 "[ . 1 . 2 .]" 1
257 1 3 PHE QE 1 96 ILE MG 3.500 . 3.500 2.725 2.340 3.309 . 0 0 "[ . 1 . 2 .]" 1
258 1 3 PHE QD 1 96 ILE HB 4.500 . 4.500 2.349 1.929 2.842 . 0 0 "[ . 1 . 2 .]" 1
259 1 40 VAL MG1 1 96 ILE MD 3.500 . 3.500 2.803 2.433 3.169 . 0 0 "[ . 1 . 2 .]" 1
260 1 40 VAL MG2 1 96 ILE MD 2.500 . 2.500 1.755 1.667 1.863 . 0 0 "[ . 1 . 2 .]" 1
261 1 40 VAL HB 1 96 ILE MD 2.500 . 2.500 1.959 1.855 2.194 . 0 0 "[ . 1 . 2 .]" 1
262 1 40 VAL MG1 1 96 ILE MG 3.500 . 3.500 3.033 2.622 3.501 0.001 14 0 "[ . 1 . 2 .]" 1
263 1 40 VAL HB 1 96 ILE MG 3.500 . 3.500 2.305 1.961 2.628 . 0 0 "[ . 1 . 2 .]" 1
264 1 82 VAL MG2 1 96 ILE MD 4.500 . 4.500 3.639 3.315 3.956 . 0 0 "[ . 1 . 2 .]" 1
265 1 4 LEU MD2 1 97 ALA MB 3.500 . 3.500 3.292 2.712 3.522 0.022 11 0 "[ . 1 . 2 .]" 1
266 1 39 MET ME 1 97 ALA MB 3.500 . 3.500 3.352 3.048 3.524 0.024 5 0 "[ . 1 . 2 .]" 1
267 1 40 VAL HB 1 97 ALA H 4.500 . 4.500 3.511 3.163 3.981 . 0 0 "[ . 1 . 2 .]" 1
268 1 40 VAL MG2 1 97 ALA H 4.600 . 4.600 4.530 4.275 4.617 0.017 18 0 "[ . 1 . 2 .]" 1
269 1 41 VAL MG1 1 97 ALA MB 2.500 . 2.500 2.320 1.922 2.509 0.009 4 0 "[ . 1 . 2 .]" 1
270 1 41 VAL MG1 1 97 ALA H 4.500 . 4.500 3.445 3.139 3.834 . 0 0 "[ . 1 . 2 .]" 1
271 1 45 THR MG 1 97 ALA MB 4.000 . 4.000 3.901 3.588 4.021 0.021 11 0 "[ . 1 . 2 .]" 1
272 1 40 VAL HB 1 98 GLY H 5.000 . 5.000 4.555 4.202 4.943 . 0 0 "[ . 1 . 2 .]" 1
273 1 41 VAL MG1 1 98 GLY H 4.500 . 4.500 3.161 2.955 3.722 . 0 0 "[ . 1 . 2 .]" 1
274 1 45 THR MG 1 99 GLY H 4.000 . 4.000 3.793 3.514 4.004 0.004 9 0 "[ . 1 . 2 .]" 1
275 1 13 ILE MD 1 100 ALA MB 3.500 . 3.500 2.358 1.867 2.940 . 0 0 "[ . 1 . 2 .]" 1
276 1 13 ILE MD 1 100 ALA H 4.500 . 4.500 3.695 3.142 4.509 0.009 19 0 "[ . 1 . 2 .]" 1
277 1 40 VAL HB 1 102 ILE MG 3.600 . 3.600 3.593 3.486 3.624 0.024 24 0 "[ . 1 . 2 .]" 1
278 1 41 VAL HA 1 102 ILE MG 4.500 . 4.500 3.750 3.421 4.092 . 0 0 "[ . 1 . 2 .]" 1
279 1 42 GLY HA3 1 102 ILE MD 3.500 . 3.500 2.958 2.563 3.197 . 0 0 "[ . 1 . 2 .]" 1
280 1 42 GLY HA2 1 102 ILE MD 3.500 . 3.500 2.390 1.954 2.802 . 0 0 "[ . 1 . 2 .]" 1
281 1 42 GLY H 1 102 ILE MD 4.000 . 4.000 3.943 3.722 4.015 0.015 24 0 "[ . 1 . 2 .]" 1
282 1 43 ARG H 1 102 ILE MD 5.500 . 5.500 3.711 3.216 4.143 . 0 0 "[ . 1 . 2 .]" 1
283 1 62 LEU HA 1 102 ILE MD 4.500 . 4.500 4.304 4.133 4.486 . 0 0 "[ . 1 . 2 .]" 1
284 1 62 LEU QD 1 102 ILE MD 3.500 . 3.500 1.849 1.688 2.069 . 0 0 "[ . 1 . 2 .]" 1
285 1 96 ILE MG 1 102 ILE MG 2.500 . 2.500 2.064 1.847 2.200 . 0 0 "[ . 1 . 2 .]" 1
286 1 4 LEU H 1 103 PHE QE 3.600 . 3.600 3.581 3.436 3.614 0.014 25 0 "[ . 1 . 2 .]" 1
287 1 96 ILE MG 1 103 PHE HA 3.500 . 3.500 3.268 2.731 3.506 0.006 13 0 "[ . 1 . 2 .]" 1
288 1 96 ILE MG 1 103 PHE QD 3.500 . 3.500 3.099 2.468 3.358 . 0 0 "[ . 1 . 2 .]" 1
289 1 98 GLY H 1 103 PHE QE 4.500 . 4.500 4.367 4.158 4.504 0.004 17 0 "[ . 1 . 2 .]" 1
290 1 98 GLY H 1 103 PHE HZ 5.100 . 5.100 5.091 4.926 5.121 0.021 24 0 "[ . 1 . 2 .]" 1
291 1 79 VAL QG 1 105 ALA MB 2.500 . 2.500 2.218 1.947 2.504 0.004 10 0 "[ . 1 . 2 .]" 1
292 1 96 ILE MG 1 105 ALA H 5.500 . 5.500 5.350 5.194 5.505 0.005 13 0 "[ . 1 . 2 .]" 1
293 1 3 PHE QE 1 106 PHE QB 4.500 . 4.500 1.994 1.869 2.125 . 0 0 "[ . 1 . 2 .]" 1
294 1 40 VAL MG1 1 106 PHE QE 3.500 . 3.500 3.138 2.935 3.509 0.009 16 0 "[ . 1 . 2 .]" 1
295 1 40 VAL MG1 1 106 PHE HZ 3.500 . 3.500 2.422 2.065 2.907 . 0 0 "[ . 1 . 2 .]" 1
296 1 62 LEU QD 1 106 PHE QE 4.500 . 4.500 1.979 1.778 2.241 . 0 0 "[ . 1 . 2 .]" 1
297 1 79 VAL HB 1 106 PHE QE 5.000 . 5.000 4.811 4.650 4.892 . 0 0 "[ . 1 . 2 .]" 1
298 1 79 VAL QG 1 106 PHE HZ 3.500 . 3.500 3.214 3.026 3.458 . 0 0 "[ . 1 . 2 .]" 1
299 1 79 VAL QG 1 106 PHE HB2 3.500 . 3.500 3.402 3.313 3.499 . 0 0 "[ . 1 . 2 .]" 1
300 1 79 VAL QG 1 106 PHE QE 2.500 . 2.500 2.390 2.233 2.487 . 0 0 "[ . 1 . 2 .]" 1
301 1 80 ALA H 1 106 PHE QE 5.600 . 5.600 5.531 5.438 5.603 0.003 9 0 "[ . 1 . 2 .]" 1
302 1 81 ALA H 1 106 PHE HZ 6.000 . 6.000 5.941 5.689 6.011 0.011 23 0 "[ . 1 . 2 .]" 1
303 1 81 ALA MB 1 106 PHE HZ 5.600 . 5.600 5.565 5.459 5.616 0.016 19 0 "[ . 1 . 2 .]" 1
304 1 82 VAL H 1 106 PHE QE 4.500 . 4.500 4.314 4.166 4.506 0.006 3 0 "[ . 1 . 2 .]" 1
305 1 82 VAL MG2 1 106 PHE HZ 3.500 . 3.500 1.815 1.738 1.906 . 0 0 "[ . 1 . 2 .]" 1
306 1 82 VAL MG1 1 106 PHE HZ 3.500 . 3.500 3.450 3.328 3.513 0.013 19 0 "[ . 1 . 2 .]" 1
307 1 82 VAL MG1 1 106 PHE QE 2.500 . 2.500 2.387 2.218 2.507 0.007 25 0 "[ . 1 . 2 .]" 1
308 1 82 VAL HB 1 106 PHE QE 4.500 . 4.500 2.218 2.082 2.431 . 0 0 "[ . 1 . 2 .]" 1
309 1 82 VAL MG2 1 106 PHE QE 3.500 . 3.500 2.467 2.130 2.776 . 0 0 "[ . 1 . 2 .]" 1
310 1 83 PHE H 1 106 PHE QE 4.500 . 4.500 4.115 3.907 4.355 . 0 0 "[ . 1 . 2 .]" 1
311 1 96 ILE MD 1 106 PHE QE 4.500 . 4.500 2.750 2.530 3.023 . 0 0 "[ . 1 . 2 .]" 1
312 1 3 PHE QD 1 107 LYS H 5.600 . 5.600 5.556 5.377 5.618 0.018 8 0 "[ . 1 . 2 .]" 1
313 1 3 PHE QE 1 107 LYS H 4.500 . 4.500 3.695 3.216 3.883 . 0 0 "[ . 1 . 2 .]" 1
314 1 83 PHE QE 1 109 ASP HB2 3.500 . 3.500 2.783 2.204 3.372 . 0 0 "[ . 1 . 2 .]" 1
315 1 83 PHE QE 1 109 ASP HB3 3.500 . 3.500 2.102 1.896 2.645 . 0 0 "[ . 1 . 2 .]" 1
316 1 1 THR H1 1 110 VAL HA 4.500 . 4.500 4.024 3.312 5.119 0.619 12 1 "[ . 1 + . 2 .]" 1
317 1 2 ALA H 1 110 VAL MG1 4.500 . 4.500 4.311 4.021 4.509 0.009 3 0 "[ . 1 . 2 .]" 1
318 1 2 ALA HA 1 110 VAL MG1 3.500 . 3.500 2.653 2.454 2.857 . 0 0 "[ . 1 . 2 .]" 1
319 1 3 PHE H 1 110 VAL MG1 3.500 . 3.500 2.984 2.723 3.261 . 0 0 "[ . 1 . 2 .]" 1
320 1 3 PHE QD 1 110 VAL MG1 3.500 . 3.500 3.110 2.806 3.339 . 0 0 "[ . 1 . 2 .]" 1
321 1 3 PHE QB 1 110 VAL MG1 4.500 . 4.500 2.403 1.962 2.875 . 0 0 "[ . 1 . 2 .]" 1
322 1 1 THR H1 1 111 ASP QB 4.500 . 4.500 2.224 1.836 2.906 . 0 0 "[ . 1 . 2 .]" 1
323 1 1 THR H1 1 111 ASP HA 3.700 . 3.700 4.528 3.886 5.567 1.867 12 11 "[ * * * * +- * * *2 * *]" 1
324 1 1 THR H1 1 112 THR MG 4.700 . 4.700 5.998 5.092 6.611 1.911 5 22 "[****+******* -** **** ***]" 1
325 1 1 THR HB 1 112 THR HB 5.800 . 5.800 5.749 5.633 5.813 0.013 22 0 "[ . 1 . 2 .]" 1
326 1 2 ALA HA 1 112 THR MG 4.500 . 4.500 3.343 3.148 3.528 . 0 0 "[ . 1 . 2 .]" 1
327 1 2 ALA HA 1 112 THR HB 3.500 . 3.500 2.539 2.276 2.817 . 0 0 "[ . 1 . 2 .]" 1
328 1 2 ALA MB 1 112 THR HB 3.500 . 3.500 2.404 2.074 2.649 . 0 0 "[ . 1 . 2 .]" 1
329 1 2 ALA MB 1 112 THR H 4.500 . 4.500 4.207 3.890 4.395 . 0 0 "[ . 1 . 2 .]" 1
330 1 2 ALA MB 1 113 LEU HA 3.900 . 3.900 3.906 3.857 3.921 0.021 19 0 "[ . 1 . 2 .]" 1
331 1 3 PHE QD 1 113 LEU MD2 3.500 . 3.500 3.084 2.401 3.331 . 0 0 "[ . 1 . 2 .]" 1
332 1 3 PHE H 1 113 LEU MD2 3.500 . 3.500 3.225 2.945 3.352 . 0 0 "[ . 1 . 2 .]" 1
333 1 3 PHE QB 1 113 LEU MD2 4.500 . 4.500 1.895 1.794 2.023 . 0 0 "[ . 1 . 2 .]" 1
334 1 4 LEU HA 1 113 LEU QB 5.800 . 5.800 5.725 5.516 5.808 0.008 6 0 "[ . 1 . 2 .]" 1
335 1 5 TRP HE3 1 113 LEU MD2 5.000 . 5.000 4.893 4.478 5.012 0.012 5 0 "[ . 1 . 2 .]" 1
336 1 5 TRP HZ2 1 113 LEU MD1 5.500 . 5.500 5.065 4.533 5.469 . 0 0 "[ . 1 . 2 .]" 1
337 1 5 TRP HZ3 1 113 LEU MD2 3.500 . 3.500 2.937 2.428 3.129 . 0 0 "[ . 1 . 2 .]" 1
338 1 2 ALA HA 1 114 LEU MD2 5.000 . 5.000 4.956 4.750 5.002 0.002 15 0 "[ . 1 . 2 .]" 1
339 1 2 ALA MB 1 114 LEU MD1 3.500 . 3.500 2.316 1.950 2.552 . 0 0 "[ . 1 . 2 .]" 1
340 1 4 LEU HA 1 114 LEU MD1 3.500 . 3.500 3.175 2.771 3.408 . 0 0 "[ . 1 . 2 .]" 1
341 1 4 LEU HA 1 114 LEU QB 4.500 . 4.500 2.019 1.893 2.162 . 0 0 "[ . 1 . 2 .]" 1
342 1 5 TRP H 1 114 LEU HB3 5.000 . 5.000 4.645 4.409 4.846 . 0 0 "[ . 1 . 2 .]" 1
343 1 33 GLN HE22 1 114 LEU MD1 4.500 . 4.500 3.141 1.841 4.503 0.003 11 0 "[ . 1 . 2 .]" 1
344 1 5 TRP HE3 1 115 VAL HA 4.500 . 4.500 4.359 4.158 4.510 0.010 15 0 "[ . 1 . 2 .]" 1
345 1 5 TRP HZ2 1 115 VAL MG2 4.500 . 4.500 4.422 4.206 4.512 0.012 9 0 "[ . 1 . 2 .]" 1
346 1 5 TRP HE1 1 115 VAL MG1 4.500 . 4.500 3.919 3.618 4.155 . 0 0 "[ . 1 . 2 .]" 1
347 1 5 TRP HZ2 1 115 VAL MG1 3.500 . 3.500 2.398 2.244 2.654 . 0 0 "[ . 1 . 2 .]" 1
348 1 7 GLN H 1 115 VAL MG1 5.500 . 5.500 5.394 5.017 5.515 0.015 18 0 "[ . 1 . 2 .]" 1
349 1 7 GLN H 1 115 VAL MG2 4.500 . 4.500 4.473 4.320 4.508 0.008 18 0 "[ . 1 . 2 .]" 1
350 1 6 ALA MB 1 116 THR HB 4.500 . 4.500 2.632 2.281 3.009 . 0 0 "[ . 1 . 2 .]" 1
351 1 6 ALA MB 1 116 THR MG 3.800 . 3.800 3.562 3.333 3.805 0.005 2 0 "[ . 1 . 2 .]" 1
352 1 6 ALA HA 1 116 THR HB 3.800 . 3.800 3.583 3.251 3.802 0.002 19 0 "[ . 1 . 2 .]" 1
353 1 6 ALA HA 1 116 THR MG 4.500 . 4.500 4.381 4.186 4.514 0.014 13 0 "[ . 1 . 2 .]" 1
354 1 7 GLN H 1 116 THR HB 4.500 . 4.500 4.244 3.750 4.505 0.005 13 0 "[ . 1 . 2 .]" 1
355 1 8 ASP HA 1 118 LEU QB 4.500 . 4.500 3.090 1.952 4.373 . 0 0 "[ . 1 . 2 .]" 1
356 1 9 ARG HE 1 121 SER QB 4.500 . 4.500 3.160 1.950 4.341 . 0 0 "[ . 1 . 2 .]" 1
357 1 9 ARG H 1 121 SER QB 4.500 . 4.500 4.403 3.940 4.531 0.031 19 0 "[ . 1 . 2 .]" 1
358 1 9 ARG QG 1 121 SER QB 4.500 . 4.500 3.103 2.357 3.715 . 0 0 "[ . 1 . 2 .]" 1
359 1 9 ARG QG 1 121 SER HA 4.500 . 4.500 3.128 1.845 4.298 . 0 0 "[ . 1 . 2 .]" 1
360 1 8 ASP H 1 122 PHE QD 4.800 . 4.800 4.656 4.179 4.813 0.013 5 0 "[ . 1 . 2 .]" 1
361 1 9 ARG H 1 122 PHE QD 4.500 . 4.500 4.328 3.548 4.514 0.014 7 0 "[ . 1 . 2 .]" 1
362 1 9 ARG H 1 122 PHE QE 4.600 . 4.600 4.513 4.116 4.608 0.008 15 0 "[ . 1 . 2 .]" 1
363 1 12 LEU MD1 1 124 GLY QA 4.500 . 4.500 2.378 1.777 3.859 . 0 0 "[ . 1 . 2 .]" 1
364 1 12 LEU MD2 1 124 GLY H 4.500 . 4.500 3.697 2.185 4.502 0.002 15 0 "[ . 1 . 2 .]" 1
365 1 12 LEU MD1 1 124 GLY H 3.500 . 3.500 2.966 2.125 3.507 0.007 8 0 "[ . 1 . 2 .]" 1
366 1 15 LYS QB 1 124 GLY QA 5.500 . 5.500 3.259 1.838 4.415 . 0 0 "[ . 1 . 2 .]" 1
367 1 12 LEU MD2 1 125 ASP H 5.500 . 5.500 3.973 2.342 5.505 0.005 8 0 "[ . 1 . 2 .]" 1
368 1 12 LEU MD1 1 125 ASP H 4.500 . 4.500 3.769 2.739 4.514 0.014 3 0 "[ . 1 . 2 .]" 1
369 1 15 LYS HG3 1 125 ASP H 4.500 . 4.500 3.121 1.901 4.506 0.006 10 0 "[ . 1 . 2 .]" 1
370 1 15 LYS HB3 1 125 ASP H 4.500 . 4.500 4.171 2.181 4.510 0.010 15 0 "[ . 1 . 2 .]" 1
371 1 15 LYS QE 1 125 ASP H 4.500 . 4.500 4.041 2.681 4.508 0.008 3 0 "[ . 1 . 2 .]" 1
372 1 13 ILE MD 1 126 THR MG 2.500 . 2.500 2.137 1.801 2.503 0.003 5 0 "[ . 1 . 2 .]" 1
373 1 100 ALA MB 1 126 THR MG 2.600 . 2.600 2.526 2.279 2.616 0.016 25 0 "[ . 1 . 2 .]" 1
374 1 100 ALA H 1 126 THR MG 4.500 . 4.500 4.156 3.556 4.510 0.010 9 0 "[ . 1 . 2 .]" 1
375 1 12 LEU HA 1 127 LYS QB 5.500 . 5.500 3.786 2.144 5.155 . 0 0 "[ . 1 . 2 .]" 1
376 1 3 PHE QE 1 128 MET ME 3.500 . 3.500 3.368 2.908 3.511 0.011 3 0 "[ . 1 . 2 .]" 1
377 1 3 PHE QD 1 128 MET ME 3.500 . 3.500 2.820 2.323 3.103 . 0 0 "[ . 1 . 2 .]" 1
378 1 5 TRP HZ2 1 128 MET ME 3.500 . 3.500 3.000 2.574 3.502 0.002 23 0 "[ . 1 . 2 .]" 1
379 1 13 ILE MG 1 128 MET H 4.500 . 4.500 3.713 3.027 4.467 . 0 0 "[ . 1 . 2 .]" 1
380 1 13 ILE MD 1 128 MET HA 3.500 . 3.500 3.071 2.172 3.501 0.001 16 0 "[ . 1 . 2 .]" 1
381 1 103 PHE QD 1 128 MET ME 3.500 . 3.500 2.959 2.764 3.257 . 0 0 "[ . 1 . 2 .]" 1
382 1 103 PHE HB2 1 128 MET ME 3.500 . 3.500 3.343 3.117 3.508 0.008 12 0 "[ . 1 . 2 .]" 1
383 1 100 ALA HA 1 129 ILE MG 3.500 . 3.500 3.233 2.997 3.376 . 0 0 "[ . 1 . 2 .]" 1
384 1 100 ALA MB 1 129 ILE MG 2.600 . 2.600 2.608 2.601 2.615 0.015 12 0 "[ . 1 . 2 .]" 1
385 1 103 PHE HB2 1 129 ILE MG 3.500 . 3.500 2.661 2.165 2.967 . 0 0 "[ . 1 . 2 .]" 1
386 1 103 PHE HB3 1 129 ILE MG 3.500 . 3.500 3.390 3.023 3.508 0.008 13 0 "[ . 1 . 2 .]" 1
387 1 103 PHE HB2 1 129 ILE MD 3.500 . 3.500 3.403 3.089 3.508 0.008 8 0 "[ . 1 . 2 .]" 1
388 1 103 PHE HB3 1 129 ILE MD 4.500 . 4.500 2.398 1.935 2.648 . 0 0 "[ . 1 . 2 .]" 1
389 1 104 THR HB 1 129 ILE HB 3.500 . 3.500 2.283 1.936 3.033 . 0 0 "[ . 1 . 2 .]" 1
390 1 104 THR HB 1 129 ILE MD 2.500 . 2.500 2.188 1.914 2.511 0.011 19 0 "[ . 1 . 2 .]" 1
391 1 104 THR MG 1 129 ILE MD 3.800 . 3.800 3.509 3.108 3.721 . 0 0 "[ . 1 . 2 .]" 1
392 1 104 THR H 1 129 ILE MD 3.500 . 3.500 2.820 2.632 2.993 . 0 0 "[ . 1 . 2 .]" 1
393 1 104 THR H 1 129 ILE HG12 4.500 . 4.500 2.866 2.367 3.559 . 0 0 "[ . 1 . 2 .]" 1
394 1 104 THR H 1 129 ILE MG 3.500 . 3.500 2.383 2.063 3.165 . 0 0 "[ . 1 . 2 .]" 1
395 1 104 THR HB 1 129 ILE MG 3.500 . 3.500 2.265 1.901 2.877 . 0 0 "[ . 1 . 2 .]" 1
396 1 107 LYS H 1 129 ILE MD 4.500 . 4.500 3.969 3.802 4.302 . 0 0 "[ . 1 . 2 .]" 1
397 1 107 LYS QD 1 129 ILE MD 3.500 . 3.500 2.335 1.965 2.607 . 0 0 "[ . 1 . 2 .]" 1
398 1 5 TRP HZ2 1 131 LEU MD1 3.500 . 3.500 2.328 1.985 2.711 . 0 0 "[ . 1 . 2 .]" 1
399 1 113 LEU MD1 1 131 LEU MD2 4.500 . 4.500 2.303 1.949 2.705 . 0 0 "[ . 1 . 2 .]" 1
400 1 113 LEU MD2 1 131 LEU MD1 3.500 . 3.500 2.427 1.941 2.876 . 0 0 "[ . 1 . 2 .]" 1
401 1 113 LEU MD1 1 131 LEU MD1 3.500 . 3.500 2.885 2.482 3.292 . 0 0 "[ . 1 . 2 .]" 1
402 1 113 LEU MD1 1 133 TRP HZ3 3.500 . 3.500 2.170 1.944 2.367 . 0 0 "[ . 1 . 2 .]" 1
403 1 113 LEU HB2 1 133 TRP HH2 4.500 . 4.500 4.099 3.897 4.344 . 0 0 "[ . 1 . 2 .]" 1
404 1 113 LEU MD1 1 133 TRP HE3 3.500 . 3.500 2.818 2.495 3.096 . 0 0 "[ . 1 . 2 .]" 1
405 1 113 LEU MD1 1 133 TRP HH2 3.500 . 3.500 3.340 3.208 3.456 . 0 0 "[ . 1 . 2 .]" 1
406 1 113 LEU MD1 1 133 TRP HZ2 4.600 . 4.600 4.565 4.402 4.612 0.012 2 0 "[ . 1 . 2 .]" 1
407 1 114 LEU H 1 133 TRP HH2 5.500 . 5.500 5.323 4.793 5.504 0.004 10 0 "[ . 1 . 2 .]" 1
408 1 115 VAL MG1 1 133 TRP HH2 2.500 . 2.500 1.871 1.724 2.025 . 0 0 "[ . 1 . 2 .]" 1
409 1 115 VAL MG2 1 133 TRP HH2 3.500 . 3.500 3.133 2.694 3.490 . 0 0 "[ . 1 . 2 .]" 1
410 1 115 VAL MG1 1 133 TRP HZ3 3.500 . 3.500 3.303 3.044 3.500 0.000 3 0 "[ . 1 . 2 .]" 1
411 1 115 VAL MG2 1 133 TRP HZ2 4.500 . 4.500 4.159 3.714 4.486 . 0 0 "[ . 1 . 2 .]" 1
412 1 115 VAL MG1 1 133 TRP HZ2 4.500 . 4.500 3.138 2.877 3.351 . 0 0 "[ . 1 . 2 .]" 1
413 1 110 VAL MG1 1 136 PHE QE 3.500 . 3.500 2.230 1.926 2.584 . 0 0 "[ . 1 . 2 .]" 1
414 1 113 LEU HG 1 136 PHE QD 4.500 . 4.500 3.079 2.665 3.401 . 0 0 "[ . 1 . 2 .]" 1
415 1 113 LEU H 1 136 PHE QD 4.500 . 4.500 4.033 3.598 4.308 . 0 0 "[ . 1 . 2 .]" 1
416 1 113 LEU MD1 1 136 PHE HB2 3.500 . 3.500 2.562 2.330 2.712 . 0 0 "[ . 1 . 2 .]" 1
417 1 113 LEU MD1 1 136 PHE QD 3.500 . 3.500 2.612 2.458 2.744 . 0 0 "[ . 1 . 2 .]" 1
418 1 113 LEU MD1 1 136 PHE QE 3.500 . 3.500 3.202 2.945 3.429 . 0 0 "[ . 1 . 2 .]" 1
419 1 113 LEU MD2 1 136 PHE QE 3.500 . 3.500 3.153 2.787 3.440 . 0 0 "[ . 1 . 2 .]" 1
420 1 113 LEU H 1 136 PHE QE 4.800 . 4.800 4.615 3.996 4.806 0.006 20 0 "[ . 1 . 2 .]" 1
421 1 131 LEU MD2 1 136 PHE QD 3.600 . 3.600 3.590 3.432 3.631 0.031 12 0 "[ . 1 . 2 .]" 1
422 1 113 LEU HG 1 137 THR H 6.000 . 6.000 5.809 5.411 6.001 0.001 7 0 "[ . 1 . 2 .]" 1
423 1 113 LEU MD1 1 137 THR H 4.600 . 4.600 4.521 4.310 4.610 0.010 16 0 "[ . 1 . 2 .]" 1
424 1 120 GLY HA2 1 150 ALA MB 3.500 . 3.500 3.068 2.356 3.504 0.004 17 0 "[ . 1 . 2 .]" 1
425 1 120 GLY HA3 1 150 ALA MB 3.500 . 3.500 2.275 1.889 2.889 . 0 0 "[ . 1 . 2 .]" 1
426 1 120 GLY H 1 150 ALA MB 3.600 . 3.600 3.607 3.593 3.613 0.013 6 0 "[ . 1 . 2 .]" 1
427 1 146 ASP HB3 1 151 LEU HB2 4.500 . 4.500 3.994 3.385 4.384 . 0 0 "[ . 1 . 2 .]" 1
428 1 144 VAL H 1 152 THR MG 4.500 . 4.500 3.335 3.039 4.221 . 0 0 "[ . 1 . 2 .]" 1
429 1 145 GLU HG2 1 152 THR MG 3.500 . 3.500 2.220 1.844 3.098 . 0 0 "[ . 1 . 2 .]" 1
430 1 145 GLU HG3 1 152 THR MG 3.500 . 3.500 3.400 3.146 3.500 0.000 6 0 "[ . 1 . 2 .]" 1
431 1 145 GLU HA 1 152 THR MG 2.500 . 2.500 1.991 1.862 2.182 . 0 0 "[ . 1 . 2 .]" 1
432 1 145 GLU QB 1 152 THR MG 3.500 . 3.500 3.325 2.148 3.512 0.012 2 0 "[ . 1 . 2 .]" 1
433 1 146 ASP H 1 152 THR MG 3.500 . 3.500 3.231 2.943 3.503 0.003 7 0 "[ . 1 . 2 .]" 1
434 1 146 ASP H 1 152 THR HB 4.600 . 4.600 4.573 4.119 4.614 0.014 25 0 "[ . 1 . 2 .]" 1
435 1 146 ASP QB 1 152 THR H 4.500 . 4.500 4.394 4.058 4.505 0.005 23 0 "[ . 1 . 2 .]" 1
436 1 117 ARG QB 1 153 HIS HA 4.500 . 4.500 4.164 3.785 4.462 . 0 0 "[ . 1 . 2 .]" 1
437 1 118 LEU HG 1 153 HIS HA 4.500 . 4.500 3.595 2.988 4.502 0.002 19 0 "[ . 1 . 2 .]" 1
438 1 144 VAL QG 1 153 HIS H 4.500 . 4.500 3.972 2.762 4.402 . 0 0 "[ . 1 . 2 .]" 1
439 1 116 THR MG 1 154 THR H 4.500 . 4.500 3.589 3.245 4.021 . 0 0 "[ . 1 . 2 .]" 1
440 1 117 ARG QB 1 154 THR HB 3.500 . 3.500 2.240 1.863 2.698 . 0 0 "[ . 1 . 2 .]" 1
441 1 117 ARG QB 1 154 THR H 4.500 . 4.500 3.105 2.832 3.434 . 0 0 "[ . 1 . 2 .]" 1
442 1 141 SER HA 1 154 THR MG 3.500 . 3.500 3.419 3.222 3.509 0.009 6 0 "[ . 1 . 2 .]" 1
443 1 141 SER HB2 1 154 THR MG 3.500 . 3.500 3.215 2.954 3.466 . 0 0 "[ . 1 . 2 .]" 1
444 1 143 THR MG 1 154 THR H 3.600 . 3.600 3.621 3.613 3.630 0.030 20 0 "[ . 1 . 2 .]" 1
445 1 143 THR H 1 154 THR MG 4.500 . 4.500 2.706 2.536 2.930 . 0 0 "[ . 1 . 2 .]" 1
446 1 143 THR HA 1 154 THR MG 3.500 . 3.500 2.284 1.954 2.644 . 0 0 "[ . 1 . 2 .]" 1
447 1 143 THR H 1 154 THR HB 5.500 . 5.500 5.512 5.503 5.525 0.025 10 0 "[ . 1 . 2 .]" 1
448 1 144 VAL H 1 154 THR HB 5.600 . 5.600 5.304 5.008 5.437 . 0 0 "[ . 1 . 2 .]" 1
449 1 144 VAL H 1 154 THR MG 4.600 . 4.600 4.146 3.770 4.440 . 0 0 "[ . 1 . 2 .]" 1
450 1 144 VAL QG 1 154 THR H 4.900 . 4.900 4.883 4.313 4.916 0.016 20 0 "[ . 1 . 2 .]" 1
451 1 142 ARG QB 1 155 TYR QB 4.500 . 4.500 3.972 3.302 4.435 . 0 0 "[ . 1 . 2 .]" 1
452 1 142 ARG HB3 1 155 TYR H 4.500 . 4.500 4.357 3.827 4.510 0.010 21 0 "[ . 1 . 2 .]" 1
453 1 144 VAL QG 1 155 TYR QE 3.500 . 3.500 2.138 1.818 3.008 . 0 0 "[ . 1 . 2 .]" 1
454 1 144 VAL QG 1 155 TYR QD 2.500 . 2.500 2.280 1.897 2.512 0.012 3 0 "[ . 1 . 2 .]" 1
455 1 115 VAL MG1 1 156 GLU HB3 4.500 . 4.500 4.403 4.036 4.513 0.013 7 0 "[ . 1 . 2 .]" 1
456 1 115 VAL MG2 1 156 GLU HB3 3.500 . 3.500 3.226 3.019 3.402 . 0 0 "[ . 1 . 2 .]" 1
457 1 115 VAL MG2 1 156 GLU H 4.500 . 4.500 3.100 2.850 3.436 . 0 0 "[ . 1 . 2 .]" 1
458 1 115 VAL MG1 1 156 GLU H 5.500 . 5.500 4.853 4.634 5.078 . 0 0 "[ . 1 . 2 .]" 1
459 1 138 LYS HD2 1 156 GLU HA 4.500 . 4.500 3.831 3.239 4.132 . 0 0 "[ . 1 . 2 .]" 1
460 1 112 THR MG 1 157 VAL QG 2.800 . 2.800 2.666 2.510 2.816 0.016 14 0 "[ . 1 . 2 .]" 1
461 1 112 THR HA 1 157 VAL QG 5.500 . 5.500 4.837 4.659 5.054 . 0 0 "[ . 1 . 2 .]" 1
462 1 112 THR MG 1 157 VAL HA 4.500 . 4.500 4.068 3.909 4.169 . 0 0 "[ . 1 . 2 .]" 1
463 1 114 LEU MD2 1 157 VAL HB 4.500 . 4.500 4.240 4.081 4.504 0.004 22 0 "[ . 1 . 2 .]" 1
464 1 139 VAL QG 1 157 VAL H 4.000 . 4.000 3.721 3.495 3.929 . 0 0 "[ . 1 . 2 .]" 1
465 1 139 VAL QG 1 157 VAL HB 2.500 . 2.500 2.044 1.866 2.264 . 0 0 "[ . 1 . 2 .]" 1
466 1 140 SER HB2 1 157 VAL QG 2.500 . 2.500 2.330 1.912 2.504 0.004 9 0 "[ . 1 . 2 .]" 1
467 1 140 SER HB3 1 157 VAL QG 3.500 . 3.500 3.191 2.797 3.525 0.025 19 0 "[ . 1 . 2 .]" 1
468 1 140 SER QB 1 157 VAL HB 3.500 . 3.500 2.103 1.930 2.746 . 0 0 "[ . 1 . 2 .]" 1
469 1 140 SER HB2 1 157 VAL H 3.500 . 3.500 3.335 2.958 3.509 0.009 22 0 "[ . 1 . 2 .]" 1
470 1 112 THR MG 1 158 TRP H 3.500 . 3.500 3.431 3.155 3.504 0.004 7 0 "[ . 1 . 2 .]" 1
471 1 113 LEU HG 1 158 TRP QB 4.500 . 4.500 2.896 2.592 3.108 . 0 0 "[ . 1 . 2 .]" 1
472 1 113 LEU H 1 158 TRP QB 4.500 . 4.500 2.444 2.189 2.678 . 0 0 "[ . 1 . 2 .]" 1
473 1 113 LEU QB 1 158 TRP QB 5.500 . 5.500 1.846 1.702 1.947 . 0 0 "[ . 1 . 2 .]" 1
474 1 113 LEU MD1 1 158 TRP HD1 3.900 . 3.900 3.834 3.508 3.908 0.008 17 0 "[ . 1 . 2 .]" 1
475 1 113 LEU MD2 1 158 TRP QB 4.500 . 4.500 4.037 3.900 4.118 . 0 0 "[ . 1 . 2 .]" 1
476 1 113 LEU HG 1 158 TRP HB2 4.500 . 4.500 2.959 2.640 3.176 . 0 0 "[ . 1 . 2 .]" 1
477 1 113 LEU MD1 1 158 TRP QB 3.500 . 3.500 2.256 2.024 2.559 . 0 0 "[ . 1 . 2 .]" 1
478 1 114 LEU H 1 158 TRP HD1 4.600 . 4.600 4.590 4.457 4.615 0.015 24 0 "[ . 1 . 2 .]" 1
479 1 114 LEU MD2 1 158 TRP H 4.500 . 4.500 3.301 2.932 3.748 . 0 0 "[ . 1 . 2 .]" 1
480 1 114 LEU HA 1 158 TRP HD1 3.800 . 3.800 3.579 3.337 3.787 . 0 0 "[ . 1 . 2 .]" 1
481 1 115 VAL MG1 1 158 TRP HE1 5.500 . 5.500 3.192 2.893 3.456 . 0 0 "[ . 1 . 2 .]" 1
482 1 115 VAL MG1 1 158 TRP HD1 3.500 . 3.500 3.295 3.083 3.434 . 0 0 "[ . 1 . 2 .]" 1
483 1 115 VAL MG2 1 158 TRP HE1 3.500 . 3.500 2.803 2.337 3.081 . 0 0 "[ . 1 . 2 .]" 1
484 1 115 VAL MG2 1 158 TRP HD1 5.500 . 5.500 4.046 3.727 4.260 . 0 0 "[ . 1 . 2 .]" 1
485 1 115 VAL QG 1 158 TRP H 5.500 . 5.500 4.719 4.575 4.899 . 0 0 "[ . 1 . 2 .]" 1
486 1 133 TRP HZ3 1 158 TRP HD1 4.500 . 4.500 3.116 2.984 3.354 . 0 0 "[ . 1 . 2 .]" 1
487 1 136 PHE HB2 1 158 TRP HE3 4.500 . 4.500 3.523 3.330 3.738 . 0 0 "[ . 1 . 2 .]" 1
488 1 136 PHE HB3 1 158 TRP HE3 3.500 . 3.500 3.192 2.928 3.503 0.003 18 0 "[ . 1 . 2 .]" 1
489 1 137 THR MG 1 158 TRP HE3 4.500 . 4.500 4.450 4.349 4.511 0.011 2 0 "[ . 1 . 2 .]" 1
490 1 137 THR H 1 158 TRP HE3 3.500 . 3.500 3.399 3.248 3.510 0.010 4 0 "[ . 1 . 2 .]" 1
491 1 137 THR HB 1 158 TRP HE3 5.500 . 5.500 5.047 4.912 5.144 . 0 0 "[ . 1 . 2 .]" 1
492 1 137 THR HA 1 158 TRP HE3 3.500 . 3.500 3.035 2.881 3.168 . 0 0 "[ . 1 . 2 .]" 1
493 1 138 LYS QG 1 158 TRP HE3 . . 5.000 4.825 4.604 4.960 . 0 0 "[ . 1 . 2 .]" 1
494 1 138 LYS HA 1 158 TRP HE3 3.500 . 3.500 3.075 2.924 3.244 . 0 0 "[ . 1 . 2 .]" 1
495 1 138 LYS H 1 158 TRP HE3 3.500 . 3.500 3.118 3.000 3.236 . 0 0 "[ . 1 . 2 .]" 1
496 1 138 LYS QE 1 158 TRP HZ2 4.500 . 4.500 3.656 2.496 4.276 . 0 0 "[ . 1 . 2 .]" 1
497 1 138 LYS HB3 1 158 TRP HE3 4.600 . 4.600 4.570 4.492 4.609 0.009 17 0 "[ . 1 . 2 .]" 1
498 1 138 LYS HB2 1 158 TRP HE3 3.500 . 3.500 3.316 3.235 3.377 . 0 0 "[ . 1 . 2 .]" 1
499 1 138 LYS QD 1 158 TRP HZ2 3.500 . 3.500 2.676 2.555 2.824 . 0 0 "[ . 1 . 2 .]" 1
500 1 139 VAL QG 1 158 TRP H 4.500 . 4.500 3.748 3.613 3.923 . 0 0 "[ . 1 . 2 .]" 1
501 1 139 VAL QG 1 158 TRP HA 2.800 . 2.800 2.674 2.568 2.790 . 0 0 "[ . 1 . 2 .]" 1
502 1 110 VAL MG1 1 159 GLN HA 5.500 . 5.500 5.339 5.141 5.504 0.004 3 0 "[ . 1 . 2 .]" 1
503 1 112 THR MG 1 159 GLN HG3 3.600 . 3.600 3.413 2.954 3.613 0.013 7 0 "[ . 1 . 2 .]" 1
504 1 112 THR MG 1 159 GLN HG2 3.500 . 3.500 3.002 2.522 3.502 0.002 24 0 "[ . 1 . 2 .]" 1
505 1 112 THR MG 1 159 GLN HA 3.500 . 3.500 3.347 3.129 3.498 . 0 0 "[ . 1 . 2 .]" 1
506 1 113 LEU MD1 1 159 GLN H 5.500 . 5.500 4.967 4.831 5.251 . 0 0 "[ . 1 . 2 .]" 1
507 1 113 LEU HB2 1 159 GLN H 5.800 . 5.800 5.599 5.422 5.723 . 0 0 "[ . 1 . 2 .]" 1
508 1 136 PHE QD 1 159 GLN H 4.500 . 4.500 4.062 3.738 4.289 . 0 0 "[ . 1 . 2 .]" 1
509 1 136 PHE QB 1 159 GLN H 4.500 . 4.500 3.643 3.471 3.968 . 0 0 "[ . 1 . 2 .]" 1
510 1 136 PHE QD 1 159 GLN HA 3.600 . 3.600 3.502 3.135 3.622 0.022 12 0 "[ . 1 . 2 .]" 1
511 1 137 THR MG 1 159 GLN H 3.600 . 3.600 3.521 3.270 3.606 0.006 3 0 "[ . 1 . 2 .]" 1
512 1 137 THR MG 1 159 GLN QB 3.500 . 3.500 3.403 3.095 3.506 0.006 6 0 "[ . 1 . 2 .]" 1
513 1 137 THR HB 1 159 GLN HB3 4.600 . 4.600 4.559 4.356 4.611 0.011 5 0 "[ . 1 . 2 .]" 1
514 1 137 THR HB 1 159 GLN H 4.500 . 4.500 3.618 3.368 3.775 . 0 0 "[ . 1 . 2 .]" 1
515 1 138 LYS QB 1 159 GLN H 5.500 . 5.500 5.434 5.358 5.486 . 0 0 "[ . 1 . 2 .]" 1
516 1 139 VAL QG 1 159 GLN HA 5.500 . 5.500 3.729 3.626 3.840 . 0 0 "[ . 1 . 2 .]" 1
517 1 139 VAL QG 1 159 GLN QG 4.500 . 4.500 2.092 1.854 2.336 . 0 0 "[ . 1 . 2 .]" 1
518 1 139 VAL HB 1 159 GLN H 5.600 . 5.600 5.609 5.601 5.620 0.020 7 0 "[ . 1 . 2 .]" 1
519 1 139 VAL QG 1 159 GLN HG3 2.500 . 2.500 2.116 1.866 2.377 . 0 0 "[ . 1 . 2 .]" 1
520 1 139 VAL QG 1 159 GLN HE22 3.500 . 3.500 3.280 2.848 3.500 . 0 0 "[ . 1 . 2 .]" 1
521 1 139 VAL QG 1 159 GLN HE21 3.500 . 3.500 2.374 1.816 3.502 0.002 10 0 "[ . 1 . 2 .]" 1
522 1 139 VAL QG 1 159 GLN HB2 3.500 . 3.500 1.895 1.787 2.178 . 0 0 "[ . 1 . 2 .]" 1
523 1 139 VAL QG 1 159 GLN H 3.500 . 3.500 2.605 2.505 2.729 . 0 0 "[ . 1 . 2 .]" 1
524 1 111 ASP QB 1 160 LYS H 4.600 . 4.600 4.528 4.367 4.608 0.008 20 0 "[ . 1 . 2 .]" 1
525 1 111 ASP QB 1 160 LYS QD 4.500 . 4.500 3.953 3.395 4.501 0.001 19 0 "[ . 1 . 2 .]" 1
526 1 111 ASP QB 1 160 LYS QB 5.500 . 5.500 3.601 3.436 3.790 . 0 0 "[ . 1 . 2 .]" 1
527 1 111 ASP HA 1 160 LYS QG 3.500 . 3.500 3.378 3.032 3.509 0.009 25 0 "[ . 1 . 2 .]" 1
528 1 136 PHE QD 1 160 LYS H 3.500 . 3.500 2.526 2.377 2.710 . 0 0 "[ . 1 . 2 .]" 1
529 1 136 PHE QD 1 160 LYS HA 3.500 . 3.500 2.413 2.201 2.758 . 0 0 "[ . 1 . 2 .]" 1
530 1 136 PHE QE 1 160 LYS HA 4.000 . 4.000 3.643 3.318 3.783 . 0 0 "[ . 1 . 2 .]" 1
531 1 136 PHE QE 1 160 LYS H 3.500 . 3.500 3.178 2.913 3.404 . 0 0 "[ . 1 . 2 .]" 1
532 1 137 THR MG 1 160 LYS HA 6.000 . 6.000 5.938 5.754 6.009 0.009 17 0 "[ . 1 . 2 .]" 1
533 1 136 PHE HA 1 161 LYS HG2 4.500 . 4.500 3.491 2.887 4.510 0.010 24 0 "[ . 1 . 2 .]" 1
534 1 136 PHE HA 1 161 LYS HG3 4.500 . 4.500 3.460 2.311 4.145 . 0 0 "[ . 1 . 2 .]" 1
535 1 136 PHE QD 1 161 LYS H 4.500 . 4.500 4.299 4.072 4.497 . 0 0 "[ . 1 . 2 .]" 1
536 1 136 PHE QB 1 161 LYS H 4.500 . 4.500 4.456 4.235 4.517 0.017 18 0 "[ . 1 . 2 .]" 1
537 1 137 THR MG 1 161 LYS QE 3.500 . 3.500 3.179 1.890 3.550 0.050 3 0 "[ . 1 . 2 .]" 1
538 1 137 THR HB 1 161 LYS QE 3.500 . 3.500 2.962 2.034 3.519 0.019 16 0 "[ . 1 . 2 .]" 1
539 1 137 THR HB 1 161 LYS HG3 4.500 . 4.500 3.419 2.049 4.504 0.004 4 0 "[ . 1 . 2 .]" 1
540 1 137 THR H 1 161 LYS QE 4.500 . 4.500 4.340 3.844 4.529 0.029 24 0 "[ . 1 . 2 .]" 1
541 1 137 THR H 1 161 LYS HG3 4.500 . 4.500 4.113 3.279 4.508 0.008 19 0 "[ . 1 . 2 .]" 1
542 1 137 THR MG 1 161 LYS H 6.000 . 6.000 5.682 5.230 6.005 0.005 11 0 "[ . 1 . 2 .]" 1
543 1 8 ASP H 1 12 LEU H 4.500 . 4.500 2.502 1.963 3.708 . 0 0 "[ . 1 . 2 .]" 1
544 1 78 ASP H 1 82 VAL H 4.500 . 4.500 4.054 3.827 4.241 . 0 0 "[ . 1 . 2 .]" 1
545 1 8 ASP H 1 11 GLY H 4.500 . 4.500 2.862 2.699 3.105 . 0 0 "[ . 1 . 2 .]" 1
546 1 78 ASP H 1 81 ALA H 3.500 . 3.500 3.048 2.969 3.174 . 0 0 "[ . 1 . 2 .]" 1
547 1 84 ALA H 1 87 LYS H 4.600 . 4.600 4.523 4.357 4.624 0.024 11 0 "[ . 1 . 2 .]" 1
548 1 99 GLY H 1 102 ILE H 4.500 . 4.500 3.456 3.303 3.630 . 0 0 "[ . 1 . 2 .]" 1
549 1 104 THR H 1 107 LYS H 5.000 . 5.000 4.845 4.611 4.927 . 0 0 "[ . 1 . 2 .]" 1
550 1 107 LYS H 1 110 VAL H 5.000 . 5.000 4.607 4.522 4.683 . 0 0 "[ . 1 . 2 .]" 1
551 1 148 ASN H 1 151 LEU H 4.500 . 4.500 4.492 4.424 4.516 0.016 17 0 "[ . 1 . 2 .]" 1
552 1 10 ASP H 1 12 LEU H 4.500 . 4.500 3.935 3.596 4.331 . 0 0 "[ . 1 . 2 .]" 1
553 1 66 GLU H 1 68 TYR H 4.500 . 4.500 4.039 3.816 4.294 . 0 0 "[ . 1 . 2 .]" 1
554 1 71 GLN H 1 73 ALA H 4.500 . 4.500 3.957 3.726 4.389 . 0 0 "[ . 1 . 2 .]" 1
555 1 78 ASP H 1 80 ALA H 4.500 . 4.500 3.992 3.918 4.100 . 0 0 "[ . 1 . 2 .]" 1
556 1 80 ALA H 1 82 VAL H 4.500 . 4.500 3.668 3.589 3.736 . 0 0 "[ . 1 . 2 .]" 1
557 1 81 ALA H 1 83 PHE H 4.500 . 4.500 4.306 4.205 4.438 . 0 0 "[ . 1 . 2 .]" 1
558 1 85 TYR H 1 87 LYS H 4.500 . 4.500 3.718 3.612 3.830 . 0 0 "[ . 1 . 2 .]" 1
559 1 87 LYS H 1 89 HIS H 4.500 . 4.500 3.617 3.522 3.685 . 0 0 "[ . 1 . 2 .]" 1
560 1 89 HIS H 1 91 ASP H 5.500 . 5.500 4.927 4.867 4.962 . 0 0 "[ . 1 . 2 .]" 1
561 1 102 ILE H 1 104 THR H 5.500 . 5.500 4.627 4.521 4.742 . 0 0 "[ . 1 . 2 .]" 1
562 1 106 PHE H 1 108 ASP H 4.600 . 4.600 4.520 4.362 4.609 0.009 13 0 "[ . 1 . 2 .]" 1
563 1 107 LYS H 1 109 ASP H 4.500 . 4.500 4.090 4.033 4.225 . 0 0 "[ . 1 . 2 .]" 1
564 1 108 ASP H 1 110 VAL H 4.500 . 4.500 3.970 3.823 4.081 . 0 0 "[ . 1 . 2 .]" 1
565 1 132 ASN H 1 134 ASP H 5.500 . 5.500 5.302 5.255 5.380 . 0 0 "[ . 1 . 2 .]" 1
566 1 133 TRP H 1 135 ASP H 4.500 . 4.500 4.304 4.206 4.398 . 0 0 "[ . 1 . 2 .]" 1
567 1 150 ALA H 1 152 THR H 4.500 . 4.500 4.089 3.781 4.219 . 0 0 "[ . 1 . 2 .]" 1
568 1 31 ARG HA 1 34 THR H 4.500 . 4.500 3.853 3.295 4.512 0.012 19 0 "[ . 1 . 2 .]" 1
569 1 43 ARG HA 1 46 TYR H 3.500 . 3.500 3.416 3.293 3.511 0.011 2 0 "[ . 1 . 2 .]" 1
570 1 44 ARG HA 1 47 GLU H 4.500 . 4.500 3.559 3.410 3.805 . 0 0 "[ . 1 . 2 .]" 1
571 1 45 THR HA 1 48 SER H 4.500 . 4.500 3.836 3.599 4.131 . 0 0 "[ . 1 . 2 .]" 1
572 1 46 TYR HA 1 49 PHE H 4.500 . 4.500 3.706 3.563 3.883 . 0 0 "[ . 1 . 2 .]" 1
573 1 78 ASP HA 1 81 ALA H 4.800 . 4.800 4.689 4.626 4.731 . 0 0 "[ . 1 . 2 .]" 1
574 1 79 VAL HA 1 82 VAL H 3.500 . 3.500 3.399 3.339 3.485 . 0 0 "[ . 1 . 2 .]" 1
575 1 80 ALA HA 1 83 PHE H 3.800 . 3.800 3.674 3.624 3.731 . 0 0 "[ . 1 . 2 .]" 1
576 1 82 VAL HA 1 85 TYR H 3.500 . 3.500 3.300 3.199 3.396 . 0 0 "[ . 1 . 2 .]" 1
577 1 83 PHE HA 1 86 ALA H 3.500 . 3.500 3.421 3.235 3.508 0.008 4 0 "[ . 1 . 2 .]" 1
578 1 84 ALA HA 1 87 LYS H 3.500 . 3.500 3.475 3.397 3.520 0.020 12 0 "[ . 1 . 2 .]" 1
579 1 86 ALA HA 1 89 HIS H 3.500 . 3.500 3.139 3.010 3.232 . 0 0 "[ . 1 . 2 .]" 1
580 1 102 ILE HA 1 105 ALA H 3.600 . 3.600 3.479 3.388 3.538 . 0 0 "[ . 1 . 2 .]" 1
581 1 103 PHE HA 1 106 PHE H 4.500 . 4.500 3.814 3.670 3.904 . 0 0 "[ . 1 . 2 .]" 1
582 1 107 LYS HA 1 110 VAL H 4.500 . 4.500 3.397 3.151 3.853 . 0 0 "[ . 1 . 2 .]" 1
583 1 132 ASN HA 1 135 ASP H 4.500 . 4.500 4.025 3.859 4.172 . 0 0 "[ . 1 . 2 .]" 1
584 1 133 TRP HA 1 136 PHE H 3.500 . 3.500 3.239 3.185 3.315 . 0 0 "[ . 1 . 2 .]" 1
585 1 23 LEU HA 1 25 ASP H 4.500 . 4.500 4.028 3.300 4.454 . 0 0 "[ . 1 . 2 .]" 1
586 1 55 PRO HA 1 57 ARG H 5.500 . 5.500 3.970 3.536 4.787 . 0 0 "[ . 1 . 2 .]" 1
587 1 65 GLN HA 1 67 ASP H 4.500 . 4.500 3.758 3.634 3.925 . 0 0 "[ . 1 . 2 .]" 1
588 1 66 GLU HA 1 68 TYR H 4.500 . 4.500 3.854 3.670 4.092 . 0 0 "[ . 1 . 2 .]" 1
589 1 76 VAL HA 1 78 ASP H 4.500 . 4.500 4.204 4.091 4.335 . 0 0 "[ . 1 . 2 .]" 1
590 1 78 ASP HA 1 80 ALA H 4.500 . 4.500 4.134 4.070 4.185 . 0 0 "[ . 1 . 2 .]" 1
591 1 79 VAL HA 1 81 ALA H 4.500 . 4.500 4.250 4.150 4.355 . 0 0 "[ . 1 . 2 .]" 1
592 1 89 HIS HA 1 91 ASP H 3.500 . 3.500 3.083 3.016 3.118 . 0 0 "[ . 1 . 2 .]" 1
593 1 96 ILE HA 1 98 GLY H 5.500 . 5.500 4.060 3.868 4.338 . 0 0 "[ . 1 . 2 .]" 1
594 1 106 PHE HA 1 108 ASP H 4.500 . 4.500 3.539 3.464 3.606 . 0 0 "[ . 1 . 2 .]" 1
595 1 118 LEU HA 1 120 GLY H 5.500 . 5.500 4.192 3.634 4.584 . 0 0 "[ . 1 . 2 .]" 1
596 1 132 ASN HA 1 134 ASP H 3.500 . 3.500 3.174 3.128 3.236 . 0 0 "[ . 1 . 2 .]" 1
597 1 133 TRP HA 1 135 ASP H 4.500 . 4.500 4.017 3.889 4.113 . 0 0 "[ . 1 . 2 .]" 1
598 1 148 ASN HA 1 150 ALA H 4.500 . 4.500 3.860 3.634 4.163 . 0 0 "[ . 1 . 2 .]" 1
599 1 7 GLN QB 1 11 GLY H 4.500 . 4.500 3.961 3.499 4.495 . 0 0 "[ . 1 . 2 .]" 1
600 1 8 ASP HB2 1 11 GLY H 4.500 . 4.500 4.000 2.895 4.313 . 0 0 "[ . 1 . 2 .]" 1
601 1 42 GLY H 1 45 THR HB 4.500 . 4.500 2.549 2.357 2.780 . 0 0 "[ . 1 . 2 .]" 1
602 1 49 PHE QB 1 51 LYS H 3.500 . 3.500 2.986 2.529 3.527 0.027 25 0 "[ . 1 . 2 .]" 1
603 1 54 LEU H 1 57 ARG QB 4.500 . 4.500 3.999 3.552 4.378 . 0 0 "[ . 1 . 2 .]" 1
604 1 54 LEU HB3 1 57 ARG H 4.500 . 4.500 3.603 3.041 4.379 . 0 0 "[ . 1 . 2 .]" 1
605 1 54 LEU HB2 1 57 ARG H 3.500 . 3.500 3.396 2.933 3.520 0.020 15 0 "[ . 1 . 2 .]" 1
606 1 65 GLN QB 1 68 TYR H 3.500 . 3.500 2.801 2.270 3.284 . 0 0 "[ . 1 . 2 .]" 1
607 1 70 ALA MB 1 73 ALA H 3.500 . 3.500 2.926 2.659 3.200 . 0 0 "[ . 1 . 2 .]" 1
608 1 77 HIS H 1 81 ALA MB 3.500 . 3.500 1.950 1.812 2.147 . 0 0 "[ . 1 . 2 .]" 1
609 1 76 VAL HB 1 78 ASP H 3.500 . 3.500 2.819 2.714 2.963 . 0 0 "[ . 1 . 2 .]" 1
610 1 78 ASP H 1 81 ALA MB 2.500 . 2.500 1.986 1.896 2.160 . 0 0 "[ . 1 . 2 .]" 1
611 1 78 ASP QB 1 80 ALA H 3.500 . 3.500 2.214 2.074 2.428 . 0 0 "[ . 1 . 2 .]" 1
612 1 78 ASP QB 1 81 ALA H 4.500 . 4.500 3.198 3.030 3.314 . 0 0 "[ . 1 . 2 .]" 1
613 1 79 VAL HB 1 81 ALA H 5.500 . 5.500 5.373 5.329 5.440 . 0 0 "[ . 1 . 2 .]" 1
614 1 80 ALA MB 1 82 VAL H 4.600 . 4.600 4.460 4.410 4.516 . 0 0 "[ . 1 . 2 .]" 1
615 1 80 ALA MB 1 84 ALA H 5.000 . 5.000 4.923 4.815 4.998 . 0 0 "[ . 1 . 2 .]" 1
616 1 84 ALA MB 1 88 GLN H 5.500 . 5.500 5.024 4.723 5.094 . 0 0 "[ . 1 . 2 .]" 1
617 1 99 GLY H 1 102 ILE HB 4.500 . 4.500 2.829 2.519 3.125 . 0 0 "[ . 1 . 2 .]" 1
618 1 104 THR HB 1 107 LYS H 5.800 . 5.800 5.530 5.216 5.676 . 0 0 "[ . 1 . 2 .]" 1
619 1 118 LEU QB 1 120 GLY H 4.500 . 4.500 3.277 2.727 3.808 . 0 0 "[ . 1 . 2 .]" 1
620 1 132 ASN QB 1 135 ASP H 4.500 . 4.500 2.803 2.635 2.993 . 0 0 "[ . 1 . 2 .]" 1
621 1 132 ASN HB2 1 136 PHE H 5.900 . 5.900 5.896 5.730 5.921 0.021 4 0 "[ . 1 . 2 .]" 1
622 1 138 LYS HB2 1 140 SER H 5.500 . 5.500 5.033 4.836 5.186 . 0 0 "[ . 1 . 2 .]" 1
623 1 146 ASP HB3 1 148 ASN H 4.500 . 4.500 3.301 2.739 3.810 . 0 0 "[ . 1 . 2 .]" 1
624 1 146 ASP HB2 1 148 ASN H 3.500 . 3.500 3.419 2.924 3.504 0.004 4 0 "[ . 1 . 2 .]" 1
625 1 148 ASN H 1 151 LEU HB3 4.600 . 4.600 4.607 4.562 4.620 0.020 18 0 "[ . 1 . 2 .]" 1
626 1 148 ASN H 1 151 LEU HB2 4.500 . 4.500 3.220 3.166 3.258 . 0 0 "[ . 1 . 2 .]" 1
627 1 156 GLU QB 1 158 TRP H 4.800 . 4.800 4.630 4.417 4.739 . 0 0 "[ . 1 . 2 .]" 1
628 1 43 ARG HA 1 46 TYR QB 3.500 . 3.500 2.803 2.611 2.973 . 0 0 "[ . 1 . 2 .]" 1
629 1 44 ARG HA 1 47 GLU HB2 3.500 . 3.500 2.769 2.655 2.909 . 0 0 "[ . 1 . 2 .]" 1
630 1 44 ARG HA 1 47 GLU HB3 4.300 . 4.300 4.244 3.947 4.310 0.010 22 0 "[ . 1 . 2 .]" 1
631 1 45 THR HA 1 48 SER QB 4.500 . 4.500 3.577 3.136 4.448 . 0 0 "[ . 1 . 2 .]" 1
632 1 70 ALA HA 1 73 ALA MB 5.500 . 5.500 4.228 4.022 4.619 . 0 0 "[ . 1 . 2 .]" 1
633 1 73 ALA MB 1 75 VAL HA 5.500 . 5.500 4.846 4.755 4.932 . 0 0 "[ . 1 . 2 .]" 1
634 1 78 ASP HA 1 80 ALA MB 5.500 . 5.500 5.383 5.308 5.449 . 0 0 "[ . 1 . 2 .]" 1
635 1 78 ASP HA 1 81 ALA MB 4.500 . 4.500 4.461 4.395 4.506 0.006 20 0 "[ . 1 . 2 .]" 1
636 1 79 VAL HA 1 82 VAL HB 3.500 . 3.500 2.970 2.770 3.159 . 0 0 "[ . 1 . 2 .]" 1
637 1 80 ALA HA 1 83 PHE QB 3.500 . 3.500 2.843 2.735 2.943 . 0 0 "[ . 1 . 2 .]" 1
638 1 81 ALA HA 1 84 ALA MB 2.500 . 2.500 2.410 2.253 2.506 0.006 14 0 "[ . 1 . 2 .]" 1
639 1 83 PHE HA 1 86 ALA MB 2.500 . 2.500 2.429 2.328 2.502 0.002 19 0 "[ . 1 . 2 .]" 1
640 1 84 ALA HA 1 87 LYS QB 3.500 . 3.500 2.512 2.023 3.046 . 0 0 "[ . 1 . 2 .]" 1
641 1 85 TYR HA 1 88 GLN QB 3.500 . 3.500 3.158 2.897 3.350 . 0 0 "[ . 1 . 2 .]" 1
642 1 86 ALA HA 1 89 HIS QB 4.500 . 4.500 2.320 2.074 2.571 . 0 0 "[ . 1 . 2 .]" 1
643 1 89 HIS HA 1 91 ASP QB 4.100 . 4.100 4.059 3.901 4.117 0.017 17 0 "[ . 1 . 2 .]" 1
644 1 100 ALA HA 1 103 PHE HB3 4.500 . 4.500 4.121 3.792 4.358 . 0 0 "[ . 1 . 2 .]" 1
645 1 100 ALA HA 1 103 PHE HB2 3.500 . 3.500 2.568 2.225 2.820 . 0 0 "[ . 1 . 2 .]" 1
646 1 102 ILE HA 1 105 ALA MB 3.500 . 3.500 2.367 2.123 2.568 . 0 0 "[ . 1 . 2 .]" 1
647 1 104 THR HA 1 107 LYS QB 3.500 . 3.500 1.957 1.881 2.229 . 0 0 "[ . 1 . 2 .]" 1
648 1 133 TRP HA 1 136 PHE QB 4.500 . 4.500 2.704 2.468 2.868 . 0 0 "[ . 1 . 2 .]" 1
649 1 142 ARG QB 1 144 VAL HA 5.600 . 5.600 5.594 5.535 5.619 0.019 5 0 "[ . 1 . 2 .]" 1
650 1 5 TRP HD1 1 7 GLN HA 5.500 . 5.500 4.192 3.842 4.588 . 0 0 "[ . 1 . 2 .]" 1
651 1 7 GLN HE22 1 11 GLY H 4.600 . 4.600 4.583 4.225 4.610 0.010 11 0 "[ . 1 . 2 .]" 1
652 1 7 GLN HE21 1 11 GLY H 4.500 . 4.500 3.514 3.256 4.001 . 0 0 "[ . 1 . 2 .]" 1
653 1 7 GLN HG3 1 11 GLY H 4.600 . 4.600 4.601 4.509 4.609 0.009 2 0 "[ . 1 . 2 .]" 1
654 1 32 ALA HA 1 35 VAL QG 2.500 . 2.500 2.078 1.728 2.502 0.002 23 0 "[ . 1 . 2 .]" 1
655 1 39 MET ME 1 41 VAL MG1 3.500 . 3.500 1.826 1.665 2.133 . 0 0 "[ . 1 . 2 .]" 1
656 1 39 MET ME 1 41 VAL MG2 3.500 . 3.500 2.965 2.329 3.381 . 0 0 "[ . 1 . 2 .]" 1
657 1 41 VAL MG2 1 43 ARG HA 4.500 . 4.500 4.351 4.112 4.500 . 0 0 "[ . 1 . 2 .]" 1
658 1 42 GLY HA3 1 44 ARG H 4.500 . 4.500 3.806 3.662 3.898 . 0 0 "[ . 1 . 2 .]" 1
659 1 42 GLY HA2 1 44 ARG H 4.600 . 4.600 4.515 4.352 4.607 0.007 12 0 "[ . 1 . 2 .]" 1
660 1 42 GLY HA3 1 44 ARG HB3 4.600 . 4.600 4.593 4.506 4.623 0.023 16 0 "[ . 1 . 2 .]" 1
661 1 41 VAL MG2 1 45 THR HB 3.500 . 3.500 3.367 3.046 3.508 0.008 13 0 "[ . 1 . 2 .]" 1
662 1 41 VAL HB 1 45 THR HB 3.500 . 3.500 2.350 2.189 2.665 . 0 0 "[ . 1 . 2 .]" 1
663 1 42 GLY H 1 45 THR MG 3.500 . 3.500 3.225 3.080 3.461 . 0 0 "[ . 1 . 2 .]" 1
664 1 43 ARG HD3 1 45 THR H 4.600 . 4.600 4.543 4.108 4.612 0.012 16 0 "[ . 1 . 2 .]" 1
665 1 45 THR MG 1 48 SER H 5.500 . 5.500 5.099 4.850 5.425 . 0 0 "[ . 1 . 2 .]" 1
666 1 54 LEU HB2 1 57 ARG HB2 5.500 . 5.500 1.915 1.613 2.318 . 0 0 "[ . 1 . 2 .]" 1
667 1 57 ARG QB 1 59 ASN QD 4.500 . 4.500 2.196 1.726 2.796 . 0 0 "[ . 1 . 2 .]" 1
668 1 58 THR MG 1 60 VAL HA 5.500 . 5.500 4.879 4.589 5.144 . 0 0 "[ . 1 . 2 .]" 1
669 1 61 VAL HB 1 63 THR MG 4.000 . 4.000 3.914 3.596 4.002 0.002 16 0 "[ . 1 . 2 .]" 1
670 1 61 VAL MG1 1 63 THR MG 2.500 . 2.500 2.289 1.980 2.500 . 0 0 "[ . 1 . 2 .]" 1
671 1 61 VAL MG1 1 63 THR HB 4.500 . 4.500 3.285 3.056 3.583 . 0 0 "[ . 1 . 2 .]" 1
672 1 63 THR MG 1 65 GLN H 3.500 . 3.500 2.722 2.442 3.271 . 0 0 "[ . 1 . 2 .]" 1
673 1 63 THR MG 1 65 GLN QB 3.500 . 3.500 2.544 2.109 3.034 . 0 0 "[ . 1 . 2 .]" 1
674 1 63 THR MG 1 67 ASP H 5.500 . 5.500 5.279 4.840 5.517 0.017 2 0 "[ . 1 . 2 .]" 1
675 1 65 GLN QE 1 67 ASP H 5.500 . 5.500 3.492 2.761 4.305 . 0 0 "[ . 1 . 2 .]" 1
676 1 65 GLN QG 1 67 ASP H 3.500 . 3.500 2.076 1.766 2.587 . 0 0 "[ . 1 . 2 .]" 1
677 1 65 GLN HE21 1 67 ASP H 4.500 . 4.500 3.623 2.793 4.513 0.013 24 0 "[ . 1 . 2 .]" 1
678 1 65 GLN QG 1 68 TYR H 3.500 . 3.500 2.777 2.078 3.509 0.009 16 0 "[ . 1 . 2 .]" 1
679 1 65 GLN HE21 1 68 TYR H 4.500 . 4.500 3.856 2.469 4.512 0.012 25 0 "[ . 1 . 2 .]" 1
680 1 65 GLN QB 1 68 TYR HB3 3.500 . 3.500 3.341 2.960 3.486 . 0 0 "[ . 1 . 2 .]" 1
681 1 65 GLN QB 1 68 TYR HB2 3.500 . 3.500 1.752 1.486 1.924 . 0 0 "[ . 1 . 2 .]" 1
682 1 68 TYR QE 1 70 ALA MB 3.500 . 3.500 3.276 2.907 3.509 0.009 21 0 "[ . 1 . 2 .]" 1
683 1 68 TYR QD 1 70 ALA H 4.600 . 4.600 4.552 4.482 4.609 0.009 21 0 "[ . 1 . 2 .]" 1
684 1 68 TYR QD 1 70 ALA MB 3.700 . 3.700 3.664 3.538 3.709 0.009 11 0 "[ . 1 . 2 .]" 1
685 1 76 VAL MG1 1 78 ASP H 4.500 . 4.500 4.372 4.255 4.492 . 0 0 "[ . 1 . 2 .]" 1
686 1 76 VAL MG2 1 78 ASP H 3.500 . 3.500 3.399 3.133 3.512 0.012 3 0 "[ . 1 . 2 .]" 1
687 1 78 ASP QB 1 80 ALA MB 3.500 . 3.500 2.993 2.750 3.171 . 0 0 "[ . 1 . 2 .]" 1
688 1 78 ASP QB 1 81 ALA MB 3.600 . 3.600 3.588 3.478 3.612 0.012 10 0 "[ . 1 . 2 .]" 1
689 1 79 VAL QG 1 81 ALA H 5.000 . 5.000 4.728 4.669 4.795 . 0 0 "[ . 1 . 2 .]" 1
690 1 78 ASP H 1 82 VAL MG2 4.500 . 4.500 3.768 3.610 3.926 . 0 0 "[ . 1 . 2 .]" 1
691 1 78 ASP HA 1 82 VAL MG2 4.500 . 4.500 4.253 4.051 4.456 . 0 0 "[ . 1 . 2 .]" 1
692 1 79 VAL QG 1 82 VAL H 4.500 . 4.500 4.276 4.209 4.352 . 0 0 "[ . 1 . 2 .]" 1
693 1 79 VAL QG 1 82 VAL HB 3.500 . 3.500 3.360 3.229 3.497 . 0 0 "[ . 1 . 2 .]" 1
694 1 79 VAL H 1 82 VAL MG2 4.500 . 4.500 4.284 4.064 4.503 0.003 16 0 "[ . 1 . 2 .]" 1
695 1 79 VAL HA 1 82 VAL MG2 3.500 . 3.500 2.462 2.120 2.877 . 0 0 "[ . 1 . 2 .]" 1
696 1 79 VAL QG 1 83 PHE QE 3.500 . 3.500 2.033 1.900 2.203 . 0 0 "[ . 1 . 2 .]" 1
697 1 79 VAL QG 1 83 PHE QD 3.000 . 3.000 2.660 2.324 2.901 . 0 0 "[ . 1 . 2 .]" 1
698 1 79 VAL QG 1 83 PHE H 4.500 . 4.500 3.787 3.693 3.862 . 0 0 "[ . 1 . 2 .]" 1
699 1 80 ALA MB 1 83 PHE QB 4.500 . 4.500 4.217 4.131 4.299 . 0 0 "[ . 1 . 2 .]" 1
700 1 80 ALA HA 1 83 PHE QD 3.100 . 3.100 3.045 2.870 3.106 0.006 13 0 "[ . 1 . 2 .]" 1
701 1 82 VAL MG2 1 84 ALA H 5.500 . 5.500 4.940 4.852 5.017 . 0 0 "[ . 1 . 2 .]" 1
702 1 82 VAL MG1 1 86 ALA MB 3.500 . 3.500 3.348 3.051 3.507 0.007 9 0 "[ . 1 . 2 .]" 1
703 1 82 VAL MG1 1 86 ALA H 4.500 . 4.500 3.655 3.515 3.864 . 0 0 "[ . 1 . 2 .]" 1
704 1 83 PHE QD 1 86 ALA MB 3.500 . 3.500 2.959 2.682 3.196 . 0 0 "[ . 1 . 2 .]" 1
705 1 84 ALA MB 1 87 LYS QB 4.000 . 4.000 3.866 3.587 4.021 0.021 15 0 "[ . 1 . 2 .]" 1
706 1 84 ALA HA 1 87 LYS HG3 3.500 . 3.500 3.043 1.783 3.525 0.025 14 0 "[ . 1 . 2 .]" 1
707 1 84 ALA HA 1 87 LYS HG2 3.500 . 3.500 3.069 1.960 3.517 0.017 7 0 "[ . 1 . 2 .]" 1
708 1 85 TYR H 1 88 GLN QE 4.500 . 4.500 3.801 3.586 4.438 . 0 0 "[ . 1 . 2 .]" 1
709 1 86 ALA H 1 88 GLN QE 4.800 . 4.800 4.682 4.426 4.808 0.008 2 0 "[ . 1 . 2 .]" 1
710 1 85 TYR QE 1 89 HIS HE1 4.000 . 4.000 3.919 3.677 4.009 0.009 17 0 "[ . 1 . 2 .]" 1
711 1 86 ALA H 1 89 HIS HD2 5.000 . 5.000 4.847 4.383 5.005 0.005 15 0 "[ . 1 . 2 .]" 1
712 1 87 LYS HA 1 90 PRO HA 4.800 . 4.800 4.784 4.652 4.812 0.012 13 0 "[ . 1 . 2 .]" 1
713 1 87 LYS HA 1 90 PRO HD3 5.500 . 5.500 4.444 4.261 4.632 . 0 0 "[ . 1 . 2 .]" 1
714 1 88 GLN H 1 90 PRO QD 4.500 . 4.500 4.314 4.132 4.471 . 0 0 "[ . 1 . 2 .]" 1
715 1 90 PRO HD2 1 92 GLN H 5.500 . 5.500 5.060 4.624 5.296 . 0 0 "[ . 1 . 2 .]" 1
716 1 94 LEU QD 1 96 ILE MD 2.500 . 2.500 2.229 1.739 2.511 0.011 23 0 "[ . 1 . 2 .]" 1
717 1 96 ILE MG 1 98 GLY H 3.500 . 3.500 2.692 2.423 2.988 . 0 0 "[ . 1 . 2 .]" 1
718 1 98 GLY QA 1 102 ILE MG 3.600 . 3.600 3.607 3.603 3.616 0.016 12 0 "[ . 1 . 2 .]" 1
719 1 98 GLY H 1 102 ILE MD 6.000 . 6.000 5.806 5.633 5.986 . 0 0 "[ . 1 . 2 .]" 1
720 1 98 GLY H 1 102 ILE MG 4.500 . 4.500 3.625 3.501 3.753 . 0 0 "[ . 1 . 2 .]" 1
721 1 99 GLY H 1 102 ILE HG13 3.500 . 3.500 2.275 1.983 2.720 . 0 0 "[ . 1 . 2 .]" 1
722 1 99 GLY H 1 102 ILE HG12 3.500 . 3.500 2.429 2.075 2.757 . 0 0 "[ . 1 . 2 .]" 1
723 1 99 GLY H 1 102 ILE MD 4.500 . 4.500 3.725 3.426 4.064 . 0 0 "[ . 1 . 2 .]" 1
724 1 99 GLY QA 1 102 ILE H 4.500 . 4.500 3.618 3.561 3.669 . 0 0 "[ . 1 . 2 .]" 1
725 1 100 ALA HA 1 103 PHE QD 3.500 . 3.500 1.905 1.858 1.990 . 0 0 "[ . 1 . 2 .]" 1
726 1 102 ILE MD 1 105 ALA MB 3.500 . 3.500 3.284 3.076 3.497 . 0 0 "[ . 1 . 2 .]" 1
727 1 102 ILE MG 1 106 PHE H 4.000 . 4.000 3.935 3.660 4.012 0.012 23 0 "[ . 1 . 2 .]" 1
728 1 102 ILE MG 1 106 PHE QE 4.500 . 4.500 2.043 1.862 2.270 . 0 0 "[ . 1 . 2 .]" 1
729 1 102 ILE MD 1 106 PHE QE 3.100 . 3.100 3.048 2.602 3.118 0.018 20 0 "[ . 1 . 2 .]" 1
730 1 104 THR MG 1 107 LYS QE 3.600 . 3.600 3.561 3.121 3.616 0.016 5 0 "[ . 1 . 2 .]" 1
731 1 104 THR MG 1 107 LYS QB 4.600 . 4.600 4.551 4.409 4.605 0.005 8 0 "[ . 1 . 2 .]" 1
732 1 104 THR MG 1 107 LYS QD 3.600 . 3.600 3.585 3.124 3.639 0.039 5 0 "[ . 1 . 2 .]" 1
733 1 104 THR HB 1 107 LYS QD 3.500 . 3.500 3.132 2.217 3.516 0.016 3 0 "[ . 1 . 2 .]" 1
734 1 106 PHE QD 1 109 ASP HB2 4.500 . 4.500 3.784 3.255 4.170 . 0 0 "[ . 1 . 2 .]" 1
735 1 107 LYS H 1 110 VAL MG2 4.500 . 4.500 3.451 3.222 3.729 . 0 0 "[ . 1 . 2 .]" 1
736 1 108 ASP H 1 110 VAL MG2 4.500 . 4.500 4.203 3.961 4.508 0.008 10 0 "[ . 1 . 2 .]" 1
737 1 110 VAL MG1 1 112 THR H 2.500 . 2.500 1.831 1.717 1.894 . 0 0 "[ . 1 . 2 .]" 1
738 1 110 VAL MG1 1 113 LEU HG 3.500 . 3.500 2.706 2.437 3.203 . 0 0 "[ . 1 . 2 .]" 1
739 1 110 VAL MG1 1 113 LEU HA 3.500 . 3.500 3.205 3.085 3.381 . 0 0 "[ . 1 . 2 .]" 1
740 1 110 VAL MG1 1 113 LEU H 4.500 . 4.500 4.031 3.905 4.143 . 0 0 "[ . 1 . 2 .]" 1
741 1 110 VAL MG1 1 113 LEU MD1 4.500 . 4.500 3.593 3.394 3.972 . 0 0 "[ . 1 . 2 .]" 1
742 1 112 THR MG 1 114 LEU HA 4.800 . 4.800 4.688 4.605 4.768 . 0 0 "[ . 1 . 2 .]" 1
743 1 112 THR MG 1 114 LEU HG 3.500 . 3.500 3.016 2.834 3.252 . 0 0 "[ . 1 . 2 .]" 1
744 1 112 THR MG 1 114 LEU MD2 2.500 . 2.500 2.328 2.088 2.498 . 0 0 "[ . 1 . 2 .]" 1
745 1 113 LEU MD1 1 115 VAL MG2 5.500 . 5.500 5.292 5.118 5.495 . 0 0 "[ . 1 . 2 .]" 1
746 1 113 LEU MD1 1 115 VAL MG1 4.500 . 4.500 3.930 3.820 4.087 . 0 0 "[ . 1 . 2 .]" 1
747 1 120 GLY H 1 122 PHE QE 5.500 . 5.500 4.274 3.566 5.324 . 0 0 "[ . 1 . 2 .]" 1
748 1 128 MET ME 1 131 LEU MD2 3.600 . 3.600 3.563 3.252 3.623 0.023 12 0 "[ . 1 . 2 .]" 1
749 1 128 MET ME 1 131 LEU HG 4.500 . 4.500 2.697 2.187 2.987 . 0 0 "[ . 1 . 2 .]" 1
750 1 128 MET ME 1 131 LEU MD1 3.500 . 3.500 1.937 1.781 2.397 . 0 0 "[ . 1 . 2 .]" 1
751 1 129 ILE MD 1 131 LEU MD2 3.500 . 3.500 3.280 3.081 3.478 . 0 0 "[ . 1 . 2 .]" 1
752 1 129 ILE MD 1 131 LEU MD1 5.500 . 5.500 3.459 2.930 4.105 . 0 0 "[ . 1 . 2 .]" 1
753 1 129 ILE MD 1 131 LEU H 5.500 . 5.500 4.022 3.612 4.586 . 0 0 "[ . 1 . 2 .]" 1
754 1 131 LEU MD1 1 133 TRP HE1 4.500 . 4.500 3.950 3.246 4.224 . 0 0 "[ . 1 . 2 .]" 1
755 1 131 LEU MD2 1 133 TRP HH2 4.800 . 4.800 4.661 4.258 4.807 0.007 2 0 "[ . 1 . 2 .]" 1
756 1 131 LEU HB3 1 133 TRP HE1 3.800 . 3.800 3.744 3.302 3.812 0.012 2 0 "[ . 1 . 2 .]" 1
757 1 131 LEU HB2 1 133 TRP HE1 4.500 . 4.500 3.251 2.705 3.575 . 0 0 "[ . 1 . 2 .]" 1
758 1 131 LEU H 1 133 TRP HE1 4.500 . 4.500 4.062 3.693 4.426 . 0 0 "[ . 1 . 2 .]" 1
759 1 131 LEU MD1 1 133 TRP HH2 3.500 . 3.500 3.049 2.654 3.474 . 0 0 "[ . 1 . 2 .]" 1
760 1 131 LEU MD1 1 133 TRP HZ2 3.500 . 3.500 2.703 2.143 3.057 . 0 0 "[ . 1 . 2 .]" 1
761 1 131 LEU MD2 1 133 TRP H 5.500 . 5.500 4.536 4.189 4.698 . 0 0 "[ . 1 . 2 .]" 1
762 1 132 ASN HD22 1 134 ASP H 3.800 . 3.800 3.733 3.421 3.807 0.007 8 0 "[ . 1 . 2 .]" 1
763 1 132 ASN HD21 1 134 ASP H 4.500 . 4.500 2.442 1.987 2.674 . 0 0 "[ . 1 . 2 .]" 1
764 1 132 ASN HD22 1 134 ASP HB3 4.500 . 4.500 3.535 2.534 4.243 . 0 0 "[ . 1 . 2 .]" 1
765 1 132 ASN HD22 1 134 ASP HB2 3.500 . 3.500 2.783 2.217 3.508 0.008 2 0 "[ . 1 . 2 .]" 1
766 1 132 ASN HD22 1 135 ASP H 3.600 . 3.600 3.541 3.277 3.605 0.005 22 0 "[ . 1 . 2 .]" 1
767 1 132 ASN HD21 1 135 ASP H 4.500 . 4.500 2.009 1.929 2.505 . 0 0 "[ . 1 . 2 .]" 1
768 1 132 ASN H 1 136 PHE QE 4.500 . 4.500 3.581 3.157 4.224 . 0 0 "[ . 1 . 2 .]" 1
769 1 133 TRP HA 1 136 PHE QD 4.500 . 4.500 3.220 2.857 3.572 . 0 0 "[ . 1 . 2 .]" 1
770 1 133 TRP HA 1 136 PHE QE 5.800 . 5.800 5.263 4.819 5.671 . 0 0 "[ . 1 . 2 .]" 1
771 1 133 TRP HE3 1 136 PHE H 5.500 . 5.500 5.038 4.908 5.258 . 0 0 "[ . 1 . 2 .]" 1
772 1 137 THR MG 1 139 VAL QG 2.500 . 2.500 2.413 2.202 2.501 0.001 11 0 "[ . 1 . 2 .]" 1
773 1 137 THR MG 1 139 VAL HA 4.500 . 4.500 3.622 3.458 3.795 . 0 0 "[ . 1 . 2 .]" 1
774 1 138 LYS HG2 1 140 SER H 3.800 . 3.800 3.684 3.433 3.804 0.004 13 0 "[ . 1 . 2 .]" 1
775 1 138 LYS HD2 1 141 SER HA 4.100 . 4.100 4.084 3.895 4.119 0.019 2 0 "[ . 1 . 2 .]" 1
776 1 138 LYS HD2 1 141 SER HB2 4.500 . 4.500 2.816 2.034 3.048 . 0 0 "[ . 1 . 2 .]" 1
777 1 138 LYS HD3 1 141 SER HB2 4.500 . 4.500 4.403 3.700 4.510 0.010 3 0 "[ . 1 . 2 .]" 1
778 1 139 VAL QG 1 141 SER H 5.500 . 5.500 5.385 5.317 5.499 . 0 0 "[ . 1 . 2 .]" 1
779 1 143 THR MG 1 145 GLU QB 4.600 . 4.600 4.526 4.293 4.608 0.008 13 0 "[ . 1 . 2 .]" 1
780 1 143 THR MG 1 145 GLU QG 3.500 . 3.500 2.811 2.582 3.016 . 0 0 "[ . 1 . 2 .]" 1
781 1 144 VAL QG 1 146 ASP H 4.100 . 4.100 4.039 3.695 4.110 0.010 20 0 "[ . 1 . 2 .]" 1
782 1 148 ASN HD22 1 150 ALA MB 4.500 . 4.500 3.389 2.473 4.164 . 0 0 "[ . 1 . 2 .]" 1
783 1 148 ASN HD21 1 150 ALA MB 4.500 . 4.500 2.710 2.238 4.491 . 0 0 "[ . 1 . 2 .]" 1
784 1 148 ASN HD22 1 150 ALA H 4.500 . 4.500 3.927 3.004 4.501 0.001 5 0 "[ . 1 . 2 .]" 1
785 1 148 ASN HB2 1 151 LEU HB2 4.500 . 4.500 2.729 2.286 3.399 . 0 0 "[ . 1 . 2 .]" 1
786 1 148 ASN HB2 1 151 LEU MD1 3.500 . 3.500 2.309 2.066 2.599 . 0 0 "[ . 1 . 2 .]" 1
787 1 148 ASN H 1 151 LEU HG 4.500 . 4.500 4.411 4.027 4.511 0.011 19 0 "[ . 1 . 2 .]" 1
788 1 148 ASN HB3 1 151 LEU MD1 3.500 . 3.500 2.879 2.513 3.065 . 0 0 "[ . 1 . 2 .]" 1
789 1 148 ASN HB3 1 151 LEU MD2 4.500 . 4.500 3.476 3.424 3.539 . 0 0 "[ . 1 . 2 .]" 1
790 1 148 ASN HD22 1 151 LEU HG 4.500 . 4.500 3.387 3.172 3.840 . 0 0 "[ . 1 . 2 .]" 1
791 1 148 ASN HD21 1 151 LEU HG 4.500 . 4.500 2.038 1.869 2.634 . 0 0 "[ . 1 . 2 .]" 1
792 1 148 ASN HD21 1 151 LEU MD1 3.500 . 3.500 3.432 2.679 3.516 0.016 18 0 "[ . 1 . 2 .]" 1
793 1 148 ASN HD22 1 151 LEU MD2 5.500 . 5.500 4.121 3.850 4.437 . 0 0 "[ . 1 . 2 .]" 1
794 1 148 ASN HD22 1 151 LEU MD1 4.500 . 4.500 4.137 3.823 4.452 . 0 0 "[ . 1 . 2 .]" 1
795 1 148 ASN H 1 151 LEU QD 4.500 . 4.500 3.550 3.120 3.876 . 0 0 "[ . 1 . 2 .]" 1
796 1 154 THR MG 1 156 GLU HA 4.100 . 4.100 4.051 3.893 4.107 0.007 24 0 "[ . 1 . 2 .]" 1
797 1 154 THR MG 1 156 GLU H 4.500 . 4.500 4.067 3.847 4.325 . 0 0 "[ . 1 . 2 .]" 1
798 1 156 GLU HB2 1 158 TRP HE1 3.500 . 3.500 2.433 2.242 2.637 . 0 0 "[ . 1 . 2 .]" 1
799 1 156 GLU HB3 1 158 TRP HE1 3.500 . 3.500 2.099 1.914 2.394 . 0 0 "[ . 1 . 2 .]" 1
800 1 156 GLU HB2 1 158 TRP HD1 3.600 . 3.600 3.568 3.364 3.611 0.011 7 0 "[ . 1 . 2 .]" 1
801 1 156 GLU HB3 1 158 TRP HD1 3.600 . 3.600 3.552 3.252 3.614 0.014 1 0 "[ . 1 . 2 .]" 1
802 1 156 GLU H 1 158 TRP HD1 5.600 . 5.600 5.551 5.462 5.623 0.023 22 0 "[ . 1 . 2 .]" 1
803 1 157 VAL QG 1 159 GLN HA 5.000 . 5.000 4.825 4.653 4.993 . 0 0 "[ . 1 . 2 .]" 1
804 1 7 GLN H 1 8 ASP H 4.800 . 4.800 4.456 4.341 4.498 . 0 0 "[ . 1 . 2 .]" 1
805 1 8 ASP H 1 9 ARG H 4.500 . 4.500 4.406 4.304 4.516 0.016 2 0 "[ . 1 . 2 .]" 1
806 1 9 ARG H 1 10 ASP H 4.500 . 4.500 2.815 2.722 2.956 . 0 0 "[ . 1 . 2 .]" 1
807 1 10 ASP H 1 11 GLY H 3.500 . 3.500 2.402 2.216 2.570 . 0 0 "[ . 1 . 2 .]" 1
808 1 11 GLY H 1 12 LEU H 3.500 . 3.500 2.208 2.019 2.476 . 0 0 "[ . 1 . 2 .]" 1
809 1 13 ILE H 1 14 GLY H 5.500 . 5.500 2.363 1.932 4.487 . 0 0 "[ . 1 . 2 .]" 1
810 1 32 ALA H 1 33 GLN H 4.500 . 4.500 2.662 2.214 2.957 . 0 0 "[ . 1 . 2 .]" 1
811 1 33 GLN H 1 34 THR H 4.500 . 4.500 2.569 2.399 3.065 . 0 0 "[ . 1 . 2 .]" 1
812 1 34 THR H 1 35 VAL H 4.500 . 4.500 2.062 1.780 2.969 . 0 0 "[ . 1 . 2 .]" 1
813 1 36 GLY H 1 37 LYS H 4.500 . 4.500 2.844 2.344 3.214 . 0 0 "[ . 1 . 2 .]" 1
814 1 37 LYS H 1 38 ILE H 4.500 . 4.500 4.253 4.178 4.310 . 0 0 "[ . 1 . 2 .]" 1
815 1 43 ARG H 1 44 ARG H 4.500 . 4.500 2.896 2.807 3.037 . 0 0 "[ . 1 . 2 .]" 1
816 1 44 ARG H 1 45 THR H 3.500 . 3.500 2.643 2.550 2.766 . 0 0 "[ . 1 . 2 .]" 1
817 1 45 THR H 1 46 TYR H 3.500 . 3.500 2.597 2.467 2.714 . 0 0 "[ . 1 . 2 .]" 1
818 1 46 TYR H 1 47 GLU H 4.500 . 4.500 2.671 2.470 2.828 . 0 0 "[ . 1 . 2 .]" 1
819 1 47 GLU H 1 48 SER H 4.500 . 4.500 2.914 2.812 3.053 . 0 0 "[ . 1 . 2 .]" 1
820 1 51 LYS H 1 52 ARG H 4.500 . 4.500 4.279 3.879 4.465 . 0 0 "[ . 1 . 2 .]" 1
821 1 56 GLU H 1 57 ARG H 3.500 . 3.500 2.747 2.528 3.123 . 0 0 "[ . 1 . 2 .]" 1
822 1 58 THR H 1 59 ASN H 4.500 . 4.500 4.401 4.283 4.509 0.009 3 0 "[ . 1 . 2 .]" 1
823 1 62 LEU H 1 63 THR H 4.500 . 4.500 4.341 4.205 4.438 . 0 0 "[ . 1 . 2 .]" 1
824 1 65 GLN H 1 66 GLU H 4.800 . 4.800 4.545 4.484 4.584 . 0 0 "[ . 1 . 2 .]" 1
825 1 66 GLU H 1 67 ASP H 3.500 . 3.500 2.499 2.369 2.695 . 0 0 "[ . 1 . 2 .]" 1
826 1 67 ASP H 1 68 TYR H 2.500 . 2.500 2.278 1.934 2.515 0.015 23 0 "[ . 1 . 2 .]" 1
827 1 68 TYR H 1 69 GLN H 5.000 . 5.000 4.573 4.538 4.609 . 0 0 "[ . 1 . 2 .]" 1
828 1 69 GLN H 1 70 ALA H 4.500 . 4.500 4.397 4.375 4.420 . 0 0 "[ . 1 . 2 .]" 1
829 1 70 ALA H 1 71 GLN H 4.500 . 4.500 4.270 4.188 4.310 . 0 0 "[ . 1 . 2 .]" 1
830 1 71 GLN H 1 72 GLY H 4.500 . 4.500 4.237 4.126 4.329 . 0 0 "[ . 1 . 2 .]" 1
831 1 72 GLY H 1 73 ALA H 3.500 . 3.500 3.106 2.315 3.344 . 0 0 "[ . 1 . 2 .]" 1
832 1 73 ALA H 1 74 VAL H 5.000 . 5.000 4.587 4.433 4.616 . 0 0 "[ . 1 . 2 .]" 1
833 1 74 VAL H 1 75 VAL H 5.500 . 5.500 4.546 4.533 4.576 . 0 0 "[ . 1 . 2 .]" 1
834 1 75 VAL H 1 76 VAL H 4.300 . 4.300 4.282 4.162 4.334 0.034 17 0 "[ . 1 . 2 .]" 1
835 1 77 HIS H 1 78 ASP H 2.500 . 2.500 1.915 1.829 1.997 . 0 0 "[ . 1 . 2 .]" 1
836 1 78 ASP H 1 79 VAL H 4.500 . 4.500 4.351 4.306 4.376 . 0 0 "[ . 1 . 2 .]" 1
837 1 81 ALA H 1 82 VAL H 3.500 . 3.500 2.498 2.426 2.570 . 0 0 "[ . 1 . 2 .]" 1
838 1 82 VAL H 1 83 PHE H 3.500 . 3.500 2.580 2.453 2.672 . 0 0 "[ . 1 . 2 .]" 1
839 1 83 PHE H 1 84 ALA H 3.000 . 3.000 2.669 2.623 2.724 . 0 0 "[ . 1 . 2 .]" 1
840 1 84 ALA H 1 85 TYR H 3.500 . 3.500 2.611 2.525 2.689 . 0 0 "[ . 1 . 2 .]" 1
841 1 85 TYR H 1 86 ALA H 3.500 . 3.500 2.704 2.668 2.739 . 0 0 "[ . 1 . 2 .]" 1
842 1 86 ALA H 1 87 LYS H 3.500 . 3.500 2.732 2.625 2.807 . 0 0 "[ . 1 . 2 .]" 1
843 1 87 LYS H 1 88 GLN H 3.500 . 3.500 2.484 2.410 2.568 . 0 0 "[ . 1 . 2 .]" 1
844 1 88 GLN H 1 89 HIS H 3.500 . 3.500 2.416 2.216 2.533 . 0 0 "[ . 1 . 2 .]" 1
845 1 91 ASP H 1 92 GLN H 3.500 . 3.500 2.269 2.030 2.455 . 0 0 "[ . 1 . 2 .]" 1
846 1 92 GLN H 1 93 GLU H 5.000 . 5.000 4.537 4.497 4.571 . 0 0 "[ . 1 . 2 .]" 1
847 1 97 ALA H 1 98 GLY H 3.500 . 3.500 2.175 2.020 2.348 . 0 0 "[ . 1 . 2 .]" 1
848 1 99 GLY H 1 100 ALA H 4.500 . 4.500 4.365 4.342 4.388 . 0 0 "[ . 1 . 2 .]" 1
849 1 101 GLN H 1 102 ILE H 4.500 . 4.500 2.693 2.602 2.760 . 0 0 "[ . 1 . 2 .]" 1
850 1 102 ILE H 1 103 PHE H 3.500 . 3.500 2.388 2.326 2.484 . 0 0 "[ . 1 . 2 .]" 1
851 1 103 PHE H 1 104 THR H 3.500 . 3.500 2.958 2.844 3.046 . 0 0 "[ . 1 . 2 .]" 1
852 1 104 THR H 1 105 ALA H 3.500 . 3.500 2.703 2.651 2.752 . 0 0 "[ . 1 . 2 .]" 1
853 1 105 ALA H 1 106 PHE H 3.500 . 3.500 2.475 2.342 2.557 . 0 0 "[ . 1 . 2 .]" 1
854 1 107 LYS H 1 108 ASP H 3.500 . 3.500 2.802 2.739 2.940 . 0 0 "[ . 1 . 2 .]" 1
855 1 108 ASP H 1 109 ASP H 2.600 . 2.600 2.509 2.304 2.582 . 0 0 "[ . 1 . 2 .]" 1
856 1 109 ASP H 1 110 VAL H 3.500 . 3.500 1.901 1.812 2.293 . 0 0 "[ . 1 . 2 .]" 1
857 1 110 VAL H 1 111 ASP H 5.500 . 5.500 4.533 4.479 4.595 . 0 0 "[ . 1 . 2 .]" 1
858 1 111 ASP H 1 112 THR H 3.500 . 3.500 2.236 1.982 2.420 . 0 0 "[ . 1 . 2 .]" 1
859 1 113 LEU H 1 114 LEU H 4.600 . 4.600 4.456 4.439 4.477 . 0 0 "[ . 1 . 2 .]" 1
860 1 116 THR H 1 117 ARG H 5.500 . 5.500 4.182 4.028 4.328 . 0 0 "[ . 1 . 2 .]" 1
861 1 120 GLY H 1 121 SER H 4.600 . 4.600 4.565 4.170 4.620 0.020 17 0 "[ . 1 . 2 .]" 1
862 1 122 PHE H 1 123 GLU H 4.500 . 4.500 4.407 4.324 4.480 . 0 0 "[ . 1 . 2 .]" 1
863 1 124 GLY H 1 125 ASP H 4.500 . 4.500 4.282 3.853 4.446 . 0 0 "[ . 1 . 2 .]" 1
864 1 125 ASP H 1 126 THR H 3.500 . 3.500 2.114 1.783 3.052 . 0 0 "[ . 1 . 2 .]" 1
865 1 131 LEU H 1 132 ASN H 4.800 . 4.800 4.567 4.439 4.597 . 0 0 "[ . 1 . 2 .]" 1
866 1 132 ASN H 1 133 TRP H 4.500 . 4.500 3.766 3.596 3.891 . 0 0 "[ . 1 . 2 .]" 1
867 1 133 TRP H 1 134 ASP H 3.500 . 3.500 2.705 2.621 2.748 . 0 0 "[ . 1 . 2 .]" 1
868 1 134 ASP H 1 135 ASP H 3.500 . 3.500 2.477 2.432 2.510 . 0 0 "[ . 1 . 2 .]" 1
869 1 135 ASP H 1 136 PHE H 3.500 . 3.500 2.417 2.344 2.475 . 0 0 "[ . 1 . 2 .]" 1
870 1 136 PHE H 1 137 THR H 5.000 . 5.000 4.516 4.485 4.538 . 0 0 "[ . 1 . 2 .]" 1
871 1 137 THR H 1 138 LYS H 4.500 . 4.500 4.378 4.343 4.409 . 0 0 "[ . 1 . 2 .]" 1
872 1 138 LYS H 1 139 VAL H 5.500 . 5.500 4.414 4.297 4.514 . 0 0 "[ . 1 . 2 .]" 1
873 1 139 VAL H 1 140 SER H 3.500 . 3.500 2.157 1.980 2.337 . 0 0 "[ . 1 . 2 .]" 1
874 1 140 SER H 1 141 SER H 4.500 . 4.500 4.225 4.172 4.262 . 0 0 "[ . 1 . 2 .]" 1
875 1 141 SER H 1 142 ARG H 4.500 . 4.500 3.811 3.686 3.912 . 0 0 "[ . 1 . 2 .]" 1
876 1 144 VAL H 1 145 GLU H 4.500 . 4.500 4.086 4.028 4.271 . 0 0 "[ . 1 . 2 .]" 1
877 1 145 GLU H 1 146 ASP H 5.500 . 5.500 4.238 4.152 4.309 . 0 0 "[ . 1 . 2 .]" 1
878 1 146 ASP H 1 147 THR H 4.600 . 4.600 4.493 4.374 4.565 . 0 0 "[ . 1 . 2 .]" 1
879 1 147 THR H 1 148 ASN H 3.500 . 3.500 2.825 2.584 2.950 . 0 0 "[ . 1 . 2 .]" 1
880 1 150 ALA H 1 151 LEU H 3.500 . 3.500 2.348 2.124 2.508 . 0 0 "[ . 1 . 2 .]" 1
881 1 151 LEU H 1 152 THR H 3.500 . 3.500 2.658 2.471 2.779 . 0 0 "[ . 1 . 2 .]" 1
882 1 152 THR H 1 153 HIS H 4.500 . 4.500 4.505 3.934 4.564 0.064 13 0 "[ . 1 . 2 .]" 1
883 1 155 TYR H 1 156 GLU H 4.500 . 4.500 4.210 4.092 4.303 . 0 0 "[ . 1 . 2 .]" 1
884 1 157 VAL H 1 158 TRP H 4.500 . 4.500 4.160 3.899 4.241 . 0 0 "[ . 1 . 2 .]" 1
885 1 158 TRP H 1 159 GLN H 5.000 . 5.000 4.523 4.506 4.541 . 0 0 "[ . 1 . 2 .]" 1
886 1 159 GLN H 1 160 LYS H 4.500 . 4.500 4.210 4.133 4.302 . 0 0 "[ . 1 . 2 .]" 1
887 1 160 LYS H 1 161 LYS H 5.000 . 5.000 4.554 4.492 4.582 . 0 0 "[ . 1 . 2 .]" 1
888 1 161 LYS H 1 162 ALA H 4.500 . 4.500 4.403 4.257 4.526 0.026 2 0 "[ . 1 . 2 .]" 1
889 1 2 ALA HA 1 3 PHE H 2.500 . 2.500 2.231 2.180 2.280 . 0 0 "[ . 1 . 2 .]" 1
890 1 3 PHE HA 1 4 LEU H 3.500 . 3.500 2.188 2.169 2.208 . 0 0 "[ . 1 . 2 .]" 1
891 1 4 LEU HA 1 5 TRP H 3.500 . 3.500 2.114 2.085 2.143 . 0 0 "[ . 1 . 2 .]" 1
892 1 5 TRP HA 1 6 ALA H 4.500 . 4.500 2.472 2.402 2.574 . 0 0 "[ . 1 . 2 .]" 1
893 1 6 ALA HA 1 7 GLN H 3.500 . 3.500 2.190 2.153 2.265 . 0 0 "[ . 1 . 2 .]" 1
894 1 7 GLN HA 1 8 ASP H 3.500 . 3.500 2.304 2.208 2.403 . 0 0 "[ . 1 . 2 .]" 1
895 1 8 ASP HA 1 9 ARG H 3.500 . 3.500 2.697 2.472 2.843 . 0 0 "[ . 1 . 2 .]" 1
896 1 10 ASP HA 1 11 GLY H 4.500 . 4.500 3.478 3.431 3.507 . 0 0 "[ . 1 . 2 .]" 1
897 1 11 GLY HA2 1 12 LEU H 4.500 . 4.500 2.946 2.621 3.333 . 0 0 "[ . 1 . 2 .]" 1
898 1 32 ALA HA 1 33 GLN H 4.500 . 4.500 3.471 3.373 3.534 . 0 0 "[ . 1 . 2 .]" 1
899 1 33 GLN HA 1 34 THR H 4.500 . 4.500 3.384 3.308 3.601 . 0 0 "[ . 1 . 2 .]" 1
900 1 35 VAL HA 1 36 GLY H 3.500 . 3.500 2.275 2.108 2.421 . 0 0 "[ . 1 . 2 .]" 1
901 1 36 GLY QA 1 37 LYS H 3.500 . 3.500 2.986 2.770 3.049 . 0 0 "[ . 1 . 2 .]" 1
902 1 38 ILE HA 1 39 MET H 2.500 . 2.500 2.251 2.125 2.278 . 0 0 "[ . 1 . 2 .]" 1
903 1 39 MET HA 1 40 VAL H 3.500 . 3.500 2.147 2.131 2.173 . 0 0 "[ . 1 . 2 .]" 1
904 1 40 VAL HA 1 41 VAL H 3.500 . 3.500 2.238 2.074 2.379 . 0 0 "[ . 1 . 2 .]" 1
905 1 41 VAL HA 1 42 GLY H 3.500 . 3.500 2.273 2.211 2.366 . 0 0 "[ . 1 . 2 .]" 1
906 1 42 GLY HA3 1 43 ARG H 3.500 . 3.500 2.891 2.804 2.995 . 0 0 "[ . 1 . 2 .]" 1
907 1 42 GLY HA2 1 43 ARG H 4.500 . 4.500 2.327 2.249 2.391 . 0 0 "[ . 1 . 2 .]" 1
908 1 43 ARG HA 1 44 ARG H 4.500 . 4.500 3.565 3.548 3.583 . 0 0 "[ . 1 . 2 .]" 1
909 1 44 ARG HA 1 45 THR H 3.800 . 3.800 3.500 3.469 3.531 . 0 0 "[ . 1 . 2 .]" 1
910 1 45 THR HA 1 46 TYR H 4.500 . 4.500 3.538 3.489 3.573 . 0 0 "[ . 1 . 2 .]" 1
911 1 47 GLU HA 1 48 SER H 4.000 . 4.000 3.570 3.564 3.575 . 0 0 "[ . 1 . 2 .]" 1
912 1 48 SER HA 1 49 PHE H 4.500 . 4.500 3.492 3.434 3.543 . 0 0 "[ . 1 . 2 .]" 1
913 1 50 PRO HA 1 51 LYS H 4.500 . 4.500 3.544 3.514 3.579 . 0 0 "[ . 1 . 2 .]" 1
914 1 53 PRO HA 1 54 LEU H 3.500 . 3.500 2.569 2.322 2.753 . 0 0 "[ . 1 . 2 .]" 1
915 1 55 PRO HA 1 56 GLU H 3.500 . 3.500 2.627 2.144 3.538 0.038 20 0 "[ . 1 . 2 .]" 1
916 1 56 GLU HA 1 57 ARG H 3.500 . 3.500 3.078 2.697 3.295 . 0 0 "[ . 1 . 2 .]" 1
917 1 57 ARG HA 1 58 THR H 3.500 . 3.500 2.151 2.120 2.206 . 0 0 "[ . 1 . 2 .]" 1
918 1 58 THR HA 1 59 ASN H 3.500 . 3.500 2.147 2.117 2.183 . 0 0 "[ . 1 . 2 .]" 1
919 1 59 ASN HA 1 60 VAL H 2.500 . 2.500 2.273 2.164 2.340 . 0 0 "[ . 1 . 2 .]" 1
920 1 60 VAL HA 1 61 VAL H 3.500 . 3.500 2.218 2.141 2.273 . 0 0 "[ . 1 . 2 .]" 1
921 1 61 VAL HA 1 62 LEU H 3.500 . 3.500 2.146 2.109 2.167 . 0 0 "[ . 1 . 2 .]" 1
922 1 64 HIS HA 1 65 GLN H 4.500 . 4.500 3.358 3.303 3.402 . 0 0 "[ . 1 . 2 .]" 1
923 1 65 GLN HA 1 66 GLU H 2.500 . 2.500 2.169 2.148 2.197 . 0 0 "[ . 1 . 2 .]" 1
924 1 66 GLU HA 1 67 ASP H 3.500 . 3.500 3.391 3.210 3.501 0.001 23 0 "[ . 1 . 2 .]" 1
925 1 67 ASP HA 1 68 TYR H 3.500 . 3.500 3.194 3.090 3.282 . 0 0 "[ . 1 . 2 .]" 1
926 1 68 TYR HA 1 69 GLN H 2.500 . 2.500 2.158 2.099 2.229 . 0 0 "[ . 1 . 2 .]" 1
927 1 70 ALA HA 1 71 GLN H 2.500 . 2.500 2.244 2.232 2.258 . 0 0 "[ . 1 . 2 .]" 1
928 1 72 GLY HA3 1 73 ALA H 3.500 . 3.500 2.873 2.616 3.409 . 0 0 "[ . 1 . 2 .]" 1
929 1 72 GLY HA2 1 73 ALA H 3.800 . 3.800 3.508 3.163 3.564 . 0 0 "[ . 1 . 2 .]" 1
930 1 74 VAL HA 1 75 VAL H 2.500 . 2.500 2.240 2.226 2.267 . 0 0 "[ . 1 . 2 .]" 1
931 1 75 VAL HA 1 76 VAL H 3.500 . 3.500 2.100 2.071 2.134 . 0 0 "[ . 1 . 2 .]" 1
932 1 76 VAL HA 1 77 HIS H 3.500 . 3.500 2.510 2.444 2.613 . 0 0 "[ . 1 . 2 .]" 1
933 1 77 HIS HA 1 78 ASP H 3.600 . 3.600 3.456 3.433 3.479 . 0 0 "[ . 1 . 2 .]" 1
934 1 78 ASP HA 1 79 VAL H 3.500 . 3.500 2.637 2.563 2.721 . 0 0 "[ . 1 . 2 .]" 1
935 1 79 VAL HA 1 80 ALA H 3.500 . 3.500 3.361 3.342 3.378 . 0 0 "[ . 1 . 2 .]" 1
936 1 81 ALA HA 1 82 VAL H 3.800 . 3.800 3.516 3.494 3.542 . 0 0 "[ . 1 . 2 .]" 1
937 1 82 VAL HA 1 83 PHE H 4.000 . 4.000 3.565 3.555 3.574 . 0 0 "[ . 1 . 2 .]" 1
938 1 83 PHE HA 1 84 ALA H 3.800 . 3.800 3.467 3.455 3.488 . 0 0 "[ . 1 . 2 .]" 1
939 1 84 ALA HA 1 85 TYR H 4.000 . 4.000 3.552 3.531 3.569 . 0 0 "[ . 1 . 2 .]" 1
940 1 85 TYR HA 1 86 ALA H 4.000 . 4.000 3.562 3.552 3.569 . 0 0 "[ . 1 . 2 .]" 1
941 1 88 GLN HA 1 89 HIS H 3.500 . 3.500 3.321 3.271 3.380 . 0 0 "[ . 1 . 2 .]" 1
942 1 89 HIS H 1 90 PRO HA 4.500 . 4.500 4.469 4.420 4.511 0.011 17 0 "[ . 1 . 2 .]" 1
943 1 90 PRO HA 1 91 ASP H 3.500 . 3.500 3.322 3.304 3.354 . 0 0 "[ . 1 . 2 .]" 1
944 1 91 ASP HA 1 92 GLN H 3.800 . 3.800 3.497 3.436 3.538 . 0 0 "[ . 1 . 2 .]" 1
945 1 94 LEU HA 1 95 VAL H 3.500 . 3.500 2.146 2.127 2.178 . 0 0 "[ . 1 . 2 .]" 1
946 1 95 VAL HA 1 96 ILE H 3.500 . 3.500 2.173 2.146 2.204 . 0 0 "[ . 1 . 2 .]" 1
947 1 96 ILE HA 1 97 ALA H 3.500 . 3.500 2.170 2.133 2.220 . 0 0 "[ . 1 . 2 .]" 1
948 1 97 ALA HA 1 98 GLY H 4.500 . 4.500 3.550 3.513 3.570 . 0 0 "[ . 1 . 2 .]" 1
949 1 98 GLY QA 1 99 GLY H 3.500 . 3.500 3.241 3.234 3.249 . 0 0 "[ . 1 . 2 .]" 1
950 1 100 ALA HA 1 101 GLN H 4.000 . 4.000 3.562 3.535 3.573 . 0 0 "[ . 1 . 2 .]" 1
951 1 101 GLN HA 1 102 ILE H 4.500 . 4.500 3.485 3.466 3.512 . 0 0 "[ . 1 . 2 .]" 1
952 1 102 ILE HA 1 103 PHE H 4.000 . 4.000 3.487 3.455 3.522 . 0 0 "[ . 1 . 2 .]" 1
953 1 103 PHE HA 1 104 THR H 4.500 . 4.500 3.620 3.599 3.645 . 0 0 "[ . 1 . 2 .]" 1
954 1 104 THR HA 1 105 ALA H 3.500 . 3.500 3.369 3.339 3.379 . 0 0 "[ . 1 . 2 .]" 1
955 1 106 PHE HA 1 107 LYS H 4.500 . 4.500 3.335 3.297 3.385 . 0 0 "[ . 1 . 2 .]" 1
956 1 107 LYS HA 1 108 ASP H 4.500 . 4.500 3.494 3.474 3.509 . 0 0 "[ . 1 . 2 .]" 1
957 1 109 ASP HA 1 110 VAL H 3.600 . 3.600 3.467 3.425 3.502 . 0 0 "[ . 1 . 2 .]" 1
958 1 110 VAL HA 1 111 ASP H 4.500 . 4.500 2.146 2.119 2.185 . 0 0 "[ . 1 . 2 .]" 1
959 1 111 ASP HA 1 112 THR H 4.500 . 4.500 3.247 3.175 3.378 . 0 0 "[ . 1 . 2 .]" 1
960 1 112 THR HA 1 113 LEU H 2.500 . 2.500 2.254 2.232 2.275 . 0 0 "[ . 1 . 2 .]" 1
961 1 113 LEU HA 1 114 LEU H 3.500 . 3.500 2.202 2.174 2.219 . 0 0 "[ . 1 . 2 .]" 1
962 1 113 LEU H 1 114 LEU HA 5.500 . 5.500 5.039 4.987 5.078 . 0 0 "[ . 1 . 2 .]" 1
963 1 114 LEU HA 1 115 VAL H 3.500 . 3.500 2.163 2.151 2.174 . 0 0 "[ . 1 . 2 .]" 1
964 1 115 VAL HA 1 116 THR H 3.500 . 3.500 2.214 2.181 2.237 . 0 0 "[ . 1 . 2 .]" 1
965 1 117 ARG HA 1 118 LEU H 3.500 . 3.500 2.180 2.159 2.195 . 0 0 "[ . 1 . 2 .]" 1
966 1 120 GLY HA2 1 121 SER H 3.500 . 3.500 2.488 2.208 3.072 . 0 0 "[ . 1 . 2 .]" 1
967 1 120 GLY HA3 1 121 SER H 3.500 . 3.500 2.649 2.193 2.989 . 0 0 "[ . 1 . 2 .]" 1
968 1 122 PHE HA 1 123 GLU H 3.500 . 3.500 2.369 2.193 2.580 . 0 0 "[ . 1 . 2 .]" 1
969 1 123 GLU HA 1 124 GLY H 3.500 . 3.500 2.336 2.163 2.487 . 0 0 "[ . 1 . 2 .]" 1
970 1 124 GLY HA2 1 125 ASP H 3.500 . 3.500 2.547 2.123 3.211 . 0 0 "[ . 1 . 2 .]" 1
971 1 124 GLY HA3 1 125 ASP H 3.500 . 3.500 2.622 2.142 3.192 . 0 0 "[ . 1 . 2 .]" 1
972 1 126 THR HA 1 127 LYS H 3.500 . 3.500 2.183 2.137 2.268 . 0 0 "[ . 1 . 2 .]" 1
973 1 128 MET HA 1 129 ILE H 3.500 . 3.500 2.442 2.209 2.772 . 0 0 "[ . 1 . 2 .]" 1
974 1 130 PRO HA 1 131 LEU H 2.500 . 2.500 2.221 2.161 2.277 . 0 0 "[ . 1 . 2 .]" 1
975 1 131 LEU HA 1 132 ASN H 3.500 . 3.500 2.251 2.198 2.283 . 0 0 "[ . 1 . 2 .]" 1
976 1 132 ASN HA 1 133 TRP H 3.500 . 3.500 2.385 2.289 2.511 . 0 0 "[ . 1 . 2 .]" 1
977 1 133 TRP HA 1 134 ASP H 3.600 . 3.600 3.439 3.402 3.470 . 0 0 "[ . 1 . 2 .]" 1
978 1 135 ASP HA 1 136 PHE H 3.600 . 3.600 3.445 3.363 3.488 . 0 0 "[ . 1 . 2 .]" 1
979 1 136 PHE HA 1 137 THR H 3.500 . 3.500 2.491 2.423 2.558 . 0 0 "[ . 1 . 2 .]" 1
980 1 137 THR HA 1 138 LYS H 2.500 . 2.500 2.216 2.199 2.224 . 0 0 "[ . 1 . 2 .]" 1
981 1 138 LYS HA 1 139 VAL H 2.500 . 2.500 2.153 2.137 2.170 . 0 0 "[ . 1 . 2 .]" 1
982 1 139 VAL HA 1 140 SER H 3.500 . 3.500 3.439 3.376 3.474 . 0 0 "[ . 1 . 2 .]" 1
983 1 140 SER HA 1 141 SER H 2.500 . 2.500 2.210 2.198 2.222 . 0 0 "[ . 1 . 2 .]" 1
984 1 140 SER H 1 141 SER HA 5.500 . 5.500 4.961 4.871 5.034 . 0 0 "[ . 1 . 2 .]" 1
985 1 141 SER HA 1 142 ARG H 3.500 . 3.500 2.159 2.140 2.186 . 0 0 "[ . 1 . 2 .]" 1
986 1 142 ARG HA 1 143 THR H 2.500 . 2.500 2.140 2.127 2.169 . 0 0 "[ . 1 . 2 .]" 1
987 1 143 THR HA 1 144 VAL H 3.500 . 3.500 2.204 2.136 2.220 . 0 0 "[ . 1 . 2 .]" 1
988 1 144 VAL HA 1 145 GLU H 2.500 . 2.500 2.163 2.154 2.178 . 0 0 "[ . 1 . 2 .]" 1
989 1 145 GLU HA 1 146 ASP H 3.500 . 3.500 2.176 2.150 2.203 . 0 0 "[ . 1 . 2 .]" 1
990 1 146 ASP HA 1 147 THR H 3.000 . 3.000 2.650 2.522 2.844 . 0 0 "[ . 1 . 2 .]" 1
991 1 147 THR HA 1 148 ASN H 4.500 . 4.500 3.546 3.441 3.559 . 0 0 "[ . 1 . 2 .]" 1
992 1 148 ASN H 1 149 PRO HA 5.500 . 5.500 5.511 5.382 5.528 0.028 23 0 "[ . 1 . 2 .]" 1
993 1 149 PRO HA 1 150 ALA H 3.600 . 3.600 3.514 3.453 3.547 . 0 0 "[ . 1 . 2 .]" 1
994 1 150 ALA HA 1 151 LEU H 4.500 . 4.500 3.469 3.423 3.522 . 0 0 "[ . 1 . 2 .]" 1
995 1 151 LEU HA 1 152 THR H 3.500 . 3.500 3.198 3.147 3.261 . 0 0 "[ . 1 . 2 .]" 1
996 1 153 HIS HA 1 154 THR H 3.500 . 3.500 2.373 2.282 2.694 . 0 0 "[ . 1 . 2 .]" 1
997 1 154 THR HA 1 155 TYR H 2.500 . 2.500 2.226 2.154 2.419 . 0 0 "[ . 1 . 2 .]" 1
998 1 155 TYR HA 1 156 GLU H 3.500 . 3.500 2.173 2.158 2.195 . 0 0 "[ . 1 . 2 .]" 1
999 1 156 GLU HA 1 157 VAL H 3.500 . 3.500 2.162 2.123 2.302 . 0 0 "[ . 1 . 2 .]" 1
1000 1 157 VAL HA 1 158 TRP H 2.500 . 2.500 2.162 2.148 2.179 . 0 0 "[ . 1 . 2 .]" 1
1001 1 158 TRP HA 1 159 GLN H 2.500 . 2.500 2.255 2.223 2.275 . 0 0 "[ . 1 . 2 .]" 1
1002 1 159 GLN HA 1 160 LYS H 2.500 . 2.500 2.148 2.122 2.169 . 0 0 "[ . 1 . 2 .]" 1
1003 1 160 LYS HA 1 161 LYS H 2.500 . 2.500 2.145 2.121 2.168 . 0 0 "[ . 1 . 2 .]" 1
1004 1 1 THR HB 1 2 ALA H 4.500 . 4.500 3.942 3.578 4.293 . 0 0 "[ . 1 . 2 .]" 1
1005 1 2 ALA MB 1 3 PHE H 3.500 . 3.500 2.644 2.513 2.780 . 0 0 "[ . 1 . 2 .]" 1
1006 1 3 PHE QB 1 4 LEU H 4.500 . 4.500 3.585 3.523 3.653 . 0 0 "[ . 1 . 2 .]" 1
1007 1 5 TRP QB 1 6 ALA H 2.500 . 2.500 2.450 2.310 2.508 0.008 11 0 "[ . 1 . 2 .]" 1
1008 1 6 ALA MB 1 7 GLN H 3.500 . 3.500 2.965 2.685 3.078 . 0 0 "[ . 1 . 2 .]" 1
1009 1 7 GLN QB 1 8 ASP H 3.500 . 3.500 2.737 2.463 3.057 . 0 0 "[ . 1 . 2 .]" 1
1010 1 9 ARG HB2 1 10 ASP H 4.500 . 4.500 3.126 2.425 4.046 . 0 0 "[ . 1 . 2 .]" 1
1011 1 10 ASP HB3 1 11 GLY H 3.500 . 3.500 3.135 2.801 3.505 0.005 20 0 "[ . 1 . 2 .]" 1
1012 1 10 ASP HB2 1 11 GLY H 4.500 . 4.500 3.578 2.997 3.951 . 0 0 "[ . 1 . 2 .]" 1
1013 1 24 PRO HB2 1 25 ASP H 4.500 . 4.500 3.310 2.600 4.371 . 0 0 "[ . 1 . 2 .]" 1
1014 1 32 ALA MB 1 33 GLN H 3.500 . 3.500 2.908 2.581 3.188 . 0 0 "[ . 1 . 2 .]" 1
1015 1 35 VAL HB 1 36 GLY H 3.500 . 3.500 2.728 2.416 3.461 . 0 0 "[ . 1 . 2 .]" 1
1016 1 38 ILE HB 1 39 MET H 4.600 . 4.600 4.456 4.345 4.520 . 0 0 "[ . 1 . 2 .]" 1
1017 1 40 VAL HB 1 41 VAL H 4.000 . 4.000 3.783 3.508 4.033 0.033 23 0 "[ . 1 . 2 .]" 1
1018 1 43 ARG QB 1 44 ARG H 3.500 . 3.500 3.199 3.013 3.354 . 0 0 "[ . 1 . 2 .]" 1
1019 1 45 THR HB 1 46 TYR H 4.500 . 4.500 2.504 2.229 2.827 . 0 0 "[ . 1 . 2 .]" 1
1020 1 47 GLU HB2 1 48 SER H 3.500 . 3.500 2.534 2.120 2.799 . 0 0 "[ . 1 . 2 .]" 1
1021 1 47 GLU HB3 1 48 SER H 4.500 . 4.500 2.560 2.298 3.017 . 0 0 "[ . 1 . 2 .]" 1
1022 1 48 SER QB 1 49 PHE H 4.500 . 4.500 2.911 2.494 3.520 . 0 0 "[ . 1 . 2 .]" 1
1023 1 50 PRO HB2 1 51 LYS H 3.500 . 3.500 2.469 1.768 2.856 . 0 0 "[ . 1 . 2 .]" 1
1024 1 50 PRO HB3 1 51 LYS H 4.500 . 4.500 3.831 3.246 4.118 . 0 0 "[ . 1 . 2 .]" 1
1025 1 51 LYS QB 1 52 ARG H 4.000 . 4.000 3.401 2.314 3.848 . 0 0 "[ . 1 . 2 .]" 1
1026 1 53 PRO QB 1 54 LEU H 3.500 . 3.500 2.217 1.918 2.698 . 0 0 "[ . 1 . 2 .]" 1
1027 1 55 PRO QB 1 56 GLU H 4.500 . 4.500 3.164 1.840 3.825 . 0 0 "[ . 1 . 2 .]" 1
1028 1 57 ARG HB3 1 58 THR H 4.500 . 4.500 3.621 3.184 3.964 . 0 0 "[ . 1 . 2 .]" 1
1029 1 58 THR HB 1 59 ASN H 4.500 . 4.500 4.344 4.248 4.431 . 0 0 "[ . 1 . 2 .]" 1
1030 1 59 ASN QB 1 60 VAL H 4.500 . 4.500 2.650 2.475 2.984 . 0 0 "[ . 1 . 2 .]" 1
1031 1 64 HIS QB 1 65 GLN H 4.500 . 4.500 3.266 3.183 3.419 . 0 0 "[ . 1 . 2 .]" 1
1032 1 65 GLN QB 1 66 GLU H 4.500 . 4.500 3.659 3.471 3.783 . 0 0 "[ . 1 . 2 .]" 1
1033 1 66 GLU QB 1 67 ASP H 3.500 . 3.500 3.149 2.810 3.505 0.005 9 0 "[ . 1 . 2 .]" 1
1034 1 67 ASP QB 1 68 TYR H 4.500 . 4.500 3.548 3.409 3.960 . 0 0 "[ . 1 . 2 .]" 1
1035 1 68 TYR QB 1 69 GLN H 3.600 . 3.600 3.493 3.388 3.564 . 0 0 "[ . 1 . 2 .]" 1
1036 1 69 GLN HB2 1 70 ALA H 3.200 . 3.200 3.266 3.253 3.280 0.080 23 0 "[ . 1 . 2 .]" 1
1037 1 69 GLN HB3 1 70 ALA H 4.500 . 4.500 1.939 1.840 1.990 . 0 0 "[ . 1 . 2 .]" 1
1038 1 70 ALA MB 1 71 GLN H 3.500 . 3.500 2.861 2.743 3.042 . 0 0 "[ . 1 . 2 .]" 1
1039 1 71 GLN QB 1 72 GLY H 4.500 . 4.500 3.674 3.612 3.744 . 0 0 "[ . 1 . 2 .]" 1
1040 1 73 ALA MB 1 74 VAL H 2.500 . 2.500 2.329 2.154 2.478 . 0 0 "[ . 1 . 2 .]" 1
1041 1 75 VAL HB 1 76 VAL H 4.500 . 4.500 4.225 4.115 4.343 . 0 0 "[ . 1 . 2 .]" 1
1042 1 76 VAL HB 1 77 HIS H 2.500 . 2.500 2.333 2.080 2.505 0.005 25 0 "[ . 1 . 2 .]" 1
1043 1 77 HIS QB 1 78 ASP H 4.500 . 4.500 3.010 2.934 3.092 . 0 0 "[ . 1 . 2 .]" 1
1044 1 78 ASP QB 1 79 VAL H 3.500 . 3.500 2.211 1.900 2.695 . 0 0 "[ . 1 . 2 .]" 1
1045 1 79 VAL HB 1 80 ALA H 3.500 . 3.500 3.361 3.315 3.409 . 0 0 "[ . 1 . 2 .]" 1
1046 1 80 ALA MB 1 81 ALA H 3.500 . 3.500 2.705 2.584 2.829 . 0 0 "[ . 1 . 2 .]" 1
1047 1 81 ALA MB 1 82 VAL H 3.500 . 3.500 2.877 2.715 2.966 . 0 0 "[ . 1 . 2 .]" 1
1048 1 81 ALA H 1 82 VAL HB 5.500 . 5.500 4.843 4.649 4.943 . 0 0 "[ . 1 . 2 .]" 1
1049 1 82 VAL HB 1 83 PHE H 3.500 . 3.500 2.294 2.192 2.406 . 0 0 "[ . 1 . 2 .]" 1
1050 1 83 PHE QB 1 84 ALA H 3.500 . 3.500 2.906 2.849 2.960 . 0 0 "[ . 1 . 2 .]" 1
1051 1 84 ALA MB 1 85 TYR H 3.000 . 3.000 2.588 2.411 2.745 . 0 0 "[ . 1 . 2 .]" 1
1052 1 85 TYR HB2 1 86 ALA H 3.800 . 3.800 3.662 3.555 3.738 . 0 0 "[ . 1 . 2 .]" 1
1053 1 85 TYR HB3 1 86 ALA H 4.500 . 4.500 2.248 2.171 2.340 . 0 0 "[ . 1 . 2 .]" 1
1054 1 86 ALA MB 1 87 LYS H 3.500 . 3.500 2.966 2.849 3.026 . 0 0 "[ . 1 . 2 .]" 1
1055 1 87 LYS QB 1 88 GLN H 3.500 . 3.500 2.852 2.453 3.478 . 0 0 "[ . 1 . 2 .]" 1
1056 1 88 GLN QB 1 89 HIS H 3.500 . 3.500 3.315 3.155 3.521 0.021 17 0 "[ . 1 . 2 .]" 1
1057 1 88 GLN H 1 89 HIS HB2 4.500 . 4.500 4.456 4.302 4.509 0.009 20 0 "[ . 1 . 2 .]" 1
1058 1 90 PRO HB3 1 91 ASP H 4.800 . 4.800 4.499 4.443 4.517 . 0 0 "[ . 1 . 2 .]" 1
1059 1 90 PRO HB2 1 91 ASP H 4.500 . 4.500 3.921 3.799 3.951 . 0 0 "[ . 1 . 2 .]" 1
1060 1 91 ASP QB 1 92 GLN H 3.500 . 3.500 2.847 2.628 3.320 . 0 0 "[ . 1 . 2 .]" 1
1061 1 92 GLN QB 1 93 GLU H 3.500 . 3.500 2.489 2.320 2.692 . 0 0 "[ . 1 . 2 .]" 1
1062 1 94 LEU HB3 1 95 VAL H 4.500 . 4.500 4.168 3.912 4.336 . 0 0 "[ . 1 . 2 .]" 1
1063 1 95 VAL HB 1 96 ILE H 4.500 . 4.500 4.300 4.185 4.428 . 0 0 "[ . 1 . 2 .]" 1
1064 1 97 ALA MB 1 98 GLY H 4.000 . 4.000 2.584 2.298 2.811 . 0 0 "[ . 1 . 2 .]" 1
1065 1 100 ALA MB 1 101 GLN H 3.500 . 3.500 2.340 2.192 2.520 . 0 0 "[ . 1 . 2 .]" 1
1066 1 102 ILE HB 1 103 PHE H 3.500 . 3.500 2.914 2.680 3.094 . 0 0 "[ . 1 . 2 .]" 1
1067 1 103 PHE QB 1 104 THR H 4.500 . 4.500 2.470 2.392 2.565 . 0 0 "[ . 1 . 2 .]" 1
1068 1 105 ALA MB 1 106 PHE H 3.500 . 3.500 2.605 2.406 2.729 . 0 0 "[ . 1 . 2 .]" 1
1069 1 106 PHE QB 1 107 LYS H 4.500 . 4.500 3.315 3.206 3.404 . 0 0 "[ . 1 . 2 .]" 1
1070 1 107 LYS QB 1 108 ASP H 3.600 . 3.600 3.496 3.410 3.550 . 0 0 "[ . 1 . 2 .]" 1
1071 1 108 ASP QB 1 109 ASP H 4.500 . 4.500 3.331 2.903 3.480 . 0 0 "[ . 1 . 2 .]" 1
1072 1 109 ASP HB3 1 110 VAL H 4.000 . 4.000 3.864 3.730 3.965 . 0 0 "[ . 1 . 2 .]" 1
1073 1 109 ASP HB2 1 110 VAL H 3.500 . 3.500 3.106 2.836 3.266 . 0 0 "[ . 1 . 2 .]" 1
1074 1 110 VAL HB 1 111 ASP H 4.500 . 4.500 4.212 4.032 4.317 . 0 0 "[ . 1 . 2 .]" 1
1075 1 111 ASP QB 1 112 THR H 4.500 . 4.500 3.425 3.170 3.551 . 0 0 "[ . 1 . 2 .]" 1
1076 1 112 THR HB 1 113 LEU H 5.500 . 5.500 4.135 4.035 4.236 . 0 0 "[ . 1 . 2 .]" 1
1077 1 113 LEU QB 1 114 LEU H 5.500 . 5.500 2.748 2.698 2.816 . 0 0 "[ . 1 . 2 .]" 1
1078 1 115 VAL HB 1 116 THR H 4.500 . 4.500 2.943 2.806 3.076 . 0 0 "[ . 1 . 2 .]" 1
1079 1 117 ARG QB 1 118 LEU H 4.500 . 4.500 3.820 3.611 3.973 . 0 0 "[ . 1 . 2 .]" 1
1080 1 122 PHE QB 1 123 GLU H 3.500 . 3.500 2.554 2.154 2.971 . 0 0 "[ . 1 . 2 .]" 1
1081 1 123 GLU QB 1 124 GLY H 3.500 . 3.500 2.755 2.305 3.328 . 0 0 "[ . 1 . 2 .]" 1
1082 1 126 THR HB 1 127 LYS H 5.500 . 5.500 3.991 3.647 4.277 . 0 0 "[ . 1 . 2 .]" 1
1083 1 127 LYS QB 1 128 MET H 4.500 . 4.500 2.607 1.912 3.492 . 0 0 "[ . 1 . 2 .]" 1
1084 1 130 PRO QB 1 131 LEU H 3.800 . 3.800 3.656 3.206 3.781 . 0 0 "[ . 1 . 2 .]" 1
1085 1 131 LEU QB 1 132 ASN H 3.500 . 3.500 2.987 2.890 3.142 . 0 0 "[ . 1 . 2 .]" 1
1086 1 132 ASN QB 1 133 TRP H 4.500 . 4.500 3.975 3.957 3.989 . 0 0 "[ . 1 . 2 .]" 1
1087 1 133 TRP QB 1 134 ASP H 3.500 . 3.500 3.018 2.878 3.146 . 0 0 "[ . 1 . 2 .]" 1
1088 1 135 ASP QB 1 136 PHE H 3.500 . 3.500 3.023 2.856 3.240 . 0 0 "[ . 1 . 2 .]" 1
1089 1 136 PHE QB 1 137 THR H 3.500 . 3.500 2.226 2.086 2.392 . 0 0 "[ . 1 . 2 .]" 1
1090 1 137 THR HB 1 138 LYS H 4.500 . 4.500 4.240 4.200 4.275 . 0 0 "[ . 1 . 2 .]" 1
1091 1 138 LYS HB3 1 139 VAL H 5.500 . 5.500 4.315 4.197 4.413 . 0 0 "[ . 1 . 2 .]" 1
1092 1 138 LYS HB2 1 139 VAL H 4.500 . 4.500 4.368 4.192 4.459 . 0 0 "[ . 1 . 2 .]" 1
1093 1 139 VAL HB 1 140 SER H 4.500 . 4.500 4.081 3.938 4.239 . 0 0 "[ . 1 . 2 .]" 1
1094 1 140 SER QB 1 141 SER H 4.500 . 4.500 2.945 2.847 3.036 . 0 0 "[ . 1 . 2 .]" 1
1095 1 141 SER QB 1 142 ARG H 4.500 . 4.500 3.552 3.400 3.792 . 0 0 "[ . 1 . 2 .]" 1
1096 1 142 ARG QB 1 143 THR H 4.500 . 4.500 3.722 3.603 3.810 . 0 0 "[ . 1 . 2 .]" 1
1097 1 145 GLU QB 1 146 ASP H 4.500 . 4.500 3.610 3.524 3.676 . 0 0 "[ . 1 . 2 .]" 1
1098 1 147 THR HB 1 148 ASN H 4.500 . 4.500 3.373 2.887 4.037 . 0 0 "[ . 1 . 2 .]" 1
1099 1 149 PRO QB 1 150 ALA H 3.500 . 3.500 3.216 3.102 3.393 . 0 0 "[ . 1 . 2 .]" 1
1100 1 150 ALA MB 1 151 LEU H 3.500 . 3.500 2.994 2.836 3.100 . 0 0 "[ . 1 . 2 .]" 1
1101 1 151 LEU QB 1 152 THR H 4.500 . 4.500 3.517 3.417 3.574 . 0 0 "[ . 1 . 2 .]" 1
1102 1 153 HIS QB 1 154 THR H 4.500 . 4.500 2.429 1.824 2.577 . 0 0 "[ . 1 . 2 .]" 1
1103 1 154 THR HB 1 155 TYR H 4.500 . 4.500 3.912 3.536 4.176 . 0 0 "[ . 1 . 2 .]" 1
1104 1 155 TYR HB2 1 156 GLU H 4.600 . 4.600 4.467 4.407 4.606 0.006 19 0 "[ . 1 . 2 .]" 1
1105 1 155 TYR HB3 1 156 GLU H 5.500 . 5.500 3.769 3.679 3.880 . 0 0 "[ . 1 . 2 .]" 1
1106 1 156 GLU QB 1 157 VAL H 4.500 . 4.500 3.102 2.600 3.280 . 0 0 "[ . 1 . 2 .]" 1
1107 1 158 TRP HB2 1 159 GLN H 4.500 . 4.500 3.770 3.698 3.857 . 0 0 "[ . 1 . 2 .]" 1
1108 1 158 TRP HB3 1 159 GLN H 5.500 . 5.500 2.770 2.702 2.862 . 0 0 "[ . 1 . 2 .]" 1
1109 1 159 GLN QB 1 160 LYS H 4.500 . 4.500 3.406 3.200 3.569 . 0 0 "[ . 1 . 2 .]" 1
1110 1 161 LYS QB 1 162 ALA H 2.500 . 2.500 2.066 1.747 2.528 0.028 21 0 "[ . 1 . 2 .]" 1
1111 1 1 THR H1 1 2 ALA H 3.500 . 3.500 4.285 3.566 4.570 1.070 5 21 "[****+******* -** * ** ***]" 1
1112 1 3 PHE QD 1 4 LEU H 4.500 . 4.500 4.079 3.669 4.332 . 0 0 "[ . 1 . 2 .]" 1
1113 1 4 LEU MD1 1 5 TRP H 4.500 . 4.500 3.877 2.761 4.511 0.011 6 0 "[ . 1 . 2 .]" 1
1114 1 4 LEU MD2 1 5 TRP H 4.500 . 4.500 3.878 3.274 4.529 0.029 4 0 "[ . 1 . 2 .]" 1
1115 1 4 LEU MD1 1 5 TRP HE3 4.500 . 4.500 4.294 3.965 4.533 0.033 9 0 "[ . 1 . 2 .]" 1
1116 1 5 TRP HE3 1 6 ALA H 6.000 . 6.000 5.659 5.510 5.796 . 0 0 "[ . 1 . 2 .]" 1
1117 1 9 ARG QD 1 10 ASP H 3.500 . 3.500 3.380 1.909 3.521 0.021 15 0 "[ . 1 . 2 .]" 1
1118 1 9 ARG QG 1 10 ASP H 3.500 . 3.500 2.771 1.977 3.536 0.036 20 0 "[ . 1 . 2 .]" 1
1119 1 24 PRO HG2 1 25 ASP H 4.500 . 4.500 3.002 1.960 4.503 0.003 3 0 "[ . 1 . 2 .]" 1
1120 1 34 THR H 1 35 VAL QG 3.500 . 3.500 3.019 2.739 3.471 . 0 0 "[ . 1 . 2 .]" 1
1121 1 35 VAL QG 1 36 GLY H 3.500 . 3.500 3.239 2.622 3.552 0.052 23 0 "[ . 1 . 2 .]" 1
1122 1 38 ILE MD 1 39 MET H 6.000 . 6.000 5.565 5.436 5.607 . 0 0 "[ . 1 . 2 .]" 1
1123 1 38 ILE MG 1 39 MET H 3.500 . 3.500 3.341 2.846 3.506 0.006 15 0 "[ . 1 . 2 .]" 1
1124 1 39 MET ME 1 40 VAL H 4.500 . 4.500 4.362 4.028 4.514 0.014 18 0 "[ . 1 . 2 .]" 1
1125 1 39 MET ME 1 40 VAL HA 4.500 . 4.500 4.218 3.741 4.504 0.004 7 0 "[ . 1 . 2 .]" 1
1126 1 40 VAL MG1 1 41 VAL H 3.500 . 3.500 2.157 1.847 2.678 . 0 0 "[ . 1 . 2 .]" 1
1127 1 40 VAL HA 1 41 VAL MG2 4.000 . 4.000 3.706 3.411 3.950 . 0 0 "[ . 1 . 2 .]" 1
1128 1 40 VAL MG2 1 41 VAL H 4.500 . 4.500 4.013 3.771 4.234 . 0 0 "[ . 1 . 2 .]" 1
1129 1 41 VAL MG1 1 42 GLY H 4.500 . 4.500 3.848 3.717 3.955 . 0 0 "[ . 1 . 2 .]" 1
1130 1 41 VAL MG2 1 42 GLY H 4.000 . 4.000 3.673 3.458 3.822 . 0 0 "[ . 1 . 2 .]" 1
1131 1 45 THR MG 1 46 TYR H 3.800 . 3.800 3.692 3.515 3.805 0.005 16 0 "[ . 1 . 2 .]" 1
1132 1 49 PHE QB 1 50 PRO HD3 4.500 . 4.500 3.855 2.862 4.254 . 0 0 "[ . 1 . 2 .]" 1
1133 1 50 PRO QD 1 51 LYS H 4.500 . 4.500 3.064 2.738 3.560 . 0 0 "[ . 1 . 2 .]" 1
1134 1 50 PRO HG2 1 51 LYS H 4.500 . 4.500 4.108 3.602 4.387 . 0 0 "[ . 1 . 2 .]" 1
1135 1 50 PRO HB3 1 51 LYS HB2 4.500 . 4.500 4.300 3.911 4.518 0.018 12 0 "[ . 1 . 2 .]" 1
1136 1 50 PRO HB3 1 51 LYS HB3 5.400 . 5.400 5.374 5.180 5.419 0.019 24 0 "[ . 1 . 2 .]" 1
1137 1 51 LYS QG 1 52 ARG H 3.500 . 3.500 2.322 1.872 3.201 . 0 0 "[ . 1 . 2 .]" 1
1138 1 54 LEU MD2 1 55 PRO HD2 3.500 . 3.500 2.290 1.826 3.013 . 0 0 "[ . 1 . 2 .]" 1
1139 1 54 LEU HB3 1 55 PRO HD3 4.500 . 4.500 3.601 3.291 3.978 . 0 0 "[ . 1 . 2 .]" 1
1140 1 54 LEU HB3 1 55 PRO HD2 4.500 . 4.500 2.145 1.822 2.661 . 0 0 "[ . 1 . 2 .]" 1
1141 1 54 LEU HB2 1 55 PRO HD3 5.000 . 5.000 4.798 4.579 5.018 0.018 12 0 "[ . 1 . 2 .]" 1
1142 1 54 LEU HA 1 55 PRO HD2 3.500 . 3.500 2.386 2.128 2.677 . 0 0 "[ . 1 . 2 .]" 1
1143 1 54 LEU HA 1 55 PRO HD3 3.500 . 3.500 2.430 2.226 2.655 . 0 0 "[ . 1 . 2 .]" 1
1144 1 54 LEU MD2 1 55 PRO HD3 3.500 . 3.500 3.048 2.369 3.478 . 0 0 "[ . 1 . 2 .]" 1
1145 1 55 PRO HA 1 56 GLU QG 4.500 . 4.500 3.715 3.287 4.495 . 0 0 "[ . 1 . 2 .]" 1
1146 1 56 GLU HA 1 57 ARG QG 5.500 . 5.500 4.461 4.089 4.948 . 0 0 "[ . 1 . 2 .]" 1
1147 1 56 GLU QG 1 57 ARG H 4.500 . 4.500 4.344 4.139 4.516 0.016 4 0 "[ . 1 . 2 .]" 1
1148 1 58 THR MG 1 59 ASN H 3.500 . 3.500 2.994 2.704 3.249 . 0 0 "[ . 1 . 2 .]" 1
1149 1 58 THR H 1 59 ASN HD21 4.500 . 4.500 4.241 3.882 4.507 0.007 18 0 "[ . 1 . 2 .]" 1
1150 1 60 VAL MG1 1 61 VAL H 3.500 . 3.500 2.293 1.952 2.556 . 0 0 "[ . 1 . 2 .]" 1
1151 1 60 VAL MG2 1 61 VAL H 4.500 . 4.500 4.122 4.035 4.221 . 0 0 "[ . 1 . 2 .]" 1
1152 1 61 VAL MG1 1 62 LEU H 3.500 . 3.500 2.619 2.370 2.993 . 0 0 "[ . 1 . 2 .]" 1
1153 1 61 VAL MG2 1 62 LEU H 4.500 . 4.500 4.032 3.925 4.178 . 0 0 "[ . 1 . 2 .]" 1
1154 1 62 LEU HG 1 63 THR H 4.500 . 4.500 3.350 2.870 4.432 . 0 0 "[ . 1 . 2 .]" 1
1155 1 62 LEU QD 1 63 THR H 4.500 . 4.500 3.582 3.134 3.872 . 0 0 "[ . 1 . 2 .]" 1
1156 1 65 GLN QG 1 66 GLU H 3.500 . 3.500 2.739 2.403 2.962 . 0 0 "[ . 1 . 2 .]" 1
1157 1 68 TYR QE 1 69 GLN H 4.000 . 4.000 3.809 3.653 3.923 . 0 0 "[ . 1 . 2 .]" 1
1158 1 68 TYR QD 1 69 GLN H 2.600 . 2.600 2.497 2.355 2.607 0.007 22 0 "[ . 1 . 2 .]" 1
1159 1 69 GLN HE22 1 70 ALA H 4.500 . 4.500 4.254 3.821 4.435 . 0 0 "[ . 1 . 2 .]" 1
1160 1 69 GLN HE21 1 70 ALA H 4.500 . 4.500 3.085 2.479 3.830 . 0 0 "[ . 1 . 2 .]" 1
1161 1 69 GLN QG 1 70 ALA H 3.700 . 3.700 3.750 3.739 3.771 0.071 23 0 "[ . 1 . 2 .]" 1
1162 1 71 GLN QG 1 72 GLY H 4.500 . 4.500 4.308 4.160 4.440 . 0 0 "[ . 1 . 2 .]" 1
1163 1 73 ALA MB 1 74 VAL MG1 5.500 . 5.500 4.994 4.963 5.040 . 0 0 "[ . 1 . 2 .]" 1
1164 1 73 ALA HA 1 74 VAL HB 5.500 . 5.500 4.949 4.884 5.023 . 0 0 "[ . 1 . 2 .]" 1
1165 1 73 ALA MB 1 74 VAL MG2 4.500 . 4.500 3.899 3.771 4.021 . 0 0 "[ . 1 . 2 .]" 1
1166 1 73 ALA MB 1 74 VAL HB 5.500 . 5.500 4.454 4.377 4.561 . 0 0 "[ . 1 . 2 .]" 1
1167 1 73 ALA HA 1 74 VAL MG2 5.500 . 5.500 3.287 3.197 3.431 . 0 0 "[ . 1 . 2 .]" 1
1168 1 73 ALA HA 1 74 VAL MG1 5.600 . 5.600 5.458 5.423 5.481 . 0 0 "[ . 1 . 2 .]" 1
1169 1 74 VAL MG1 1 75 VAL HA 4.000 . 4.000 3.940 3.807 4.002 0.002 7 0 "[ . 1 . 2 .]" 1
1170 1 74 VAL QG 1 75 VAL H 3.500 . 3.500 2.186 2.023 2.387 . 0 0 "[ . 1 . 2 .]" 1
1171 1 74 VAL HA 1 75 VAL MG1 5.600 . 5.600 5.441 5.426 5.455 . 0 0 "[ . 1 . 2 .]" 1
1172 1 75 VAL MG2 1 76 VAL H 4.500 . 4.500 4.160 4.088 4.227 . 0 0 "[ . 1 . 2 .]" 1
1173 1 75 VAL H 1 76 VAL QG 3.900 . 3.900 3.837 3.696 3.906 0.006 16 0 "[ . 1 . 2 .]" 1
1174 1 75 VAL HA 1 76 VAL MG1 4.500 . 4.500 3.847 3.657 4.052 . 0 0 "[ . 1 . 2 .]" 1
1175 1 76 VAL MG2 1 77 HIS HA 5.500 . 5.500 3.819 3.675 3.963 . 0 0 "[ . 1 . 2 .]" 1
1176 1 76 VAL QG 1 77 HIS H 3.500 . 3.500 3.089 2.972 3.208 . 0 0 "[ . 1 . 2 .]" 1
1177 1 79 VAL QG 1 80 ALA MB 4.500 . 4.500 4.212 4.163 4.252 . 0 0 "[ . 1 . 2 .]" 1
1178 1 79 VAL QG 1 80 ALA H 4.500 . 4.500 3.588 3.565 3.613 . 0 0 "[ . 1 . 2 .]" 1
1179 1 81 ALA MB 1 82 VAL HA 4.500 . 4.500 3.869 3.803 3.915 . 0 0 "[ . 1 . 2 .]" 1
1180 1 81 ALA MB 1 82 VAL MG2 3.500 . 3.500 3.258 3.118 3.496 . 0 0 "[ . 1 . 2 .]" 1
1181 1 81 ALA H 1 82 VAL MG2 4.500 . 4.500 3.857 3.695 4.077 . 0 0 "[ . 1 . 2 .]" 1
1182 1 82 VAL MG2 1 83 PHE H 4.500 . 4.500 3.616 3.502 3.774 . 0 0 "[ . 1 . 2 .]" 1
1183 1 82 VAL MG1 1 83 PHE H 3.500 . 3.500 3.381 3.098 3.503 0.003 4 0 "[ . 1 . 2 .]" 1
1184 1 83 PHE QB 1 84 ALA MB 4.500 . 4.500 4.047 3.973 4.106 . 0 0 "[ . 1 . 2 .]" 1
1185 1 83 PHE QD 1 84 ALA H 5.500 . 5.500 4.673 4.632 4.714 . 0 0 "[ . 1 . 2 .]" 1
1186 1 84 ALA MB 1 85 TYR QB 4.500 . 4.500 3.833 3.726 3.920 . 0 0 "[ . 1 . 2 .]" 1
1187 1 85 TYR QD 1 86 ALA HA 3.500 . 3.500 3.195 2.706 3.498 . 0 0 "[ . 1 . 2 .]" 1
1188 1 85 TYR QD 1 86 ALA H 3.500 . 3.500 3.139 2.681 3.367 . 0 0 "[ . 1 . 2 .]" 1
1189 1 88 GLN H 1 89 HIS HD2 4.500 . 4.500 3.592 3.354 3.979 . 0 0 "[ . 1 . 2 .]" 1
1190 1 88 GLN QG 1 89 HIS H 5.500 . 5.500 4.359 3.310 4.687 . 0 0 "[ . 1 . 2 .]" 1
1191 1 89 HIS H 1 90 PRO HD3 3.500 . 3.500 2.990 2.798 3.143 . 0 0 "[ . 1 . 2 .]" 1
1192 1 89 HIS H 1 90 PRO HD2 3.800 . 3.800 3.759 3.619 3.808 0.008 20 0 "[ . 1 . 2 .]" 1
1193 1 89 HIS HA 1 90 PRO HD2 2.500 . 2.500 2.181 2.105 2.271 . 0 0 "[ . 1 . 2 .]" 1
1194 1 89 HIS HA 1 90 PRO HD3 3.500 . 3.500 3.097 3.050 3.221 . 0 0 "[ . 1 . 2 .]" 1
1195 1 90 PRO QD 1 91 ASP H 4.500 . 4.500 2.994 2.878 3.074 . 0 0 "[ . 1 . 2 .]" 1
1196 1 90 PRO HG3 1 91 ASP H 5.000 . 5.000 4.602 4.505 4.649 . 0 0 "[ . 1 . 2 .]" 1
1197 1 90 PRO HG2 1 91 ASP H 3.500 . 3.500 3.297 3.170 3.349 . 0 0 "[ . 1 . 2 .]" 1
1198 1 92 GLN HE21 1 93 GLU H 4.500 . 4.500 4.394 3.913 4.517 0.017 23 0 "[ . 1 . 2 .]" 1
1199 1 94 LEU QD 1 95 VAL H 3.500 . 3.500 3.067 2.099 3.501 0.001 25 0 "[ . 1 . 2 .]" 1
1200 1 95 VAL QG 1 96 ILE H 3.500 . 3.500 2.874 2.594 3.125 . 0 0 "[ . 1 . 2 .]" 1
1201 1 96 ILE MD 1 97 ALA H 4.500 . 4.500 3.863 3.712 4.032 . 0 0 "[ . 1 . 2 .]" 1
1202 1 96 ILE MG 1 97 ALA H 3.500 . 3.500 2.320 1.981 2.640 . 0 0 "[ . 1 . 2 .]" 1
1203 1 97 ALA MB 1 98 GLY QA 4.500 . 4.500 3.546 3.479 3.602 . 0 0 "[ . 1 . 2 .]" 1
1204 1 101 GLN QG 1 102 ILE QG 3.500 . 3.500 2.341 1.965 3.508 0.008 24 0 "[ . 1 . 2 .]" 1
1205 1 101 GLN H 1 102 ILE QG 5.500 . 5.500 4.114 3.956 4.299 . 0 0 "[ . 1 . 2 .]" 1
1206 1 101 GLN H 1 102 ILE MD 5.500 . 5.500 5.143 4.861 5.434 . 0 0 "[ . 1 . 2 .]" 1
1207 1 101 GLN QE 1 102 ILE MD 4.500 . 4.500 3.448 1.903 4.420 . 0 0 "[ . 1 . 2 .]" 1
1208 1 101 GLN QB 1 102 ILE MD 4.500 . 4.500 3.869 3.581 4.245 . 0 0 "[ . 1 . 2 .]" 1
1209 1 101 GLN QG 1 102 ILE MD 3.500 . 3.500 2.747 2.130 3.277 . 0 0 "[ . 1 . 2 .]" 1
1210 1 102 ILE H 1 103 PHE QD 5.500 . 5.500 5.022 4.975 5.158 . 0 0 "[ . 1 . 2 .]" 1
1211 1 102 ILE MG 1 103 PHE H 3.800 . 3.800 3.736 3.615 3.810 0.010 9 0 "[ . 1 . 2 .]" 1
1212 1 102 ILE QG 1 103 PHE H 4.500 . 4.500 4.066 3.905 4.200 . 0 0 "[ . 1 . 2 .]" 1
1213 1 102 ILE MD 1 103 PHE H 5.500 . 5.500 4.708 4.567 4.784 . 0 0 "[ . 1 . 2 .]" 1
1214 1 103 PHE QD 1 104 THR H 4.800 . 4.800 4.470 4.408 4.546 . 0 0 "[ . 1 . 2 .]" 1
1215 1 104 THR MG 1 105 ALA H 3.500 . 3.500 2.722 2.553 2.938 . 0 0 "[ . 1 . 2 .]" 1
1216 1 107 LYS QG 1 108 ASP H 4.500 . 4.500 2.259 2.134 2.353 . 0 0 "[ . 1 . 2 .]" 1
1217 1 107 LYS QE 1 108 ASP H 4.500 . 4.500 4.095 3.604 4.521 0.021 24 0 "[ . 1 . 2 .]" 1
1218 1 107 LYS HG2 1 108 ASP H 3.500 . 3.500 2.360 2.151 2.495 . 0 0 "[ . 1 . 2 .]" 1
1219 1 107 LYS QD 1 108 ASP H 4.500 . 4.500 4.324 4.028 4.444 . 0 0 "[ . 1 . 2 .]" 1
1220 1 109 ASP HB2 1 110 VAL HA 5.500 . 5.500 4.483 4.130 4.700 . 0 0 "[ . 1 . 2 .]" 1
1221 1 110 VAL MG2 1 111 ASP H 4.500 . 4.500 3.952 3.798 4.074 . 0 0 "[ . 1 . 2 .]" 1
1222 1 110 VAL MG1 1 111 ASP H 3.500 . 3.500 2.558 2.312 2.787 . 0 0 "[ . 1 . 2 .]" 1
1223 1 112 THR MG 1 113 LEU H 3.500 . 3.500 2.425 2.192 2.660 . 0 0 "[ . 1 . 2 .]" 1
1224 1 113 LEU MD2 1 114 LEU H 4.500 . 4.500 3.645 3.219 3.833 . 0 0 "[ . 1 . 2 .]" 1
1225 1 113 LEU MD1 1 114 LEU H 5.500 . 5.500 4.884 4.800 4.952 . 0 0 "[ . 1 . 2 .]" 1
1226 1 114 LEU MD2 1 115 VAL H 4.500 . 4.500 4.061 3.834 4.256 . 0 0 "[ . 1 . 2 .]" 1
1227 1 114 LEU HA 1 115 VAL MG1 5.500 . 5.500 3.535 3.462 3.628 . 0 0 "[ . 1 . 2 .]" 1
1228 1 115 VAL MG1 1 116 THR H 4.500 . 4.500 4.106 4.020 4.164 . 0 0 "[ . 1 . 2 .]" 1
1229 1 115 VAL MG2 1 116 THR H 3.500 . 3.500 3.372 3.192 3.508 0.008 2 0 "[ . 1 . 2 .]" 1
1230 1 115 VAL HA 1 116 THR MG 4.800 . 4.800 4.637 4.488 4.771 . 0 0 "[ . 1 . 2 .]" 1
1231 1 116 THR MG 1 117 ARG H 3.600 . 3.600 3.568 3.423 3.618 0.018 1 0 "[ . 1 . 2 .]" 1
1232 1 122 PHE QD 1 123 GLU H 4.500 . 4.500 4.260 3.946 4.512 0.012 12 0 "[ . 1 . 2 .]" 1
1233 1 123 GLU HG2 1 124 GLY H 3.500 . 3.500 3.268 2.912 3.510 0.010 24 0 "[ . 1 . 2 .]" 1
1234 1 123 GLU HG3 1 124 GLY H 4.500 . 4.500 4.354 3.774 4.507 0.007 17 0 "[ . 1 . 2 .]" 1
1235 1 126 THR MG 1 127 LYS H 3.500 . 3.500 2.531 1.987 3.159 . 0 0 "[ . 1 . 2 .]" 1
1236 1 128 MET ME 1 129 ILE HG13 3.500 . 3.500 2.011 1.853 2.516 . 0 0 "[ . 1 . 2 .]" 1
1237 1 128 MET ME 1 129 ILE HG12 3.500 . 3.500 2.618 2.068 3.125 . 0 0 "[ . 1 . 2 .]" 1
1238 1 128 MET ME 1 129 ILE H 4.500 . 4.500 2.726 2.399 3.160 . 0 0 "[ . 1 . 2 .]" 1
1239 1 128 MET ME 1 129 ILE MG 4.500 . 4.500 3.751 3.465 4.070 . 0 0 "[ . 1 . 2 .]" 1
1240 1 128 MET HA 1 129 ILE MG 3.600 . 3.600 3.551 3.395 3.614 0.014 13 0 "[ . 1 . 2 .]" 1
1241 1 128 MET HG3 1 129 ILE H 3.500 . 3.500 2.790 2.036 3.511 0.011 15 0 "[ . 1 . 2 .]" 1
1242 1 128 MET HG2 1 129 ILE H 4.500 . 4.500 3.000 1.985 4.046 . 0 0 "[ . 1 . 2 .]" 1
1243 1 128 MET ME 1 129 ILE MD 3.500 . 3.500 2.615 2.293 3.099 . 0 0 "[ . 1 . 2 .]" 1
1244 1 129 ILE HB 1 130 PRO HD3 3.500 . 3.500 2.818 2.546 3.153 . 0 0 "[ . 1 . 2 .]" 1
1245 1 129 ILE HB 1 130 PRO HD2 3.500 . 3.500 1.984 1.669 2.264 . 0 0 "[ . 1 . 2 .]" 1
1246 1 129 ILE MG 1 130 PRO HD3 3.500 . 3.500 3.313 3.041 3.515 0.015 13 0 "[ . 1 . 2 .]" 1
1247 1 129 ILE MG 1 130 PRO HD2 3.500 . 3.500 3.296 2.927 3.504 0.004 22 0 "[ . 1 . 2 .]" 1
1248 1 129 ILE HA 1 130 PRO HD3 3.500 . 3.500 2.089 1.943 2.364 . 0 0 "[ . 1 . 2 .]" 1
1249 1 129 ILE HA 1 130 PRO HD2 3.500 . 3.500 2.979 2.671 3.172 . 0 0 "[ . 1 . 2 .]" 1
1250 1 130 PRO QG 1 131 LEU H 5.500 . 5.500 4.842 4.704 4.947 . 0 0 "[ . 1 . 2 .]" 1
1251 1 130 PRO QD 1 131 LEU H 5.500 . 5.500 4.747 4.617 4.981 . 0 0 "[ . 1 . 2 .]" 1
1252 1 131 LEU HA 1 132 ASN QB 5.500 . 5.500 3.977 3.954 4.002 . 0 0 "[ . 1 . 2 .]" 1
1253 1 131 LEU HG 1 132 ASN H 4.500 . 4.500 4.109 3.943 4.265 . 0 0 "[ . 1 . 2 .]" 1
1254 1 131 LEU MD1 1 132 ASN H 4.800 . 4.800 4.619 4.443 4.745 . 0 0 "[ . 1 . 2 .]" 1
1255 1 131 LEU MD2 1 132 ASN H 3.500 . 3.500 2.389 2.140 2.734 . 0 0 "[ . 1 . 2 .]" 1
1256 1 132 ASN H 1 133 TRP HD1 6.000 . 6.000 5.947 5.713 6.008 0.008 12 0 "[ . 1 . 2 .]" 1
1257 1 132 ASN QD 1 133 TRP H 4.500 . 4.500 3.915 3.268 4.224 . 0 0 "[ . 1 . 2 .]" 1
1258 1 133 TRP HD1 1 134 ASP H 5.000 . 5.000 4.893 4.772 4.992 . 0 0 "[ . 1 . 2 .]" 1
1259 1 133 TRP HE3 1 134 ASP H 6.000 . 6.000 5.787 5.694 5.909 . 0 0 "[ . 1 . 2 .]" 1
1260 1 135 ASP HB3 1 136 PHE QD 3.500 . 3.500 3.009 2.712 3.339 . 0 0 "[ . 1 . 2 .]" 1
1261 1 136 PHE QD 1 137 THR H 3.500 . 3.500 3.411 3.200 3.523 0.023 21 0 "[ . 1 . 2 .]" 1
1262 1 136 PHE HA 1 137 THR HB 4.500 . 4.500 4.169 4.106 4.282 . 0 0 "[ . 1 . 2 .]" 1
1263 1 137 THR MG 1 138 LYS H 3.500 . 3.500 2.346 2.212 2.505 . 0 0 "[ . 1 . 2 .]" 1
1264 1 137 THR HA 1 138 LYS QB 5.500 . 5.500 4.064 4.041 4.083 . 0 0 "[ . 1 . 2 .]" 1
1265 1 138 LYS HG2 1 139 VAL H 4.500 . 4.500 4.234 3.921 4.460 . 0 0 "[ . 1 . 2 .]" 1
1266 1 138 LYS HA 1 139 VAL QG 3.500 . 3.500 3.426 3.345 3.488 . 0 0 "[ . 1 . 2 .]" 1
1267 1 138 LYS HG3 1 139 VAL H 4.500 . 4.500 2.915 2.502 3.207 . 0 0 "[ . 1 . 2 .]" 1
1268 1 139 VAL QG 1 140 SER H 3.500 . 3.500 2.305 2.129 2.531 . 0 0 "[ . 1 . 2 .]" 1
1269 1 142 ARG HG2 1 143 THR H 3.600 . 3.600 3.440 2.680 3.607 0.007 6 0 "[ . 1 . 2 .]" 1
1270 1 142 ARG HG3 1 143 THR H 3.600 . 3.600 3.410 2.771 3.609 0.009 4 0 "[ . 1 . 2 .]" 1
1271 1 143 THR MG 1 144 VAL H 3.500 . 3.500 2.330 2.246 2.658 . 0 0 "[ . 1 . 2 .]" 1
1272 1 144 VAL HA 1 145 GLU QB 4.800 . 4.800 4.436 4.265 4.650 . 0 0 "[ . 1 . 2 .]" 1
1273 1 144 VAL HA 1 145 GLU QG 4.500 . 4.500 3.987 3.437 4.430 . 0 0 "[ . 1 . 2 .]" 1
1274 1 144 VAL QG 1 145 GLU H 2.900 . 2.900 2.916 2.867 2.932 0.032 11 0 "[ . 1 . 2 .]" 1
1275 1 144 VAL QG 1 145 GLU QB 4.500 . 4.500 4.389 4.271 4.501 0.001 7 0 "[ . 1 . 2 .]" 1
1276 1 145 GLU QG 1 146 ASP H 5.500 . 5.500 4.340 4.162 4.576 . 0 0 "[ . 1 . 2 .]" 1
1277 1 146 ASP HA 1 147 THR MG 4.500 . 4.500 4.033 3.795 4.307 . 0 0 "[ . 1 . 2 .]" 1
1278 1 147 THR MG 1 148 ASN H 4.000 . 4.000 3.836 3.683 3.933 . 0 0 "[ . 1 . 2 .]" 1
1279 1 148 ASN QB 1 149 PRO QD 3.500 . 3.500 3.395 3.102 3.509 0.009 19 0 "[ . 1 . 2 .]" 1
1280 1 148 ASN HA 1 149 PRO QG 4.500 . 4.500 3.837 3.780 3.957 . 0 0 "[ . 1 . 2 .]" 1
1281 1 148 ASN HA 1 149 PRO QD 2.500 . 2.500 1.933 1.873 2.058 . 0 0 "[ . 1 . 2 .]" 1
1282 1 149 PRO HD2 1 150 ALA H 3.500 . 3.500 2.958 2.731 3.087 . 0 0 "[ . 1 . 2 .]" 1
1283 1 149 PRO QG 1 150 ALA H 3.000 . 3.000 2.575 2.277 2.807 . 0 0 "[ . 1 . 2 .]" 1
1284 1 149 PRO HD3 1 150 ALA H 4.500 . 4.500 4.019 3.894 4.090 . 0 0 "[ . 1 . 2 .]" 1
1285 1 150 ALA H 1 151 LEU MD2 4.600 . 4.600 4.603 4.444 4.617 0.017 18 0 "[ . 1 . 2 .]" 1
1286 1 150 ALA H 1 151 LEU MD1 5.500 . 5.500 5.385 5.264 5.503 0.003 17 0 "[ . 1 . 2 .]" 1
1287 1 151 LEU MD2 1 152 THR H 4.500 . 4.500 4.467 4.398 4.506 0.006 19 0 "[ . 1 . 2 .]" 1
1288 1 152 THR MG 1 153 HIS HA 4.500 . 4.500 3.258 3.045 4.016 . 0 0 "[ . 1 . 2 .]" 1
1289 1 152 THR MG 1 153 HIS H 4.500 . 4.500 2.008 1.718 3.675 . 0 0 "[ . 1 . 2 .]" 1
1290 1 154 THR MG 1 155 TYR H 2.500 . 2.500 2.263 1.854 2.506 0.006 5 0 "[ . 1 . 2 .]" 1
1291 1 155 TYR QD 1 156 GLU H 4.500 . 4.500 4.300 4.034 4.522 0.022 7 0 "[ . 1 . 2 .]" 1
1292 1 157 VAL H 1 158 TRP HD1 5.000 . 5.000 4.252 3.851 4.455 . 0 0 "[ . 1 . 2 .]" 1
1293 1 157 VAL QG 1 158 TRP H 3.500 . 3.500 2.885 2.727 3.060 . 0 0 "[ . 1 . 2 .]" 1
1294 1 158 TRP HE3 1 159 GLN H 4.100 . 4.100 4.099 4.020 4.112 0.012 25 0 "[ . 1 . 2 .]" 1
1295 1 159 GLN QG 1 160 LYS H 4.500 . 4.500 3.847 3.657 4.042 . 0 0 "[ . 1 . 2 .]" 1
1296 1 160 LYS HG3 1 161 LYS H 4.500 . 4.500 3.876 2.452 4.384 . 0 0 "[ . 1 . 2 .]" 1
1297 1 160 LYS HG2 1 161 LYS H 3.500 . 3.500 2.588 2.274 3.505 0.005 10 0 "[ . 1 . 2 .]" 1
1298 1 161 LYS HG3 1 162 ALA H 5.500 . 5.500 4.241 3.477 4.888 . 0 0 "[ . 1 . 2 .]" 1
1299 1 161 LYS QE 1 162 ALA H 4.500 . 4.500 4.365 3.555 4.521 0.021 3 0 "[ . 1 . 2 .]" 1
1300 1 72 GLY H 1 72 GLY HA2 2.500 . 2.500 2.348 2.308 2.402 . 0 0 "[ . 1 . 2 .]" 1
1301 1 2 ALA H 1 2 ALA MB 3.500 . 3.500 2.422 2.299 2.453 . 0 0 "[ . 1 . 2 .]" 1
1302 1 9 ARG H 1 9 ARG QB 3.500 . 3.500 2.825 2.216 2.962 . 0 0 "[ . 1 . 2 .]" 1
1303 1 10 ASP H 1 10 ASP QB 3.500 . 3.500 2.172 2.062 2.338 . 0 0 "[ . 1 . 2 .]" 1
1304 1 12 LEU H 1 12 LEU QB 3.500 . 3.500 2.313 2.067 2.830 . 0 0 "[ . 1 . 2 .]" 1
1305 1 32 ALA H 1 32 ALA MB 2.500 . 2.500 2.136 2.024 2.291 . 0 0 "[ . 1 . 2 .]" 1
1306 1 38 ILE H 1 38 ILE HB 3.500 . 3.500 2.542 2.426 2.631 . 0 0 "[ . 1 . 2 .]" 1
1307 1 40 VAL H 1 40 VAL HB 3.500 . 3.500 2.680 2.512 2.856 . 0 0 "[ . 1 . 2 .]" 1
1308 1 43 ARG H 1 43 ARG QB 3.500 . 3.500 2.585 2.247 2.940 . 0 0 "[ . 1 . 2 .]" 1
1309 1 44 ARG H 1 44 ARG QB 3.500 . 3.500 2.208 2.100 2.249 . 0 0 "[ . 1 . 2 .]" 1
1310 1 46 TYR H 1 46 TYR QB 3.500 . 3.500 2.193 2.135 2.273 . 0 0 "[ . 1 . 2 .]" 1
1311 1 47 GLU H 1 47 GLU QB 3.500 . 3.500 2.128 2.046 2.383 . 0 0 "[ . 1 . 2 .]" 1
1312 1 48 SER H 1 48 SER QB 3.500 . 3.500 2.314 2.082 2.917 . 0 0 "[ . 1 . 2 .]" 1
1313 1 49 PHE H 1 49 PHE QB 3.500 . 3.500 2.177 2.099 2.332 . 0 0 "[ . 1 . 2 .]" 1
1314 1 51 LYS H 1 51 LYS QB 3.500 . 3.500 2.722 2.503 2.922 . 0 0 "[ . 1 . 2 .]" 1
1315 1 52 ARG H 1 52 ARG QB 3.500 . 3.500 2.990 2.550 3.266 . 0 0 "[ . 1 . 2 .]" 1
1316 1 58 THR H 1 58 THR HB 3.500 . 3.500 2.499 2.356 2.637 . 0 0 "[ . 1 . 2 .]" 1
1317 1 59 ASN H 1 59 ASN QB 3.500 . 3.500 2.365 2.281 2.669 . 0 0 "[ . 1 . 2 .]" 1
1318 1 60 VAL H 1 60 VAL HB 3.500 . 3.500 2.864 2.739 3.035 . 0 0 "[ . 1 . 2 .]" 1
1319 1 61 VAL H 1 61 VAL HB 3.500 . 3.500 2.539 2.438 2.631 . 0 0 "[ . 1 . 2 .]" 1
1320 1 62 LEU H 1 62 LEU QB 3.500 . 3.500 2.325 2.234 2.410 . 0 0 "[ . 1 . 2 .]" 1
1321 1 65 GLN H 1 65 GLN QB 3.500 . 3.500 2.227 2.101 2.301 . 0 0 "[ . 1 . 2 .]" 1
1322 1 66 GLU H 1 66 GLU HB2 2.500 . 2.500 2.249 2.105 2.432 . 0 0 "[ . 1 . 2 .]" 1
1323 1 66 GLU H 1 66 GLU HB3 3.600 . 3.600 3.511 3.368 3.602 0.002 2 0 "[ . 1 . 2 .]" 1
1324 1 67 ASP H 1 67 ASP QB 3.000 . 3.000 2.515 2.166 2.823 . 0 0 "[ . 1 . 2 .]" 1
1325 1 68 TYR H 1 68 TYR QB 3.500 . 3.500 2.197 2.168 2.218 . 0 0 "[ . 1 . 2 .]" 1
1326 1 69 GLN H 1 69 GLN HB2 3.500 . 3.500 2.761 2.648 2.862 . 0 0 "[ . 1 . 2 .]" 1
1327 1 70 ALA H 1 70 ALA MB 3.500 . 3.500 2.769 2.740 2.794 . 0 0 "[ . 1 . 2 .]" 1
1328 1 71 GLN H 1 71 GLN QB 2.500 . 2.500 2.329 2.169 2.455 . 0 0 "[ . 1 . 2 .]" 1
1329 1 73 ALA H 1 73 ALA MB 2.500 . 2.500 2.139 2.033 2.505 0.005 9 0 "[ . 1 . 2 .]" 1
1330 1 74 VAL H 1 74 VAL HB 3.500 . 3.500 2.646 2.602 2.707 . 0 0 "[ . 1 . 2 .]" 1
1331 1 75 VAL H 1 75 VAL HB 3.500 . 3.500 2.648 2.591 2.723 . 0 0 "[ . 1 . 2 .]" 1
1332 1 77 HIS H 1 77 HIS HB2 3.500 . 3.500 2.785 2.617 2.950 . 0 0 "[ . 1 . 2 .]" 1
1333 1 78 ASP H 1 78 ASP QB 3.500 . 3.500 2.759 2.698 2.825 . 0 0 "[ . 1 . 2 .]" 1
1334 1 79 VAL H 1 79 VAL HB 3.500 . 3.500 2.661 2.571 2.758 . 0 0 "[ . 1 . 2 .]" 1
1335 1 80 ALA H 1 80 ALA MB 2.500 . 2.500 2.234 2.131 2.323 . 0 0 "[ . 1 . 2 .]" 1
1336 1 81 ALA H 1 81 ALA MB 2.500 . 2.500 2.107 2.049 2.223 . 0 0 "[ . 1 . 2 .]" 1
1337 1 82 VAL H 1 82 VAL HB 2.600 . 2.600 2.562 2.406 2.618 0.018 8 0 "[ . 1 . 2 .]" 1
1338 1 83 PHE H 1 83 PHE HB2 3.500 . 3.500 2.286 2.222 2.358 . 0 0 "[ . 1 . 2 .]" 1
1339 1 83 PHE H 1 83 PHE HB3 3.800 . 3.800 3.548 3.517 3.576 . 0 0 "[ . 1 . 2 .]" 1
1340 1 84 ALA H 1 84 ALA MB 2.500 . 2.500 2.116 2.042 2.248 . 0 0 "[ . 1 . 2 .]" 1
1341 1 85 TYR H 1 85 TYR HB2 3.500 . 3.500 2.554 2.456 2.684 . 0 0 "[ . 1 . 2 .]" 1
1342 1 85 TYR H 1 85 TYR HB3 3.500 . 3.500 2.539 2.405 2.637 . 0 0 "[ . 1 . 2 .]" 1
1343 1 86 ALA H 1 86 ALA MB 2.500 . 2.500 2.130 2.020 2.239 . 0 0 "[ . 1 . 2 .]" 1
1344 1 87 LYS H 1 87 LYS QB 2.500 . 2.500 2.237 2.019 2.504 0.004 18 0 "[ . 1 . 2 .]" 1
1345 1 88 GLN H 1 88 GLN QB 2.500 . 2.500 2.340 2.081 2.446 . 0 0 "[ . 1 . 2 .]" 1
1346 1 89 HIS H 1 89 HIS HB2 3.500 . 3.500 2.610 2.550 2.654 . 0 0 "[ . 1 . 2 .]" 1
1347 1 91 ASP H 1 91 ASP QB 2.500 . 2.500 2.248 2.127 2.356 . 0 0 "[ . 1 . 2 .]" 1
1348 1 92 GLN H 1 92 GLN QB 3.500 . 3.500 2.626 2.465 3.119 . 0 0 "[ . 1 . 2 .]" 1
1349 1 94 LEU H 1 94 LEU HB3 3.500 . 3.500 2.781 2.557 2.999 . 0 0 "[ . 1 . 2 .]" 1
1350 1 96 ILE H 1 96 ILE HB 3.500 . 3.500 2.715 2.613 2.807 . 0 0 "[ . 1 . 2 .]" 1
1351 1 97 ALA H 1 97 ALA MB 3.500 . 3.500 2.322 2.159 2.445 . 0 0 "[ . 1 . 2 .]" 1
1352 1 100 ALA H 1 100 ALA MB 2.500 . 2.500 2.207 2.080 2.244 . 0 0 "[ . 1 . 2 .]" 1
1353 1 101 GLN H 1 101 GLN QB 3.500 . 3.500 2.464 2.208 2.639 . 0 0 "[ . 1 . 2 .]" 1
1354 1 102 ILE H 1 102 ILE HB 3.500 . 3.500 2.493 2.411 2.565 . 0 0 "[ . 1 . 2 .]" 1
1355 1 104 THR H 1 104 THR HB 3.500 . 3.500 2.393 2.105 2.877 . 0 0 "[ . 1 . 2 .]" 1
1356 1 105 ALA H 1 105 ALA MB 2.500 . 2.500 2.160 2.061 2.275 . 0 0 "[ . 1 . 2 .]" 1
1357 1 106 PHE H 1 106 PHE QB 3.500 . 3.500 2.455 2.374 2.504 . 0 0 "[ . 1 . 2 .]" 1
1358 1 107 LYS H 1 107 LYS QB 2.500 . 2.500 2.232 2.091 2.314 . 0 0 "[ . 1 . 2 .]" 1
1359 1 108 ASP H 1 108 ASP HB2 3.000 . 3.000 2.323 2.200 2.489 . 0 0 "[ . 1 . 2 .]" 1
1360 1 108 ASP H 1 108 ASP HB3 3.000 . 3.000 2.884 2.712 2.977 . 0 0 "[ . 1 . 2 .]" 1
1361 1 109 ASP H 1 109 ASP HB2 2.600 . 2.600 2.547 2.345 2.608 0.008 19 0 "[ . 1 . 2 .]" 1
1362 1 110 VAL H 1 110 VAL HB 2.600 . 2.600 2.576 2.469 2.630 0.030 4 0 "[ . 1 . 2 .]" 1
1363 1 112 THR H 1 112 THR HB 3.500 . 3.500 2.965 2.808 3.029 . 0 0 "[ . 1 . 2 .]" 1
1364 1 113 LEU H 1 113 LEU HB2 3.500 . 3.500 2.739 2.638 2.850 . 0 0 "[ . 1 . 2 .]" 1
1365 1 116 THR H 1 116 THR HB 3.500 . 3.500 3.384 3.286 3.438 . 0 0 "[ . 1 . 2 .]" 1
1366 1 117 ARG H 1 117 ARG QB 3.500 . 3.500 2.244 2.079 2.601 . 0 0 "[ . 1 . 2 .]" 1
1367 1 119 ALA H 1 119 ALA MB 2.500 . 2.500 2.181 2.030 2.235 . 0 0 "[ . 1 . 2 .]" 1
1368 1 121 SER H 1 121 SER QB 3.500 . 3.500 2.797 2.271 3.264 . 0 0 "[ . 1 . 2 .]" 1
1369 1 123 GLU H 1 123 GLU QB 2.500 . 2.500 2.226 2.059 2.418 . 0 0 "[ . 1 . 2 .]" 1
1370 1 125 ASP H 1 125 ASP HB3 3.500 . 3.500 3.253 2.785 3.501 0.001 11 0 "[ . 1 . 2 .]" 1
1371 1 127 LYS H 1 127 LYS HB3 3.500 . 3.500 3.250 2.743 3.513 0.013 20 0 "[ . 1 . 2 .]" 1
1372 1 127 LYS H 1 127 LYS HB2 3.500 . 3.500 2.832 2.220 3.555 0.055 3 0 "[ . 1 . 2 .]" 1
1373 1 129 ILE H 1 129 ILE HB 4.000 . 4.000 3.653 3.583 3.761 . 0 0 "[ . 1 . 2 .]" 1
1374 1 131 LEU H 1 131 LEU HB2 3.500 . 3.500 2.191 2.123 2.514 . 0 0 "[ . 1 . 2 .]" 1
1375 1 131 LEU H 1 131 LEU HB3 3.500 . 3.500 3.374 3.346 3.474 . 0 0 "[ . 1 . 2 .]" 1
1376 1 132 ASN H 1 132 ASN HB2 2.500 . 2.500 2.326 2.267 2.384 . 0 0 "[ . 1 . 2 .]" 1
1377 1 132 ASN H 1 132 ASN HB3 3.500 . 3.500 3.031 2.965 3.089 . 0 0 "[ . 1 . 2 .]" 1
1378 1 133 TRP H 1 133 TRP HB2 3.500 . 3.500 2.523 2.495 2.563 . 0 0 "[ . 1 . 2 .]" 1
1379 1 133 TRP H 1 133 TRP HB3 4.000 . 4.000 3.586 3.578 3.598 . 0 0 "[ . 1 . 2 .]" 1
1380 1 134 ASP H 1 134 ASP HB2 3.500 . 3.500 2.299 2.085 2.566 . 0 0 "[ . 1 . 2 .]" 1
1381 1 135 ASP H 1 135 ASP HB3 3.000 . 3.000 2.841 2.596 2.983 . 0 0 "[ . 1 . 2 .]" 1
1382 1 135 ASP H 1 135 ASP HB2 3.000 . 3.000 2.341 2.219 2.551 . 0 0 "[ . 1 . 2 .]" 1
1383 1 136 PHE H 1 136 PHE QB 3.500 . 3.500 2.382 2.311 2.444 . 0 0 "[ . 1 . 2 .]" 1
1384 1 137 THR H 1 137 THR HB 3.500 . 3.500 2.569 2.466 2.642 . 0 0 "[ . 1 . 2 .]" 1
1385 1 138 LYS H 1 138 LYS HB3 3.000 . 3.000 2.486 2.426 2.547 . 0 0 "[ . 1 . 2 .]" 1
1386 1 138 LYS H 1 138 LYS HB2 3.500 . 3.500 2.654 2.564 2.779 . 0 0 "[ . 1 . 2 .]" 1
1387 1 140 SER H 1 140 SER QB 3.500 . 3.500 2.939 2.782 3.316 . 0 0 "[ . 1 . 2 .]" 1
1388 1 141 SER H 1 141 SER QB 3.500 . 3.500 3.158 2.771 3.397 . 0 0 "[ . 1 . 2 .]" 1
1389 1 142 ARG H 1 142 ARG QB 3.500 . 3.500 2.714 2.648 2.756 . 0 0 "[ . 1 . 2 .]" 1
1390 1 143 THR H 1 143 THR HB 2.900 . 2.900 2.728 2.629 2.816 . 0 0 "[ . 1 . 2 .]" 1
1391 1 144 VAL H 1 144 VAL HB 3.500 . 3.500 2.820 2.685 3.261 . 0 0 "[ . 1 . 2 .]" 1
1392 1 145 GLU H 1 145 GLU QB 3.000 . 3.000 2.438 2.263 2.700 . 0 0 "[ . 1 . 2 .]" 1
1393 1 146 ASP H 1 146 ASP QB 3.500 . 3.500 2.396 2.217 2.535 . 0 0 "[ . 1 . 2 .]" 1
1394 1 147 THR H 1 147 THR HB 4.000 . 4.000 3.588 3.546 3.605 . 0 0 "[ . 1 . 2 .]" 1
1395 1 148 ASN H 1 148 ASN QB 3.500 . 3.500 2.141 2.065 2.266 . 0 0 "[ . 1 . 2 .]" 1
1396 1 150 ALA H 1 150 ALA MB 2.500 . 2.500 2.241 2.135 2.327 . 0 0 "[ . 1 . 2 .]" 1
1397 1 151 LEU H 1 151 LEU QB 3.500 . 3.500 2.337 2.303 2.396 . 0 0 "[ . 1 . 2 .]" 1
1398 1 152 THR H 1 152 THR HB 3.500 . 3.500 2.386 2.222 2.522 . 0 0 "[ . 1 . 2 .]" 1
1399 1 154 THR H 1 154 THR HB 3.500 . 3.500 2.733 2.641 2.820 . 0 0 "[ . 1 . 2 .]" 1
1400 1 155 TYR H 1 155 TYR HB2 3.500 . 3.500 2.454 2.212 2.597 . 0 0 "[ . 1 . 2 .]" 1
1401 1 157 VAL H 1 157 VAL HB 3.500 . 3.500 2.776 2.695 2.960 . 0 0 "[ . 1 . 2 .]" 1
1402 1 158 TRP H 1 158 TRP HB2 3.500 . 3.500 2.635 2.591 2.689 . 0 0 "[ . 1 . 2 .]" 1
1403 1 159 GLN H 1 159 GLN HB3 4.000 . 4.000 3.650 3.604 3.704 . 0 0 "[ . 1 . 2 .]" 1
1404 1 159 GLN H 1 159 GLN HB2 3.000 . 3.000 2.540 2.501 2.578 . 0 0 "[ . 1 . 2 .]" 1
1405 1 160 LYS H 1 160 LYS QB 3.500 . 3.500 2.177 2.121 2.257 . 0 0 "[ . 1 . 2 .]" 1
1406 1 161 LYS H 1 161 LYS QB 3.500 . 3.500 2.857 2.430 3.479 . 0 0 "[ . 1 . 2 .]" 1
1407 1 162 ALA H 1 162 ALA MB 2.500 . 2.500 2.315 2.069 2.485 . 0 0 "[ . 1 . 2 .]" 1
1408 1 9 ARG HA 1 9 ARG HB3 2.500 . 2.500 2.290 2.230 2.551 0.051 3 0 "[ . 1 . 2 .]" 1
1409 1 48 SER HA 1 48 SER QB 2.500 . 2.500 2.358 2.157 2.504 0.004 22 0 "[ . 1 . 2 .]" 1
1410 1 55 PRO HA 1 55 PRO HB3 2.500 . 2.500 2.281 2.254 2.305 . 0 0 "[ . 1 . 2 .]" 1
1411 1 56 GLU HA 1 56 GLU HB3 2.500 . 2.500 2.374 2.300 2.497 . 0 0 "[ . 1 . 2 .]" 1
1412 1 64 HIS HA 1 64 HIS HB2 2.600 . 2.600 2.543 2.389 2.622 0.022 13 0 "[ . 1 . 2 .]" 1
1413 1 67 ASP HA 1 67 ASP QB 2.500 . 2.500 2.401 2.183 2.531 0.031 12 0 "[ . 1 . 2 .]" 1
1414 1 71 GLN HA 1 71 GLN QB 2.500 . 2.500 2.417 2.362 2.492 . 0 0 "[ . 1 . 2 .]" 1
1415 1 76 VAL HA 1 76 VAL HB 2.600 . 2.600 2.460 2.428 2.499 . 0 0 "[ . 1 . 2 .]" 1
1416 1 77 HIS HA 1 77 HIS HB3 2.500 . 2.500 2.365 2.304 2.467 . 0 0 "[ . 1 . 2 .]" 1
1417 1 78 ASP HA 1 78 ASP QB 2.800 . 2.800 2.514 2.479 2.541 . 0 0 "[ . 1 . 2 .]" 1
1418 1 87 LYS HA 1 87 LYS QB 2.500 . 2.500 2.362 2.150 2.526 0.026 20 0 "[ . 1 . 2 .]" 1
1419 1 88 GLN HA 1 88 GLN QB 2.500 . 2.500 2.378 2.158 2.446 . 0 0 "[ . 1 . 2 .]" 1
1420 1 90 PRO HA 1 90 PRO HB3 2.500 . 2.500 2.291 2.284 2.299 . 0 0 "[ . 1 . 2 .]" 1
1421 1 91 ASP HA 1 91 ASP QB 2.600 . 2.600 2.459 2.160 2.541 . 0 0 "[ . 1 . 2 .]" 1
1422 1 94 LEU HA 1 94 LEU HB2 2.800 . 2.800 2.588 2.447 2.709 . 0 0 "[ . 1 . 2 .]" 1
1423 1 111 ASP HA 1 111 ASP HB2 2.600 . 2.600 2.583 2.514 2.606 0.006 14 0 "[ . 1 . 2 .]" 1
1424 1 121 SER HA 1 121 SER QB 2.500 . 2.500 2.229 2.163 2.470 . 0 0 "[ . 1 . 2 .]" 1
1425 1 130 PRO HA 1 130 PRO HB3 2.500 . 2.500 2.284 2.267 2.305 . 0 0 "[ . 1 . 2 .]" 1
1426 1 134 ASP HA 1 134 ASP QB 2.500 . 2.500 2.449 2.334 2.532 0.032 15 0 "[ . 1 . 2 .]" 1
1427 1 139 VAL HA 1 139 VAL HB 2.500 . 2.500 2.440 2.368 2.502 0.002 25 0 "[ . 1 . 2 .]" 1
1428 1 140 SER HA 1 140 SER QB 2.500 . 2.500 2.381 2.174 2.490 . 0 0 "[ . 1 . 2 .]" 1
1429 1 147 THR HA 1 147 THR HB 3.000 . 3.000 2.509 2.424 2.635 . 0 0 "[ . 1 . 2 .]" 1
1430 1 149 PRO HA 1 149 PRO QB 2.500 . 2.500 2.177 2.174 2.181 . 0 0 "[ . 1 . 2 .]" 1
1431 1 1 THR H1 1 1 THR HA 3.500 . 3.500 2.687 2.152 2.946 . 0 0 "[ . 1 . 2 .]" 1
1432 1 1 THR H1 1 1 THR HB 3.500 . 3.500 2.951 2.282 3.969 0.469 19 0 "[ . 1 . 2 .]" 1
1433 1 1 THR H1 1 1 THR MG 4.500 . 4.500 3.730 3.478 4.106 . 0 0 "[ . 1 . 2 .]" 1
1434 1 3 PHE HA 1 3 PHE QD 3.500 . 3.500 2.082 1.757 2.332 . 0 0 "[ . 1 . 2 .]" 1
1435 1 3 PHE H 1 3 PHE QD 4.500 . 4.500 3.500 3.284 3.731 . 0 0 "[ . 1 . 2 .]" 1
1436 1 3 PHE HA 1 3 PHE QE 4.500 . 4.500 4.169 4.072 4.263 . 0 0 "[ . 1 . 2 .]" 1
1437 1 4 LEU H 1 4 LEU MD2 4.500 . 4.500 3.725 1.841 4.340 . 0 0 "[ . 1 . 2 .]" 1
1438 1 4 LEU HA 1 4 LEU MD1 3.500 . 3.500 3.029 2.288 3.467 . 0 0 "[ . 1 . 2 .]" 1
1439 1 5 TRP HA 1 5 TRP HE3 4.500 . 4.500 4.231 4.106 4.413 . 0 0 "[ . 1 . 2 .]" 1
1440 1 5 TRP HA 1 5 TRP HD1 4.500 . 4.500 4.441 4.300 4.514 0.014 9 0 "[ . 1 . 2 .]" 1
1441 1 5 TRP QB 1 5 TRP HE3 3.500 . 3.500 2.751 2.645 2.837 . 0 0 "[ . 1 . 2 .]" 1
1442 1 5 TRP H 1 5 TRP HE3 4.500 . 4.500 2.569 2.334 2.815 . 0 0 "[ . 1 . 2 .]" 1
1443 1 5 TRP QB 1 5 TRP HD1 3.500 . 3.500 2.523 2.490 2.564 . 0 0 "[ . 1 . 2 .]" 1
1444 1 7 GLN HA 1 7 GLN HG3 4.500 . 4.500 3.574 3.437 3.630 . 0 0 "[ . 1 . 2 .]" 1
1445 1 7 GLN H 1 7 GLN HG2 4.500 . 4.500 2.794 2.602 3.202 . 0 0 "[ . 1 . 2 .]" 1
1446 1 9 ARG HB3 1 9 ARG HE 4.500 . 4.500 3.494 2.197 4.505 0.005 22 0 "[ . 1 . 2 .]" 1
1447 1 9 ARG HA 1 9 ARG HE 5.500 . 5.500 5.280 4.561 5.511 0.011 3 0 "[ . 1 . 2 .]" 1
1448 1 9 ARG HB2 1 9 ARG QD 3.500 . 3.500 2.243 1.905 3.491 . 0 0 "[ . 1 . 2 .]" 1
1449 1 9 ARG H 1 9 ARG HE 4.500 . 4.500 4.273 2.810 4.513 0.013 9 0 "[ . 1 . 2 .]" 1
1450 1 9 ARG HB3 1 9 ARG QD 3.000 . 3.000 2.837 2.367 3.080 0.080 22 0 "[ . 1 . 2 .]" 1
1451 1 9 ARG QD 1 9 ARG QG 2.500 . 2.500 2.017 1.943 2.054 . 0 0 "[ . 1 . 2 .]" 1
1452 1 9 ARG H 1 9 ARG QG 3.500 . 3.500 1.788 1.470 3.473 . 0 0 "[ . 1 . 2 .]" 1
1453 1 9 ARG HA 1 9 ARG QD 4.500 . 4.500 4.230 3.576 4.547 0.047 5 0 "[ . 1 . 2 .]" 1
1454 1 9 ARG HA 1 9 ARG QG 3.500 . 3.500 3.133 2.822 3.424 . 0 0 "[ . 1 . 2 .]" 1
1455 1 9 ARG HE 1 9 ARG QG 3.500 . 3.500 2.286 2.057 3.308 . 0 0 "[ . 1 . 2 .]" 1
1456 1 9 ARG H 1 9 ARG QD 3.500 . 3.500 3.195 1.796 3.575 0.075 5 0 "[ . 1 . 2 .]" 1
1457 1 9 ARG HB2 1 9 ARG HE 4.500 . 4.500 3.880 2.897 4.295 . 0 0 "[ . 1 . 2 .]" 1
1458 1 12 LEU HA 1 12 LEU HG 4.500 . 4.500 2.751 2.109 3.663 . 0 0 "[ . 1 . 2 .]" 1
1459 1 12 LEU H 1 12 LEU MD1 5.500 . 5.500 3.917 2.877 4.545 . 0 0 "[ . 1 . 2 .]" 1
1460 1 12 LEU H 1 12 LEU HG 4.500 . 4.500 3.757 2.042 4.499 . 0 0 "[ . 1 . 2 .]" 1
1461 1 13 ILE HA 1 13 ILE MG 3.500 . 3.500 2.127 1.962 2.321 . 0 0 "[ . 1 . 2 .]" 1
1462 1 13 ILE H 1 13 ILE MD 3.600 . 3.600 3.384 1.850 3.622 0.022 9 0 "[ . 1 . 2 .]" 1
1463 1 13 ILE HA 1 13 ILE MD 4.500 . 4.500 4.034 3.453 4.171 . 0 0 "[ . 1 . 2 .]" 1
1464 1 13 ILE HB 1 13 ILE MD 3.500 . 3.500 2.284 2.006 3.217 . 0 0 "[ . 1 . 2 .]" 1
1465 1 29 TYR HB3 1 29 TYR QD 3.500 . 3.500 2.309 2.277 2.396 . 0 0 "[ . 1 . 2 .]" 1
1466 1 29 TYR HA 1 29 TYR QE 4.500 . 4.500 4.452 4.155 4.515 0.015 6 0 "[ . 1 . 2 .]" 1
1467 1 29 TYR HB2 1 29 TYR QD 3.500 . 3.500 2.592 2.393 2.765 . 0 0 "[ . 1 . 2 .]" 1
1468 1 29 TYR HA 1 29 TYR QD 3.500 . 3.500 2.444 1.986 2.915 . 0 0 "[ . 1 . 2 .]" 1
1469 1 33 GLN HA 1 33 GLN HE22 5.500 . 5.500 4.614 3.313 5.550 0.050 22 0 "[ . 1 . 2 .]" 1
1470 1 33 GLN H 1 33 GLN HG3 3.500 . 3.500 3.429 2.950 3.517 0.017 25 0 "[ . 1 . 2 .]" 1
1471 1 34 THR H 1 34 THR MG 3.500 . 3.500 2.869 1.914 3.513 0.013 25 0 "[ . 1 . 2 .]" 1
1472 1 34 THR HA 1 34 THR MG 3.500 . 3.500 2.613 2.089 3.226 . 0 0 "[ . 1 . 2 .]" 1
1473 1 35 VAL HA 1 35 VAL QG 2.500 . 2.500 2.298 2.104 2.504 0.004 19 0 "[ . 1 . 2 .]" 1
1474 1 37 LYS HA 1 37 LYS QG 3.500 . 3.500 2.534 2.132 2.911 . 0 0 "[ . 1 . 2 .]" 1
1475 1 37 LYS H 1 37 LYS QG 3.500 . 3.500 3.124 2.416 3.515 0.015 16 0 "[ . 1 . 2 .]" 1
1476 1 37 LYS QE 1 37 LYS QG 3.500 . 3.500 2.137 1.961 2.355 . 0 0 "[ . 1 . 2 .]" 1
1477 1 38 ILE HB 1 38 ILE MD 3.500 . 3.500 2.375 2.265 2.500 . 0 0 "[ . 1 . 2 .]" 1
1478 1 38 ILE HA 1 38 ILE MD 4.500 . 4.500 3.866 3.804 3.916 . 0 0 "[ . 1 . 2 .]" 1
1479 1 38 ILE H 1 38 ILE MG 4.500 . 4.500 3.792 3.733 3.825 . 0 0 "[ . 1 . 2 .]" 1
1480 1 38 ILE HA 1 38 ILE MG 3.500 . 3.500 2.340 2.286 2.459 . 0 0 "[ . 1 . 2 .]" 1
1481 1 39 MET H 1 39 MET ME 4.500 . 4.500 3.734 3.451 4.142 . 0 0 "[ . 1 . 2 .]" 1
1482 1 40 VAL HA 1 40 VAL MG1 3.500 . 3.500 2.255 2.165 2.378 . 0 0 "[ . 1 . 2 .]" 1
1483 1 40 VAL H 1 40 VAL MG1 4.500 . 4.500 3.803 3.782 3.827 . 0 0 "[ . 1 . 2 .]" 1
1484 1 40 VAL HA 1 40 VAL MG2 3.500 . 3.500 2.479 2.313 2.629 . 0 0 "[ . 1 . 2 .]" 1
1485 1 40 VAL H 1 40 VAL MG2 3.500 . 3.500 2.073 1.888 2.281 . 0 0 "[ . 1 . 2 .]" 1
1486 1 41 VAL H 1 41 VAL MG2 3.500 . 3.500 2.473 2.091 2.699 . 0 0 "[ . 1 . 2 .]" 1
1487 1 41 VAL HA 1 41 VAL MG1 3.500 . 3.500 2.339 2.257 2.436 . 0 0 "[ . 1 . 2 .]" 1
1488 1 41 VAL H 1 41 VAL MG1 3.500 . 3.500 3.095 2.827 3.366 . 0 0 "[ . 1 . 2 .]" 1
1489 1 41 VAL HA 1 41 VAL MG2 3.500 . 3.500 3.204 3.191 3.212 . 0 0 "[ . 1 . 2 .]" 1
1490 1 43 ARG QB 1 43 ARG HE 4.500 . 4.500 1.977 1.594 3.001 . 0 0 "[ . 1 . 2 .]" 1
1491 1 43 ARG H 1 43 ARG QD 4.500 . 4.500 3.702 1.836 3.999 . 0 0 "[ . 1 . 2 .]" 1
1492 1 44 ARG HA 1 44 ARG QD 3.500 . 3.500 2.566 1.888 3.412 . 0 0 "[ . 1 . 2 .]" 1
1493 1 44 ARG HA 1 44 ARG QG 3.500 . 3.500 2.679 2.205 3.081 . 0 0 "[ . 1 . 2 .]" 1
1494 1 45 THR H 1 45 THR MG 4.500 . 4.500 3.738 3.697 3.763 . 0 0 "[ . 1 . 2 .]" 1
1495 1 45 THR HA 1 45 THR MG 3.500 . 3.500 2.338 2.140 2.431 . 0 0 "[ . 1 . 2 .]" 1
1496 1 46 TYR HA 1 46 TYR QD 3.500 . 3.500 2.375 1.923 2.804 . 0 0 "[ . 1 . 2 .]" 1
1497 1 46 TYR H 1 46 TYR QD 4.500 . 4.500 4.052 3.909 4.204 . 0 0 "[ . 1 . 2 .]" 1
1498 1 47 GLU HA 1 47 GLU QG 3.500 . 3.500 2.222 2.000 2.659 . 0 0 "[ . 1 . 2 .]" 1
1499 1 47 GLU H 1 47 GLU QG 3.500 . 3.500 3.090 2.417 3.498 . 0 0 "[ . 1 . 2 .]" 1
1500 1 51 LYS QE 1 51 LYS QG 3.500 . 3.500 2.404 2.163 2.880 . 0 0 "[ . 1 . 2 .]" 1
1501 1 51 LYS HB2 1 51 LYS QE 3.500 . 3.500 2.206 1.783 3.502 0.002 3 0 "[ . 1 . 2 .]" 1
1502 1 51 LYS H 1 51 LYS QE 4.600 . 4.600 4.508 3.895 4.632 0.032 5 0 "[ . 1 . 2 .]" 1
1503 1 51 LYS H 1 51 LYS QG 4.500 . 4.500 4.213 4.112 4.328 . 0 0 "[ . 1 . 2 .]" 1
1504 1 51 LYS QB 1 51 LYS QG 2.500 . 2.500 2.043 2.007 2.083 . 0 0 "[ . 1 . 2 .]" 1
1505 1 51 LYS HA 1 51 LYS QG 3.500 . 3.500 2.296 2.048 2.605 . 0 0 "[ . 1 . 2 .]" 1
1506 1 52 ARG QB 1 52 ARG HE 4.500 . 4.500 2.570 1.888 3.894 . 0 0 "[ . 1 . 2 .]" 1
1507 1 52 ARG HA 1 52 ARG HE 4.500 . 4.500 4.295 3.746 4.525 0.025 6 0 "[ . 1 . 2 .]" 1
1508 1 52 ARG H 1 52 ARG QG 3.500 . 3.500 2.543 1.926 3.453 . 0 0 "[ . 1 . 2 .]" 1
1509 1 54 LEU H 1 54 LEU MD2 4.500 . 4.500 3.734 3.214 4.125 . 0 0 "[ . 1 . 2 .]" 1
1510 1 54 LEU H 1 54 LEU HG 3.500 . 3.500 2.715 2.249 3.194 . 0 0 "[ . 1 . 2 .]" 1
1511 1 54 LEU HA 1 54 LEU MD2 3.500 . 3.500 2.069 1.836 2.384 . 0 0 "[ . 1 . 2 .]" 1
1512 1 54 LEU HA 1 54 LEU HG 3.500 . 3.500 2.943 2.549 3.211 . 0 0 "[ . 1 . 2 .]" 1
1513 1 54 LEU H 1 54 LEU MD1 4.500 . 4.500 3.728 3.374 4.014 . 0 0 "[ . 1 . 2 .]" 1
1514 1 55 PRO HD3 1 55 PRO QG 2.500 . 2.500 2.238 2.218 2.255 . 0 0 "[ . 1 . 2 .]" 1
1515 1 55 PRO HB3 1 55 PRO HD3 3.500 . 3.500 2.978 2.934 3.073 . 0 0 "[ . 1 . 2 .]" 1
1516 1 56 GLU H 1 56 GLU QG 3.500 . 3.500 2.520 1.908 2.889 . 0 0 "[ . 1 . 2 .]" 1
1517 1 56 GLU HA 1 56 GLU HG2 3.500 . 3.500 2.850 2.380 3.194 . 0 0 "[ . 1 . 2 .]" 1
1518 1 56 GLU HA 1 56 GLU QG 3.500 . 3.500 2.668 2.332 2.946 . 0 0 "[ . 1 . 2 .]" 1
1519 1 57 ARG H 1 57 ARG QG 4.500 . 4.500 2.538 1.994 3.529 . 0 0 "[ . 1 . 2 .]" 1
1520 1 58 THR HA 1 58 THR MG 2.500 . 2.500 2.433 2.280 2.528 0.028 5 0 "[ . 1 . 2 .]" 1
1521 1 58 THR H 1 58 THR MG 4.500 . 4.500 3.752 3.726 3.780 . 0 0 "[ . 1 . 2 .]" 1
1522 1 59 ASN H 1 59 ASN HD21 4.500 . 4.500 2.495 2.021 3.254 . 0 0 "[ . 1 . 2 .]" 1
1523 1 59 ASN H 1 59 ASN HD22 4.500 . 4.500 4.059 3.692 4.407 . 0 0 "[ . 1 . 2 .]" 1
1524 1 59 ASN HA 1 59 ASN HD21 4.500 . 4.500 2.849 1.964 3.328 . 0 0 "[ . 1 . 2 .]" 1
1525 1 60 VAL HA 1 60 VAL MG1 2.500 . 2.500 2.264 2.164 2.354 . 0 0 "[ . 1 . 2 .]" 1
1526 1 60 VAL HA 1 60 VAL MG2 3.500 . 3.500 2.477 2.392 2.560 . 0 0 "[ . 1 . 2 .]" 1
1527 1 60 VAL H 1 60 VAL MG1 4.500 . 4.500 3.939 3.888 3.987 . 0 0 "[ . 1 . 2 .]" 1
1528 1 60 VAL H 1 60 VAL MG2 3.500 . 3.500 2.693 2.445 2.862 . 0 0 "[ . 1 . 2 .]" 1
1529 1 61 VAL H 1 61 VAL MG2 3.500 . 3.500 2.688 2.530 2.807 . 0 0 "[ . 1 . 2 .]" 1
1530 1 61 VAL HA 1 61 VAL MG2 3.500 . 3.500 2.293 2.194 2.449 . 0 0 "[ . 1 . 2 .]" 1
1531 1 61 VAL H 1 61 VAL MG1 4.500 . 4.500 3.812 3.764 3.851 . 0 0 "[ . 1 . 2 .]" 1
1532 1 61 VAL HA 1 61 VAL MG1 3.500 . 3.500 2.372 2.303 2.444 . 0 0 "[ . 1 . 2 .]" 1
1533 1 62 LEU HA 1 62 LEU QD 3.500 . 3.500 2.843 2.465 2.944 . 0 0 "[ . 1 . 2 .]" 1
1534 1 62 LEU H 1 62 LEU HG 4.500 . 4.500 4.349 3.495 4.532 0.032 19 0 "[ . 1 . 2 .]" 1
1535 1 62 LEU HA 1 62 LEU HG 3.500 . 3.500 2.195 2.082 2.515 . 0 0 "[ . 1 . 2 .]" 1
1536 1 62 LEU H 1 62 LEU QD 4.500 . 4.500 3.681 3.276 3.828 . 0 0 "[ . 1 . 2 .]" 1
1537 1 63 THR HA 1 63 THR MG 3.500 . 3.500 3.194 3.135 3.219 . 0 0 "[ . 1 . 2 .]" 1
1538 1 63 THR H 1 63 THR MG 3.500 . 3.500 2.193 2.025 2.509 . 0 0 "[ . 1 . 2 .]" 1
1539 1 64 HIS HB2 1 64 HIS HD2 3.500 . 3.500 3.123 2.755 3.394 . 0 0 "[ . 1 . 2 .]" 1
1540 1 64 HIS QB 1 64 HIS HD2 3.500 . 3.500 3.003 2.698 3.198 . 0 0 "[ . 1 . 2 .]" 1
1541 1 64 HIS HA 1 64 HIS HD2 3.500 . 3.500 2.676 2.275 3.462 . 0 0 "[ . 1 . 2 .]" 1
1542 1 65 GLN H 1 65 GLN QG 4.500 . 4.500 3.947 3.735 4.058 . 0 0 "[ . 1 . 2 .]" 1
1543 1 65 GLN HA 1 65 GLN HE21 4.500 . 4.500 3.390 1.939 4.527 0.027 24 0 "[ . 1 . 2 .]" 1
1544 1 65 GLN HE22 1 65 GLN QG 3.500 . 3.500 3.404 3.315 3.470 . 0 0 "[ . 1 . 2 .]" 1
1545 1 65 GLN H 1 65 GLN QE 4.500 . 4.500 4.378 4.123 4.514 0.014 2 0 "[ . 1 . 2 .]" 1
1546 1 66 GLU H 1 66 GLU QG 3.500 . 3.500 3.019 2.522 3.500 . 25 0 "[ . 1 . 2 .]" 1
1547 1 66 GLU HA 1 66 GLU QG 3.500 . 3.500 2.229 2.022 2.450 . 0 0 "[ . 1 . 2 .]" 1
1548 1 68 TYR H 1 68 TYR QD 4.500 . 4.500 4.120 4.062 4.156 . 0 0 "[ . 1 . 2 .]" 1
1549 1 68 TYR HA 1 68 TYR QD 3.500 . 3.500 3.089 3.061 3.121 . 0 0 "[ . 1 . 2 .]" 1
1550 1 69 GLN HA 1 69 GLN QG 3.500 . 3.500 2.407 2.268 3.032 . 0 0 "[ . 1 . 2 .]" 1
1551 1 69 GLN HE22 1 69 GLN QG 3.500 . 3.500 3.365 3.290 3.427 . 0 0 "[ . 1 . 2 .]" 1
1552 1 69 GLN H 1 69 GLN QG 4.500 . 4.500 3.211 3.150 3.387 . 0 0 "[ . 1 . 2 .]" 1
1553 1 69 GLN HA 1 69 GLN HE21 4.500 . 4.500 2.920 1.981 3.988 . 0 0 "[ . 1 . 2 .]" 1
1554 1 69 GLN HA 1 69 GLN HE22 4.500 . 4.500 4.282 2.859 4.525 0.025 2 0 "[ . 1 . 2 .]" 1
1555 1 69 GLN HB2 1 69 GLN QG 2.500 . 2.500 2.157 2.134 2.162 . 0 0 "[ . 1 . 2 .]" 1
1556 1 69 GLN QB 1 69 GLN HE22 4.500 . 4.500 3.400 3.163 3.941 . 0 0 "[ . 1 . 2 .]" 1
1557 1 71 GLN QB 1 71 GLN QG 2.500 . 2.500 2.044 2.003 2.086 . 0 0 "[ . 1 . 2 .]" 1
1558 1 71 GLN H 1 71 GLN QG 3.500 . 3.500 2.780 2.273 3.514 0.014 17 0 "[ . 1 . 2 .]" 1
1559 1 71 GLN HA 1 71 GLN QG 2.500 . 2.500 2.330 2.111 2.509 0.009 11 0 "[ . 1 . 2 .]" 1
1560 1 74 VAL HA 1 74 VAL MG1 3.500 . 3.500 2.284 2.194 2.358 . 0 0 "[ . 1 . 2 .]" 1
1561 1 74 VAL HA 1 74 VAL MG2 3.500 . 3.500 2.495 2.416 2.562 . 0 0 "[ . 1 . 2 .]" 1
1562 1 74 VAL H 1 74 VAL QG 3.500 . 3.500 2.258 2.082 2.433 . 0 0 "[ . 1 . 2 .]" 1
1563 1 75 VAL HA 1 75 VAL MG1 2.500 . 2.500 2.262 2.182 2.351 . 0 0 "[ . 1 . 2 .]" 1
1564 1 75 VAL H 1 75 VAL QG 3.500 . 3.500 2.474 2.285 2.582 . 0 0 "[ . 1 . 2 .]" 1
1565 1 75 VAL HA 1 75 VAL MG2 2.600 . 2.600 2.445 2.382 2.505 . 0 0 "[ . 1 . 2 .]" 1
1566 1 76 VAL H 1 76 VAL MG1 3.500 . 3.500 2.901 2.676 3.105 . 0 0 "[ . 1 . 2 .]" 1
1567 1 76 VAL H 1 76 VAL MG2 3.500 . 3.500 2.060 1.931 2.213 . 0 0 "[ . 1 . 2 .]" 1
1568 1 76 VAL HA 1 76 VAL MG1 2.500 . 2.500 2.362 2.209 2.448 . 0 0 "[ . 1 . 2 .]" 1
1569 1 76 VAL HA 1 76 VAL MG2 3.500 . 3.500 3.197 3.187 3.204 . 0 0 "[ . 1 . 2 .]" 1
1570 1 77 HIS QB 1 77 HIS HD2 3.500 . 3.500 3.057 2.750 3.268 . 0 0 "[ . 1 . 2 .]" 1
1571 1 79 VAL HA 1 79 VAL QG 2.500 . 2.500 2.042 2.007 2.066 . 0 0 "[ . 1 . 2 .]" 1
1572 1 79 VAL H 1 79 VAL QG 3.500 . 3.500 2.086 1.951 2.226 . 0 0 "[ . 1 . 2 .]" 1
1573 1 82 VAL HA 1 82 VAL MG2 2.500 . 2.500 2.382 2.229 2.483 . 0 0 "[ . 1 . 2 .]" 1
1574 1 82 VAL HA 1 82 VAL MG1 2.500 . 2.500 2.385 2.293 2.504 0.004 16 0 "[ . 1 . 2 .]" 1
1575 1 82 VAL H 1 82 VAL MG1 4.500 . 4.500 3.758 3.737 3.769 . 0 0 "[ . 1 . 2 .]" 1
1576 1 82 VAL H 1 82 VAL MG2 2.500 . 2.500 2.244 2.123 2.491 . 0 0 "[ . 1 . 2 .]" 1
1577 1 83 PHE H 1 83 PHE QD 3.500 . 3.500 3.344 3.222 3.428 . 0 0 "[ . 1 . 2 .]" 1
1578 1 83 PHE HA 1 83 PHE QD 2.500 . 2.500 1.985 1.876 2.111 . 0 0 "[ . 1 . 2 .]" 1
1579 1 85 TYR HA 1 85 TYR QD 3.500 . 3.500 2.820 2.647 3.063 . 0 0 "[ . 1 . 2 .]" 1
1580 1 85 TYR H 1 85 TYR QD 4.500 . 4.500 4.202 4.168 4.217 . 0 0 "[ . 1 . 2 .]" 1
1581 1 87 LYS H 1 87 LYS QE 4.500 . 4.500 4.282 3.320 4.536 0.036 15 0 "[ . 1 . 2 .]" 1
1582 1 87 LYS H 1 87 LYS QG 3.500 . 3.500 2.889 2.369 3.526 0.026 14 0 "[ . 1 . 2 .]" 1
1583 1 87 LYS HA 1 87 LYS QG 3.500 . 3.500 2.882 2.407 3.480 . 0 0 "[ . 1 . 2 .]" 1
1584 1 87 LYS QE 1 87 LYS HG3 3.500 . 3.500 2.827 1.986 3.501 0.001 3 0 "[ . 1 . 2 .]" 1
1585 1 87 LYS QB 1 87 LYS QE 3.500 . 3.500 2.831 1.799 3.514 0.014 11 0 "[ . 1 . 2 .]" 1
1586 1 88 GLN QB 1 88 GLN HE22 3.500 . 3.500 3.252 3.131 3.408 . 0 0 "[ . 1 . 2 .]" 1
1587 1 88 GLN HA 1 88 GLN HE21 4.500 . 4.500 4.380 4.110 4.521 0.021 8 0 "[ . 1 . 2 .]" 1
1588 1 88 GLN H 1 88 GLN QG 3.500 . 3.500 2.791 2.436 3.516 0.016 8 0 "[ . 1 . 2 .]" 1
1589 1 88 GLN HA 1 88 GLN QG 3.500 . 3.500 2.457 2.238 3.057 . 0 0 "[ . 1 . 2 .]" 1
1590 1 88 GLN HA 1 88 GLN QE 5.500 . 5.500 4.239 4.008 4.388 . 0 0 "[ . 1 . 2 .]" 1
1591 1 89 HIS H 1 89 HIS HD2 4.500 . 4.500 3.223 2.950 3.560 . 0 0 "[ . 1 . 2 .]" 1
1592 1 89 HIS HA 1 89 HIS HD2 4.500 . 4.500 3.994 3.733 4.403 . 0 0 "[ . 1 . 2 .]" 1
1593 1 90 PRO HA 1 90 PRO QD 3.500 . 3.500 3.354 3.306 3.402 . 0 0 "[ . 1 . 2 .]" 1
1594 1 90 PRO QB 1 90 PRO QD 3.500 . 3.500 2.750 2.737 2.766 . 0 0 "[ . 1 . 2 .]" 1
1595 1 92 GLN HA 1 92 GLN QG 3.500 . 3.500 2.615 2.387 3.191 . 0 0 "[ . 1 . 2 .]" 1
1596 1 92 GLN H 1 92 GLN HE21 5.500 . 5.500 5.088 4.590 5.395 . 0 0 "[ . 1 . 2 .]" 1
1597 1 92 GLN H 1 92 GLN QG 3.500 . 3.500 2.451 1.888 2.740 . 0 0 "[ . 1 . 2 .]" 1
1598 1 92 GLN H 1 92 GLN HG2 3.500 . 3.500 2.957 1.981 3.507 0.007 21 0 "[ . 1 . 2 .]" 1
1599 1 94 LEU H 1 94 LEU QD 4.500 . 4.500 3.786 3.585 3.896 . 0 0 "[ . 1 . 2 .]" 1
1600 1 94 LEU HA 1 94 LEU QD 3.500 . 3.500 2.137 1.830 2.961 . 0 0 "[ . 1 . 2 .]" 1
1601 1 94 LEU HB2 1 94 LEU QD 2.500 . 2.500 2.116 1.929 2.247 . 0 0 "[ . 1 . 2 .]" 1
1602 1 96 ILE HB 1 96 ILE MD 3.500 . 3.500 3.221 3.210 3.230 . 0 0 "[ . 1 . 2 .]" 1
1603 1 96 ILE MD 1 96 ILE MG 3.500 . 3.500 2.138 1.814 2.315 . 0 0 "[ . 1 . 2 .]" 1
1604 1 96 ILE H 1 96 ILE HG13 4.500 . 4.500 3.585 3.506 3.668 . 0 0 "[ . 1 . 2 .]" 1
1605 1 96 ILE H 1 96 ILE MD 3.500 . 3.500 2.717 2.428 2.992 . 0 0 "[ . 1 . 2 .]" 1
1606 1 96 ILE H 1 96 ILE MG 4.500 . 4.500 3.775 3.752 3.790 . 0 0 "[ . 1 . 2 .]" 1
1607 1 96 ILE H 1 96 ILE HG12 3.500 . 3.500 2.030 1.942 2.136 . 0 0 "[ . 1 . 2 .]" 1
1608 1 96 ILE HA 1 96 ILE MD 3.500 . 3.500 2.079 1.925 2.312 . 0 0 "[ . 1 . 2 .]" 1
1609 1 96 ILE HA 1 96 ILE MG 3.500 . 3.500 2.236 2.070 2.365 . 0 0 "[ . 1 . 2 .]" 1
1610 1 101 GLN HA 1 101 GLN QG 3.500 . 3.500 3.235 2.471 3.417 . 0 0 "[ . 1 . 2 .]" 1
1611 1 101 GLN H 1 101 GLN QG 4.500 . 4.500 2.517 1.932 3.988 . 0 0 "[ . 1 . 2 .]" 1
1612 1 102 ILE HA 1 102 ILE MG 3.500 . 3.500 2.372 2.267 2.475 . 0 0 "[ . 1 . 2 .]" 1
1613 1 102 ILE H 1 102 ILE MD 4.500 . 4.500 3.397 3.131 3.633 . 0 0 "[ . 1 . 2 .]" 1
1614 1 102 ILE H 1 102 ILE QG 3.500 . 3.500 2.226 2.086 2.434 . 0 0 "[ . 1 . 2 .]" 1
1615 1 102 ILE HA 1 102 ILE MD 2.500 . 2.500 2.133 1.973 2.336 . 0 0 "[ . 1 . 2 .]" 1
1616 1 102 ILE HB 1 102 ILE MD 3.500 . 3.500 3.221 3.213 3.230 . 0 0 "[ . 1 . 2 .]" 1
1617 1 102 ILE H 1 102 ILE MG 4.500 . 4.500 3.770 3.751 3.784 . 0 0 "[ . 1 . 2 .]" 1
1618 1 103 PHE HA 1 103 PHE QD 2.500 . 2.500 1.854 1.796 1.942 . 0 0 "[ . 1 . 2 .]" 1
1619 1 103 PHE H 1 103 PHE QD 3.500 . 3.500 3.451 3.372 3.512 0.012 3 0 "[ . 1 . 2 .]" 1
1620 1 104 THR HB 1 104 THR MG 2.500 . 2.500 2.093 2.069 2.120 . 0 0 "[ . 1 . 2 .]" 1
1621 1 104 THR HA 1 104 THR MG 3.500 . 3.500 3.204 3.115 3.218 . 0 0 "[ . 1 . 2 .]" 1
1622 1 104 THR H 1 104 THR MG 3.500 . 3.500 2.356 1.918 2.967 . 0 0 "[ . 1 . 2 .]" 1
1623 1 106 PHE HA 1 106 PHE QD 3.500 . 3.500 3.178 3.136 3.217 . 0 0 "[ . 1 . 2 .]" 1
1624 1 107 LYS H 1 107 LYS QG 3.500 . 3.500 2.696 2.475 3.221 . 0 0 "[ . 1 . 2 .]" 1
1625 1 107 LYS HA 1 107 LYS QG 3.500 . 3.500 3.308 3.234 3.337 . 0 0 "[ . 1 . 2 .]" 1
1626 1 107 LYS H 1 107 LYS HG2 3.500 . 3.500 2.748 2.509 3.315 . 0 0 "[ . 1 . 2 .]" 1
1627 1 110 VAL H 1 110 VAL MG2 3.500 . 3.500 2.141 2.022 2.368 . 0 0 "[ . 1 . 2 .]" 1
1628 1 110 VAL H 1 110 VAL MG1 4.500 . 4.500 3.764 3.741 3.784 . 0 0 "[ . 1 . 2 .]" 1
1629 1 110 VAL HA 1 110 VAL MG1 3.500 . 3.500 2.395 2.292 2.501 . 0 0 "[ . 1 . 2 .]" 1
1630 1 112 THR HA 1 112 THR MG 3.500 . 3.500 2.528 2.436 2.595 . 0 0 "[ . 1 . 2 .]" 1
1631 1 112 THR HB 1 112 THR MG 2.500 . 2.500 2.098 2.070 2.118 . 0 0 "[ . 1 . 2 .]" 1
1632 1 112 THR H 1 112 THR MG 4.500 . 4.500 3.959 3.912 4.000 . 0 0 "[ . 1 . 2 .]" 1
1633 1 113 LEU HB3 1 113 LEU MD1 3.500 . 3.500 2.527 2.375 2.611 . 0 0 "[ . 1 . 2 .]" 1
1634 1 113 LEU HB2 1 113 LEU MD1 3.500 . 3.500 2.187 2.065 2.304 . 0 0 "[ . 1 . 2 .]" 1
1635 1 113 LEU HA 1 113 LEU HG 4.500 . 4.500 3.045 2.921 3.221 . 0 0 "[ . 1 . 2 .]" 1
1636 1 113 LEU H 1 113 LEU HG 3.500 . 3.500 2.736 2.599 2.951 . 0 0 "[ . 1 . 2 .]" 1
1637 1 113 LEU H 1 113 LEU MD1 4.500 . 4.500 3.716 3.580 3.924 . 0 0 "[ . 1 . 2 .]" 1
1638 1 113 LEU HB3 1 113 LEU MD2 3.500 . 3.500 2.255 2.192 2.341 . 0 0 "[ . 1 . 2 .]" 1
1639 1 113 LEU HA 1 113 LEU MD1 4.500 . 4.500 3.952 3.905 3.982 . 0 0 "[ . 1 . 2 .]" 1
1640 1 113 LEU HA 1 113 LEU MD2 3.500 . 3.500 2.279 2.105 2.416 . 0 0 "[ . 1 . 2 .]" 1
1641 1 113 LEU H 1 113 LEU MD2 4.500 . 4.500 3.874 3.616 4.027 . 0 0 "[ . 1 . 2 .]" 1
1642 1 113 LEU HB2 1 113 LEU MD2 3.500 . 3.500 3.162 3.134 3.187 . 0 0 "[ . 1 . 2 .]" 1
1643 1 114 LEU HB3 1 114 LEU MD1 3.500 . 3.500 2.487 2.366 2.636 . 0 0 "[ . 1 . 2 .]" 1
1644 1 114 LEU H 1 114 LEU MD1 4.500 . 4.500 3.942 3.690 4.144 . 0 0 "[ . 1 . 2 .]" 1
1645 1 114 LEU HA 1 114 LEU MD2 2.500 . 2.500 2.309 1.978 2.507 0.007 15 0 "[ . 1 . 2 .]" 1
1646 1 114 LEU HB3 1 114 LEU MD2 3.500 . 3.500 2.246 2.126 2.421 . 0 0 "[ . 1 . 2 .]" 1
1647 1 114 LEU HB2 1 114 LEU MD2 3.500 . 3.500 3.172 3.146 3.187 . 0 0 "[ . 1 . 2 .]" 1
1648 1 114 LEU H 1 114 LEU MD2 4.500 . 4.500 3.738 3.577 3.969 . 0 0 "[ . 1 . 2 .]" 1
1649 1 114 LEU HB2 1 114 LEU MD1 3.500 . 3.500 2.209 2.056 2.321 . 0 0 "[ . 1 . 2 .]" 1
1650 1 114 LEU HA 1 114 LEU MD1 4.500 . 4.500 3.973 3.911 4.014 . 0 0 "[ . 1 . 2 .]" 1
1651 1 115 VAL HA 1 115 VAL MG2 3.500 . 3.500 3.173 3.157 3.189 . 0 0 "[ . 1 . 2 .]" 1
1652 1 115 VAL HA 1 115 VAL MG1 3.500 . 3.500 2.517 2.439 2.583 . 0 0 "[ . 1 . 2 .]" 1
1653 1 115 VAL H 1 115 VAL MG1 3.500 . 3.500 2.664 2.552 2.758 . 0 0 "[ . 1 . 2 .]" 1
1654 1 116 THR HA 1 116 THR MG 3.500 . 3.500 2.068 1.971 2.216 . 0 0 "[ . 1 . 2 .]" 1
1655 1 116 THR H 1 116 THR MG 3.600 . 3.600 3.583 3.464 3.631 0.031 18 0 "[ . 1 . 2 .]" 1
1656 1 117 ARG QB 1 117 ARG QD 3.500 . 3.500 2.120 1.916 2.548 . 0 0 "[ . 1 . 2 .]" 1
1657 1 118 LEU H 1 118 LEU MD2 5.500 . 5.500 4.188 3.892 4.462 . 0 0 "[ . 1 . 2 .]" 1
1658 1 118 LEU H 1 118 LEU MD1 4.500 . 4.500 2.825 1.937 4.076 . 0 0 "[ . 1 . 2 .]" 1
1659 1 123 GLU HA 1 123 GLU QG 3.500 . 3.500 2.176 2.002 2.270 . 0 0 "[ . 1 . 2 .]" 1
1660 1 123 GLU H 1 123 GLU QG 3.500 . 3.500 3.420 2.956 3.510 0.010 24 0 "[ . 1 . 2 .]" 1
1661 1 126 THR HA 1 126 THR MG 2.500 . 2.500 2.302 2.110 2.465 . 0 0 "[ . 1 . 2 .]" 1
1662 1 126 THR H 1 126 THR MG 4.500 . 4.500 3.938 3.822 4.071 . 0 0 "[ . 1 . 2 .]" 1
1663 1 127 LYS QB 1 127 LYS QE 4.500 . 4.500 2.999 1.958 3.748 . 0 0 "[ . 1 . 2 .]" 1
1664 1 127 LYS QB 1 127 LYS QD 3.500 . 3.500 2.124 1.919 2.604 . 0 0 "[ . 1 . 2 .]" 1
1665 1 128 MET HA 1 128 MET ME 4.500 . 4.500 3.925 3.780 4.113 . 0 0 "[ . 1 . 2 .]" 1
1666 1 129 ILE H 1 129 ILE MG 3.500 . 3.500 2.547 2.174 2.936 . 0 0 "[ . 1 . 2 .]" 1
1667 1 129 ILE HB 1 129 ILE MD 3.500 . 3.500 2.062 1.992 2.214 . 0 0 "[ . 1 . 2 .]" 1
1668 1 129 ILE H 1 129 ILE QG 3.500 . 3.500 1.969 1.825 2.165 . 0 0 "[ . 1 . 2 .]" 1
1669 1 129 ILE HB 1 129 ILE MG 2.500 . 2.500 2.116 2.092 2.127 . 0 0 "[ . 1 . 2 .]" 1
1670 1 129 ILE MD 1 129 ILE MG 3.000 . 3.000 2.852 2.509 3.019 0.019 25 0 "[ . 1 . 2 .]" 1
1671 1 129 ILE HA 1 129 ILE MG 3.500 . 3.500 2.348 2.248 2.396 . 0 0 "[ . 1 . 2 .]" 1
1672 1 129 ILE HA 1 129 ILE MD 4.500 . 4.500 3.929 3.789 4.070 . 0 0 "[ . 1 . 2 .]" 1
1673 1 130 PRO HA 1 130 PRO QG 3.500 . 3.500 3.155 2.951 3.511 0.011 13 0 "[ . 1 . 2 .]" 1
1674 1 131 LEU HB2 1 131 LEU MD1 3.500 . 3.500 2.155 2.038 2.311 . 0 0 "[ . 1 . 2 .]" 1
1675 1 131 LEU HA 1 131 LEU MD1 4.500 . 4.500 3.746 3.700 3.769 . 0 0 "[ . 1 . 2 .]" 1
1676 1 131 LEU H 1 131 LEU HG 4.500 . 4.500 3.640 3.478 4.002 . 0 0 "[ . 1 . 2 .]" 1
1677 1 131 LEU HA 1 131 LEU MD2 2.500 . 2.500 2.350 2.113 2.506 0.006 22 0 "[ . 1 . 2 .]" 1
1678 1 131 LEU H 1 131 LEU MD2 4.500 . 4.500 4.340 4.228 4.445 . 0 0 "[ . 1 . 2 .]" 1
1679 1 131 LEU H 1 131 LEU MD1 4.500 . 4.500 3.849 3.582 4.233 . 0 0 "[ . 1 . 2 .]" 1
1680 1 131 LEU HB3 1 131 LEU MD1 3.500 . 3.500 2.552 2.416 2.670 . 0 0 "[ . 1 . 2 .]" 1
1681 1 132 ASN HA 1 132 ASN QD 4.500 . 4.500 2.729 2.178 3.031 . 0 0 "[ . 1 . 2 .]" 1
1682 1 132 ASN H 1 132 ASN QD 5.500 . 5.500 4.571 4.379 4.686 . 0 0 "[ . 1 . 2 .]" 1
1683 1 133 TRP H 1 133 TRP HD1 3.500 . 3.500 2.861 2.712 2.956 . 0 0 "[ . 1 . 2 .]" 1
1684 1 133 TRP H 1 133 TRP HE3 5.000 . 5.000 4.700 4.571 4.846 . 0 0 "[ . 1 . 2 .]" 1
1685 1 133 TRP HA 1 133 TRP HD1 4.800 . 4.800 4.467 4.397 4.516 . 0 0 "[ . 1 . 2 .]" 1
1686 1 133 TRP HB2 1 133 TRP HD1 3.500 . 3.500 2.568 2.558 2.586 . 0 0 "[ . 1 . 2 .]" 1
1687 1 133 TRP H 1 133 TRP HE1 4.600 . 4.600 4.559 4.478 4.608 0.008 24 0 "[ . 1 . 2 .]" 1
1688 1 133 TRP HA 1 133 TRP HE3 3.500 . 3.500 2.507 2.390 2.690 . 0 0 "[ . 1 . 2 .]" 1
1689 1 136 PHE H 1 136 PHE QD 3.500 . 3.500 2.644 2.362 2.936 . 0 0 "[ . 1 . 2 .]" 1
1690 1 137 THR H 1 137 THR MG 4.500 . 4.500 3.654 3.583 3.752 . 0 0 "[ . 1 . 2 .]" 1
1691 1 137 THR HA 1 137 THR MG 3.500 . 3.500 2.694 2.613 2.747 . 0 0 "[ . 1 . 2 .]" 1
1692 1 137 THR HB 1 137 THR MG 2.500 . 2.500 2.106 2.090 2.120 . 0 0 "[ . 1 . 2 .]" 1
1693 1 138 LYS HA 1 138 LYS HG3 3.500 . 3.500 2.440 2.364 2.557 . 0 0 "[ . 1 . 2 .]" 1
1694 1 138 LYS H 1 138 LYS QG 4.500 . 4.500 3.984 3.963 4.003 . 0 0 "[ . 1 . 2 .]" 1
1695 1 138 LYS HB2 1 138 LYS HD2 3.500 . 3.500 3.433 3.352 3.504 0.004 8 0 "[ . 1 . 2 .]" 1
1696 1 138 LYS HA 1 138 LYS HD3 3.500 . 3.500 3.454 3.026 3.508 0.008 22 0 "[ . 1 . 2 .]" 1
1697 1 138 LYS HA 1 138 LYS HD2 4.500 . 4.500 4.195 3.720 4.395 . 0 0 "[ . 1 . 2 .]" 1
1698 1 138 LYS QB 1 138 LYS QE 4.500 . 4.500 2.640 2.172 3.219 . 0 0 "[ . 1 . 2 .]" 1
1699 1 138 LYS HA 1 138 LYS HG2 4.000 . 4.000 3.625 3.547 3.741 . 0 0 "[ . 1 . 2 .]" 1
1700 1 138 LYS QB 1 138 LYS HD3 3.500 . 3.500 2.087 1.975 2.272 . 0 0 "[ . 1 . 2 .]" 1
1701 1 139 VAL HA 1 139 VAL QG 2.500 . 2.500 2.271 2.154 2.389 . 0 0 "[ . 1 . 2 .]" 1
1702 1 139 VAL H 1 139 VAL QG 3.500 . 3.500 2.102 2.013 2.246 . 0 0 "[ . 1 . 2 .]" 1
1703 1 142 ARG QB 1 142 ARG QD 3.500 . 3.500 2.152 1.942 2.409 . 0 0 "[ . 1 . 2 .]" 1
1704 1 142 ARG HA 1 142 ARG HG3 3.500 . 3.500 2.257 2.114 2.625 . 0 0 "[ . 1 . 2 .]" 1
1705 1 142 ARG HA 1 142 ARG HG2 3.500 . 3.500 3.019 2.689 3.304 . 0 0 "[ . 1 . 2 .]" 1
1706 1 142 ARG H 1 142 ARG QG 4.500 . 4.500 4.195 4.161 4.218 . 0 0 "[ . 1 . 2 .]" 1
1707 1 143 THR HB 1 143 THR MG 2.500 . 2.500 2.098 2.087 2.117 . 0 0 "[ . 1 . 2 .]" 1
1708 1 143 THR H 1 143 THR MG 4.500 . 4.500 3.753 3.714 3.799 . 0 0 "[ . 1 . 2 .]" 1
1709 1 143 THR HA 1 143 THR MG 3.500 . 3.500 2.185 2.124 2.274 . 0 0 "[ . 1 . 2 .]" 1
1710 1 144 VAL HA 1 144 VAL QG 2.500 . 2.500 2.092 2.010 2.343 . 0 0 "[ . 1 . 2 .]" 1
1711 1 144 VAL H 1 144 VAL QG 3.500 . 3.500 2.479 2.044 2.602 . 0 0 "[ . 1 . 2 .]" 1
1712 1 145 GLU H 1 145 GLU HG2 3.500 . 3.500 3.401 3.207 3.508 0.008 12 0 "[ . 1 . 2 .]" 1
1713 1 145 GLU H 1 145 GLU HG3 3.500 . 3.500 2.629 1.946 3.358 . 0 0 "[ . 1 . 2 .]" 1
1714 1 145 GLU HA 1 145 GLU HG3 3.500 . 3.500 3.289 2.999 3.498 . 0 0 "[ . 1 . 2 .]" 1
1715 1 145 GLU QB 1 145 GLU HG2 2.500 . 2.500 2.406 2.180 2.519 0.019 4 0 "[ . 1 . 2 .]" 1
1716 1 145 GLU QB 1 145 GLU HG3 2.500 . 2.500 2.268 2.134 2.498 . 0 0 "[ . 1 . 2 .]" 1
1717 1 147 THR H 1 147 THR MG 3.500 . 3.500 2.302 2.051 2.616 . 0 0 "[ . 1 . 2 .]" 1
1718 1 147 THR HB 1 147 THR MG 2.500 . 2.500 2.099 2.073 2.118 . 0 0 "[ . 1 . 2 .]" 1
1719 1 147 THR HA 1 147 THR MG 2.500 . 2.500 2.347 2.225 2.475 . 0 0 "[ . 1 . 2 .]" 1
1720 1 148 ASN HA 1 148 ASN HD21 4.500 . 4.500 3.950 3.741 4.280 . 0 0 "[ . 1 . 2 .]" 1
1721 1 148 ASN HA 1 148 ASN HD22 4.500 . 4.500 4.211 4.065 4.414 . 0 0 "[ . 1 . 2 .]" 1
1722 1 148 ASN H 1 148 ASN QD 5.500 . 5.500 4.722 4.466 4.807 . 0 0 "[ . 1 . 2 .]" 1
1723 1 148 ASN HB2 1 148 ASN HD21 3.500 . 3.500 3.177 2.233 3.303 . 0 0 "[ . 1 . 2 .]" 1
1724 1 148 ASN HB3 1 148 ASN HD21 3.500 . 3.500 2.160 2.112 2.917 . 0 0 "[ . 1 . 2 .]" 1
1725 1 149 PRO HD3 1 149 PRO QG 2.500 . 2.500 2.243 2.234 2.246 . 0 0 "[ . 1 . 2 .]" 1
1726 1 149 PRO HD2 1 149 PRO QG 2.500 . 2.500 2.186 2.184 2.187 . 0 0 "[ . 1 . 2 .]" 1
1727 1 149 PRO HA 1 149 PRO QG 3.800 . 3.800 3.492 3.483 3.501 . 0 0 "[ . 1 . 2 .]" 1
1728 1 149 PRO HA 1 149 PRO HD3 4.500 . 4.500 3.440 3.361 3.560 . 0 0 "[ . 1 . 2 .]" 1
1729 1 151 LEU HA 1 151 LEU MD1 4.500 . 4.500 3.716 3.683 3.745 . 0 0 "[ . 1 . 2 .]" 1
1730 1 151 LEU HB2 1 151 LEU MD1 3.500 . 3.500 2.500 2.401 2.576 . 0 0 "[ . 1 . 2 .]" 1
1731 1 151 LEU HB2 1 151 LEU MD2 3.500 . 3.500 3.180 3.172 3.186 . 0 0 "[ . 1 . 2 .]" 1
1732 1 151 LEU HA 1 151 LEU HG 3.500 . 3.500 3.261 3.231 3.333 . 0 0 "[ . 1 . 2 .]" 1
1733 1 151 LEU H 1 151 LEU MD2 4.500 . 4.500 3.232 3.073 3.357 . 0 0 "[ . 1 . 2 .]" 1
1734 1 151 LEU H 1 151 LEU MD1 4.500 . 4.500 3.990 3.871 4.106 . 0 0 "[ . 1 . 2 .]" 1
1735 1 152 THR HA 1 152 THR MG 3.500 . 3.500 2.467 2.309 2.635 . 0 0 "[ . 1 . 2 .]" 1
1736 1 152 THR H 1 152 THR MG 4.500 . 4.500 3.720 3.641 3.739 . 0 0 "[ . 1 . 2 .]" 1
1737 1 152 THR HB 1 152 THR MG 2.500 . 2.500 2.109 2.079 2.119 . 0 0 "[ . 1 . 2 .]" 1
1738 1 154 THR HA 1 154 THR MG 3.500 . 3.500 2.343 2.231 2.449 . 0 0 "[ . 1 . 2 .]" 1
1739 1 154 THR H 1 154 THR MG 4.500 . 4.500 3.906 3.867 3.944 . 0 0 "[ . 1 . 2 .]" 1
1740 1 154 THR HB 1 154 THR MG 2.500 . 2.500 2.090 2.070 2.114 . 0 0 "[ . 1 . 2 .]" 1
1741 1 155 TYR H 1 155 TYR QD 4.500 . 4.500 2.986 2.429 3.589 . 0 0 "[ . 1 . 2 .]" 1
1742 1 155 TYR HA 1 155 TYR QD 3.500 . 3.500 2.694 2.161 3.044 . 0 0 "[ . 1 . 2 .]" 1
1743 1 157 VAL HA 1 157 VAL QG 2.500 . 2.500 2.102 2.042 2.174 . 0 0 "[ . 1 . 2 .]" 1
1744 1 157 VAL H 1 157 VAL QG 3.500 . 3.500 2.567 2.347 2.890 . 0 0 "[ . 1 . 2 .]" 1
1745 1 158 TRP HA 1 158 TRP HD1 4.500 . 4.500 3.962 3.879 4.044 . 0 0 "[ . 1 . 2 .]" 1
1746 1 158 TRP H 1 158 TRP HD1 4.500 . 4.500 2.330 2.233 2.431 . 0 0 "[ . 1 . 2 .]" 1
1747 1 158 TRP HA 1 158 TRP HE3 3.800 . 3.800 3.681 3.614 3.779 . 0 0 "[ . 1 . 2 .]" 1
1748 1 159 GLN HA 1 159 GLN HG2 3.500 . 3.500 2.274 2.125 2.560 . 0 0 "[ . 1 . 2 .]" 1
1749 1 159 GLN HA 1 159 GLN HG3 3.500 . 3.500 3.023 2.668 3.301 . 0 0 "[ . 1 . 2 .]" 1
1750 1 159 GLN HB3 1 159 GLN HE22 4.500 . 4.500 3.928 3.579 4.523 0.023 10 0 "[ . 1 . 2 .]" 1
1751 1 159 GLN HB2 1 159 GLN HE22 4.500 . 4.500 4.120 3.851 4.544 0.044 10 0 "[ . 1 . 2 .]" 1
1752 1 159 GLN H 1 159 GLN HG3 4.500 . 4.500 3.679 3.386 3.880 . 0 0 "[ . 1 . 2 .]" 1
1753 1 159 GLN H 1 159 GLN HG2 4.500 . 4.500 4.254 3.972 4.502 0.002 24 0 "[ . 1 . 2 .]" 1
1754 1 160 LYS HA 1 160 LYS HG3 3.500 . 3.500 2.932 2.484 3.391 . 0 0 "[ . 1 . 2 .]" 1
1755 1 160 LYS HA 1 160 LYS QD 4.500 . 4.500 3.977 3.558 4.182 . 0 0 "[ . 1 . 2 .]" 1
1756 1 160 LYS HA 1 160 LYS QE 4.500 . 4.500 4.265 3.765 4.539 0.039 19 0 "[ . 1 . 2 .]" 1
1757 1 160 LYS H 1 160 LYS QD 4.500 . 4.500 4.481 4.336 4.519 0.019 19 0 "[ . 1 . 2 .]" 1
1758 1 160 LYS HA 1 160 LYS QG 3.500 . 3.500 2.335 2.136 2.508 . 0 0 "[ . 1 . 2 .]" 1
1759 1 160 LYS QE 1 160 LYS QG 3.500 . 3.500 2.066 1.936 2.365 . 0 0 "[ . 1 . 2 .]" 1
1760 1 160 LYS H 1 160 LYS QG 4.500 . 4.500 3.868 3.781 3.985 . 0 0 "[ . 1 . 2 .]" 1
1761 1 161 LYS HA 1 161 LYS QG 3.500 . 3.500 3.035 2.348 3.335 . 0 0 "[ . 1 . 2 .]" 1
1762 1 161 LYS QE 1 161 LYS HG3 3.500 . 3.500 2.956 2.029 3.272 . 0 0 "[ . 1 . 2 .]" 1
1763 1 161 LYS QE 1 161 LYS HG2 3.500 . 3.500 2.287 1.956 3.291 . 0 0 "[ . 1 . 2 .]" 1
1764 1 161 LYS H 1 161 LYS HG2 3.500 . 3.500 2.879 2.405 3.504 0.004 11 0 "[ . 1 . 2 .]" 1
1765 1 161 LYS H 1 161 LYS HG3 3.500 . 3.500 2.646 1.778 3.508 0.008 1 0 "[ . 1 . 2 .]" 1
1766 1 161 LYS H 1 161 LYS QE 4.500 . 4.500 4.326 3.580 4.530 0.030 20 0 "[ . 1 . 2 .]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 92
_Distance_constraint_stats_list.Viol_count 248
_Distance_constraint_stats_list.Viol_total 71.924
_Distance_constraint_stats_list.Viol_max 0.039
_Distance_constraint_stats_list.Viol_rms 0.0047
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0013
_Distance_constraint_stats_list.Viol_average_violations_only 0.0116
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 1 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 2 ALA 0.113 0.022 1 0 "[ . 1 . 2 .]"
1 3 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 4 LEU 0.415 0.034 2 0 "[ . 1 . 2 .]"
1 5 TRP 0.237 0.030 9 0 "[ . 1 . 2 .]"
1 11 GLY 0.019 0.009 21 0 "[ . 1 . 2 .]"
1 38 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 39 MET 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 40 VAL 0.547 0.037 20 0 "[ . 1 . 2 .]"
1 41 VAL 0.059 0.013 24 0 "[ . 1 . 2 .]"
1 42 GLY 0.052 0.011 10 0 "[ . 1 . 2 .]"
1 43 ARG 0.007 0.005 2 0 "[ . 1 . 2 .]"
1 44 ARG 0.069 0.017 16 0 "[ . 1 . 2 .]"
1 45 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 46 TYR 0.011 0.011 10 0 "[ . 1 . 2 .]"
1 47 GLU 0.007 0.005 2 0 "[ . 1 . 2 .]"
1 48 SER 0.069 0.017 16 0 "[ . 1 . 2 .]"
1 49 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 54 LEU 0.039 0.014 12 0 "[ . 1 . 2 .]"
1 57 ARG 0.039 0.014 12 0 "[ . 1 . 2 .]"
1 58 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 59 ASN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 60 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 61 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 62 LEU 0.059 0.013 24 0 "[ . 1 . 2 .]"
1 63 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 74 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 76 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 78 ASP 0.003 0.002 4 0 "[ . 1 . 2 .]"
1 79 VAL 0.332 0.027 11 0 "[ . 1 . 2 .]"
1 80 ALA 0.046 0.010 20 0 "[ . 1 . 2 .]"
1 81 ALA 0.588 0.039 4 0 "[ . 1 . 2 .]"
1 82 VAL 0.003 0.002 4 0 "[ . 1 . 2 .]"
1 83 PHE 0.332 0.027 11 0 "[ . 1 . 2 .]"
1 84 ALA 0.174 0.017 4 0 "[ . 1 . 2 .]"
1 85 TYR 0.635 0.039 4 0 "[ . 1 . 2 .]"
1 86 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 87 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 88 GLN 0.128 0.017 4 0 "[ . 1 . 2 .]"
1 89 HIS 0.048 0.018 2 0 "[ . 1 . 2 .]"
1 94 LEU 0.113 0.022 1 0 "[ . 1 . 2 .]"
1 95 VAL 0.212 0.026 7 0 "[ . 1 . 2 .]"
1 96 ILE 0.415 0.034 2 0 "[ . 1 . 2 .]"
1 97 ALA 0.037 0.015 15 0 "[ . 1 . 2 .]"
1 98 GLY 0.339 0.037 20 0 "[ . 1 . 2 .]"
1 99 GLY 0.005 0.005 6 0 "[ . 1 . 2 .]"
1 103 PHE 0.005 0.005 6 0 "[ . 1 . 2 .]"
1 107 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 111 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 112 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 113 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 114 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 115 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 116 THR 0.237 0.030 9 0 "[ . 1 . 2 .]"
1 117 ARG 0.073 0.019 7 0 "[ . 1 . 2 .]"
1 128 MET 0.019 0.009 21 0 "[ . 1 . 2 .]"
1 132 ASN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 136 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 137 THR 0.011 0.004 11 0 "[ . 1 . 2 .]"
1 140 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 142 ARG 0.025 0.010 13 0 "[ . 1 . 2 .]"
1 144 VAL 0.061 0.010 10 0 "[ . 1 . 2 .]"
1 153 HIS 0.061 0.010 10 0 "[ . 1 . 2 .]"
1 154 THR 0.073 0.019 7 0 "[ . 1 . 2 .]"
1 155 TYR 0.025 0.010 13 0 "[ . 1 . 2 .]"
1 156 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 157 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 158 TRP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 159 GLN 0.011 0.004 11 0 "[ . 1 . 2 .]"
1 160 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ALA H 1 94 LEU O 2.200 . 2.400 2.322 1.977 2.422 0.022 1 0 "[ . 1 . 2 .]" 2
2 1 2 ALA N 1 94 LEU O 3.200 2.500 3.400 3.241 2.918 3.384 . 0 0 "[ . 1 . 2 .]" 2
3 1 3 PHE H 1 112 THR O 2.200 . 2.400 2.105 1.927 2.259 . 0 0 "[ . 1 . 2 .]" 2
4 1 3 PHE N 1 112 THR O 3.200 2.500 3.400 2.891 2.701 3.044 . 0 0 "[ . 1 . 2 .]" 2
5 1 4 LEU H 1 96 ILE O 2.200 . 2.400 2.372 2.162 2.434 0.034 2 0 "[ . 1 . 2 .]" 2
6 1 4 LEU N 1 96 ILE O 3.200 2.500 3.400 3.342 3.137 3.407 0.007 2 0 "[ . 1 . 2 .]" 2
7 1 5 TRP H 1 114 LEU O 2.200 . 2.400 2.214 2.109 2.286 . 0 0 "[ . 1 . 2 .]" 2
8 1 5 TRP N 1 114 LEU O 3.200 2.500 3.400 3.124 3.048 3.193 . 0 0 "[ . 1 . 2 .]" 2
9 1 39 MET H 1 58 THR O 2.200 . 2.400 1.859 1.660 2.020 . 0 0 "[ . 1 . 2 .]" 2
10 1 39 MET N 1 58 THR O 3.200 2.500 3.400 2.724 2.580 2.933 . 0 0 "[ . 1 . 2 .]" 2
11 1 40 VAL H 1 95 VAL O 2.200 . 2.400 2.380 2.244 2.426 0.026 7 0 "[ . 1 . 2 .]" 2
12 1 40 VAL N 1 95 VAL O 3.200 2.500 3.400 3.223 3.080 3.288 . 0 0 "[ . 1 . 2 .]" 2
13 1 41 VAL H 1 60 VAL O 2.200 . 2.400 2.033 1.647 2.383 . 0 0 "[ . 1 . 2 .]" 2
14 1 41 VAL N 1 60 VAL O 3.200 2.500 3.400 2.824 2.572 3.039 . 0 0 "[ . 1 . 2 .]" 2
15 1 42 GLY H 1 98 GLY O 2.200 . 2.400 2.350 2.073 2.407 0.007 2 0 "[ . 1 . 2 .]" 2
16 1 42 GLY N 1 98 GLY O 3.200 2.500 3.400 2.993 2.684 3.183 . 0 0 "[ . 1 . 2 .]" 2
17 1 41 VAL O 1 62 LEU H 2.200 . 2.400 2.343 2.149 2.413 0.013 24 0 "[ . 1 . 2 .]" 2
18 1 41 VAL O 1 62 LEU N 3.200 2.500 3.400 3.170 2.929 3.341 . 0 0 "[ . 1 . 2 .]" 2
19 1 63 THR H 1 76 VAL O 2.200 . 2.400 2.081 1.861 2.298 . 0 0 "[ . 1 . 2 .]" 2
20 1 63 THR N 1 76 VAL O 3.200 2.500 3.400 2.982 2.764 3.174 . 0 0 "[ . 1 . 2 .]" 2
21 1 59 ASN O 1 74 VAL H 2.200 . 2.400 1.872 1.641 2.184 . 0 0 "[ . 1 . 2 .]" 2
22 1 59 ASN O 1 74 VAL N 3.200 2.500 3.400 2.835 2.598 3.138 . 0 0 "[ . 1 . 2 .]" 2
23 1 61 VAL O 1 76 VAL H 2.200 . 2.400 1.688 1.617 1.920 . 0 0 "[ . 1 . 2 .]" 2
24 1 61 VAL O 1 76 VAL N 3.200 2.500 3.400 2.613 2.546 2.816 . 0 0 "[ . 1 . 2 .]" 2
25 1 38 ILE O 1 95 VAL H 2.200 . 2.400 2.164 1.711 2.332 . 0 0 "[ . 1 . 2 .]" 2
26 1 38 ILE O 1 95 VAL N 3.200 2.500 3.400 3.128 2.670 3.286 . 0 0 "[ . 1 . 2 .]" 2
27 1 2 ALA O 1 96 ILE H 2.200 . 2.400 2.077 1.906 2.272 . 0 0 "[ . 1 . 2 .]" 2
28 1 2 ALA O 1 96 ILE N 3.200 2.500 3.400 2.857 2.640 3.057 . 0 0 "[ . 1 . 2 .]" 2
29 1 40 VAL O 1 97 ALA H 2.200 . 2.400 2.275 2.080 2.415 0.015 15 0 "[ . 1 . 2 .]" 2
30 1 40 VAL O 1 97 ALA N 3.200 2.500 3.400 3.215 3.036 3.326 . 0 0 "[ . 1 . 2 .]" 2
31 1 1 THR O 1 112 THR H 2.200 . 2.400 2.035 1.763 2.220 . 0 0 "[ . 1 . 2 .]" 2
32 1 1 THR O 1 112 THR N 3.200 2.500 3.400 2.691 2.585 2.841 . 0 0 "[ . 1 . 2 .]" 2
33 1 113 LEU H 1 158 TRP O 2.200 . 2.400 1.881 1.733 2.117 . 0 0 "[ . 1 . 2 .]" 2
34 1 113 LEU N 1 158 TRP O 3.200 2.500 3.400 2.786 2.657 2.995 . 0 0 "[ . 1 . 2 .]" 2
35 1 5 TRP O 1 116 THR H 2.200 . 2.400 2.393 2.225 2.430 0.030 9 0 "[ . 1 . 2 .]" 2
36 1 5 TRP O 1 116 THR N 3.200 2.500 3.400 3.210 3.071 3.276 . 0 0 "[ . 1 . 2 .]" 2
37 1 117 ARG H 1 154 THR O 2.200 . 2.400 2.296 2.111 2.408 0.008 12 0 "[ . 1 . 2 .]" 2
38 1 117 ARG N 1 154 THR O 3.200 2.500 3.400 3.138 2.987 3.215 . 0 0 "[ . 1 . 2 .]" 2
39 1 137 THR H 1 159 GLN O 2.200 . 2.400 2.249 1.982 2.404 0.004 11 0 "[ . 1 . 2 .]" 2
40 1 137 THR N 1 159 GLN O 3.200 2.500 3.400 3.011 2.800 3.193 . 0 0 "[ . 1 . 2 .]" 2
41 1 144 VAL H 1 153 HIS O 2.200 . 2.400 1.574 1.521 1.791 . 0 0 "[ . 1 . 2 .]" 2
42 1 144 VAL N 1 153 HIS O 3.200 2.500 3.400 2.513 2.490 2.594 0.010 10 0 "[ . 1 . 2 .]" 2
43 1 117 ARG O 1 154 THR H 2.200 . 2.400 2.277 2.029 2.419 0.019 7 0 "[ . 1 . 2 .]" 2
44 1 117 ARG O 1 154 THR N 3.200 2.500 3.400 2.941 2.775 3.182 . 0 0 "[ . 1 . 2 .]" 2
45 1 142 ARG O 1 155 TYR H 2.200 . 2.400 2.234 1.704 2.410 0.010 13 0 "[ . 1 . 2 .]" 2
46 1 142 ARG O 1 155 TYR N 3.200 2.500 3.400 3.189 2.647 3.387 . 0 0 "[ . 1 . 2 .]" 2
47 1 115 VAL O 1 156 GLU H 2.200 . 2.400 2.091 1.955 2.238 . 0 0 "[ . 1 . 2 .]" 2
48 1 115 VAL O 1 156 GLU N 3.200 2.500 3.400 3.051 2.890 3.179 . 0 0 "[ . 1 . 2 .]" 2
49 1 140 SER O 1 157 VAL H 2.200 . 2.400 1.732 1.626 1.887 . 0 0 "[ . 1 . 2 .]" 2
50 1 140 SER O 1 157 VAL N 3.200 2.500 3.400 2.673 2.575 2.808 . 0 0 "[ . 1 . 2 .]" 2
51 1 113 LEU O 1 158 TRP H 2.200 . 2.400 1.809 1.682 1.964 . 0 0 "[ . 1 . 2 .]" 2
52 1 113 LEU O 1 158 TRP N 3.200 2.500 3.400 2.781 2.656 2.938 . 0 0 "[ . 1 . 2 .]" 2
53 1 137 THR O 1 159 GLN H 2.200 . 2.400 1.681 1.636 1.737 . 0 0 "[ . 1 . 2 .]" 2
54 1 137 THR O 1 159 GLN N 3.200 2.500 3.400 2.623 2.578 2.695 . 0 0 "[ . 1 . 2 .]" 2
55 1 111 ASP O 1 160 LYS H 2.200 . 2.400 2.120 1.763 2.345 . 0 0 "[ . 1 . 2 .]" 2
56 1 111 ASP O 1 160 LYS N 3.200 2.500 3.400 3.024 2.677 3.324 . 0 0 "[ . 1 . 2 .]" 2
57 1 42 GLY O 1 46 TYR H 2.300 . 2.500 1.788 1.686 1.890 . 0 0 "[ . 1 . 2 .]" 2
58 1 42 GLY O 1 46 TYR N 3.300 2.600 3.500 2.715 2.589 2.818 0.011 10 0 "[ . 1 . 2 .]" 2
59 1 43 ARG O 1 47 GLU H 2.300 . 2.500 2.302 1.872 2.505 0.005 2 0 "[ . 1 . 2 .]" 2
60 1 43 ARG O 1 47 GLU N 3.300 2.600 3.500 3.128 2.817 3.278 . 0 0 "[ . 1 . 2 .]" 2
61 1 44 ARG O 1 48 SER H 2.300 . 2.500 2.485 2.387 2.517 0.017 16 0 "[ . 1 . 2 .]" 2
62 1 44 ARG O 1 48 SER N 3.300 2.600 3.500 3.444 3.342 3.478 . 0 0 "[ . 1 . 2 .]" 2
63 1 45 THR O 1 49 PHE H 2.300 . 2.500 2.109 1.898 2.433 . 0 0 "[ . 1 . 2 .]" 2
64 1 45 THR O 1 49 PHE N 3.300 2.600 3.500 2.988 2.749 3.296 . 0 0 "[ . 1 . 2 .]" 2
65 1 78 ASP O 1 82 VAL H 2.300 . 2.500 2.376 2.185 2.502 0.002 4 0 "[ . 1 . 2 .]" 2
66 1 78 ASP O 1 82 VAL N 3.300 2.600 3.500 3.236 3.093 3.338 . 0 0 "[ . 1 . 2 .]" 2
67 1 79 VAL O 1 83 PHE H 2.300 . 2.500 2.513 2.503 2.527 0.027 11 0 "[ . 1 . 2 .]" 2
68 1 79 VAL O 1 83 PHE N 3.300 2.600 3.500 3.459 3.441 3.485 . 0 0 "[ . 1 . 2 .]" 2
69 1 80 ALA O 1 84 ALA H 2.300 . 2.500 2.475 2.337 2.510 0.010 20 0 "[ . 1 . 2 .]" 2
70 1 80 ALA O 1 84 ALA N 3.300 2.600 3.500 3.204 3.144 3.245 . 0 0 "[ . 1 . 2 .]" 2
71 1 81 ALA O 1 85 TYR H 2.300 . 2.500 2.524 2.507 2.539 0.039 4 0 "[ . 1 . 2 .]" 2
72 1 81 ALA O 1 85 TYR N 3.300 2.600 3.500 3.377 3.340 3.408 . 0 0 "[ . 1 . 2 .]" 2
73 1 82 VAL O 1 86 ALA H 2.300 . 2.500 2.045 1.937 2.130 . 0 0 "[ . 1 . 2 .]" 2
74 1 82 VAL O 1 86 ALA N 3.300 2.600 3.500 2.997 2.883 3.095 . 0 0 "[ . 1 . 2 .]" 2
75 1 83 PHE O 1 87 LYS H 2.300 . 2.500 2.115 1.944 2.263 . 0 0 "[ . 1 . 2 .]" 2
76 1 83 PHE O 1 87 LYS N 3.300 2.600 3.500 2.754 2.601 2.881 . 0 0 "[ . 1 . 2 .]" 2
77 1 84 ALA O 1 88 GLN H 2.300 . 2.500 2.469 2.092 2.517 0.017 4 0 "[ . 1 . 2 .]" 2
78 1 84 ALA O 1 88 GLN N 3.300 2.600 3.500 3.295 2.953 3.412 . 0 0 "[ . 1 . 2 .]" 2
79 1 85 TYR O 1 89 HIS H 2.300 . 2.500 2.427 2.151 2.518 0.018 2 0 "[ . 1 . 2 .]" 2
80 1 85 TYR O 1 89 HIS N 3.300 2.600 3.500 2.998 2.787 3.114 . 0 0 "[ . 1 . 2 .]" 2
81 1 99 GLY O 1 103 PHE H 2.300 . 2.500 2.030 1.782 2.211 . 0 0 "[ . 1 . 2 .]" 2
82 1 99 GLY O 1 103 PHE N 3.300 2.600 3.500 2.808 2.595 2.973 0.005 6 0 "[ . 1 . 2 .]" 2
83 1 103 PHE O 1 107 LYS H 2.300 . 2.500 2.342 2.043 2.464 . 0 0 "[ . 1 . 2 .]" 2
84 1 103 PHE O 1 107 LYS N 3.300 2.600 3.500 3.013 2.738 3.120 . 0 0 "[ . 1 . 2 .]" 2
85 1 54 LEU O 1 57 ARG H 2.500 . 3.000 2.616 2.137 3.014 0.014 12 0 "[ . 1 . 2 .]" 2
86 1 54 LEU O 1 57 ARG N 3.500 2.800 4.000 3.549 3.114 3.960 . 0 0 "[ . 1 . 2 .]" 2
87 1 40 VAL O 1 98 GLY H 2.400 . 2.900 2.818 2.520 2.937 0.037 20 0 "[ . 1 . 2 .]" 2
88 1 40 VAL O 1 98 GLY N 3.400 2.700 3.900 3.765 3.493 3.885 . 0 0 "[ . 1 . 2 .]" 2
89 1 11 GLY O 1 128 MET H 2.400 . 2.900 2.579 2.014 2.909 0.009 21 0 "[ . 1 . 2 .]" 2
90 1 11 GLY O 1 128 MET N 3.400 2.700 3.900 3.483 2.976 3.876 . 0 0 "[ . 1 . 2 .]" 2
91 1 132 ASN O 1 136 PHE H 2.400 . 2.900 2.572 2.392 2.652 . 0 0 "[ . 1 . 2 .]" 2
92 1 132 ASN O 1 136 PHE N 3.400 2.700 3.900 3.349 3.206 3.489 . 0 0 "[ . 1 . 2 .]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 2
_Distance_constraint_stats_list.Viol_count 15
_Distance_constraint_stats_list.Viol_total 2.520
_Distance_constraint_stats_list.Viol_max 0.053
_Distance_constraint_stats_list.Viol_rms 0.0076
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0020
_Distance_constraint_stats_list.Viol_average_violations_only 0.0067
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 25 ASP 0.101 0.053 18 0 "[ . 1 . 2 .]"
1 153 HIS 0.101 0.053 18 0 "[ . 1 . 2 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 25 ASP OD1 1 153 HIS HD1 2.500 . 3.000 2.799 1.939 3.009 0.009 16 0 "[ . 1 . 2 .]" 3
2 1 25 ASP OD1 1 153 HIS ND1 3.500 2.500 4.000 3.377 2.447 3.831 0.053 18 0 "[ . 1 . 2 .]" 3
stop_
save_
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