NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
533697 |
2km8   |
16425 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2km8
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 4078
_Distance_constraint_stats_list.Viol_count 2798
_Distance_constraint_stats_list.Viol_total 2103.877
_Distance_constraint_stats_list.Viol_max 1.767
_Distance_constraint_stats_list.Viol_rms 0.0310
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0052
_Distance_constraint_stats_list.Viol_average_violations_only 0.0752
_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 U 6.133 1.767 9 3 "[ * - +1]"
1 2 A 7.476 1.415 8 6 "[ **.-*+*1]"
1 3 U 1.201 0.241 2 0 "[ . 1]"
1 4 A 5.981 1.088 6 1 "[ .+ 1]"
1 5 U 4.787 0.484 1 0 "[ . 1]"
1 6 A 2.379 0.189 7 0 "[ . 1]"
1 7 U 3.167 0.385 6 0 "[ . 1]"
1 8 A 2.241 0.336 10 0 "[ . 1]"
1 9 A 6.060 0.656 9 1 "[ . +1]"
1 10 U 6.488 0.622 6 4 "[* -+ *]"
1 11 A 5.630 0.622 6 5 "[* -+* *]"
1 12 A 2.605 0.621 7 1 "[ . + 1]"
1 13 U 0.092 0.026 7 0 "[ . 1]"
2 1 ASN 0.150 0.047 9 0 "[ . 1]"
2 2 PRO 0.113 0.067 9 0 "[ . 1]"
2 3 PRO 0.218 0.068 2 0 "[ . 1]"
2 4 SER 0.492 0.067 9 0 "[ . 1]"
2 5 ARG 0.416 0.103 10 0 "[ . 1]"
2 6 VAL 2.905 0.301 6 0 "[ . 1]"
2 7 VAL 2.956 0.265 10 0 "[ . 1]"
2 8 TYR 2.330 0.656 9 1 "[ . +1]"
2 9 LEU 1.517 0.239 5 0 "[ . 1]"
2 10 GLY 0.308 0.119 9 0 "[ . 1]"
2 11 SER 0.000 0.000 . 0 "[ . 1]"
2 12 ILE 2.892 0.261 7 0 "[ . 1]"
2 13 PRO 1.461 0.243 2 0 "[ . 1]"
2 14 TYR 2.942 0.491 7 0 "[ . 1]"
2 15 ASP 0.000 0.000 . 0 "[ . 1]"
2 16 GLN 4.479 0.243 2 0 "[ . 1]"
2 17 THR 2.178 0.211 4 0 "[ . 1]"
2 18 GLU 1.642 0.220 2 0 "[ . 1]"
2 19 GLU 1.556 0.237 7 0 "[ . 1]"
2 20 GLN 1.795 0.156 6 0 "[ . 1]"
2 21 ILE 3.485 0.217 7 0 "[ . 1]"
2 22 LEU 1.681 0.156 6 0 "[ . 1]"
2 23 ASP 1.939 0.237 7 0 "[ . 1]"
2 24 LEU 4.019 0.347 2 0 "[ . 1]"
2 25 CYS 1.004 0.245 2 0 "[ . 1]"
2 26 SER 1.180 0.135 3 0 "[ . 1]"
2 27 ASN 2.650 0.207 4 0 "[ . 1]"
2 28 VAL 5.566 0.267 2 0 "[ . 1]"
2 29 GLY 1.218 0.158 5 0 "[ . 1]"
2 30 PRO 0.103 0.053 4 0 "[ . 1]"
2 31 VAL 3.249 0.163 6 0 "[ . 1]"
2 32 ILE 1.244 0.158 2 0 "[ . 1]"
2 33 ASN 1.538 0.151 7 0 "[ . 1]"
2 34 LEU 3.941 0.199 2 0 "[ . 1]"
2 35 LYS 1.527 0.136 10 0 "[ . 1]"
2 36 MET 2.295 0.171 2 0 "[ . 1]"
2 37 MET 2.695 0.489 7 0 "[ . 1]"
2 38 PHE 3.202 0.217 7 0 "[ . 1]"
2 39 ASP 1.755 0.149 7 0 "[ . 1]"
2 40 PRO 0.787 0.165 5 0 "[ . 1]"
2 41 GLN 0.602 0.144 7 0 "[ . 1]"
2 42 THR 0.495 0.073 1 0 "[ . 1]"
2 43 GLY 0.296 0.116 2 0 "[ . 1]"
2 44 ARG 0.705 0.137 7 0 "[ . 1]"
2 45 SER 0.503 0.119 8 0 "[ . 1]"
2 46 LYS 0.830 0.165 5 0 "[ . 1]"
2 47 GLY 1.613 0.491 7 0 "[ . 1]"
2 48 TYR 4.600 0.336 10 0 "[ . 1]"
2 49 ALA 0.354 0.086 10 0 "[ . 1]"
2 50 PHE 3.380 0.340 5 0 "[ . 1]"
2 51 ILE 6.354 0.273 8 0 "[ . 1]"
2 52 GLU 3.466 0.273 8 0 "[ . 1]"
2 53 PHE 6.002 0.227 7 0 "[ . 1]"
2 54 ARG 2.538 0.194 8 0 "[ . 1]"
2 55 ASP 1.797 0.196 5 0 "[ . 1]"
2 56 LEU 3.167 0.231 4 0 "[ . 1]"
2 57 GLU 0.024 0.024 4 0 "[ . 1]"
2 58 SER 2.065 0.231 4 0 "[ . 1]"
2 59 SER 1.364 0.183 5 0 "[ . 1]"
2 60 ALA 3.345 0.220 9 0 "[ . 1]"
2 61 SER 1.063 0.178 4 0 "[ . 1]"
2 62 ALA 1.783 0.267 2 0 "[ . 1]"
2 63 VAL 1.770 0.178 4 0 "[ . 1]"
2 64 ARG 0.299 0.134 4 0 "[ . 1]"
2 65 ASN 0.943 0.217 2 0 "[ . 1]"
2 66 LEU 2.139 0.188 4 0 "[ . 1]"
2 67 ASN 3.181 0.300 9 0 "[ . 1]"
2 68 GLY 0.617 0.132 1 0 "[ . 1]"
2 69 TYR 6.112 0.347 2 0 "[ . 1]"
2 70 GLN 3.389 0.228 3 0 "[ . 1]"
2 71 LEU 2.161 0.245 2 0 "[ . 1]"
2 72 GLY 1.603 0.250 7 0 "[ . 1]"
2 73 SER 0.000 0.000 . 0 "[ . 1]"
2 74 ARG 2.568 0.221 10 0 "[ . 1]"
2 75 PHE 4.647 0.228 3 0 "[ . 1]"
2 76 LEU 5.822 0.302 9 0 "[ . 1]"
2 77 LYS 0.808 0.189 9 0 "[ . 1]"
2 79 GLY 1.138 0.264 4 0 "[ . 1]"
2 80 TYR 0.399 0.259 6 0 "[ . 1]"
2 81 SER 0.889 0.259 6 0 "[ . 1]"
2 82 SER 0.943 0.301 6 0 "[ . 1]"
2 83 ASN 0.383 0.149 8 0 "[ . 1]"
2 84 SER 0.171 0.149 8 0 "[ . 1]"
3 2 GLU 0.000 0.000 . 0 "[ . 1]"
3 3 SER 0.000 0.000 . 0 "[ . 1]"
3 4 CYS 0.726 0.167 9 0 "[ . 1]"
3 5 LYS 1.153 0.200 7 0 "[ . 1]"
3 6 MET 0.640 0.119 4 0 "[ . 1]"
3 7 PHE 3.205 0.205 7 0 "[ . 1]"
3 8 ILE 1.713 0.220 10 0 "[ . 1]"
3 9 GLY 0.659 0.341 4 0 "[ . 1]"
3 10 GLY 1.070 0.135 8 0 "[ . 1]"
3 11 LEU 1.248 0.258 10 0 "[ . 1]"
3 12 ASN 0.959 0.136 6 0 "[ . 1]"
3 13 TRP 5.852 1.088 6 1 "[ .+ 1]"
3 14 ASP 0.260 0.070 5 0 "[ . 1]"
3 15 THR 1.122 0.090 10 0 "[ . 1]"
3 16 THR 1.078 0.141 8 0 "[ . 1]"
3 17 GLU 1.294 0.166 7 0 "[ . 1]"
3 18 ASP 0.283 0.141 8 0 "[ . 1]"
3 19 ASN 0.752 0.076 10 0 "[ . 1]"
3 20 LEU 0.958 0.158 9 0 "[ . 1]"
3 21 ARG 1.674 0.300 4 0 "[ . 1]"
3 22 GLU 1.204 0.136 10 0 "[ . 1]"
3 23 TYR 3.597 0.271 10 0 "[ . 1]"
3 24 PHE 3.421 0.168 6 0 "[ . 1]"
3 25 GLY 0.060 0.060 5 0 "[ . 1]"
3 26 LYS 1.222 0.132 8 0 "[ . 1]"
3 27 TYR 4.892 0.271 10 0 "[ . 1]"
3 28 GLY 0.318 0.131 10 0 "[ . 1]"
3 29 THR 0.307 0.057 4 0 "[ . 1]"
3 30 VAL 1.013 0.141 3 0 "[ . 1]"
3 31 THR 0.334 0.071 5 0 "[ . 1]"
3 32 ASP 0.907 0.176 6 0 "[ . 1]"
3 33 LEU 1.285 0.300 4 0 "[ . 1]"
3 34 LYS 1.888 0.199 7 0 "[ . 1]"
3 35 ILE 1.421 0.166 7 0 "[ . 1]"
3 36 MET 0.500 0.075 4 0 "[ . 1]"
3 37 LYS 0.287 0.117 8 0 "[ . 1]"
3 38 ASP 0.680 0.090 2 0 "[ . 1]"
3 39 PRO 0.000 0.000 . 0 "[ . 1]"
3 40 ALA 0.542 0.230 10 0 "[ . 1]"
3 41 THR 1.092 0.230 10 0 "[ . 1]"
3 42 GLY 0.379 0.088 6 0 "[ . 1]"
3 43 ARG 2.165 0.201 10 0 "[ . 1]"
3 44 SER 0.638 0.172 2 0 "[ . 1]"
3 45 ARG 0.633 0.102 2 0 "[ . 1]"
3 46 GLY 1.052 0.245 6 0 "[ . 1]"
3 47 PHE 1.732 0.362 1 0 "[ . 1]"
3 48 GLY 0.000 0.000 . 0 "[ . 1]"
3 49 PHE 4.003 0.199 7 0 "[ . 1]"
3 50 LEU 0.969 0.180 3 0 "[ . 1]"
3 51 SER 1.660 0.220 10 0 "[ . 1]"
3 52 PHE 2.330 0.262 10 0 "[ . 1]"
3 53 GLU 0.682 0.216 4 0 "[ . 1]"
3 54 LYS 0.894 0.262 10 0 "[ . 1]"
3 55 PRO 0.292 0.096 3 0 "[ . 1]"
3 56 SER 0.051 0.037 4 0 "[ . 1]"
3 57 SER 1.158 0.156 1 0 "[ . 1]"
3 58 VAL 0.530 0.135 2 0 "[ . 1]"
3 59 ASP 0.277 0.113 6 0 "[ . 1]"
3 60 GLU 0.896 0.152 3 0 "[ . 1]"
3 61 VAL 1.114 0.220 6 0 "[ . 1]"
3 62 VAL 1.083 0.220 6 0 "[ . 1]"
3 63 LYS 0.142 0.065 5 0 "[ . 1]"
3 64 THR 0.751 0.127 7 0 "[ . 1]"
3 65 GLN 0.696 0.127 7 0 "[ . 1]"
3 66 HIS 2.016 0.158 8 0 "[ . 1]"
3 67 ILE 0.313 0.142 5 0 "[ . 1]"
3 68 LEU 1.153 0.135 2 0 "[ . 1]"
3 69 ASP 0.121 0.039 2 0 "[ . 1]"
3 70 GLY 0.205 0.077 5 0 "[ . 1]"
3 71 LYS 1.241 0.153 5 0 "[ . 1]"
3 72 VAL 1.628 0.224 8 0 "[ . 1]"
3 73 ILE 0.822 0.258 10 0 "[ . 1]"
3 74 ASP 0.273 0.105 2 0 "[ . 1]"
3 75 PRO 1.242 0.117 10 0 "[ . 1]"
3 76 LYS 0.223 0.081 3 0 "[ . 1]"
3 77 ARG 0.274 0.169 4 0 "[ . 1]"
3 78 ALA 0.055 0.032 4 0 "[ . 1]"
3 79 ILE 0.884 0.171 8 0 "[ . 1]"
3 80 PRO 0.000 0.000 . 0 "[ . 1]"
3 81 ARG 0.623 0.104 4 0 "[ . 1]"
3 82 ASP 0.159 0.039 7 0 "[ . 1]"
3 83 GLU 0.487 0.089 5 0 "[ . 1]"
3 84 GLN 0.891 0.130 8 0 "[ . 1]"
3 85 ASP 0.159 0.039 7 0 "[ . 1]"
3 86 LYS 0.000 0.000 . 0 "[ . 1]"
3 87 THR 0.548 0.171 8 0 "[ . 1]"
3 88 GLY 0.090 0.066 8 0 "[ . 1]"
3 89 LYS 0.979 0.118 1 0 "[ . 1]"
3 90 ILE 1.662 0.160 10 0 "[ . 1]"
3 91 PHE 7.133 1.767 9 3 "[ * - +1]"
3 92 VAL 0.346 0.140 7 0 "[ . 1]"
3 93 GLY 0.000 0.000 . 0 "[ . 1]"
3 94 GLY 0.242 0.151 10 0 "[ . 1]"
3 95 ILE 1.953 0.208 9 0 "[ . 1]"
3 96 GLY 0.126 0.046 6 0 "[ . 1]"
3 97 PRO 0.000 0.000 . 0 "[ . 1]"
3 98 ASP 0.323 0.096 8 0 "[ . 1]"
3 99 VAL 1.386 0.206 8 0 "[ . 1]"
3 100 ARG 0.029 0.017 4 0 "[ . 1]"
3 101 PRO 0.117 0.077 7 0 "[ . 1]"
3 102 LYS 0.018 0.018 7 0 "[ . 1]"
3 103 GLU 1.117 0.192 7 0 "[ . 1]"
3 104 PHE 0.933 0.122 10 0 "[ . 1]"
3 105 GLU 0.350 0.066 1 0 "[ . 1]"
3 106 GLU 0.644 0.192 7 0 "[ . 1]"
3 107 PHE 4.246 0.251 4 0 "[ . 1]"
3 108 PHE 1.637 0.147 1 0 "[ . 1]"
3 109 SER 0.325 0.128 7 0 "[ . 1]"
3 110 GLN 1.717 0.276 4 0 "[ . 1]"
3 111 TRP 7.714 0.276 4 0 "[ . 1]"
3 112 GLY 1.230 0.408 10 0 "[ . 1]"
3 113 THR 0.225 0.089 6 0 "[ . 1]"
3 114 ILE 3.415 0.242 5 0 "[ . 1]"
3 115 ILE 0.600 0.261 6 0 "[ . 1]"
3 116 ASP 0.000 0.000 . 0 "[ . 1]"
3 117 ALA 0.175 0.122 10 0 "[ . 1]"
3 118 GLN 0.236 0.059 7 0 "[ . 1]"
3 119 LEU 0.880 0.093 8 0 "[ . 1]"
3 120 MET 1.646 0.241 2 0 "[ . 1]"
3 121 LEU 2.663 0.224 8 0 "[ . 1]"
3 122 ASP 0.675 0.175 6 0 "[ . 1]"
3 123 LYS 1.156 0.159 5 0 "[ . 1]"
3 124 ASP 0.646 0.201 4 0 "[ . 1]"
3 125 THR 1.227 0.273 4 0 "[ . 1]"
3 126 GLY 0.590 0.148 1 0 "[ . 1]"
3 127 GLN 2.460 0.273 4 0 "[ . 1]"
3 128 SER 0.301 0.120 2 0 "[ . 1]"
3 130 GLY 0.339 0.133 3 0 "[ . 1]"
3 131 PHE 8.904 1.415 8 6 "[ **.-*+*1]"
3 132 GLY 0.096 0.096 2 0 "[ . 1]"
3 133 PHE 1.175 0.172 4 0 "[ . 1]"
3 134 VAL 0.547 0.242 5 0 "[ . 1]"
3 135 THR 0.877 0.118 1 0 "[ . 1]"
3 136 TYR 5.254 0.408 10 0 "[ . 1]"
3 137 ASP 0.615 0.261 6 0 "[ . 1]"
3 138 SER 0.060 0.037 4 0 "[ . 1]"
3 139 ALA 0.165 0.149 10 0 "[ . 1]"
3 140 ASP 0.011 0.010 2 0 "[ . 1]"
3 141 ALA 0.614 0.150 9 0 "[ . 1]"
3 142 VAL 0.799 0.149 10 0 "[ . 1]"
3 143 ASP 0.217 0.104 10 0 "[ . 1]"
3 144 ARG 1.154 0.103 10 0 "[ . 1]"
3 145 VAL 2.800 0.259 6 0 "[ . 1]"
3 146 CYS 0.000 0.000 . 0 "[ . 1]"
3 147 GLN 1.090 0.170 9 0 "[ . 1]"
3 148 ASN 0.666 0.199 3 0 "[ . 1]"
3 149 LYS 0.920 0.160 3 0 "[ . 1]"
3 150 PHE 1.730 0.210 10 0 "[ . 1]"
3 151 ILE 1.069 0.137 3 0 "[ . 1]"
3 152 ASP 0.192 0.069 2 0 "[ . 1]"
3 153 PHE 5.820 0.247 5 0 "[ . 1]"
3 154 LYS 2.646 0.332 10 0 "[ . 1]"
3 155 ASP 0.667 0.147 8 0 "[ . 1]"
3 156 ARG 0.388 0.079 5 0 "[ . 1]"
3 157 LYS 0.467 0.097 7 0 "[ . 1]"
3 158 ILE 0.537 0.112 1 0 "[ . 1]"
3 159 GLU 0.873 0.210 10 0 "[ . 1]"
3 160 ILE 0.915 0.160 10 0 "[ . 1]"
3 161 LYS 0.000 0.000 . 0 "[ . 1]"
3 162 ARG 0.095 0.060 10 0 "[ . 1]"
3 163 ALA 0.434 0.083 2 0 "[ . 1]"
3 164 GLU 0.823 0.297 8 0 "[ . 1]"
3 165 PRO 0.000 0.000 . 0 "[ . 1]"
3 166 ARG 0.116 0.066 2 0 "[ . 1]"
3 167 HIS 0.116 0.066 2 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 2 82 SER HB2 2 83 ASN H 4.500 . 5.250 3.969 2.501 4.652 . 0 0 "[ . 1]" 1
2 2 82 SER HB3 2 83 ASN H 4.500 . 5.250 3.885 2.615 4.557 . 0 0 "[ . 1]" 1
3 2 80 TYR H 2 81 SER HB3 4.500 . 5.250 4.936 3.717 5.509 0.259 6 0 "[ . 1]" 1
4 2 81 SER HB3 2 82 SER H 5.500 . 6.500 4.133 2.986 4.666 . 0 0 "[ . 1]" 1
5 2 59 SER H 2 60 ALA MB 3.500 . 4.200 4.336 4.299 4.383 0.183 5 0 "[ . 1]" 1
6 2 45 SER HA 2 46 LYS H 2.800 . 3.100 2.317 2.114 2.798 . 0 0 "[ . 1]" 1
7 2 12 ILE H 2 12 ILE HB 3.500 . 4.200 2.805 2.468 3.064 . 0 0 "[ . 1]" 1
8 2 4 SER H 2 4 SER HB2 3.500 . 4.200 3.484 2.833 4.007 . 0 0 "[ . 1]" 1
9 2 4 SER HB3 2 5 ARG H 3.500 . 4.200 3.773 3.246 4.262 0.062 4 0 "[ . 1]" 1
10 2 4 SER HB2 2 5 ARG H 3.500 . 4.200 3.701 3.162 4.224 0.024 3 0 "[ . 1]" 1
11 2 7 VAL HB 2 8 TYR H 3.500 . 4.200 3.905 3.698 4.226 0.026 4 0 "[ . 1]" 1
12 2 31 VAL HA 2 33 ASN H 4.500 . 5.250 4.728 4.371 5.126 . 0 0 "[ . 1]" 1
13 2 17 THR H 2 21 ILE MD 4.500 . 5.250 4.922 3.652 5.308 0.058 4 0 "[ . 1]" 1
14 2 21 ILE MD 2 24 LEU H 5.500 . 6.500 4.641 4.196 5.160 . 0 0 "[ . 1]" 1
15 2 32 ILE MD 2 33 ASN H 4.500 . 5.250 4.531 4.410 4.650 . 0 0 "[ . 1]" 1
16 2 32 ILE MD 2 54 ARG H 3.500 . 4.200 3.916 3.596 4.051 . 0 0 "[ . 1]" 1
17 2 32 ILE H 2 32 ILE MD 4.500 . 5.250 3.714 3.120 4.875 . 0 0 "[ . 1]" 1
18 2 32 ILE MD 2 53 PHE H 5.500 . 6.500 6.081 5.736 6.564 0.064 9 0 "[ . 1]" 1
19 2 32 ILE MD 2 53 PHE HA 4.500 . 5.250 4.493 4.322 4.613 . 0 0 "[ . 1]" 1
20 2 32 ILE HA 2 32 ILE MD 3.500 . 4.200 2.205 2.019 3.400 . 0 0 "[ . 1]" 1
21 2 32 ILE MD 2 54 ARG QD 3.500 . 4.200 3.507 2.002 4.294 0.094 8 0 "[ . 1]" 1
22 2 12 ILE MD 2 48 TYR HA 3.500 . 4.200 3.646 2.809 4.142 . 0 0 "[ . 1]" 1
23 2 12 ILE MD 2 72 GLY HA3 5.500 . 6.500 4.451 3.723 5.051 . 0 0 "[ . 1]" 1
24 2 12 ILE MD 2 49 ALA HA 5.500 . 6.500 5.998 5.142 6.415 . 0 0 "[ . 1]" 1
25 2 12 ILE MD 2 48 TYR HB2 5.500 . 6.500 5.924 5.121 6.532 0.032 2 0 "[ . 1]" 1
26 2 12 ILE MD 2 49 ALA H 3.500 . 4.200 3.846 3.011 4.280 0.080 3 0 "[ . 1]" 1
27 2 10 GLY H 2 12 ILE MD 4.500 . 5.250 2.507 1.796 2.952 0.004 2 0 "[ . 1]" 1
28 2 36 MET ME 2 49 ALA MB 3.300 . 3.800 2.224 2.128 2.497 . 0 0 "[ . 1]" 1
29 2 12 ILE MG 2 36 MET ME 2.800 . 3.100 2.816 1.973 3.166 0.066 5 0 "[ . 1]" 1
30 2 21 ILE MG 2 36 MET ME 3.500 . 4.200 4.103 3.907 4.289 0.089 5 0 "[ . 1]" 1
31 2 21 ILE MD 2 36 MET ME 2.800 . 3.100 3.035 2.165 3.204 0.104 7 0 "[ . 1]" 1
32 2 37 MET HB2 2 37 MET ME 3.500 . 4.200 3.375 2.163 4.209 0.009 9 0 "[ . 1]" 1
33 2 37 MET HB3 2 37 MET ME 3.500 . 4.200 3.388 2.914 4.196 . 0 0 "[ . 1]" 1
34 2 37 MET HA 2 37 MET ME 4.500 . 5.250 4.680 4.295 5.153 . 0 0 "[ . 1]" 1
35 2 18 GLU HA 2 36 MET ME 4.500 . 5.250 4.464 3.960 4.699 . 0 0 "[ . 1]" 1
36 2 36 MET HA 2 36 MET ME 3.500 . 4.200 3.589 3.390 3.790 . 0 0 "[ . 1]" 1
37 2 17 THR HA 2 36 MET ME 5.500 . 6.500 2.257 2.139 2.444 . 0 0 "[ . 1]" 1
38 2 36 MET ME 2 38 PHE QE 3.500 . 4.200 4.154 3.842 4.319 0.119 7 0 "[ . 1]" 1
39 2 16 GLN H 2 36 MET ME 4.500 . 5.250 4.927 4.729 5.143 . 0 0 "[ . 1]" 1
40 2 36 MET ME 2 37 MET H 3.500 . 4.200 3.900 3.521 4.219 0.019 3 0 "[ . 1]" 1
41 2 21 ILE H 2 36 MET ME 4.500 . 5.250 4.853 4.471 5.260 0.010 7 0 "[ . 1]" 1
42 2 37 MET ME 2 38 PHE H 4.500 . 5.250 4.494 3.344 5.358 0.108 4 0 "[ . 1]" 1
43 2 17 THR H 2 36 MET ME 5.500 . 6.500 4.652 4.456 4.869 . 0 0 "[ . 1]" 1
44 2 34 LEU HB3 2 51 ILE HA 4.500 . 5.250 5.141 5.024 5.257 0.007 5 0 "[ . 1]" 1
45 2 34 LEU HB2 2 51 ILE HA 4.500 . 5.250 4.064 3.906 4.211 . 0 0 "[ . 1]" 1
46 2 6 VAL H 2 7 VAL HA 4.500 . 5.250 4.822 4.687 4.927 . 0 0 "[ . 1]" 1
47 2 7 VAL HA 2 7 VAL MG1 3.500 . 4.200 2.600 2.212 3.202 . 0 0 "[ . 1]" 1
48 2 6 VAL MG2 2 79 GLY HA2 5.500 . 6.500 5.321 3.855 6.132 . 0 0 "[ . 1]" 1
49 2 6 VAL MG1 2 79 GLY HA3 5.500 . 6.500 3.734 2.173 5.175 . 0 0 "[ . 1]" 1
50 2 21 ILE HA 2 24 LEU HB2 4.500 . 5.250 3.452 2.931 4.850 . 0 0 "[ . 1]" 1
51 2 51 ILE HB 2 53 PHE QD 3.500 . 4.200 4.271 4.119 4.427 0.227 7 0 "[ . 1]" 1
52 2 51 ILE HB 2 52 GLU H 3.500 . 4.200 4.244 3.751 4.389 0.189 9 0 "[ . 1]" 1
53 2 12 ILE HB 2 47 GLY HA3 3.500 . 4.200 3.391 2.858 4.312 0.112 7 0 "[ . 1]" 1
54 2 10 GLY HA3 2 48 TYR HA 4.500 . 5.250 4.179 3.788 4.776 . 0 0 "[ . 1]" 1
55 2 10 GLY HA2 2 48 TYR HA 3.500 . 4.200 2.573 2.282 3.529 . 0 0 "[ . 1]" 1
56 2 10 GLY HA3 2 12 ILE MD 3.500 . 4.200 3.644 3.441 3.938 . 0 0 "[ . 1]" 1
57 2 10 GLY HA2 2 12 ILE MD 3.500 . 4.200 3.255 2.559 4.058 . 0 0 "[ . 1]" 1
58 2 10 GLY HA3 2 48 TYR HB2 5.500 . 6.500 5.975 4.997 6.619 0.119 9 0 "[ . 1]" 1
59 2 10 GLY HA3 2 48 TYR QE 5.500 . 6.500 3.005 2.243 5.855 . 0 0 "[ . 1]" 1
60 2 10 GLY HA2 2 48 TYR QE 3.500 . 4.200 3.125 2.767 4.299 0.099 10 0 "[ . 1]" 1
61 2 10 GLY HA2 2 49 ALA H 3.500 . 4.200 3.871 3.678 4.286 0.086 10 0 "[ . 1]" 1
62 2 68 GLY HA2 2 75 PHE HB3 3.500 . 4.200 2.271 2.157 2.476 . 0 0 "[ . 1]" 1
63 2 68 GLY HA3 2 75 PHE HB3 5.500 . 6.500 2.735 2.266 3.338 . 0 0 "[ . 1]" 1
64 2 68 GLY HA2 2 75 PHE HB2 3.500 . 4.200 2.766 2.600 3.441 . 0 0 "[ . 1]" 1
65 2 14 TYR QE 2 47 GLY HA2 3.500 . 4.200 3.967 3.505 4.238 0.038 5 0 "[ . 1]" 1
66 2 14 TYR QE 2 47 GLY HA3 3.500 . 4.200 4.260 4.054 4.691 0.491 7 0 "[ . 1]" 1
67 2 12 ILE HB 2 47 GLY HA2 4.500 . 5.250 4.529 4.093 5.253 0.003 5 0 "[ . 1]" 1
68 2 71 LEU HA 2 72 GLY HA3 4.500 . 5.250 4.493 4.443 4.543 . 0 0 "[ . 1]" 1
69 2 71 LEU HA 2 72 GLY HA2 4.500 . 5.250 4.475 4.460 4.494 . 0 0 "[ . 1]" 1
70 2 72 GLY HA3 2 74 ARG H 4.500 . 5.250 3.197 3.056 3.334 . 0 0 "[ . 1]" 1
71 2 72 GLY HA2 2 74 ARG H 4.500 . 5.250 4.352 4.207 4.579 . 0 0 "[ . 1]" 1
72 2 3 PRO HD2 2 56 LEU MD1 5.500 . 6.500 3.785 2.933 4.879 . 0 0 "[ . 1]" 1
73 2 3 PRO HD3 2 56 LEU MD1 5.500 . 6.500 5.064 4.299 6.006 . 0 0 "[ . 1]" 1
74 2 2 PRO HB2 2 3 PRO HD2 3.500 . 4.200 2.692 2.269 3.254 . 0 0 "[ . 1]" 1
75 2 2 PRO HB2 2 3 PRO HD3 3.500 . 4.200 3.793 3.096 4.214 0.014 4 0 "[ . 1]" 1
76 2 39 ASP HA 2 40 PRO HD2 2.800 . 3.100 2.333 2.167 2.589 . 0 0 "[ . 1]" 1
77 2 39 ASP HA 2 40 PRO HD3 2.800 . 3.100 2.682 2.183 3.110 0.010 1 0 "[ . 1]" 1
78 2 39 ASP H 2 40 PRO HD3 4.500 . 5.250 3.669 3.190 4.089 . 0 0 "[ . 1]" 1
79 2 62 ALA HA 2 65 ASN HB2 3.500 . 4.200 2.929 2.475 4.265 0.065 2 0 "[ . 1]" 1
80 2 62 ALA HA 2 66 LEU HG 4.500 . 5.250 3.405 2.629 5.076 . 0 0 "[ . 1]" 1
81 2 28 VAL MG1 2 62 ALA HA 3.500 . 4.200 2.273 2.065 2.488 . 0 0 "[ . 1]" 1
82 2 62 ALA HA 2 66 LEU MD2 4.500 . 5.250 4.050 2.178 4.948 . 0 0 "[ . 1]" 1
83 2 62 ALA HA 2 66 LEU MD1 4.500 . 5.250 3.504 2.207 4.883 . 0 0 "[ . 1]" 1
84 2 42 THR HB 2 44 ARG QD 4.500 . 5.250 3.594 2.737 4.632 . 0 0 "[ . 1]" 1
85 2 42 THR HB 2 44 ARG QG 3.500 . 4.200 2.698 2.213 4.117 . 0 0 "[ . 1]" 1
86 2 42 THR HB 2 44 ARG H 4.500 . 5.250 3.457 2.680 5.087 . 0 0 "[ . 1]" 1
87 2 63 VAL HA 2 63 VAL MG1 2.800 . 3.100 2.564 2.226 3.108 0.008 5 0 "[ . 1]" 1
88 2 63 VAL HA 2 63 VAL MG2 2.800 . 3.100 2.397 2.111 3.183 0.083 10 0 "[ . 1]" 1
89 2 63 VAL HA 2 66 LEU H 4.500 . 5.250 3.702 3.379 4.424 . 0 0 "[ . 1]" 1
90 2 48 TYR HA 2 49 ALA H 3.500 . 4.200 2.209 2.174 2.244 . 0 0 "[ . 1]" 1
91 2 8 TYR QD 2 50 PHE HA 4.500 . 5.250 3.676 3.079 5.020 . 0 0 "[ . 1]" 1
92 2 7 VAL HB 2 53 PHE QE 3.500 . 4.200 4.093 3.856 4.410 0.210 7 0 "[ . 1]" 1
93 2 22 LEU HA 2 22 LEU QD 3.500 . 4.200 2.354 2.004 3.018 . 0 0 "[ . 1]" 1
94 2 22 LEU HA 2 23 ASP HA 4.500 . 5.250 4.557 4.441 4.915 . 0 0 "[ . 1]" 1
95 2 22 LEU HA 2 22 LEU HG 3.500 . 4.200 2.959 2.273 3.679 . 0 0 "[ . 1]" 1
96 2 21 ILE HB 2 34 LEU MD2 4.500 . 5.250 2.807 2.431 3.155 . 0 0 "[ . 1]" 1
97 2 21 ILE HA 2 34 LEU MD2 4.500 . 5.250 4.960 4.389 5.335 0.085 1 0 "[ . 1]" 1
98 2 34 LEU MD1 2 51 ILE MG 4.500 . 5.250 2.604 2.130 3.225 . 0 0 "[ . 1]" 1
99 2 21 ILE HB 2 34 LEU MD1 4.500 . 5.250 2.852 2.578 3.162 . 0 0 "[ . 1]" 1
100 2 21 ILE HA 2 34 LEU MD1 4.500 . 5.250 4.834 4.378 5.193 . 0 0 "[ . 1]" 1
101 2 32 ILE HG12 2 33 ASN H 4.500 . 5.250 4.216 3.937 4.770 . 0 0 "[ . 1]" 1
102 2 32 ILE HG12 2 54 ARG H 3.500 . 4.200 3.046 2.715 4.358 0.158 2 0 "[ . 1]" 1
103 2 32 ILE H 2 32 ILE HG12 3.500 . 4.200 2.812 2.218 4.070 . 0 0 "[ . 1]" 1
104 2 32 ILE HA 2 32 ILE MG 2.800 . 3.100 2.346 2.233 2.619 . 0 0 "[ . 1]" 1
105 2 32 ILE MG 2 54 ARG H 5.500 . 6.500 5.477 5.184 5.637 . 0 0 "[ . 1]" 1
106 2 51 ILE MD 2 51 ILE MG 3.300 . 3.800 3.130 2.969 3.227 . 0 0 "[ . 1]" 1
107 2 51 ILE HB 2 51 ILE MD 2.800 . 3.100 2.161 2.128 2.190 . 0 0 "[ . 1]" 1
108 2 8 TYR HA 2 51 ILE MD 3.500 . 4.200 3.366 2.434 4.130 . 0 0 "[ . 1]" 1
109 2 50 PHE HA 2 51 ILE MD 3.500 . 4.200 2.726 2.399 3.228 . 0 0 "[ . 1]" 1
110 2 50 PHE QD 2 51 ILE MD 4.500 . 5.250 4.188 3.737 5.038 . 0 0 "[ . 1]" 1
111 2 9 LEU H 2 51 ILE MD 4.500 . 5.250 3.264 2.848 3.692 . 0 0 "[ . 1]" 1
112 2 50 PHE H 2 51 ILE MD 4.500 . 5.250 3.923 3.292 4.528 . 0 0 "[ . 1]" 1
113 2 49 ALA H 2 51 ILE MD 4.500 . 5.250 4.477 4.087 4.902 . 0 0 "[ . 1]" 1
114 2 51 ILE MD 2 52 GLU H 5.500 . 6.500 4.967 4.814 5.162 . 0 0 "[ . 1]" 1
115 2 8 TYR H 2 51 ILE MD 4.500 . 5.250 4.440 4.119 4.725 . 0 0 "[ . 1]" 1
116 2 51 ILE H 2 51 ILE MD 3.300 . 3.800 1.871 1.742 2.246 0.058 10 0 "[ . 1]" 1
117 2 35 LYS H 2 51 ILE MD 4.500 . 5.250 4.392 3.945 4.679 . 0 0 "[ . 1]" 1
118 2 7 VAL H 2 51 ILE MD 4.500 . 5.250 3.676 3.283 4.065 . 0 0 "[ . 1]" 1
119 2 21 ILE MG 2 22 LEU H 3.300 . 3.800 3.233 2.590 3.441 . 0 0 "[ . 1]" 1
120 2 21 ILE MG 2 25 CYS H 3.500 . 4.200 3.483 3.145 3.954 . 0 0 "[ . 1]" 1
121 2 21 ILE H 2 21 ILE MG 3.300 . 3.800 3.788 3.684 3.833 0.033 9 0 "[ . 1]" 1
122 2 21 ILE MG 2 24 LEU H 4.500 . 5.250 4.457 4.127 5.350 0.100 2 0 "[ . 1]" 1
123 2 21 ILE MG 2 25 CYS HB3 4.500 . 5.250 4.148 3.423 4.541 . 0 0 "[ . 1]" 1
124 2 21 ILE HG13 2 21 ILE MG 3.300 . 3.800 2.344 2.118 2.623 . 0 0 "[ . 1]" 1
125 2 21 ILE HG12 2 21 ILE MG 3.300 . 3.800 3.069 2.215 3.198 . 0 0 "[ . 1]" 1
126 2 32 ILE H 2 51 ILE MG 4.500 . 5.250 4.073 3.585 4.461 . 0 0 "[ . 1]" 1
127 2 33 ASN HB2 2 51 ILE MG 4.500 . 5.250 4.982 4.680 5.139 . 0 0 "[ . 1]" 1
128 2 34 LEU MD2 2 51 ILE MG 4.500 . 5.250 3.603 3.345 4.168 . 0 0 "[ . 1]" 1
129 2 51 ILE QG 2 51 ILE MG 2.800 . 3.100 2.035 1.941 2.103 . 0 0 "[ . 1]" 1
130 2 63 VAL MG2 2 67 ASN H 5.500 . 6.500 5.396 4.123 6.156 . 0 0 "[ . 1]" 1
131 2 31 VAL MG1 2 52 GLU H 5.500 . 6.500 4.216 2.725 5.851 . 0 0 "[ . 1]" 1
132 2 31 VAL MG1 2 53 PHE HA 4.500 . 5.250 3.246 2.228 4.501 . 0 0 "[ . 1]" 1
133 2 31 VAL HA 2 31 VAL MG2 3.300 . 3.800 2.690 2.121 3.130 . 0 0 "[ . 1]" 1
134 2 31 VAL MG2 2 51 ILE MG 3.300 . 3.800 2.833 2.266 3.450 . 0 0 "[ . 1]" 1
135 2 31 VAL MG2 2 34 LEU HB2 4.500 . 5.250 4.037 2.228 5.308 0.058 1 0 "[ . 1]" 1
136 2 31 VAL MG2 2 32 ILE H 3.500 . 4.200 3.484 2.499 4.195 . 0 0 "[ . 1]" 1
137 2 31 VAL H 2 31 VAL MG2 3.500 . 4.200 2.541 1.719 3.308 0.081 7 0 "[ . 1]" 1
138 2 31 VAL MG1 2 34 LEU HB2 4.500 . 5.250 3.752 3.140 4.597 . 0 0 "[ . 1]" 1
139 2 31 VAL MG1 2 51 ILE MG 3.500 . 4.200 2.076 1.806 2.876 . 0 0 "[ . 1]" 1
140 2 28 VAL MG2 2 62 ALA HA 3.500 . 4.200 2.669 2.332 3.259 . 0 0 "[ . 1]" 1
141 2 28 VAL MG2 2 65 ASN HD21 4.500 . 5.250 3.493 1.916 5.300 0.050 2 0 "[ . 1]" 1
142 2 28 VAL H 2 28 VAL MG2 3.300 . 3.800 3.575 2.478 3.978 0.178 1 0 "[ . 1]" 1
143 2 28 VAL MG2 2 65 ASN H 5.500 . 6.500 4.750 4.023 5.313 . 0 0 "[ . 1]" 1
144 2 24 LEU HA 2 24 LEU MD2 3.500 . 4.200 2.547 2.007 3.899 . 0 0 "[ . 1]" 1
145 2 35 LYS H 2 49 ALA MB 4.500 . 5.250 3.564 3.393 3.863 . 0 0 "[ . 1]" 1
146 2 37 MET H 2 49 ALA MB 3.300 . 3.800 3.293 2.991 3.585 . 0 0 "[ . 1]" 1
147 2 53 PHE HZ 2 62 ALA MB 4.500 . 5.250 2.791 2.471 2.970 . 0 0 "[ . 1]" 1
148 2 59 SER HA 2 62 ALA MB 3.500 . 4.200 2.639 2.390 2.966 . 0 0 "[ . 1]" 1
149 2 17 THR HA 2 17 THR MG 2.800 . 3.100 2.428 2.254 3.168 0.068 8 0 "[ . 1]" 1
150 2 17 THR MG 2 20 GLN H 4.500 . 5.250 4.780 3.083 5.110 . 0 0 "[ . 1]" 1
151 2 42 THR HA 2 42 THR MG 2.800 . 3.100 2.554 2.226 3.152 0.052 10 0 "[ . 1]" 1
152 2 39 ASP HA 2 42 THR MG 3.500 . 4.200 3.821 2.870 4.259 0.059 5 0 "[ . 1]" 1
153 2 42 THR H 2 42 THR MG 2.800 . 3.100 1.942 1.774 2.176 0.026 6 0 "[ . 1]" 1
154 2 42 THR MG 2 43 GLY H 3.300 . 3.800 3.287 1.851 3.865 0.065 2 0 "[ . 1]" 1
155 2 25 CYS HB2 2 53 PHE HZ 3.500 . 4.200 3.781 2.420 4.215 0.015 3 0 "[ . 1]" 1
156 2 25 CYS HB3 2 53 PHE HZ 3.500 . 4.200 2.898 2.290 4.167 . 0 0 "[ . 1]" 1
157 2 25 CYS HB2 2 51 ILE MG 4.500 . 5.250 3.154 2.697 3.838 . 0 0 "[ . 1]" 1
158 2 25 CYS HB3 2 51 ILE MG 4.500 . 5.250 3.083 2.735 3.592 . 0 0 "[ . 1]" 1
159 2 25 CYS HB2 2 31 VAL MG1 4.500 . 5.250 3.829 2.904 4.662 . 0 0 "[ . 1]" 1
160 2 21 ILE MG 2 25 CYS HB2 4.500 . 5.250 3.426 2.662 4.387 . 0 0 "[ . 1]" 1
161 2 25 CYS HB3 2 31 VAL MG1 4.500 . 5.250 3.780 2.273 5.206 . 0 0 "[ . 1]" 1
162 2 25 CYS HB3 2 31 VAL MG2 4.500 . 5.250 4.201 2.899 5.138 . 0 0 "[ . 1]" 1
163 2 25 CYS HB2 2 31 VAL MG2 4.500 . 5.250 4.007 2.952 5.093 . 0 0 "[ . 1]" 1
164 2 53 PHE HB3 2 58 SER HB2 5.500 . 6.500 2.640 2.194 4.295 . 0 0 "[ . 1]" 1
165 2 12 ILE HA 2 12 ILE MD 3.500 . 4.200 3.295 2.571 3.480 . 0 0 "[ . 1]" 1
166 2 12 ILE HA 2 12 ILE MG 3.300 . 3.800 2.427 2.203 2.725 . 0 0 "[ . 1]" 1
167 2 37 MET HB2 2 38 PHE H 4.500 . 5.250 3.669 2.390 4.127 . 0 0 "[ . 1]" 1
168 2 32 ILE MG 2 33 ASN HB3 4.500 . 5.250 4.343 4.104 4.689 . 0 0 "[ . 1]" 1
169 2 33 ASN HB2 2 52 GLU HB2 4.500 . 5.250 2.525 2.162 2.872 . 0 0 "[ . 1]" 1
170 2 33 ASN HB2 2 52 GLU HB3 4.500 . 5.250 2.825 2.194 3.766 . 0 0 "[ . 1]" 1
171 2 33 ASN HB3 2 52 GLU HB2 4.500 . 5.250 4.163 3.834 4.508 . 0 0 "[ . 1]" 1
172 2 33 ASN HB3 2 52 GLU HB3 4.500 . 5.250 4.505 3.850 5.399 0.149 10 0 "[ . 1]" 1
173 2 50 PHE HB2 2 51 ILE H 4.500 . 5.250 4.236 4.054 4.411 . 0 0 "[ . 1]" 1
174 2 35 LYS H 2 35 LYS QB 3.500 . 4.200 2.727 2.667 2.792 . 0 0 "[ . 1]" 1
175 2 25 CYS HA 2 53 PHE QE 4.500 . 5.250 4.346 4.056 4.906 . 0 0 "[ . 1]" 1
176 2 25 CYS HA 2 66 LEU MD2 4.500 . 5.250 3.570 2.171 4.223 . 0 0 "[ . 1]" 1
177 2 25 CYS HA 2 66 LEU MD1 4.500 . 5.250 2.482 2.170 3.326 . 0 0 "[ . 1]" 1
178 2 17 THR H 2 20 GLN HB3 4.500 . 5.250 4.306 3.188 4.834 . 0 0 "[ . 1]" 1
179 2 12 ILE MG 2 16 GLN HB2 3.500 . 4.200 3.295 2.002 4.265 0.065 7 0 "[ . 1]" 1
180 2 12 ILE MG 2 16 GLN HB3 4.500 . 5.250 4.368 3.145 5.014 . 0 0 "[ . 1]" 1
181 2 70 GLN HB2 2 75 PHE QE 4.500 . 5.250 4.496 3.974 5.050 . 0 0 "[ . 1]" 1
182 2 9 LEU H 2 12 ILE MD 4.500 . 5.250 4.466 3.963 4.859 . 0 0 "[ . 1]" 1
183 2 12 ILE MD 2 12 ILE MG 2.800 . 3.100 3.097 2.916 3.202 0.102 10 0 "[ . 1]" 1
184 2 9 LEU HG 2 12 ILE MD 3.500 . 4.200 3.539 2.016 4.255 0.055 5 0 "[ . 1]" 1
185 2 12 ILE HB 2 12 ILE MD 2.800 . 3.100 2.138 2.089 2.194 . 0 0 "[ . 1]" 1
186 2 9 LEU HB2 2 12 ILE MD 3.500 . 4.200 3.317 2.173 3.637 . 0 0 "[ . 1]" 1
187 2 12 ILE MD 2 36 MET ME 3.500 . 4.200 3.792 3.002 4.262 0.062 6 0 "[ . 1]" 1
188 2 12 ILE MD 2 49 ALA MB 3.500 . 4.200 3.944 3.304 4.259 0.059 10 0 "[ . 1]" 1
189 2 9 LEU HB3 2 12 ILE MD 3.500 . 4.200 2.075 1.987 2.224 . 0 0 "[ . 1]" 1
190 2 56 LEU MD1 2 60 ALA MB 4.500 . 5.250 4.599 3.412 5.470 0.220 9 0 "[ . 1]" 1
191 2 56 LEU MD2 2 60 ALA MB 4.500 . 5.250 4.496 3.922 5.045 . 0 0 "[ . 1]" 1
192 2 60 ALA MB 2 63 VAL MG1 5.500 . 6.500 5.339 4.204 5.892 . 0 0 "[ . 1]" 1
193 2 60 ALA MB 2 63 VAL MG2 5.500 . 6.500 5.278 4.019 6.145 . 0 0 "[ . 1]" 1
194 2 32 ILE MG 2 33 ASN HB2 4.500 . 5.250 3.793 3.197 4.508 . 0 0 "[ . 1]" 1
195 2 67 ASN H 2 69 TYR HB3 4.500 . 5.250 4.994 3.758 5.348 0.098 3 0 "[ . 1]" 1
196 2 69 TYR HB3 2 76 LEU H 5.500 . 6.500 5.688 5.110 6.689 0.189 5 0 "[ . 1]" 1
197 2 66 LEU HA 2 69 TYR HB3 5.500 . 6.500 3.829 3.014 4.087 . 0 0 "[ . 1]" 1
198 2 66 LEU HA 2 69 TYR HB2 4.500 . 5.250 5.051 4.134 5.259 0.009 2 0 "[ . 1]" 1
199 2 15 ASP HB3 2 16 GLN H 4.500 . 5.250 3.552 2.550 3.749 . 0 0 "[ . 1]" 1
200 2 83 ASN H 2 83 ASN HB2 3.300 . 3.800 3.039 2.390 3.834 0.034 4 0 "[ . 1]" 1
201 2 83 ASN H 2 83 ASN HB3 3.300 . 3.800 3.000 2.609 3.807 0.007 3 0 "[ . 1]" 1
202 2 83 ASN HB2 2 84 SER H 4.500 . 5.250 3.888 2.260 4.504 . 0 0 "[ . 1]" 1
203 2 83 ASN HB3 2 84 SER H 4.500 . 5.250 3.398 2.031 4.369 . 0 0 "[ . 1]" 1
204 2 82 SER H 2 83 ASN HB2 5.500 . 6.500 5.386 3.829 6.524 0.024 8 0 "[ . 1]" 1
205 2 82 SER H 2 83 ASN HB3 5.500 . 6.500 5.690 4.460 6.501 0.001 3 0 "[ . 1]" 1
206 2 28 VAL MG1 2 65 ASN HB2 5.500 . 6.500 4.163 3.666 4.777 . 0 0 "[ . 1]" 1
207 2 65 ASN HB2 2 66 LEU MD2 4.500 . 5.250 3.583 2.148 5.359 0.109 4 0 "[ . 1]" 1
208 2 65 ASN HB2 2 66 LEU MD1 4.500 . 5.250 4.164 2.677 5.267 0.017 1 0 "[ . 1]" 1
209 2 65 ASN HB2 2 66 LEU HG 5.500 . 6.500 3.465 2.637 6.099 . 0 0 "[ . 1]" 1
210 2 28 VAL MG2 2 65 ASN HB2 5.500 . 6.500 3.302 2.264 4.063 . 0 0 "[ . 1]" 1
211 2 65 ASN HB3 2 66 LEU H 3.500 . 4.200 3.584 3.277 4.095 . 0 0 "[ . 1]" 1
212 2 48 TYR HB3 2 49 ALA H 4.500 . 5.250 3.528 3.194 4.426 . 0 0 "[ . 1]" 1
213 2 48 TYR HB2 2 49 ALA H 4.500 . 5.250 4.394 4.070 4.480 . 0 0 "[ . 1]" 1
214 2 53 PHE HB2 2 55 ASP H 4.500 . 5.250 3.773 3.517 3.954 . 0 0 "[ . 1]" 1
215 2 53 PHE HB2 2 55 ASP HA 5.500 . 6.500 4.964 4.851 5.083 . 0 0 "[ . 1]" 1
216 2 53 PHE HB3 2 55 ASP HA 5.500 . 6.500 4.877 4.709 5.345 . 0 0 "[ . 1]" 1
217 2 55 ASP HB2 2 56 LEU H 3.500 . 4.200 3.673 3.575 3.833 . 0 0 "[ . 1]" 1
218 2 55 ASP HB3 2 56 LEU H 3.500 . 4.200 2.270 2.055 2.956 . 0 0 "[ . 1]" 1
219 2 61 SER HA 2 65 ASN H 4.500 . 5.250 3.836 3.548 4.245 . 0 0 "[ . 1]" 1
220 2 57 GLU HA 2 60 ALA H 4.500 . 5.250 3.664 3.549 3.764 . 0 0 "[ . 1]" 1
221 2 18 GLU HA 2 21 ILE H 3.500 . 4.200 3.830 3.579 4.085 . 0 0 "[ . 1]" 1
222 2 18 GLU HA 2 22 LEU H 3.500 . 4.200 3.326 3.059 3.640 . 0 0 "[ . 1]" 1
223 2 19 GLU HA 2 22 LEU H 3.500 . 4.200 4.007 3.863 4.144 . 0 0 "[ . 1]" 1
224 2 18 GLU HA 2 35 LYS HA 5.500 . 6.500 6.290 5.791 6.623 0.123 5 0 "[ . 1]" 1
225 2 57 GLU HA 2 60 ALA MB 3.500 . 4.200 2.796 2.577 2.890 . 0 0 "[ . 1]" 1
226 2 60 ALA MB 2 61 SER HA 4.500 . 5.250 3.614 3.580 3.666 . 0 0 "[ . 1]" 1
227 2 19 GLU HA 2 19 GLU QG 2.800 . 3.100 2.394 2.340 2.714 . 0 0 "[ . 1]" 1
228 2 18 GLU HA 2 18 GLU HB2 2.800 . 3.100 2.390 2.288 2.503 . 0 0 "[ . 1]" 1
229 2 61 SER HA 2 64 ARG QB 3.300 . 3.800 3.007 2.736 3.213 . 0 0 "[ . 1]" 1
230 2 54 ARG HA 2 54 ARG QD 4.500 . 5.250 3.466 2.215 4.159 . 0 0 "[ . 1]" 1
231 2 50 PHE HA 2 51 ILE H 2.800 . 3.100 2.154 2.084 2.221 . 0 0 "[ . 1]" 1
232 2 8 TYR HA 2 50 PHE HA 4.500 . 5.250 2.883 2.581 3.054 . 0 0 "[ . 1]" 1
233 2 50 PHE HA 2 51 ILE HA 4.500 . 5.250 4.446 4.406 4.484 . 0 0 "[ . 1]" 1
234 2 6 VAL HA 2 7 VAL H 2.800 . 3.100 2.423 2.300 2.492 . 0 0 "[ . 1]" 1
235 2 39 ASP H 2 45 SER HA 5.500 . 6.500 5.052 4.364 5.330 . 0 0 "[ . 1]" 1
236 2 60 ALA HA 2 64 ARG QB 4.500 . 5.250 4.046 3.431 4.510 . 0 0 "[ . 1]" 1
237 2 70 GLN HA 2 70 GLN QG 3.500 . 4.200 2.439 2.203 2.701 . 0 0 "[ . 1]" 1
238 2 76 LEU HA 2 76 LEU MD2 4.500 . 5.250 3.595 3.064 3.967 . 0 0 "[ . 1]" 1
239 2 12 ILE MG 2 16 GLN HA 4.500 . 5.250 4.870 4.294 5.255 0.005 3 0 "[ . 1]" 1
240 2 66 LEU HA 2 76 LEU HG 5.500 . 6.500 6.130 5.216 6.572 0.072 5 0 "[ . 1]" 1
241 2 66 LEU HA 2 66 LEU HG 3.300 . 3.800 3.164 2.612 3.671 . 0 0 "[ . 1]" 1
242 2 31 VAL HA 2 31 VAL MG1 3.300 . 3.800 2.406 2.099 2.954 . 0 0 "[ . 1]" 1
243 2 21 ILE HA 2 24 LEU HB3 3.300 . 3.800 2.535 2.222 3.740 . 0 0 "[ . 1]" 1
244 2 53 PHE HB2 2 59 SER HA 3.500 . 4.200 3.008 2.632 3.281 . 0 0 "[ . 1]" 1
245 2 25 CYS HA 2 27 ASN H 3.500 . 4.200 3.647 3.511 3.955 . 0 0 "[ . 1]" 1
246 2 25 CYS HA 2 28 VAL H 5.500 . 6.500 5.674 3.186 6.614 0.114 9 0 "[ . 1]" 1
247 2 80 TYR H 2 81 SER HB2 5.500 . 6.500 4.674 3.795 6.241 . 0 0 "[ . 1]" 1
248 2 36 MET HB2 2 49 ALA MB 4.500 . 5.250 3.111 2.471 3.666 . 0 0 "[ . 1]" 1
249 2 36 MET HB3 2 49 ALA MB 4.500 . 5.250 4.127 3.754 4.419 . 0 0 "[ . 1]" 1
250 2 6 VAL HA 2 52 GLU HA 2.800 . 3.100 2.186 2.063 2.302 . 0 0 "[ . 1]" 1
251 2 6 VAL HA 2 6 VAL MG2 3.500 . 4.200 2.571 2.307 3.179 . 0 0 "[ . 1]" 1
252 2 57 GLU H 2 60 ALA MB 4.500 . 5.250 4.350 4.268 4.386 . 0 0 "[ . 1]" 1
253 2 22 LEU H 2 22 LEU QD 4.500 . 5.250 3.711 3.634 3.786 . 0 0 "[ . 1]" 1
254 2 8 TYR H 2 8 TYR HB2 3.500 . 4.200 2.692 2.307 3.575 . 0 0 "[ . 1]" 1
255 2 16 GLN HB3 2 21 ILE MD 3.300 . 3.800 3.731 2.179 4.017 0.217 7 0 "[ . 1]" 1
256 2 21 ILE MD 2 49 ALA MB 3.500 . 4.200 3.838 3.295 4.139 . 0 0 "[ . 1]" 1
257 2 6 VAL MG1 2 79 GLY HA2 5.500 . 6.500 4.835 3.260 6.073 . 0 0 "[ . 1]" 1
258 2 57 GLU H 2 57 GLU HG3 4.500 . 5.250 3.331 2.072 4.520 . 0 0 "[ . 1]" 1
259 2 57 GLU H 2 57 GLU HG2 4.500 . 5.250 3.334 2.146 4.484 . 0 0 "[ . 1]" 1
260 2 28 VAL MG1 2 65 ASN HD21 4.500 . 5.250 4.465 3.390 5.334 0.084 2 0 "[ . 1]" 1
261 2 6 VAL H 2 6 VAL MG1 3.500 . 4.200 2.874 1.977 3.941 . 0 0 "[ . 1]" 1
262 2 6 VAL HA 2 6 VAL MG1 3.500 . 4.200 2.744 2.190 3.190 . 0 0 "[ . 1]" 1
263 2 36 MET ME 2 49 ALA H 4.500 . 5.250 4.280 3.901 4.788 . 0 0 "[ . 1]" 1
264 2 10 GLY HA2 2 48 TYR HB3 5.500 . 6.500 4.504 4.138 5.258 . 0 0 "[ . 1]" 1
265 2 48 TYR H 2 48 TYR HB2 3.500 . 4.200 2.519 2.202 3.262 . 0 0 "[ . 1]" 1
266 2 41 GLN H 2 42 THR H 2.800 . 3.100 2.581 2.023 2.833 . 0 0 "[ . 1]" 1
267 2 43 GLY H 2 44 ARG H 2.800 . 3.100 2.513 2.081 2.753 . 0 0 "[ . 1]" 1
268 2 42 THR H 2 43 GLY H 2.800 . 3.100 2.671 1.815 2.981 . 0 0 "[ . 1]" 1
269 2 46 LYS H 2 47 GLY H 3.500 . 4.200 2.852 2.420 3.654 . 0 0 "[ . 1]" 1
270 2 49 ALA MB 2 50 PHE H 3.300 . 3.800 2.883 2.572 2.998 . 0 0 "[ . 1]" 1
271 2 49 ALA HA 2 50 PHE H 3.300 . 3.800 2.255 2.184 2.366 . 0 0 "[ . 1]" 1
272 2 51 ILE H 2 52 GLU H 4.500 . 5.250 4.222 4.054 4.569 . 0 0 "[ . 1]" 1
273 2 51 ILE HA 2 52 GLU H 2.800 . 3.100 2.371 2.320 2.442 . 0 0 "[ . 1]" 1
274 2 52 GLU H 2 53 PHE H 4.500 . 5.250 4.487 4.306 4.558 . 0 0 "[ . 1]" 1
275 2 53 PHE HA 2 54 ARG H 3.500 . 4.200 2.518 2.433 2.588 . 0 0 "[ . 1]" 1
276 2 58 SER H 2 59 SER H 3.300 . 3.800 2.637 2.556 2.702 . 0 0 "[ . 1]" 1
277 2 57 GLU H 2 58 SER H 2.800 . 3.100 3.013 2.917 3.124 0.024 4 0 "[ . 1]" 1
278 2 58 SER H 2 60 ALA H 4.500 . 5.250 4.032 3.926 4.116 . 0 0 "[ . 1]" 1
279 2 59 SER H 2 60 ALA H 2.800 . 3.100 2.694 2.660 2.736 . 0 0 "[ . 1]" 1
280 2 60 ALA H 2 60 ALA MB 2.800 . 3.100 2.187 2.167 2.203 . 0 0 "[ . 1]" 1
281 2 61 SER H 2 62 ALA H 2.800 . 3.100 2.759 2.717 2.813 . 0 0 "[ . 1]" 1
282 2 60 ALA H 2 61 SER H 2.800 . 3.100 2.821 2.750 2.870 . 0 0 "[ . 1]" 1
283 2 60 ALA MB 2 61 SER H 2.800 . 3.100 2.116 2.039 2.174 . 0 0 "[ . 1]" 1
284 2 61 SER H 2 61 SER HA 2.800 . 3.100 2.864 2.854 2.873 . 0 0 "[ . 1]" 1
285 2 62 ALA H 2 63 VAL H 3.300 . 3.800 2.823 2.683 2.974 . 0 0 "[ . 1]" 1
286 2 60 ALA H 2 62 ALA H 3.500 . 4.200 4.005 3.934 4.104 . 0 0 "[ . 1]" 1
287 2 59 SER HA 2 62 ALA H 3.500 . 4.200 3.542 3.296 3.781 . 0 0 "[ . 1]" 1
288 2 62 ALA H 2 62 ALA MB 2.800 . 3.100 2.271 2.170 2.368 . 0 0 "[ . 1]" 1
289 2 63 VAL H 2 64 ARG H 2.800 . 3.100 2.886 2.821 2.933 . 0 0 "[ . 1]" 1
290 2 54 ARG H 2 59 SER H 4.500 . 5.250 4.306 4.194 4.538 . 0 0 "[ . 1]" 1
291 2 62 ALA MB 2 63 VAL H 2.800 . 3.100 2.103 1.985 2.242 . 0 0 "[ . 1]" 1
292 2 63 VAL H 2 63 VAL HB 3.300 . 3.800 2.628 2.111 3.657 . 0 0 "[ . 1]" 1
293 2 60 ALA HA 2 63 VAL H 4.500 . 5.500 4.559 4.408 4.673 . 0 0 "[ . 1]" 1
294 2 64 ARG H 2 64 ARG HA 2.800 . 3.100 2.887 2.872 2.899 . 0 0 "[ . 1]" 1
295 2 63 VAL HB 2 64 ARG H 3.500 . 4.200 3.043 2.569 3.845 . 0 0 "[ . 1]" 1
296 2 64 ARG H 2 64 ARG QB 2.800 . 3.100 2.369 2.274 2.507 . 0 0 "[ . 1]" 1
297 2 65 ASN H 2 66 LEU H 2.800 . 3.100 2.608 2.476 2.747 . 0 0 "[ . 1]" 1
298 2 64 ARG H 2 65 ASN H 2.800 . 3.100 2.715 2.628 2.826 . 0 0 "[ . 1]" 1
299 2 62 ALA HA 2 65 ASN H 3.500 . 4.200 3.479 3.309 3.621 . 0 0 "[ . 1]" 1
300 2 65 ASN H 2 65 ASN HB2 2.800 . 3.100 2.556 2.402 3.317 0.217 2 0 "[ . 1]" 1
301 2 64 ARG QB 2 65 ASN H 2.800 . 3.100 2.390 2.181 2.509 . 0 0 "[ . 1]" 1
302 2 64 ARG H 2 66 LEU H 4.500 . 5.250 4.076 3.970 4.348 . 0 0 "[ . 1]" 1
303 2 65 ASN HB2 2 66 LEU H 3.300 . 3.800 2.536 2.066 2.885 . 0 0 "[ . 1]" 1
304 2 66 LEU H 2 67 ASN H 4.500 . 5.250 3.007 2.068 4.175 . 0 0 "[ . 1]" 1
305 2 65 ASN H 2 67 ASN H 5.500 . 6.500 4.367 3.692 6.320 . 0 0 "[ . 1]" 1
306 2 67 ASN H 2 68 GLY H 4.500 . 5.250 3.061 2.131 3.736 . 0 0 "[ . 1]" 1
307 2 65 ASN HA 2 67 ASN H 5.500 . 6.500 4.283 3.620 6.119 . 0 0 "[ . 1]" 1
308 2 67 ASN H 2 67 ASN HB3 3.300 . 3.800 3.157 2.361 3.481 . 0 0 "[ . 1]" 1
309 2 69 TYR H 2 70 GLN H 3.500 . 4.200 4.327 4.287 4.374 0.174 5 0 "[ . 1]" 1
310 2 67 ASN HA 2 69 TYR H 5.500 . 6.500 6.141 5.709 6.380 . 0 0 "[ . 1]" 1
311 2 69 TYR H 2 69 TYR HB3 2.800 . 3.100 2.827 2.627 3.288 0.188 5 0 "[ . 1]" 1
312 2 69 TYR H 2 69 TYR HB2 3.300 . 3.800 3.801 3.705 3.838 0.038 10 0 "[ . 1]" 1
313 2 69 TYR HA 2 70 GLN H 2.800 . 3.100 2.271 2.241 2.292 . 0 0 "[ . 1]" 1
314 2 69 TYR HB3 2 70 GLN H 4.500 . 5.250 4.262 3.916 4.402 . 0 0 "[ . 1]" 1
315 2 69 TYR HB2 2 70 GLN H 4.500 . 5.250 3.247 2.864 3.443 . 0 0 "[ . 1]" 1
316 2 70 GLN H 2 70 GLN HB2 3.300 . 3.800 2.361 2.216 2.468 . 0 0 "[ . 1]" 1
317 2 71 LEU H 2 72 GLY H 3.500 . 4.200 4.136 3.803 4.269 0.069 8 0 "[ . 1]" 1
318 2 70 GLN H 2 71 LEU H 4.500 . 5.250 4.163 4.114 4.237 . 0 0 "[ . 1]" 1
319 2 71 LEU H 2 74 ARG H 4.500 . 5.250 5.249 5.111 5.334 0.084 5 0 "[ . 1]" 1
320 2 70 GLN HA 2 71 LEU H 2.800 . 3.100 2.288 2.237 2.360 . 0 0 "[ . 1]" 1
321 2 71 LEU H 2 71 LEU HB3 3.500 . 4.200 2.971 2.843 3.303 . 0 0 "[ . 1]" 1
322 2 71 LEU H 2 71 LEU HB2 3.500 . 4.200 3.311 3.012 3.460 . 0 0 "[ . 1]" 1
323 2 70 GLN HB2 2 71 LEU H 4.500 . 5.250 4.627 4.573 4.668 . 0 0 "[ . 1]" 1
324 2 72 GLY H 2 73 SER H 4.500 . 5.250 4.675 4.586 4.726 . 0 0 "[ . 1]" 1
325 2 71 LEU HA 2 72 GLY H 2.800 . 3.100 2.213 2.193 2.240 . 0 0 "[ . 1]" 1
326 2 15 ASP H 2 15 ASP HB2 3.300 . 3.800 2.493 2.434 2.714 . 0 0 "[ . 1]" 1
327 2 15 ASP H 2 15 ASP HB3 3.300 . 3.800 3.494 2.395 3.639 . 0 0 "[ . 1]" 1
328 2 17 THR H 2 18 GLU H 4.500 . 5.250 4.118 3.980 4.271 . 0 0 "[ . 1]" 1
329 2 16 GLN H 2 17 THR H 4.500 . 5.250 4.180 4.084 4.231 . 0 0 "[ . 1]" 1
330 2 17 THR H 2 20 GLN H 3.500 . 4.200 2.979 2.908 3.162 . 0 0 "[ . 1]" 1
331 2 17 THR H 2 17 THR HB 3.500 . 4.200 3.656 2.974 3.761 . 0 0 "[ . 1]" 1
332 2 16 GLN HA 2 17 THR H 3.300 . 3.800 2.183 2.162 2.196 . 0 0 "[ . 1]" 1
333 2 17 THR H 2 20 GLN HB2 3.500 . 4.200 3.007 2.714 3.837 . 0 0 "[ . 1]" 1
334 2 17 THR H 2 20 GLN HG3 5.500 . 6.500 3.932 3.131 6.068 . 0 0 "[ . 1]" 1
335 2 19 GLU H 2 20 GLN H 3.300 . 3.800 2.782 2.727 2.861 . 0 0 "[ . 1]" 1
336 2 23 ASP H 2 25 CYS H 3.500 . 4.200 3.783 3.597 4.204 0.004 2 0 "[ . 1]" 1
337 2 25 CYS H 2 27 ASN H 4.500 . 5.250 3.795 3.585 4.130 . 0 0 "[ . 1]" 1
338 2 25 CYS H 2 26 SER H 2.800 . 3.100 2.723 2.569 3.006 . 0 0 "[ . 1]" 1
339 2 26 SER H 2 26 SER HB3 3.500 . 4.200 2.705 2.139 3.622 . 0 0 "[ . 1]" 1
340 2 26 SER H 2 27 ASN H 2.800 . 3.100 3.008 2.917 3.116 0.016 5 0 "[ . 1]" 1
341 2 27 ASN H 2 29 GLY H 4.500 . 5.250 4.604 4.333 4.787 . 0 0 "[ . 1]" 1
342 2 27 ASN H 2 28 VAL H 3.300 . 3.800 3.399 2.481 3.789 . 0 0 "[ . 1]" 1
343 2 27 ASN H 2 27 ASN HA 2.800 . 3.100 2.818 2.746 2.923 . 0 0 "[ . 1]" 1
344 2 24 LEU HA 2 27 ASN H 3.500 . 4.200 4.175 3.872 4.407 0.207 4 0 "[ . 1]" 1
345 2 26 SER HB2 2 27 ASN H 3.500 . 4.200 3.996 3.137 4.335 0.135 3 0 "[ . 1]" 1
346 2 28 VAL H 2 28 VAL HB 3.300 . 3.800 3.183 2.137 3.762 . 0 0 "[ . 1]" 1
347 2 31 VAL H 2 32 ILE H 4.500 . 5.250 4.556 4.192 4.718 . 0 0 "[ . 1]" 1
348 2 30 PRO HA 2 31 VAL H 3.300 . 3.800 2.331 2.205 2.431 . 0 0 "[ . 1]" 1
349 2 30 PRO HB2 2 31 VAL H 4.500 . 5.250 3.869 2.835 4.365 . 0 0 "[ . 1]" 1
350 2 30 PRO HB3 2 31 VAL H 4.500 . 5.250 3.959 3.001 4.527 . 0 0 "[ . 1]" 1
351 2 31 VAL H 2 31 VAL HB 3.300 . 3.800 3.067 2.166 3.526 . 0 0 "[ . 1]" 1
352 2 31 VAL HA 2 32 ILE H 2.800 . 3.100 2.509 2.287 2.987 . 0 0 "[ . 1]" 1
353 2 34 LEU H 2 35 LYS H 3.500 . 4.200 4.263 4.220 4.305 0.105 5 0 "[ . 1]" 1
354 2 33 ASN HA 2 34 LEU H 2.800 . 3.100 2.270 2.160 2.329 . 0 0 "[ . 1]" 1
355 2 35 LYS H 2 36 MET H 4.500 . 5.250 4.245 4.062 4.397 . 0 0 "[ . 1]" 1
356 2 35 LYS HA 2 36 MET H 2.800 . 3.100 2.183 2.132 2.285 . 0 0 "[ . 1]" 1
357 2 36 MET H 2 36 MET HB3 3.300 . 3.800 2.805 2.424 2.969 . 0 0 "[ . 1]" 1
358 2 36 MET H 2 36 MET HB2 3.300 . 3.800 2.892 2.393 3.308 . 0 0 "[ . 1]" 1
359 2 36 MET H 2 37 MET H 4.500 . 5.250 4.464 4.365 4.563 . 0 0 "[ . 1]" 1
360 2 39 ASP H 2 46 LYS H 4.500 . 5.250 4.708 4.226 5.188 . 0 0 "[ . 1]" 1
361 2 38 PHE HA 2 39 ASP H 2.800 . 3.100 2.610 2.306 2.775 . 0 0 "[ . 1]" 1
362 2 4 SER H 2 5 ARG H 4.500 . 5.250 4.142 3.852 4.235 . 0 0 "[ . 1]" 1
363 2 4 SER HA 2 5 ARG H 2.800 . 3.100 2.173 2.099 2.219 . 0 0 "[ . 1]" 1
364 2 70 GLN HE22 2 70 GLN QG 3.300 . 3.800 3.436 3.379 3.546 . 0 0 "[ . 1]" 1
365 2 16 GLN HA 2 16 GLN HE21 4.500 . 5.250 4.005 3.246 4.570 . 0 0 "[ . 1]" 1
366 2 16 GLN HA 2 16 GLN HE22 5.500 . 6.500 5.427 4.363 5.934 . 0 0 "[ . 1]" 1
367 2 67 ASN HB2 2 67 ASN HD22 3.500 . 4.200 3.814 3.517 4.097 . 0 0 "[ . 1]" 1
368 2 67 ASN HB3 2 67 ASN HD22 3.500 . 4.200 3.745 3.510 4.062 . 0 0 "[ . 1]" 1
369 2 67 ASN HB2 2 67 ASN HD21 3.500 . 4.200 2.955 2.258 3.566 . 0 0 "[ . 1]" 1
370 2 65 ASN HB2 2 65 ASN HD21 3.300 . 3.800 2.523 2.284 3.438 . 0 0 "[ . 1]" 1
371 2 65 ASN HB2 2 65 ASN HD22 3.300 . 3.800 3.624 3.526 3.982 0.182 2 0 "[ . 1]" 1
372 2 70 GLN H 2 70 GLN QG 3.500 . 4.200 3.438 2.430 4.121 . 0 0 "[ . 1]" 1
373 2 70 GLN H 2 70 GLN HB3 3.300 . 3.800 3.222 2.752 3.655 . 0 0 "[ . 1]" 1
374 2 56 LEU HA 2 60 ALA H 3.500 . 4.200 3.176 3.047 3.355 . 0 0 "[ . 1]" 1
375 2 59 SER QB 2 60 ALA H 3.500 . 4.200 2.701 2.596 2.873 . 0 0 "[ . 1]" 1
376 2 56 LEU HB2 2 60 ALA H 4.500 . 5.250 5.298 5.159 5.405 0.155 5 0 "[ . 1]" 1
377 2 56 LEU HB3 2 60 ALA H 4.500 . 5.250 4.558 4.434 4.675 . 0 0 "[ . 1]" 1
378 2 60 ALA H 2 62 ALA MB 4.500 . 5.250 4.841 4.642 5.041 . 0 0 "[ . 1]" 1
379 2 56 LEU MD1 2 60 ALA H 5.500 . 6.500 5.317 4.235 6.075 . 0 0 "[ . 1]" 1
380 2 56 LEU MD2 2 60 ALA H 4.500 . 5.250 5.068 4.644 5.323 0.073 6 0 "[ . 1]" 1
381 2 38 PHE H 2 40 PRO HD2 5.500 . 6.500 5.021 4.258 5.981 . 0 0 "[ . 1]" 1
382 2 37 MET H 2 38 PHE H 4.500 . 5.250 4.375 4.317 4.409 . 0 0 "[ . 1]" 1
383 2 38 PHE H 2 39 ASP H 4.500 . 5.250 4.471 4.389 4.560 . 0 0 "[ . 1]" 1
384 2 4 SER H 2 4 SER HB3 3.500 . 4.200 3.781 3.300 4.014 . 0 0 "[ . 1]" 1
385 2 4 SER H 2 56 LEU MD2 3.500 . 4.200 3.488 3.110 4.010 . 0 0 "[ . 1]" 1
386 2 2 PRO HB3 2 4 SER H 4.500 . 5.250 3.888 3.548 4.124 . 0 0 "[ . 1]" 1
387 2 4 SER H 2 56 LEU HG 5.500 . 6.500 4.781 3.574 6.030 . 0 0 "[ . 1]" 1
388 2 2 PRO QG 2 4 SER H 3.500 . 4.200 3.890 3.393 4.267 0.067 9 0 "[ . 1]" 1
389 2 2 PRO HB2 2 4 SER H 3.300 . 3.800 2.362 2.256 2.548 . 0 0 "[ . 1]" 1
390 2 5 ARG H 2 5 ARG HB2 3.500 . 4.200 3.311 2.981 3.695 . 0 0 "[ . 1]" 1
391 2 5 ARG H 2 5 ARG HB3 3.500 . 4.200 3.423 3.181 3.617 . 0 0 "[ . 1]" 1
392 2 5 ARG H 2 6 VAL HB 5.500 . 6.500 5.106 4.441 5.949 . 0 0 "[ . 1]" 1
393 2 8 TYR QE 2 80 TYR H 3.500 . 4.200 3.444 2.665 3.942 . 0 0 "[ . 1]" 1
394 2 6 VAL H 2 79 GLY H 5.500 . 6.500 3.774 3.330 4.092 . 0 0 "[ . 1]" 1
395 2 79 GLY H 2 80 TYR H 5.500 . 6.500 4.478 4.347 4.609 . 0 0 "[ . 1]" 1
396 2 5 ARG H 2 6 VAL H 3.500 . 4.200 2.065 1.854 2.360 . 0 0 "[ . 1]" 1
397 2 80 TYR H 2 81 SER HA 4.500 . 5.250 4.627 4.226 5.073 . 0 0 "[ . 1]" 1
398 2 4 SER HA 2 6 VAL H 3.500 . 4.200 3.893 3.657 4.194 . 0 0 "[ . 1]" 1
399 2 6 VAL H 2 53 PHE HB2 5.500 . 6.500 5.536 5.213 5.896 . 0 0 "[ . 1]" 1
400 2 6 VAL H 2 6 VAL HB 3.300 . 3.800 3.210 2.623 3.864 0.064 8 0 "[ . 1]" 1
401 2 6 VAL H 2 6 VAL MG2 3.500 . 4.200 3.179 2.221 3.859 . 0 0 "[ . 1]" 1
402 2 7 VAL H 2 51 ILE MG 3.500 . 4.200 4.303 4.208 4.465 0.265 10 0 "[ . 1]" 1
403 2 7 VAL H 2 51 ILE HB 3.500 . 4.200 3.220 3.065 3.359 . 0 0 "[ . 1]" 1
404 2 6 VAL HB 2 7 VAL H 4.500 . 5.250 3.594 2.449 3.874 . 0 0 "[ . 1]" 1
405 2 7 VAL H 2 53 PHE QD 3.500 . 4.200 3.985 3.617 4.174 . 0 0 "[ . 1]" 1
406 2 6 VAL H 2 7 VAL H 4.500 . 5.250 4.511 4.457 4.562 . 0 0 "[ . 1]" 1
407 2 7 VAL H 2 51 ILE H 3.500 . 4.200 3.101 2.697 3.573 . 0 0 "[ . 1]" 1
408 2 8 TYR H 2 8 TYR HB3 3.500 . 4.200 3.709 3.577 3.803 . 0 0 "[ . 1]" 1
409 2 9 LEU H 2 9 LEU MD2 4.500 . 5.250 3.716 2.180 4.411 . 0 0 "[ . 1]" 1
410 2 9 LEU H 2 9 LEU MD1 4.500 . 5.250 3.541 2.170 4.290 . 0 0 "[ . 1]" 1
411 2 10 GLY H 2 11 SER H 4.500 . 5.250 2.686 1.811 4.126 . 0 0 "[ . 1]" 1
412 2 10 GLY H 2 48 TYR QE 5.500 . 6.500 4.717 4.044 6.332 . 0 0 "[ . 1]" 1
413 2 9 LEU MD1 2 10 GLY H 5.500 . 6.500 4.365 3.341 5.284 . 0 0 "[ . 1]" 1
414 2 9 LEU MD2 2 10 GLY H 5.500 . 6.500 4.077 2.653 5.229 . 0 0 "[ . 1]" 1
415 2 11 SER HB3 2 12 ILE H 4.500 . 5.250 4.386 4.055 4.617 . 0 0 "[ . 1]" 1
416 2 11 SER HB2 2 12 ILE H 4.500 . 5.250 4.119 3.359 4.646 . 0 0 "[ . 1]" 1
417 2 12 ILE H 2 12 ILE QG 3.500 . 4.200 3.600 3.177 4.048 . 0 0 "[ . 1]" 1
418 2 12 ILE H 2 12 ILE MG 3.500 . 4.200 3.841 3.509 4.005 . 0 0 "[ . 1]" 1
419 2 12 ILE H 2 12 ILE MD 4.500 . 5.250 2.675 1.997 3.526 . 0 0 "[ . 1]" 1
420 2 12 ILE MG 2 14 TYR H 4.500 . 5.250 4.972 4.606 5.326 0.076 8 0 "[ . 1]" 1
421 2 13 PRO HB2 2 15 ASP H 4.500 . 5.250 2.188 1.886 2.504 . 0 0 "[ . 1]" 1
422 2 13 PRO HG2 2 15 ASP H 4.500 . 5.250 3.106 2.306 3.961 . 0 0 "[ . 1]" 1
423 2 13 PRO HG3 2 15 ASP H 4.500 . 5.250 4.380 3.924 4.773 . 0 0 "[ . 1]" 1
424 2 13 PRO HB3 2 15 ASP H 4.500 . 5.250 3.790 3.272 4.031 . 0 0 "[ . 1]" 1
425 2 12 ILE MG 2 15 ASP H 4.500 . 5.250 4.289 4.013 4.632 . 0 0 "[ . 1]" 1
426 2 15 ASP H 2 16 GLN H 3.300 . 3.800 2.651 2.560 2.707 . 0 0 "[ . 1]" 1
427 2 14 TYR HA 2 16 GLN H 4.500 . 5.250 3.838 3.665 4.150 . 0 0 "[ . 1]" 1
428 2 15 ASP HB2 2 16 GLN H 4.500 . 5.250 2.782 2.520 3.944 . 0 0 "[ . 1]" 1
429 2 16 GLN H 2 16 GLN HG2 3.500 . 4.200 2.613 1.779 4.169 0.021 3 0 "[ . 1]" 1
430 2 16 GLN H 2 16 GLN HB2 3.300 . 3.800 3.335 2.503 3.705 . 0 0 "[ . 1]" 1
431 2 12 ILE MG 2 16 GLN H 3.300 . 3.800 3.237 2.738 3.500 . 0 0 "[ . 1]" 1
432 2 16 GLN H 2 21 ILE MD 5.500 . 6.500 5.062 4.493 5.744 . 0 0 "[ . 1]" 1
433 2 16 GLN HE21 2 17 THR H 4.500 . 5.250 5.374 5.259 5.461 0.211 4 0 "[ . 1]" 1
434 2 17 THR H 2 21 ILE H 4.500 . 5.250 4.062 3.753 4.581 . 0 0 "[ . 1]" 1
435 2 17 THR H 2 20 GLN HG2 4.500 . 5.250 4.841 4.433 5.291 0.041 9 0 "[ . 1]" 1
436 2 16 GLN HB3 2 17 THR H 3.500 . 4.200 4.035 3.834 4.313 0.113 7 0 "[ . 1]" 1
437 2 16 GLN HB2 2 17 THR H 3.500 . 4.200 3.867 3.656 4.411 0.211 2 0 "[ . 1]" 1
438 2 17 THR H 2 17 THR MG 2.800 . 3.100 2.557 1.988 2.722 . 0 0 "[ . 1]" 1
439 2 16 GLN HE21 2 20 GLN HE21 3.500 . 4.200 2.805 2.019 3.645 . 0 0 "[ . 1]" 1
440 2 16 GLN HE22 2 20 GLN HE21 3.500 . 4.200 3.531 2.733 4.226 0.026 7 0 "[ . 1]" 1
441 2 18 GLU H 2 19 GLU H 2.800 . 3.100 2.657 2.620 2.710 . 0 0 "[ . 1]" 1
442 2 17 THR HB 2 18 GLU H 3.300 . 3.800 1.933 1.771 3.289 0.029 5 0 "[ . 1]" 1
443 2 17 THR HA 2 18 GLU H 2.800 . 3.100 3.053 2.921 3.129 0.029 10 0 "[ . 1]" 1
444 2 18 GLU H 2 18 GLU HG2 3.500 . 4.200 3.311 2.283 4.390 0.190 3 0 "[ . 1]" 1
445 2 18 GLU H 2 18 GLU HG3 3.500 . 4.200 3.580 2.614 4.420 0.220 2 0 "[ . 1]" 1
446 2 18 GLU H 2 18 GLU HB3 2.800 . 3.100 2.384 2.183 2.560 . 0 0 "[ . 1]" 1
447 2 18 GLU H 2 18 GLU HB2 3.500 . 4.200 3.264 2.381 3.621 . 0 0 "[ . 1]" 1
448 2 18 GLU H 2 19 GLU QB 4.500 . 5.250 4.517 4.437 4.585 . 0 0 "[ . 1]" 1
449 2 32 ILE H 2 54 ARG H 4.500 . 5.250 4.282 3.809 5.161 . 0 0 "[ . 1]" 1
450 2 19 GLU H 2 21 ILE H 4.500 . 5.250 4.049 3.940 4.165 . 0 0 "[ . 1]" 1
451 2 17 THR HB 2 19 GLU H 4.500 . 5.250 3.865 3.484 4.659 . 0 0 "[ . 1]" 1
452 2 17 THR HA 2 19 GLU H 4.500 . 5.250 4.558 4.356 4.725 . 0 0 "[ . 1]" 1
453 2 32 ILE HA 2 54 ARG H 5.500 . 6.500 5.656 5.226 5.920 . 0 0 "[ . 1]" 1
454 2 54 ARG H 2 58 SER HB3 4.500 . 5.250 3.335 2.602 3.519 . 0 0 "[ . 1]" 1
455 2 19 GLU H 2 19 GLU QB 2.800 . 3.100 2.338 2.288 2.380 . 0 0 "[ . 1]" 1
456 2 54 ARG H 2 54 ARG HB2 3.300 . 3.800 2.366 2.228 2.673 . 0 0 "[ . 1]" 1
457 2 18 GLU HB3 2 19 GLU H 3.500 . 4.200 3.558 2.750 3.955 . 0 0 "[ . 1]" 1
458 2 17 THR MG 2 19 GLU H 4.500 . 5.250 4.257 2.033 4.650 . 0 0 "[ . 1]" 1
459 2 53 PHE QD 2 54 ARG H 3.300 . 3.800 2.750 2.557 3.139 . 0 0 "[ . 1]" 1
460 2 31 VAL HA 2 54 ARG H 3.500 . 4.200 3.507 3.054 3.828 . 0 0 "[ . 1]" 1
461 2 53 PHE HB2 2 54 ARG H 3.500 . 4.200 3.707 3.619 3.812 . 0 0 "[ . 1]" 1
462 2 54 ARG H 2 58 SER HB2 4.500 . 5.250 2.712 2.325 3.685 . 0 0 "[ . 1]" 1
463 2 53 PHE HB3 2 54 ARG H 3.500 . 4.200 2.258 2.166 2.402 . 0 0 "[ . 1]" 1
464 2 54 ARG H 2 54 ARG QD 3.500 . 4.200 4.118 3.761 4.394 0.194 8 0 "[ . 1]" 1
465 2 54 ARG H 2 54 ARG HB3 3.300 . 3.800 2.904 2.562 3.616 . 0 0 "[ . 1]" 1
466 2 32 ILE HG13 2 54 ARG H 3.500 . 4.200 3.922 2.809 4.294 0.094 9 0 "[ . 1]" 1
467 2 31 VAL MG1 2 54 ARG H 5.500 . 6.500 4.897 4.203 5.670 . 0 0 "[ . 1]" 1
468 2 31 VAL MG2 2 54 ARG H 5.500 . 6.500 5.385 4.713 6.138 . 0 0 "[ . 1]" 1
469 2 32 ILE HB 2 54 ARG H 4.500 . 5.250 4.813 4.205 5.065 . 0 0 "[ . 1]" 1
470 2 20 GLN H 2 21 ILE H 2.800 . 3.100 2.700 2.636 2.741 . 0 0 "[ . 1]" 1
471 2 20 GLN H 2 22 LEU H 3.500 . 4.200 4.318 4.278 4.356 0.156 6 0 "[ . 1]" 1
472 2 18 GLU H 2 20 GLN H 4.500 . 5.250 4.714 4.573 4.836 . 0 0 "[ . 1]" 1
473 2 17 THR HA 2 20 GLN H 4.500 . 5.250 4.943 4.834 5.115 . 0 0 "[ . 1]" 1
474 2 20 GLN H 2 20 GLN HB3 3.500 . 4.200 3.376 2.433 3.636 . 0 0 "[ . 1]" 1
475 2 20 GLN H 2 20 GLN HB2 3.500 . 4.200 2.331 2.092 2.603 . 0 0 "[ . 1]" 1
476 2 19 GLU QB 2 20 GLN H 3.300 . 3.800 2.237 2.210 2.269 . 0 0 "[ . 1]" 1
477 2 20 GLN H 2 21 ILE MD 5.500 . 6.500 4.976 3.789 5.486 . 0 0 "[ . 1]" 1
478 2 16 GLN HE21 2 20 GLN HE22 3.500 . 4.200 3.664 2.730 4.228 0.028 1 0 "[ . 1]" 1
479 2 16 GLN HE22 2 20 GLN HE22 3.500 . 4.200 3.999 3.555 4.241 0.041 8 0 "[ . 1]" 1
480 2 20 GLN HB3 2 21 ILE H 3.300 . 3.800 3.207 2.422 3.725 . 0 0 "[ . 1]" 1
481 2 21 ILE H 2 22 LEU HB2 4.500 . 5.250 5.107 4.925 5.269 0.019 1 0 "[ . 1]" 1
482 2 20 GLN HB2 2 21 ILE H 3.300 . 3.800 2.917 2.543 3.822 0.022 4 0 "[ . 1]" 1
483 2 21 ILE H 2 21 ILE HB 3.500 . 4.200 2.590 2.286 2.701 . 0 0 "[ . 1]" 1
484 2 19 GLU QB 2 21 ILE H 4.500 . 5.250 4.605 4.491 4.673 . 0 0 "[ . 1]" 1
485 2 16 GLN HB3 2 21 ILE H 5.500 . 6.500 4.430 3.608 4.862 . 0 0 "[ . 1]" 1
486 2 21 ILE H 2 21 ILE HG13 3.300 . 3.800 3.572 3.062 3.835 0.035 10 0 "[ . 1]" 1
487 2 21 ILE H 2 21 ILE MD 3.300 . 3.800 2.988 1.907 3.546 . 0 0 "[ . 1]" 1
488 2 21 ILE H 2 21 ILE HG12 3.300 . 3.800 2.308 1.846 3.998 0.198 10 0 "[ . 1]" 1
489 2 21 ILE H 2 22 LEU HB3 4.500 . 5.250 4.770 4.660 4.930 . 0 0 "[ . 1]" 1
490 2 76 LEU HA 2 77 LYS H 3.300 . 3.800 2.310 2.208 2.397 . 0 0 "[ . 1]" 1
491 2 77 LYS H 2 77 LYS QB 3.500 . 4.200 2.494 2.301 2.694 . 0 0 "[ . 1]" 1
492 2 21 ILE H 2 22 LEU H 2.800 . 3.100 2.756 2.629 2.849 . 0 0 "[ . 1]" 1
493 2 19 GLU H 2 22 LEU H 4.500 . 5.250 4.555 4.457 4.622 . 0 0 "[ . 1]" 1
494 2 22 LEU H 2 25 CYS H 4.500 . 5.250 5.133 4.871 5.202 . 0 0 "[ . 1]" 1
495 2 20 GLN HA 2 22 LEU H 4.500 . 5.250 4.685 4.532 4.781 . 0 0 "[ . 1]" 1
496 2 22 LEU H 2 23 ASP HA 5.500 . 6.500 5.531 5.310 5.591 . 0 0 "[ . 1]" 1
497 2 21 ILE MD 2 22 LEU H 4.500 . 5.250 4.444 3.965 4.661 . 0 0 "[ . 1]" 1
498 2 22 LEU H 2 34 LEU MD1 3.500 . 4.200 3.543 2.319 4.116 . 0 0 "[ . 1]" 1
499 2 22 LEU H 2 34 LEU MD2 3.500 . 4.200 3.081 2.297 4.292 0.092 9 0 "[ . 1]" 1
500 2 21 ILE HB 2 22 LEU H 2.800 . 3.100 2.301 2.178 2.426 . 0 0 "[ . 1]" 1
501 2 22 LEU H 2 22 LEU HG 4.500 . 5.250 4.511 4.383 4.654 . 0 0 "[ . 1]" 1
502 2 22 LEU H 2 23 ASP H 2.800 . 3.100 2.975 2.691 3.067 . 0 0 "[ . 1]" 1
503 2 23 ASP H 2 24 LEU H 2.800 . 3.100 2.178 1.915 3.133 0.033 2 0 "[ . 1]" 1
504 2 23 ASP H 2 23 ASP HA 2.800 . 3.100 2.948 2.775 2.997 . 0 0 "[ . 1]" 1
505 2 20 GLN HA 2 23 ASP H 3.500 . 4.200 3.619 2.947 3.838 . 0 0 "[ . 1]" 1
506 2 19 GLU HA 2 23 ASP H 4.500 . 5.250 5.023 3.917 5.319 0.069 9 0 "[ . 1]" 1
507 2 21 ILE MD 2 23 ASP H 5.500 . 6.500 5.145 4.903 5.444 . 0 0 "[ . 1]" 1
508 2 21 ILE MG 2 23 ASP H 4.500 . 5.250 4.441 4.126 4.954 . 0 0 "[ . 1]" 1
509 2 23 ASP H 2 24 LEU HB3 4.500 . 5.250 4.420 3.813 5.249 . 0 0 "[ . 1]" 1
510 2 19 GLU QG 2 23 ASP H 4.500 . 5.250 5.156 4.121 5.487 0.237 7 0 "[ . 1]" 1
511 2 24 LEU H 2 25 CYS H 2.800 . 3.100 2.713 2.625 2.977 . 0 0 "[ . 1]" 1
512 2 22 LEU H 2 24 LEU H 4.500 . 5.250 4.487 4.262 5.073 . 0 0 "[ . 1]" 1
513 2 21 ILE HA 2 24 LEU H 3.500 . 4.200 3.138 2.809 4.101 . 0 0 "[ . 1]" 1
514 2 21 ILE HB 2 24 LEU H 5.500 . 6.500 5.433 5.080 6.276 . 0 0 "[ . 1]" 1
515 2 24 LEU H 2 24 LEU HB3 2.800 . 3.100 2.598 2.176 2.702 . 0 0 "[ . 1]" 1
516 2 24 LEU H 2 24 LEU HB2 2.800 . 3.100 2.578 2.421 3.070 . 0 0 "[ . 1]" 1
517 2 24 LEU H 2 24 LEU MD2 3.500 . 4.200 4.074 3.930 4.290 0.090 2 0 "[ . 1]" 1
518 2 24 LEU H 2 24 LEU MD1 3.500 . 4.200 4.134 3.990 4.209 0.009 8 0 "[ . 1]" 1
519 2 25 CYS H 2 53 PHE HZ 5.500 . 6.500 5.377 5.140 5.920 . 0 0 "[ . 1]" 1
520 2 21 ILE HA 2 25 CYS H 3.500 . 4.200 3.435 3.282 3.712 . 0 0 "[ . 1]" 1
521 2 23 ASP HA 2 25 CYS H 4.500 . 5.250 4.162 3.800 4.930 . 0 0 "[ . 1]" 1
522 2 25 CYS H 2 25 CYS HB3 3.500 . 4.200 3.457 2.977 3.636 . 0 0 "[ . 1]" 1
523 2 25 CYS H 2 25 CYS HB2 3.500 . 4.200 2.589 2.160 3.608 . 0 0 "[ . 1]" 1
524 2 21 ILE HB 2 25 CYS H 5.500 . 6.500 5.504 5.344 5.788 . 0 0 "[ . 1]" 1
525 2 24 LEU HB3 2 25 CYS H 2.800 . 3.100 2.577 2.337 2.812 . 0 0 "[ . 1]" 1
526 2 24 LEU HB2 2 25 CYS H 3.500 . 4.200 3.848 3.722 4.067 . 0 0 "[ . 1]" 1
527 2 26 SER H 2 28 VAL MG1 5.500 . 6.500 5.634 4.571 6.589 0.089 9 0 "[ . 1]" 1
528 2 24 LEU HB3 2 26 SER H 4.500 . 5.250 5.277 5.189 5.383 0.133 2 0 "[ . 1]" 1
529 2 25 CYS HB2 2 26 SER H 3.500 . 4.200 2.344 1.991 2.947 . 0 0 "[ . 1]" 1
530 2 25 CYS HB3 2 26 SER H 3.500 . 4.200 3.028 2.483 3.744 . 0 0 "[ . 1]" 1
531 2 26 SER H 2 26 SER HB2 3.500 . 4.200 3.008 2.298 3.681 . 0 0 "[ . 1]" 1
532 2 23 ASP HA 2 26 SER H 4.500 . 5.250 3.691 3.178 4.780 . 0 0 "[ . 1]" 1
533 2 24 LEU H 2 26 SER H 4.500 . 5.250 4.597 4.438 4.943 . 0 0 "[ . 1]" 1
534 2 53 PHE QD 2 58 SER H 5.500 . 6.500 5.266 4.964 5.577 . 0 0 "[ . 1]" 1
535 2 56 LEU HA 2 58 SER H 4.500 . 5.250 5.357 5.278 5.481 0.231 4 0 "[ . 1]" 1
536 2 58 SER H 2 58 SER HB3 3.500 . 4.200 3.338 2.636 3.638 . 0 0 "[ . 1]" 1
537 2 55 ASP HB2 2 58 SER H 4.500 . 5.250 4.429 4.051 5.268 0.018 2 0 "[ . 1]" 1
538 2 53 PHE HB3 2 58 SER H 4.500 . 5.250 4.481 4.291 4.600 . 0 0 "[ . 1]" 1
539 2 55 ASP HB3 2 58 SER H 4.500 . 5.250 4.779 4.074 5.023 . 0 0 "[ . 1]" 1
540 2 58 SER H 2 58 SER HB2 3.500 . 4.200 2.791 2.351 3.617 . 0 0 "[ . 1]" 1
541 2 57 GLU HB3 2 58 SER H 3.500 . 4.200 2.664 1.836 3.034 . 0 0 "[ . 1]" 1
542 2 57 GLU HB2 2 58 SER H 3.500 . 4.200 2.228 1.818 3.434 . 0 0 "[ . 1]" 1
543 2 58 SER H 2 60 ALA MB 5.500 . 6.500 4.665 4.568 4.725 . 0 0 "[ . 1]" 1
544 2 24 LEU H 2 27 ASN H 4.500 . 5.250 4.913 4.689 5.142 . 0 0 "[ . 1]" 1
545 2 23 ASP HA 2 27 ASN H 4.500 . 5.250 3.795 3.349 4.916 . 0 0 "[ . 1]" 1
546 2 27 ASN H 2 28 VAL MG2 5.500 . 6.500 5.438 3.873 6.119 . 0 0 "[ . 1]" 1
547 2 27 ASN H 2 28 VAL MG1 5.500 . 6.500 4.757 3.444 5.857 . 0 0 "[ . 1]" 1
548 2 24 LEU HA 2 27 ASN HD22 3.500 . 4.200 3.618 1.958 4.183 . 0 0 "[ . 1]" 1
549 2 24 LEU HA 2 27 ASN HD21 3.500 . 4.200 3.324 1.813 4.274 0.074 10 0 "[ . 1]" 1
550 2 26 SER H 2 28 VAL H 5.500 . 6.500 5.338 4.193 5.762 . 0 0 "[ . 1]" 1
551 2 28 VAL H 2 53 PHE HZ 4.500 . 5.250 5.312 5.170 5.449 0.199 7 0 "[ . 1]" 1
552 2 26 SER HA 2 28 VAL H 4.500 . 5.250 4.029 3.213 4.914 . 0 0 "[ . 1]" 1
553 2 27 ASN HA 2 28 VAL H 3.300 . 3.800 2.760 2.402 3.543 . 0 0 "[ . 1]" 1
554 2 28 VAL H 2 62 ALA MB 4.500 . 5.250 5.191 4.611 5.517 0.267 2 0 "[ . 1]" 1
555 2 28 VAL H 2 28 VAL MG1 3.300 . 3.800 3.245 2.554 3.873 0.073 5 0 "[ . 1]" 1
556 2 26 SER H 2 29 GLY H 5.500 . 6.500 5.497 4.949 5.811 . 0 0 "[ . 1]" 1
557 2 29 GLY H 2 31 VAL H 5.500 . 6.500 5.224 4.122 6.508 0.008 6 0 "[ . 1]" 1
558 2 28 VAL H 2 29 GLY H 2.800 . 3.100 2.237 1.918 3.149 0.049 4 0 "[ . 1]" 1
559 2 29 GLY H 2 53 PHE QE 3.500 . 4.200 3.102 2.726 3.500 . 0 0 "[ . 1]" 1
560 2 29 GLY H 2 53 PHE HZ 4.500 . 5.250 4.514 4.113 4.966 . 0 0 "[ . 1]" 1
561 2 26 SER HA 2 29 GLY H 3.500 . 4.200 3.322 2.934 4.112 . 0 0 "[ . 1]" 1
562 2 27 ASN HA 2 29 GLY H 4.500 . 5.250 4.444 4.231 5.006 . 0 0 "[ . 1]" 1
563 2 28 VAL HB 2 29 GLY H 3.500 . 4.200 3.394 2.282 4.154 . 0 0 "[ . 1]" 1
564 2 29 GLY H 2 62 ALA MB 4.500 . 5.250 4.295 3.716 4.779 . 0 0 "[ . 1]" 1
565 2 28 VAL MG1 2 29 GLY H 3.500 . 4.200 2.505 2.039 3.244 . 0 0 "[ . 1]" 1
566 2 28 VAL MG2 2 29 GLY H 3.500 . 4.200 3.785 3.236 4.301 0.101 9 0 "[ . 1]" 1
567 2 31 VAL H 2 53 PHE QD 4.500 . 5.250 4.721 3.978 5.050 . 0 0 "[ . 1]" 1
568 2 26 SER HA 2 31 VAL H 4.500 . 5.250 3.963 3.134 5.366 0.116 10 0 "[ . 1]" 1
569 2 31 VAL H 2 53 PHE HA 5.500 . 6.500 5.246 4.995 5.477 . 0 0 "[ . 1]" 1
570 2 31 VAL H 2 32 ILE MD 5.500 . 6.500 5.217 4.540 6.534 0.034 2 0 "[ . 1]" 1
571 2 31 VAL H 2 31 VAL MG1 3.500 . 4.200 3.078 1.722 3.934 0.078 9 0 "[ . 1]" 1
572 2 33 ASN H 2 52 GLU H 3.500 . 4.200 2.942 2.392 3.365 . 0 0 "[ . 1]" 1
573 2 34 LEU HA 2 52 GLU H 3.500 . 4.200 3.773 3.640 3.959 . 0 0 "[ . 1]" 1
574 2 6 VAL HA 2 52 GLU H 4.500 . 5.250 4.856 4.609 5.088 . 0 0 "[ . 1]" 1
575 2 33 ASN HB3 2 52 GLU H 4.500 . 5.250 4.077 3.654 4.706 . 0 0 "[ . 1]" 1
576 2 52 GLU H 2 52 GLU HB3 3.300 . 3.800 3.044 2.540 3.617 . 0 0 "[ . 1]" 1
577 2 52 GLU H 2 52 GLU HB2 3.500 . 4.200 2.711 2.555 3.181 . 0 0 "[ . 1]" 1
578 2 32 ILE HB 2 52 GLU H 5.500 . 6.500 4.611 4.038 5.235 . 0 0 "[ . 1]" 1
579 2 34 LEU HB2 2 52 GLU H 4.500 . 5.250 5.173 4.691 5.312 0.062 3 0 "[ . 1]" 1
580 2 51 ILE QG 2 52 GLU H 4.500 . 5.250 4.554 4.178 4.736 . 0 0 "[ . 1]" 1
581 2 51 ILE MG 2 52 GLU H 2.800 . 3.100 2.988 2.141 3.373 0.273 8 0 "[ . 1]" 1
582 2 31 VAL MG2 2 52 GLU H 5.500 . 6.500 5.277 3.977 6.534 0.034 2 0 "[ . 1]" 1
583 2 32 ILE H 2 53 PHE QD 4.500 . 5.250 4.636 4.306 5.057 . 0 0 "[ . 1]" 1
584 2 32 ILE H 2 53 PHE HA 3.500 . 4.200 2.656 2.141 3.481 . 0 0 "[ . 1]" 1
585 2 32 ILE H 2 33 ASN HA 4.500 . 5.250 4.843 4.274 5.162 . 0 0 "[ . 1]" 1
586 2 32 ILE H 2 52 GLU HB3 4.500 . 5.250 4.601 3.811 5.319 0.069 8 0 "[ . 1]" 1
587 2 31 VAL HB 2 32 ILE H 3.500 . 4.200 3.079 2.348 3.878 . 0 0 "[ . 1]" 1
588 2 32 ILE H 2 32 ILE HB 3.300 . 3.800 2.624 2.325 2.960 . 0 0 "[ . 1]" 1
589 2 32 ILE H 2 32 ILE HG13 4.500 . 5.250 4.009 3.563 4.593 . 0 0 "[ . 1]" 1
590 2 31 VAL MG1 2 32 ILE H 3.500 . 4.200 2.599 1.665 4.145 0.135 4 0 "[ . 1]" 1
591 2 32 ILE H 2 32 ILE MG 3.500 . 4.200 3.833 3.716 3.959 . 0 0 "[ . 1]" 1
592 2 32 ILE H 2 33 ASN H 2.800 . 3.100 2.436 1.926 2.752 . 0 0 "[ . 1]" 1
593 2 33 ASN H 2 52 GLU HA 4.500 . 5.250 4.482 4.288 4.717 . 0 0 "[ . 1]" 1
594 2 33 ASN H 2 53 PHE HA 3.500 . 4.200 4.259 4.170 4.328 0.128 1 0 "[ . 1]" 1
595 2 33 ASN H 2 51 ILE HA 4.500 . 5.250 4.615 4.375 4.894 . 0 0 "[ . 1]" 1
596 2 33 ASN H 2 33 ASN HB2 3.500 . 4.200 2.724 2.594 2.922 . 0 0 "[ . 1]" 1
597 2 33 ASN H 2 33 ASN HB3 3.500 . 4.200 3.830 3.750 3.978 . 0 0 "[ . 1]" 1
598 2 33 ASN H 2 52 GLU HB3 3.500 . 4.200 3.076 2.251 4.142 . 0 0 "[ . 1]" 1
599 2 31 VAL HB 2 33 ASN H 4.500 . 5.250 4.462 3.047 5.370 0.120 4 0 "[ . 1]" 1
600 2 33 ASN H 2 52 GLU HB2 3.500 . 4.200 3.352 2.176 4.224 0.024 2 0 "[ . 1]" 1
601 2 32 ILE HB 2 33 ASN H 3.300 . 3.800 2.274 2.021 2.561 . 0 0 "[ . 1]" 1
602 2 32 ILE HG13 2 33 ASN H 4.500 . 5.250 4.649 4.325 4.944 . 0 0 "[ . 1]" 1
603 2 32 ILE MG 2 33 ASN H 3.300 . 3.800 3.093 2.770 3.408 . 0 0 "[ . 1]" 1
604 2 33 ASN H 2 51 ILE MG 4.500 . 5.250 4.028 3.473 4.471 . 0 0 "[ . 1]" 1
605 2 32 ILE MD 2 33 ASN HD21 5.500 . 6.500 5.895 5.191 6.456 . 0 0 "[ . 1]" 1
606 2 32 ILE MD 2 33 ASN HD22 5.500 . 6.500 5.242 4.519 5.688 . 0 0 "[ . 1]" 1
607 2 32 ILE MG 2 33 ASN HD22 3.300 . 3.800 2.507 2.282 2.776 . 0 0 "[ . 1]" 1
608 2 32 ILE MG 2 33 ASN HD21 3.300 . 3.800 3.191 2.506 3.806 0.006 9 0 "[ . 1]" 1
609 2 33 ASN HD22 2 52 GLU HB2 4.500 . 5.250 4.202 3.168 4.935 . 0 0 "[ . 1]" 1
610 2 33 ASN HD21 2 52 GLU HB2 4.500 . 5.250 2.782 1.836 3.559 . 0 0 "[ . 1]" 1
611 2 33 ASN HD21 2 52 GLU HB3 4.500 . 5.250 2.833 1.851 4.068 . 0 0 "[ . 1]" 1
612 2 33 ASN HD22 2 52 GLU HB3 4.500 . 5.250 3.995 3.235 4.847 . 0 0 "[ . 1]" 1
613 2 33 ASN HA 2 33 ASN HD22 4.500 . 5.250 4.645 4.570 4.780 . 0 0 "[ . 1]" 1
614 2 33 ASN HA 2 33 ASN HD21 4.500 . 5.250 4.456 4.356 4.508 . 0 0 "[ . 1]" 1
615 2 34 LEU H 2 52 GLU H 4.500 . 5.250 4.872 4.781 4.985 . 0 0 "[ . 1]" 1
616 2 33 ASN H 2 34 LEU H 4.500 . 5.250 4.473 4.409 4.541 . 0 0 "[ . 1]" 1
617 2 34 LEU H 2 51 ILE HA 4.500 . 5.250 4.757 4.532 4.849 . 0 0 "[ . 1]" 1
618 2 33 ASN HB2 2 34 LEU H 3.500 . 4.200 3.967 3.774 4.204 0.004 5 0 "[ . 1]" 1
619 2 33 ASN HB3 2 34 LEU H 3.300 . 3.800 3.034 2.619 3.430 . 0 0 "[ . 1]" 1
620 2 34 LEU H 2 34 LEU HB3 2.800 . 3.100 2.838 2.657 3.118 0.018 6 0 "[ . 1]" 1
621 2 34 LEU H 2 34 LEU HB2 3.300 . 3.800 3.214 2.918 3.401 . 0 0 "[ . 1]" 1
622 2 34 LEU H 2 35 LYS QB 4.500 . 5.250 4.835 4.145 5.228 . 0 0 "[ . 1]" 1
623 2 34 LEU H 2 51 ILE MG 5.500 . 6.500 4.988 4.781 5.201 . 0 0 "[ . 1]" 1
624 2 34 LEU H 2 34 LEU MD1 4.500 . 5.250 4.399 4.241 4.726 . 0 0 "[ . 1]" 1
625 2 34 LEU H 2 34 LEU MD2 4.500 . 5.250 4.509 4.163 4.706 . 0 0 "[ . 1]" 1
626 2 35 LYS H 2 36 MET HA 4.500 . 5.250 4.715 4.554 4.817 . 0 0 "[ . 1]" 1
627 2 35 LYS H 2 51 ILE HA 4.500 . 5.250 3.574 3.327 3.752 . 0 0 "[ . 1]" 1
628 2 21 ILE HB 2 35 LYS H 5.500 . 6.500 6.516 6.407 6.636 0.136 10 0 "[ . 1]" 1
629 2 34 LEU HB3 2 35 LYS H 4.500 . 5.250 4.144 3.849 4.292 . 0 0 "[ . 1]" 1
630 2 34 LEU HB2 2 35 LYS H 5.500 . 6.500 4.312 4.197 4.466 . 0 0 "[ . 1]" 1
631 2 35 LYS H 2 35 LYS HG2 5.500 . 6.500 4.400 3.965 5.052 . 0 0 "[ . 1]" 1
632 2 35 LYS H 2 35 LYS HG3 5.500 . 6.500 3.738 3.087 4.798 . 0 0 "[ . 1]" 1
633 2 34 LEU MD1 2 35 LYS H 4.500 . 5.250 2.644 1.784 4.387 0.016 3 0 "[ . 1]" 1
634 2 34 LEU MD2 2 35 LYS H 4.500 . 5.250 3.630 1.793 4.437 0.007 1 0 "[ . 1]" 1
635 2 6 VAL H 2 53 PHE H 4.500 . 5.250 4.882 4.690 5.064 . 0 0 "[ . 1]" 1
636 2 53 PHE H 2 54 ARG H 4.500 . 5.250 4.567 4.553 4.589 . 0 0 "[ . 1]" 1
637 2 53 PHE H 2 53 PHE QD 2.800 . 3.100 3.024 2.709 3.147 0.047 1 0 "[ . 1]" 1
638 2 6 VAL HA 2 53 PHE H 3.300 . 3.800 2.655 2.326 3.044 . 0 0 "[ . 1]" 1
639 2 5 ARG HA 2 53 PHE H 4.500 . 5.250 4.386 4.176 4.533 . 0 0 "[ . 1]" 1
640 2 53 PHE H 2 59 SER HA 5.500 . 6.500 5.102 4.500 5.520 . 0 0 "[ . 1]" 1
641 2 53 PHE H 2 53 PHE HB2 3.300 . 3.800 2.255 2.194 2.326 . 0 0 "[ . 1]" 1
642 2 53 PHE H 2 53 PHE HB3 3.300 . 3.800 3.527 3.483 3.589 . 0 0 "[ . 1]" 1
643 2 52 GLU HB2 2 53 PHE H 4.500 . 5.250 4.174 3.920 4.323 . 0 0 "[ . 1]" 1
644 2 51 ILE MG 2 53 PHE H 5.500 . 6.500 4.661 4.351 4.870 . 0 0 "[ . 1]" 1
645 2 34 LEU MD1 2 36 MET H 5.500 . 6.500 4.889 4.428 6.070 . 0 0 "[ . 1]" 1
646 2 34 LEU MD2 2 36 MET H 5.500 . 6.500 4.889 3.626 5.717 . 0 0 "[ . 1]" 1
647 2 36 MET H 2 49 ALA MB 4.500 . 5.250 4.177 3.954 4.310 . 0 0 "[ . 1]" 1
648 2 35 LYS HG3 2 36 MET H 4.500 . 5.250 4.199 2.387 5.128 . 0 0 "[ . 1]" 1
649 2 35 LYS HG2 2 36 MET H 4.500 . 5.250 4.195 3.030 4.637 . 0 0 "[ . 1]" 1
650 2 35 LYS QD 2 36 MET H 4.500 . 5.250 4.484 3.105 5.275 0.025 5 0 "[ . 1]" 1
651 2 36 MET H 2 36 MET ME 5.500 . 6.500 5.626 5.240 5.891 . 0 0 "[ . 1]" 1
652 2 18 GLU HB2 2 36 MET H 4.500 . 5.250 4.890 4.348 5.314 0.064 6 0 "[ . 1]" 1
653 2 37 MET H 2 38 PHE QE 4.500 . 5.250 5.104 4.880 5.298 0.048 4 0 "[ . 1]" 1
654 2 36 MET HA 2 37 MET H 3.300 . 3.800 2.242 2.207 2.288 . 0 0 "[ . 1]" 1
655 2 37 MET H 2 49 ALA HA 3.500 . 4.200 3.234 2.593 3.726 . 0 0 "[ . 1]" 1
656 2 36 MET HB3 2 37 MET H 4.500 . 5.250 3.954 3.784 4.207 . 0 0 "[ . 1]" 1
657 2 36 MET HB2 2 37 MET H 4.500 . 5.250 4.274 3.747 4.454 . 0 0 "[ . 1]" 1
658 2 37 MET HB3 2 38 PHE H 4.500 . 5.250 3.490 2.338 4.115 . 0 0 "[ . 1]" 1
659 2 39 ASP H 2 48 TYR H 5.500 . 6.500 5.120 4.375 5.628 . 0 0 "[ . 1]" 1
660 2 39 ASP H 2 40 PRO HA 5.500 . 6.500 5.070 4.646 5.770 . 0 0 "[ . 1]" 1
661 2 39 ASP H 2 46 LYS HA 3.500 . 4.200 2.745 1.651 4.268 0.149 7 0 "[ . 1]" 1
662 2 39 ASP H 2 40 PRO HD2 4.500 . 5.250 4.544 3.990 5.145 . 0 0 "[ . 1]" 1
663 2 39 ASP H 2 45 SER QB 4.500 . 5.250 4.229 1.966 5.101 . 0 0 "[ . 1]" 1
664 2 39 ASP H 2 44 ARG HB2 5.500 . 6.500 6.217 5.642 6.637 0.137 7 0 "[ . 1]" 1
665 2 39 ASP HA 2 41 GLN H 3.500 . 4.200 4.023 3.367 4.344 0.144 7 0 "[ . 1]" 1
666 2 40 PRO HD2 2 41 GLN H 3.500 . 4.200 2.676 1.836 3.402 . 0 0 "[ . 1]" 1
667 2 40 PRO HD3 2 41 GLN H 4.500 . 5.250 3.913 3.329 4.436 . 0 0 "[ . 1]" 1
668 2 40 PRO QG 2 41 GLN H 2.800 . 3.100 2.560 1.940 3.180 0.080 6 0 "[ . 1]" 1
669 2 41 GLN H 2 42 THR MG 3.500 . 4.200 3.815 3.346 4.083 . 0 0 "[ . 1]" 1
670 2 41 GLN HB3 2 41 GLN HE21 3.500 . 4.200 2.705 1.965 3.203 . 0 0 "[ . 1]" 1
671 2 42 THR H 2 44 ARG H 4.500 . 5.250 4.506 3.778 5.144 . 0 0 "[ . 1]" 1
672 2 40 PRO HD2 2 42 THR H 4.500 . 5.250 3.917 2.059 5.004 . 0 0 "[ . 1]" 1
673 2 42 THR H 2 43 GLY HA2 5.500 . 6.500 4.945 4.028 5.206 . 0 0 "[ . 1]" 1
674 2 42 THR H 2 43 GLY HA3 5.500 . 6.500 5.152 4.474 5.313 . 0 0 "[ . 1]" 1
675 2 41 GLN HB2 2 42 THR H 3.500 . 4.200 3.453 2.189 4.058 . 0 0 "[ . 1]" 1
676 2 41 GLN HB3 2 42 THR H 3.500 . 4.200 2.565 2.026 3.639 . 0 0 "[ . 1]" 1
677 2 41 GLN HG2 2 42 THR H 4.500 . 5.250 3.870 3.195 4.955 . 0 0 "[ . 1]" 1
678 2 41 GLN HG3 2 42 THR H 4.500 . 5.250 4.568 4.159 5.092 . 0 0 "[ . 1]" 1
679 2 42 THR H 2 44 ARG QG 4.500 . 5.250 5.117 4.658 5.323 0.073 1 0 "[ . 1]" 1
680 2 39 ASP H 2 43 GLY H 5.500 . 6.500 5.144 4.445 5.743 . 0 0 "[ . 1]" 1
681 2 40 PRO HA 2 43 GLY H 5.500 . 6.500 4.674 4.000 5.283 . 0 0 "[ . 1]" 1
682 2 41 GLN HA 2 43 GLY H 4.500 . 5.250 4.575 4.171 5.283 0.033 10 0 "[ . 1]" 1
683 2 42 THR HB 2 43 GLY H 4.500 . 5.250 3.795 3.503 4.163 . 0 0 "[ . 1]" 1
684 2 43 GLY H 2 44 ARG QG 3.500 . 4.200 4.031 3.707 4.316 0.116 2 0 "[ . 1]" 1
685 2 42 THR MG 2 44 ARG H 4.500 . 5.250 3.772 2.110 4.566 . 0 0 "[ . 1]" 1
686 2 44 ARG H 2 44 ARG HB2 3.300 . 3.800 2.581 2.408 3.101 . 0 0 "[ . 1]" 1
687 2 44 ARG H 2 44 ARG QG 2.800 . 3.100 2.318 1.974 2.624 . 0 0 "[ . 1]" 1
688 2 44 ARG H 2 44 ARG HB3 3.500 . 4.200 3.692 3.603 3.942 . 0 0 "[ . 1]" 1
689 2 44 ARG H 2 44 ARG QD 4.500 . 5.250 3.943 3.560 4.321 . 0 0 "[ . 1]" 1
690 2 44 ARG H 2 45 SER H 4.500 . 5.250 2.712 2.490 2.790 . 0 0 "[ . 1]" 1
691 2 39 ASP H 2 44 ARG H 5.500 . 6.500 5.344 4.789 6.048 . 0 0 "[ . 1]" 1
692 2 44 ARG HA 2 45 SER H 3.300 . 3.800 3.577 3.564 3.593 . 0 0 "[ . 1]" 1
693 2 45 SER H 2 45 SER QB 3.500 . 4.200 2.868 2.274 3.100 . 0 0 "[ . 1]" 1
694 2 44 ARG HB3 2 45 SER H 4.500 . 5.250 3.431 2.885 3.754 . 0 0 "[ . 1]" 1
695 2 44 ARG HB2 2 45 SER H 4.500 . 5.250 2.350 1.795 2.809 0.005 7 0 "[ . 1]" 1
696 2 44 ARG QG 2 45 SER H 4.500 . 5.250 3.899 3.323 4.164 . 0 0 "[ . 1]" 1
697 2 80 TYR H 2 81 SER H 4.500 . 5.250 3.204 1.715 4.477 0.085 3 0 "[ . 1]" 1
698 2 81 SER H 2 82 SER H 4.500 . 5.250 3.798 1.799 4.665 0.001 10 0 "[ . 1]" 1
699 2 81 SER H 2 81 SER HB3 3.300 . 3.800 2.911 2.100 3.656 . 0 0 "[ . 1]" 1
700 2 81 SER H 2 81 SER HB2 3.300 . 3.800 3.164 2.221 3.832 0.032 8 0 "[ . 1]" 1
701 2 6 VAL HB 2 81 SER H 4.500 . 5.250 4.163 3.043 5.113 . 0 0 "[ . 1]" 1
702 2 6 VAL MG2 2 81 SER H 4.500 . 5.250 3.791 2.475 5.278 0.028 10 0 "[ . 1]" 1
703 2 6 VAL MG1 2 81 SER H 4.500 . 5.250 3.178 1.683 5.042 0.117 6 0 "[ . 1]" 1
704 2 38 PHE HA 2 46 LYS H 4.500 . 5.250 5.217 4.845 5.415 0.165 5 0 "[ . 1]" 1
705 2 45 SER HA 2 47 GLY H 4.500 . 5.250 4.545 3.409 5.263 0.013 9 0 "[ . 1]" 1
706 2 12 ILE HB 2 47 GLY H 5.500 . 6.500 5.437 4.090 6.761 0.261 7 0 "[ . 1]" 1
707 2 12 ILE MD 2 48 TYR H 5.500 . 6.500 5.146 4.111 5.801 . 0 0 "[ . 1]" 1
708 2 48 TYR H 2 48 TYR QD 4.500 . 5.250 3.488 2.728 4.153 . 0 0 "[ . 1]" 1
709 2 47 GLY H 2 48 TYR H 3.500 . 4.200 3.400 2.026 4.271 0.071 7 0 "[ . 1]" 1
710 2 49 ALA H 2 49 ALA MB 3.300 . 3.800 2.646 2.609 2.679 . 0 0 "[ . 1]" 1
711 2 48 TYR QD 2 49 ALA H 3.500 . 4.200 3.511 2.831 4.201 0.001 9 0 "[ . 1]" 1
712 2 9 LEU H 2 49 ALA H 3.500 . 4.200 3.047 2.711 3.322 . 0 0 "[ . 1]" 1
713 2 35 LYS H 2 50 PHE H 3.500 . 4.200 2.974 2.701 3.168 . 0 0 "[ . 1]" 1
714 2 50 PHE H 2 50 PHE QE 5.500 . 6.500 5.013 4.574 5.486 . 0 0 "[ . 1]" 1
715 2 50 PHE H 2 50 PHE QD 4.500 . 5.250 3.221 2.553 3.853 . 0 0 "[ . 1]" 1
716 2 36 MET HA 2 50 PHE H 3.500 . 4.200 3.924 3.773 4.119 . 0 0 "[ . 1]" 1
717 2 35 LYS QB 2 50 PHE H 4.500 . 5.250 2.712 2.510 2.961 . 0 0 "[ . 1]" 1
718 2 50 PHE H 2 51 ILE H 4.500 . 5.250 4.400 4.315 4.447 . 0 0 "[ . 1]" 1
719 2 8 TYR HA 2 51 ILE H 4.500 . 5.250 3.659 2.933 4.153 . 0 0 "[ . 1]" 1
720 2 34 LEU HA 2 51 ILE H 5.500 . 6.500 4.911 4.787 5.047 . 0 0 "[ . 1]" 1
721 2 50 PHE HB3 2 51 ILE H 4.500 . 5.250 3.350 3.119 3.483 . 0 0 "[ . 1]" 1
722 2 51 ILE H 2 51 ILE HB 3.500 . 4.200 2.704 2.608 2.794 . 0 0 "[ . 1]" 1
723 2 51 ILE H 2 51 ILE QG 3.300 . 3.800 3.055 2.860 3.272 . 0 0 "[ . 1]" 1
724 2 51 ILE H 2 51 ILE MG 3.500 . 4.200 3.870 3.841 3.912 . 0 0 "[ . 1]" 1
725 2 55 ASP H 2 59 SER H 3.500 . 4.200 2.603 2.478 2.683 . 0 0 "[ . 1]" 1
726 2 54 ARG H 2 55 ASP H 3.300 . 3.800 2.895 2.800 3.028 . 0 0 "[ . 1]" 1
727 2 55 ASP H 2 58 SER H 3.500 . 4.200 3.145 3.067 3.288 . 0 0 "[ . 1]" 1
728 2 55 ASP H 2 57 GLU H 4.500 . 5.250 3.855 3.808 3.908 . 0 0 "[ . 1]" 1
729 2 55 ASP H 2 56 LEU HA 5.500 . 6.500 5.092 5.012 5.148 . 0 0 "[ . 1]" 1
730 2 54 ARG QD 2 55 ASP H 4.500 . 5.250 4.640 3.347 5.250 . 0 0 "[ . 1]" 1
731 2 55 ASP H 2 55 ASP HB3 3.300 . 3.800 3.913 3.476 3.996 0.196 5 0 "[ . 1]" 1
732 2 53 PHE HB3 2 55 ASP H 4.500 . 5.250 2.794 2.644 3.008 . 0 0 "[ . 1]" 1
733 2 55 ASP H 2 55 ASP HB2 3.300 . 3.800 3.280 3.172 3.619 . 0 0 "[ . 1]" 1
734 2 54 ARG HB3 2 55 ASP H 3.500 . 4.200 2.751 2.438 3.746 . 0 0 "[ . 1]" 1
735 2 54 ARG HB2 2 55 ASP H 3.500 . 4.200 3.508 2.525 3.860 . 0 0 "[ . 1]" 1
736 2 56 LEU H 2 57 GLU H 3.300 . 3.800 2.998 2.932 3.076 . 0 0 "[ . 1]" 1
737 2 57 GLU H 2 59 SER H 3.500 . 4.200 3.648 3.584 3.701 . 0 0 "[ . 1]" 1
738 2 57 GLU H 2 60 ALA H 4.500 . 5.250 4.013 3.943 4.059 . 0 0 "[ . 1]" 1
739 2 55 ASP HA 2 57 GLU H 4.500 . 5.250 4.081 3.992 4.136 . 0 0 "[ . 1]" 1
740 2 55 ASP HB3 2 57 GLU H 3.500 . 4.200 2.682 2.429 2.821 . 0 0 "[ . 1]" 1
741 2 55 ASP HB2 2 57 GLU H 3.500 . 4.200 3.416 3.287 4.078 . 0 0 "[ . 1]" 1
742 2 57 GLU H 2 57 GLU HB3 3.300 . 3.800 3.425 2.572 3.661 . 0 0 "[ . 1]" 1
743 2 57 GLU H 2 57 GLU HB2 2.800 . 3.100 2.520 2.234 2.606 . 0 0 "[ . 1]" 1
744 2 56 LEU HB3 2 57 GLU H 3.500 . 4.200 3.868 3.771 4.082 . 0 0 "[ . 1]" 1
745 2 56 LEU HB2 2 57 GLU H 3.500 . 4.200 3.109 3.015 3.195 . 0 0 "[ . 1]" 1
746 2 56 LEU MD2 2 57 GLU H 4.500 . 5.250 4.581 3.939 5.172 . 0 0 "[ . 1]" 1
747 2 56 LEU MD1 2 57 GLU H 4.500 . 5.250 4.528 4.088 4.971 . 0 0 "[ . 1]" 1
748 2 53 PHE QD 2 59 SER H 5.500 . 6.500 4.402 4.104 4.597 . 0 0 "[ . 1]" 1
749 2 55 ASP HA 2 59 SER H 4.500 . 5.250 4.309 4.202 4.412 . 0 0 "[ . 1]" 1
750 2 56 LEU HA 2 59 SER H 3.500 . 4.200 3.965 3.836 4.103 . 0 0 "[ . 1]" 1
751 2 58 SER HB3 2 59 SER H 3.500 . 4.200 3.645 2.670 3.945 . 0 0 "[ . 1]" 1
752 2 59 SER H 2 59 SER QB 3.300 . 3.800 2.332 2.092 2.767 . 0 0 "[ . 1]" 1
753 2 53 PHE HB2 2 59 SER H 4.500 . 5.250 3.734 3.146 4.133 . 0 0 "[ . 1]" 1
754 2 58 SER HB2 2 59 SER H 3.500 . 4.200 2.899 2.474 3.806 . 0 0 "[ . 1]" 1
755 2 53 PHE HB3 2 59 SER H 4.500 . 5.250 2.970 2.831 3.085 . 0 0 "[ . 1]" 1
756 2 63 VAL H 2 66 LEU HG 5.500 . 6.500 5.637 4.580 6.630 0.130 10 0 "[ . 1]" 1
757 2 63 VAL H 2 64 ARG QB 4.500 . 5.250 4.833 4.633 5.044 . 0 0 "[ . 1]" 1
758 2 63 VAL H 2 63 VAL MG1 3.500 . 4.200 3.407 1.945 3.782 . 0 0 "[ . 1]" 1
759 2 63 VAL H 2 63 VAL MG2 3.500 . 4.200 2.428 1.826 3.505 . 0 0 "[ . 1]" 1
760 2 61 SER H 2 62 ALA MB 4.500 . 5.250 4.497 4.442 4.570 . 0 0 "[ . 1]" 1
761 2 59 SER QB 2 61 SER H 4.500 . 5.250 5.075 4.962 5.162 . 0 0 "[ . 1]" 1
762 2 59 SER H 2 61 SER H 4.500 . 5.250 4.586 4.460 4.673 . 0 0 "[ . 1]" 1
763 2 58 SER H 2 61 SER H 4.500 . 5.250 5.028 4.973 5.069 . 0 0 "[ . 1]" 1
764 2 53 PHE QD 2 62 ALA H 4.500 . 5.250 5.291 5.112 5.380 0.130 10 0 "[ . 1]" 1
765 2 53 PHE HZ 2 62 ALA H 5.500 . 6.500 6.219 5.865 6.525 0.025 2 0 "[ . 1]" 1
766 2 60 ALA HA 2 62 ALA H 4.500 . 5.250 4.653 4.513 4.768 . 0 0 "[ . 1]" 1
767 2 60 ALA MB 2 62 ALA H 4.500 . 5.250 4.247 4.187 4.303 . 0 0 "[ . 1]" 1
768 2 28 VAL MG1 2 62 ALA H 4.500 . 5.250 3.386 2.569 4.004 . 0 0 "[ . 1]" 1
769 2 28 VAL MG2 2 62 ALA H 4.500 . 5.250 4.070 3.110 5.322 0.072 2 0 "[ . 1]" 1
770 2 62 ALA MB 2 64 ARG H 4.500 . 5.250 4.278 4.122 4.372 . 0 0 "[ . 1]" 1
771 2 60 ALA MB 2 64 ARG H 4.500 . 5.250 4.663 4.607 4.737 . 0 0 "[ . 1]" 1
772 2 62 ALA HA 2 64 ARG H 4.500 . 5.250 4.370 4.123 4.470 . 0 0 "[ . 1]" 1
773 2 60 ALA HA 2 64 ARG H 3.500 . 4.200 3.756 3.580 3.922 . 0 0 "[ . 1]" 1
774 2 62 ALA H 2 64 ARG H 3.500 . 4.200 3.849 3.797 3.899 . 0 0 "[ . 1]" 1
775 2 65 ASN H 2 65 ASN HD22 3.500 . 4.200 3.789 3.233 4.131 . 0 0 "[ . 1]" 1
776 2 65 ASN H 2 65 ASN HD21 3.500 . 4.200 3.089 1.835 3.706 . 0 0 "[ . 1]" 1
777 2 63 VAL H 2 65 ASN H 4.500 . 5.250 4.472 4.307 4.707 . 0 0 "[ . 1]" 1
778 2 63 VAL HA 2 65 ASN H 4.500 . 5.250 4.705 4.365 4.949 . 0 0 "[ . 1]" 1
779 2 65 ASN H 2 66 LEU QB 4.500 . 5.250 4.836 4.176 5.133 . 0 0 "[ . 1]" 1
780 2 62 ALA MB 2 65 ASN H 4.500 . 5.250 4.595 4.501 4.728 . 0 0 "[ . 1]" 1
781 2 28 VAL MG1 2 65 ASN H 5.500 . 6.500 5.127 4.539 5.440 . 0 0 "[ . 1]" 1
782 2 28 VAL MG2 2 65 ASN HD22 4.500 . 5.250 4.318 3.171 5.273 0.023 5 0 "[ . 1]" 1
783 2 28 VAL MG1 2 65 ASN HD22 5.500 . 6.500 5.326 4.264 6.435 . 0 0 "[ . 1]" 1
784 2 61 SER HA 2 65 ASN HD21 4.500 . 5.250 3.460 2.538 4.685 . 0 0 "[ . 1]" 1
785 2 61 SER HA 2 65 ASN HD22 4.500 . 5.250 3.181 2.957 3.473 . 0 0 "[ . 1]" 1
786 2 64 ARG HA 2 66 LEU H 5.500 . 6.500 4.854 4.597 5.411 . 0 0 "[ . 1]" 1
787 2 62 ALA HA 2 66 LEU H 3.500 . 4.200 3.057 2.198 3.536 . 0 0 "[ . 1]" 1
788 2 64 ARG QB 2 66 LEU H 4.500 . 5.250 4.653 4.533 4.781 . 0 0 "[ . 1]" 1
789 2 66 LEU H 2 66 LEU QB 3.300 . 3.800 2.577 2.134 2.944 . 0 0 "[ . 1]" 1
790 2 66 LEU H 2 66 LEU HG 3.500 . 4.200 2.683 2.007 4.388 0.188 4 0 "[ . 1]" 1
791 2 62 ALA MB 2 66 LEU H 3.500 . 4.200 3.938 3.545 4.233 0.033 9 0 "[ . 1]" 1
792 2 66 LEU H 2 66 LEU MD2 4.500 . 5.250 3.367 1.867 4.178 . 0 0 "[ . 1]" 1
793 2 28 VAL MG1 2 66 LEU H 4.500 . 5.250 4.667 3.587 5.282 0.032 5 0 "[ . 1]" 1
794 2 28 VAL MG2 2 66 LEU H 4.500 . 5.250 4.522 3.522 5.151 . 0 0 "[ . 1]" 1
795 2 66 LEU H 2 66 LEU MD1 4.500 . 5.250 3.580 2.643 3.812 . 0 0 "[ . 1]" 1
796 2 67 ASN H 2 67 ASN HD22 4.500 . 5.250 4.563 3.271 5.428 0.178 4 0 "[ . 1]" 1
797 2 67 ASN H 2 67 ASN HD21 3.500 . 4.200 3.893 2.853 4.348 0.148 4 0 "[ . 1]" 1
798 2 63 VAL HA 2 67 ASN H 5.500 . 6.500 3.947 2.979 4.632 . 0 0 "[ . 1]" 1
799 2 67 ASN H 2 67 ASN HB2 3.300 . 3.800 2.868 2.106 3.802 0.002 1 0 "[ . 1]" 1
800 2 65 ASN HB2 2 67 ASN H 5.500 . 6.500 5.099 4.616 6.476 . 0 0 "[ . 1]" 1
801 2 66 LEU QB 2 67 ASN H 3.300 . 3.800 3.644 3.287 3.858 0.058 7 0 "[ . 1]" 1
802 2 67 ASN H 2 76 LEU MD2 4.500 . 5.250 5.332 5.053 5.550 0.300 9 0 "[ . 1]" 1
803 2 66 LEU MD2 2 67 ASN H 4.500 . 5.250 4.658 4.064 5.342 0.092 4 0 "[ . 1]" 1
804 2 67 ASN H 2 76 LEU MD1 4.500 . 5.250 4.148 3.144 5.318 0.068 6 0 "[ . 1]" 1
805 2 63 VAL MG1 2 67 ASN H 4.500 . 5.250 4.601 3.799 5.401 0.151 10 0 "[ . 1]" 1
806 2 66 LEU MD1 2 67 ASN H 5.500 . 6.500 4.992 3.322 5.577 . 0 0 "[ . 1]" 1
807 2 67 ASN HB3 2 67 ASN HD21 3.500 . 4.200 2.806 2.245 3.507 . 0 0 "[ . 1]" 1
808 2 68 GLY H 2 69 TYR H 4.500 . 5.250 4.200 4.086 4.258 . 0 0 "[ . 1]" 1
809 2 67 ASN HA 2 68 GLY H 3.500 . 4.200 3.541 3.524 3.562 . 0 0 "[ . 1]" 1
810 2 67 ASN HB3 2 68 GLY H 4.500 . 5.250 2.600 1.796 3.731 0.004 3 0 "[ . 1]" 1
811 2 67 ASN HB2 2 68 GLY H 4.500 . 5.250 2.740 2.084 3.640 . 0 0 "[ . 1]" 1
812 2 68 GLY H 2 69 TYR HB3 4.500 . 5.250 4.454 4.239 4.559 . 0 0 "[ . 1]" 1
813 2 68 GLY H 2 75 PHE HB3 4.500 . 5.250 4.717 4.584 5.031 . 0 0 "[ . 1]" 1
814 2 69 TYR H 2 76 LEU QB 4.500 . 5.250 4.522 2.928 4.972 . 0 0 "[ . 1]" 1
815 2 69 TYR H 2 75 PHE HB3 5.500 . 6.500 2.146 1.869 2.809 . 0 0 "[ . 1]" 1
816 2 67 ASN H 2 69 TYR H 5.500 . 6.500 5.842 4.693 6.206 . 0 0 "[ . 1]" 1
817 2 69 TYR H 2 69 TYR QD 4.500 . 5.250 2.949 1.663 3.450 0.137 2 0 "[ . 1]" 1
818 2 69 TYR QD 2 70 GLN H 3.500 . 4.200 2.805 2.313 4.226 0.026 5 0 "[ . 1]" 1
819 2 70 GLN H 2 75 PHE QD 4.500 . 5.250 4.044 3.181 4.557 . 0 0 "[ . 1]" 1
820 2 70 GLN H 2 75 PHE QE 3.500 . 4.200 4.232 3.429 4.428 0.228 3 0 "[ . 1]" 1
821 2 70 GLN HA 2 70 GLN HE22 4.500 . 5.250 3.263 3.060 3.511 . 0 0 "[ . 1]" 1
822 2 69 TYR QD 2 71 LEU H 5.500 . 6.500 4.492 3.493 4.862 . 0 0 "[ . 1]" 1
823 2 70 GLN HE21 2 71 LEU H 5.500 . 6.500 3.439 2.752 4.087 . 0 0 "[ . 1]" 1
824 2 71 LEU H 2 75 PHE QD 4.500 . 5.250 2.106 1.760 3.244 0.040 3 0 "[ . 1]" 1
825 2 71 LEU H 2 75 PHE HA 3.500 . 4.200 3.393 3.129 3.810 . 0 0 "[ . 1]" 1
826 2 70 GLN HB3 2 71 LEU H 4.500 . 5.250 4.251 4.040 4.469 . 0 0 "[ . 1]" 1
827 2 71 LEU H 2 71 LEU HG 4.500 . 5.250 4.539 4.475 4.710 . 0 0 "[ . 1]" 1
828 2 70 GLN QG 2 71 LEU H 3.500 . 4.200 3.966 3.569 4.352 0.152 4 0 "[ . 1]" 1
829 2 71 LEU H 2 71 LEU MD1 4.500 . 5.250 4.533 4.316 4.825 . 0 0 "[ . 1]" 1
830 2 71 LEU H 2 71 LEU MD2 4.500 . 5.250 4.507 3.910 4.818 . 0 0 "[ . 1]" 1
831 2 71 LEU MD2 2 72 GLY H 4.500 . 5.250 3.806 2.633 4.590 . 0 0 "[ . 1]" 1
832 2 71 LEU MD1 2 72 GLY H 4.500 . 5.250 3.316 1.903 5.035 . 0 0 "[ . 1]" 1
833 2 71 LEU HB3 2 72 GLY H 4.500 . 5.250 4.165 3.938 4.320 . 0 0 "[ . 1]" 1
834 2 71 LEU HG 2 72 GLY H 3.500 . 4.200 2.933 2.197 3.963 . 0 0 "[ . 1]" 1
835 2 71 LEU HB2 2 72 GLY H 4.500 . 5.250 4.333 4.154 4.637 . 0 0 "[ . 1]" 1
836 2 73 SER H 2 74 ARG H 3.500 . 4.200 2.468 2.235 2.658 . 0 0 "[ . 1]" 1
837 2 74 ARG H 2 74 ARG QD 4.500 . 5.250 4.622 4.330 5.257 0.007 2 0 "[ . 1]" 1
838 2 74 ARG H 2 74 ARG HB3 3.500 . 4.200 3.536 2.813 3.899 . 0 0 "[ . 1]" 1
839 2 74 ARG H 2 74 ARG HB2 3.500 . 4.200 2.811 2.553 3.234 . 0 0 "[ . 1]" 1
840 2 12 ILE QG 2 74 ARG H 4.500 . 5.250 4.635 3.419 5.452 0.202 7 0 "[ . 1]" 1
841 2 73 SER QB 2 74 ARG H 3.500 . 4.200 3.253 2.827 3.697 . 0 0 "[ . 1]" 1
842 2 73 SER HA 2 74 ARG H 3.300 . 3.800 3.433 3.347 3.494 . 0 0 "[ . 1]" 1
843 2 74 ARG H 2 75 PHE H 3.500 . 4.200 4.391 4.330 4.421 0.221 10 0 "[ . 1]" 1
844 2 75 PHE H 2 75 PHE QD 3.500 . 4.200 2.891 2.182 3.204 . 0 0 "[ . 1]" 1
845 2 74 ARG HA 2 75 PHE H 3.300 . 3.800 2.357 2.216 2.465 . 0 0 "[ . 1]" 1
846 2 75 PHE H 2 75 PHE HB2 3.500 . 4.200 2.763 2.563 2.844 . 0 0 "[ . 1]" 1
847 2 74 ARG HB3 2 75 PHE H 3.500 . 4.200 2.892 2.500 3.847 . 0 0 "[ . 1]" 1
848 2 74 ARG HB2 2 75 PHE H 3.500 . 4.200 3.869 3.535 4.079 . 0 0 "[ . 1]" 1
849 2 75 PHE H 2 76 LEU H 4.500 . 5.250 4.547 4.487 4.595 . 0 0 "[ . 1]" 1
850 2 75 PHE QD 2 76 LEU H 3.500 . 4.200 4.297 4.205 4.378 0.178 2 0 "[ . 1]" 1
851 2 69 TYR H 2 76 LEU H 5.500 . 6.500 3.212 2.655 3.553 . 0 0 "[ . 1]" 1
852 2 69 TYR QD 2 76 LEU H 5.500 . 6.500 4.529 3.596 5.081 . 0 0 "[ . 1]" 1
853 2 75 PHE HA 2 76 LEU H 2.800 . 3.100 2.202 2.151 2.232 . 0 0 "[ . 1]" 1
854 2 67 ASN HA 2 76 LEU H 5.500 . 6.500 6.447 6.079 6.621 0.121 5 0 "[ . 1]" 1
855 2 75 PHE HB2 2 76 LEU H 4.500 . 5.250 3.851 3.740 4.047 . 0 0 "[ . 1]" 1
856 2 75 PHE HB3 2 76 LEU H 3.500 . 4.200 3.176 2.991 3.413 . 0 0 "[ . 1]" 1
857 2 76 LEU H 2 76 LEU QB 2.800 . 3.100 2.906 2.497 3.029 . 0 0 "[ . 1]" 1
858 2 76 LEU H 2 76 LEU HG 3.500 . 4.200 2.022 1.760 2.914 0.040 3 0 "[ . 1]" 1
859 2 76 LEU H 2 76 LEU MD2 3.500 . 4.200 3.022 1.786 4.053 0.014 1 0 "[ . 1]" 1
860 2 76 LEU H 2 76 LEU MD1 3.500 . 4.200 2.303 1.704 3.750 0.096 2 0 "[ . 1]" 1
861 2 81 SER HB2 2 82 SER H 5.500 . 6.500 4.213 2.610 4.666 . 0 0 "[ . 1]" 1
862 2 38 PHE H 2 38 PHE QE 3.500 . 4.200 3.944 3.455 4.258 0.058 4 0 "[ . 1]" 1
863 2 50 PHE HA 2 50 PHE QD 3.500 . 4.200 2.241 1.952 2.783 . 0 0 "[ . 1]" 1
864 2 48 TYR HA 2 48 TYR QD 3.500 . 4.200 2.509 2.127 3.171 . 0 0 "[ . 1]" 1
865 2 7 VAL HA 2 8 TYR QD 4.500 . 5.250 3.617 2.881 4.094 . 0 0 "[ . 1]" 1
866 2 69 TYR QE 2 71 LEU HA 4.500 . 5.250 4.248 3.831 5.073 . 0 0 "[ . 1]" 1
867 2 51 ILE MG 2 53 PHE HZ 3.500 . 4.200 3.939 3.494 4.179 . 0 0 "[ . 1]" 1
868 2 50 PHE HA 2 50 PHE QE 4.500 . 5.250 4.396 4.254 4.540 . 0 0 "[ . 1]" 1
869 2 14 TYR HA 2 14 TYR QD 3.500 . 4.200 2.585 2.164 3.003 . 0 0 "[ . 1]" 1
870 2 70 GLN HA 2 70 GLN HE21 3.500 . 4.200 1.815 1.760 1.959 0.040 5 0 "[ . 1]" 1
871 2 10 GLY HA2 2 48 TYR QD 4.500 . 5.250 2.653 2.391 3.145 . 0 0 "[ . 1]" 1
872 2 6 VAL MG1 2 50 PHE QE 5.500 . 6.500 5.674 4.686 6.550 0.050 8 0 "[ . 1]" 1
873 2 6 VAL MG2 2 50 PHE QE 5.500 . 6.500 5.708 4.909 6.799 0.299 3 0 "[ . 1]" 1
874 2 22 LEU QD 2 24 LEU H 5.500 . 6.500 5.252 4.607 5.789 . 0 0 "[ . 1]" 1
875 2 48 TYR H 2 48 TYR HB3 3.500 . 4.200 3.460 2.337 3.867 . 0 0 "[ . 1]" 1
876 2 53 PHE QD 2 58 SER HB2 4.500 . 5.250 2.782 2.282 3.476 . 0 0 "[ . 1]" 1
877 2 14 TYR HA 2 14 TYR QE 5.500 . 6.500 4.417 4.188 4.630 . 0 0 "[ . 1]" 1
878 2 70 GLN HA 2 75 PHE QE 4.500 . 5.250 2.288 2.201 2.790 . 0 0 "[ . 1]" 1
879 2 51 ILE MG 2 52 GLU HA 4.500 . 5.250 4.194 3.684 4.358 . 0 0 "[ . 1]" 1
880 2 51 ILE MG 2 53 PHE HA 4.500 . 5.250 4.294 4.062 4.652 . 0 0 "[ . 1]" 1
881 2 9 LEU HA 2 12 ILE MD 3.500 . 4.200 2.907 2.235 3.366 . 0 0 "[ . 1]" 1
882 2 31 VAL MG2 2 53 PHE HA 4.500 . 5.250 4.187 3.385 4.895 . 0 0 "[ . 1]" 1
883 2 9 LEU HA 2 9 LEU MD1 3.500 . 4.200 2.840 2.192 3.851 . 0 0 "[ . 1]" 1
884 2 34 LEU HA 2 51 ILE MG 3.500 . 4.200 3.201 2.903 3.479 . 0 0 "[ . 1]" 1
885 2 50 PHE HA 2 51 ILE QG 5.500 . 6.500 4.022 3.710 4.346 . 0 0 "[ . 1]" 1
886 2 50 PHE HA 2 51 ILE HB 5.500 . 6.500 4.745 4.653 4.851 . 0 0 "[ . 1]" 1
887 2 9 LEU MD1 2 48 TYR HA 5.500 . 6.500 5.805 5.187 6.124 . 0 0 "[ . 1]" 1
888 2 12 ILE MG 2 48 TYR HA 5.500 . 6.500 6.029 5.496 6.517 0.017 5 0 "[ . 1]" 1
889 2 9 LEU MD2 2 48 TYR HA 5.500 . 6.500 5.750 5.053 6.387 . 0 0 "[ . 1]" 1
890 2 48 TYR HA 2 49 ALA MB 4.500 . 5.250 3.970 3.908 4.037 . 0 0 "[ . 1]" 1
891 2 12 ILE HB 2 48 TYR HA 5.500 . 6.500 5.080 4.226 5.762 . 0 0 "[ . 1]" 1
892 2 12 ILE QG 2 48 TYR HA 5.500 . 6.500 5.751 4.840 6.281 . 0 0 "[ . 1]" 1
893 2 7 VAL HA 2 7 VAL MG2 3.500 . 4.200 2.526 2.314 2.819 . 0 0 "[ . 1]" 1
894 2 9 LEU HA 2 9 LEU MD2 3.500 . 4.200 2.755 2.154 3.687 . 0 0 "[ . 1]" 1
895 2 1 ASN HA 2 2 PRO HA 4.500 . 5.250 4.596 4.384 4.844 . 0 0 "[ . 1]" 1
896 2 55 ASP HA 2 56 LEU HB2 4.500 . 5.250 5.084 5.026 5.293 0.043 1 0 "[ . 1]" 1
897 2 33 ASN HB2 2 52 GLU HA 4.500 . 5.250 4.597 4.378 4.763 . 0 0 "[ . 1]" 1
898 2 10 GLY HA2 2 48 TYR HB2 4.500 . 5.250 4.576 3.599 4.928 . 0 0 "[ . 1]" 1
899 2 16 GLN HA 2 20 GLN HB3 3.500 . 4.200 3.399 2.748 3.840 . 0 0 "[ . 1]" 1
900 2 5 ARG QD 2 55 ASP HA 3.500 . 4.200 3.580 2.383 4.303 0.103 10 0 "[ . 1]" 1
901 2 35 LYS HA 2 35 LYS QE 4.500 . 5.250 4.482 3.808 4.994 . 0 0 "[ . 1]" 1
902 2 63 VAL HA 2 66 LEU HA 5.500 . 6.500 5.272 4.739 5.634 . 0 0 "[ . 1]" 1
903 2 63 VAL HA 2 67 ASN HA 5.500 . 6.500 3.072 2.503 3.688 . 0 0 "[ . 1]" 1
904 2 31 VAL HA 2 53 PHE HA 3.500 . 4.200 2.471 2.290 2.766 . 0 0 "[ . 1]" 1
905 2 48 TYR HA 2 48 TYR QE 4.500 . 5.250 4.287 4.122 4.948 . 0 0 "[ . 1]" 1
906 2 9 LEU HA 2 48 TYR QE 5.500 . 6.500 6.010 5.213 6.645 0.145 10 0 "[ . 1]" 1
907 2 51 ILE HA 2 52 GLU HA 4.500 . 5.250 4.534 4.494 4.553 . 0 0 "[ . 1]" 1
908 2 24 LEU MD1 2 27 ASN H 5.500 . 6.500 4.891 4.439 6.016 . 0 0 "[ . 1]" 1
909 2 51 ILE MG 2 53 PHE QD 3.500 . 4.200 3.658 3.417 3.988 . 0 0 "[ . 1]" 1
910 2 70 GLN QG 2 75 PHE QE 4.500 . 5.250 3.482 2.260 4.136 . 0 0 "[ . 1]" 1
911 2 53 PHE QD 2 62 ALA MB 3.500 . 4.200 3.242 3.112 3.376 . 0 0 "[ . 1]" 1
912 2 24 LEU MD1 2 69 TYR QD 3.500 . 4.200 3.443 3.163 4.234 0.034 5 0 "[ . 1]" 1
913 2 6 VAL MG1 2 8 TYR QE 3.500 . 4.200 2.461 1.984 4.036 . 0 0 "[ . 1]" 1
914 2 69 TYR QD 2 71 LEU MD2 4.500 . 5.250 4.020 3.417 4.940 . 0 0 "[ . 1]" 1
915 2 6 VAL MG2 2 8 TYR QE 3.500 . 4.200 2.878 1.945 4.202 0.002 4 0 "[ . 1]" 1
916 2 69 TYR QD 2 76 LEU MD2 4.500 . 5.250 3.102 2.147 3.770 . 0 0 "[ . 1]" 1
917 2 69 TYR QD 2 76 LEU HG 5.500 . 6.500 4.156 3.474 4.963 . 0 0 "[ . 1]" 1
918 2 69 TYR QD 2 71 LEU HG 5.500 . 6.500 5.643 4.864 5.947 . 0 0 "[ . 1]" 1
919 2 24 LEU MD2 2 69 TYR QE 3.300 . 3.800 2.359 1.960 2.799 . 0 0 "[ . 1]" 1
920 2 24 LEU MD1 2 69 TYR QE 3.300 . 3.800 2.453 2.131 3.217 . 0 0 "[ . 1]" 1
921 2 69 TYR QE 2 71 LEU MD2 3.500 . 4.200 3.067 2.248 4.248 0.048 9 0 "[ . 1]" 1
922 2 12 ILE MD 2 48 TYR QD 4.500 . 5.250 4.583 3.722 5.304 0.054 10 0 "[ . 1]" 1
923 2 4 SER H 2 56 LEU MD1 3.500 . 4.200 3.765 2.777 4.260 0.060 3 0 "[ . 1]" 1
924 2 69 TYR QE 2 71 LEU HB3 3.500 . 4.200 3.712 2.267 4.228 0.028 7 0 "[ . 1]" 1
925 2 41 GLN HE21 2 42 THR MG 3.500 . 4.200 3.673 2.878 4.221 0.021 7 0 "[ . 1]" 1
926 2 36 MET HG3 2 38 PHE QD 4.500 . 5.250 4.699 4.279 4.949 . 0 0 "[ . 1]" 1
927 2 69 TYR QE 2 71 LEU HB2 3.500 . 4.200 2.847 2.706 2.986 . 0 0 "[ . 1]" 1
928 2 24 LEU HB2 2 69 TYR QE 4.500 . 5.250 5.274 5.112 5.376 0.126 3 0 "[ . 1]" 1
929 2 53 PHE HZ 2 66 LEU QB 5.500 . 6.500 4.786 3.938 6.548 0.048 1 0 "[ . 1]" 1
930 2 36 MET HG2 2 38 PHE QD 4.500 . 5.250 4.873 4.382 5.128 . 0 0 "[ . 1]" 1
931 2 38 PHE QD 2 40 PRO QG 3.500 . 4.200 4.243 4.182 4.282 0.082 3 0 "[ . 1]" 1
932 2 41 GLN HB2 2 41 GLN HE21 3.500 . 4.200 3.453 2.051 4.179 . 0 0 "[ . 1]" 1
933 2 70 GLN HB2 2 70 GLN HE21 3.500 . 4.200 3.247 1.866 4.118 . 0 0 "[ . 1]" 1
934 2 69 TYR QD 2 71 LEU HB2 3.500 . 4.200 3.289 2.499 3.658 . 0 0 "[ . 1]" 1
935 2 6 VAL HB 2 8 TYR QE 4.500 . 5.250 3.498 2.264 4.823 . 0 0 "[ . 1]" 1
936 2 31 VAL HB 2 53 PHE QD 4.500 . 5.250 4.948 3.970 5.413 0.163 6 0 "[ . 1]" 1
937 2 35 LYS QB 2 50 PHE QD 5.500 . 6.500 4.074 2.982 4.649 . 0 0 "[ . 1]" 1
938 2 52 GLU HB3 2 53 PHE QD 5.500 . 6.500 6.012 5.609 6.262 . 0 0 "[ . 1]" 1
939 2 7 VAL HB 2 53 PHE QD 5.500 . 6.500 4.471 4.055 5.057 . 0 0 "[ . 1]" 1
940 2 31 VAL HB 2 53 PHE QE 4.500 . 5.250 4.848 4.063 5.281 0.031 1 0 "[ . 1]" 1
941 2 16 GLN H 2 16 GLN HG3 3.500 . 4.200 2.453 1.835 3.873 . 0 0 "[ . 1]" 1
942 2 16 GLN H 2 16 GLN HB3 3.500 . 4.200 3.605 3.338 3.806 . 0 0 "[ . 1]" 1
943 2 53 PHE QD 2 59 SER QB 4.500 . 5.250 4.319 3.838 4.640 . 0 0 "[ . 1]" 1
944 2 68 GLY HA2 2 75 PHE QD 3.500 . 4.200 4.241 4.030 4.332 0.132 1 0 "[ . 1]" 1
945 2 31 VAL HA 2 53 PHE QD 3.500 . 4.200 2.929 2.600 3.186 . 0 0 "[ . 1]" 1
946 2 53 PHE HZ 2 62 ALA HA 4.500 . 5.250 5.071 4.793 5.280 0.030 8 0 "[ . 1]" 1
947 2 53 PHE QE 2 59 SER QB 5.500 . 6.500 5.903 5.406 6.191 . 0 0 "[ . 1]" 1
948 2 37 MET ME 2 50 PHE QE 5.500 . 6.500 5.368 2.787 6.731 0.231 7 0 "[ . 1]" 1
949 2 48 TYR QD 2 50 PHE QE 4.500 . 5.250 3.580 2.325 5.176 . 0 0 "[ . 1]" 1
950 2 14 TYR QD 2 38 PHE QE 3.500 . 4.200 4.124 3.649 4.417 0.217 7 0 "[ . 1]" 1
951 2 52 GLU HA 2 53 PHE QD 3.500 . 4.200 4.038 3.632 4.226 0.026 8 0 "[ . 1]" 1
952 2 53 PHE HA 2 53 PHE QD 3.500 . 4.200 2.854 2.785 2.908 . 0 0 "[ . 1]" 1
953 2 38 PHE HA 2 48 TYR H 3.500 . 4.200 2.949 2.576 3.843 . 0 0 "[ . 1]" 1
954 2 26 SER HA 2 53 PHE QE 4.500 . 5.250 3.111 2.299 4.934 . 0 0 "[ . 1]" 1
955 2 7 VAL HA 2 8 TYR QE 4.500 . 5.250 4.616 3.542 5.286 0.036 3 0 "[ . 1]" 1
956 2 51 ILE HA 2 51 ILE MG 3.300 . 3.800 2.207 2.144 2.285 . 0 0 "[ . 1]" 1
957 2 25 CYS HA 2 51 ILE MG 4.500 . 5.250 5.102 4.920 5.299 0.049 8 0 "[ . 1]" 1
958 2 60 ALA HA 2 63 VAL MG2 4.500 . 5.250 4.464 2.804 5.422 0.172 9 0 "[ . 1]" 1
959 2 16 GLN HA 2 21 ILE MD 4.500 . 5.250 4.776 4.114 5.222 . 0 0 "[ . 1]" 1
960 2 26 SER HA 2 31 VAL MG1 3.500 . 4.200 3.502 2.147 4.168 . 0 0 "[ . 1]" 1
961 2 26 SER HA 2 31 VAL MG2 4.500 . 5.250 2.984 1.974 5.251 0.001 5 0 "[ . 1]" 1
962 2 34 LEU HA 2 34 LEU MD1 3.300 . 3.800 2.563 2.034 3.748 . 0 0 "[ . 1]" 1
963 2 34 LEU HA 2 34 LEU MD2 3.500 . 4.200 3.302 2.166 3.829 . 0 0 "[ . 1]" 1
964 2 34 LEU MD1 2 35 LYS HA 4.500 . 5.250 4.303 3.752 5.243 . 0 0 "[ . 1]" 1
965 2 34 LEU MD2 2 35 LYS HA 4.500 . 5.250 4.454 3.169 5.104 . 0 0 "[ . 1]" 1
966 2 34 LEU HA 2 51 ILE QG 4.500 . 5.250 3.161 2.917 3.281 . 0 0 "[ . 1]" 1
967 2 35 LYS HA 2 35 LYS QD 3.500 . 4.200 3.404 2.200 3.946 . 0 0 "[ . 1]" 1
968 2 56 LEU HA 2 56 LEU MD1 3.500 . 4.200 2.970 2.129 3.676 . 0 0 "[ . 1]" 1
969 2 56 LEU HA 2 56 LEU MD2 3.500 . 4.200 2.658 2.005 3.353 . 0 0 "[ . 1]" 1
970 2 51 ILE HA 2 51 ILE MD 3.500 . 4.200 3.429 3.207 3.609 . 0 0 "[ . 1]" 1
971 2 60 ALA HA 2 63 VAL MG1 4.500 . 5.250 4.317 2.871 4.988 . 0 0 "[ . 1]" 1
972 2 6 VAL MG2 2 79 GLY HA3 5.500 . 6.500 4.203 2.697 5.105 . 0 0 "[ . 1]" 1
973 2 76 LEU HA 2 76 LEU MD1 4.500 . 5.250 3.709 3.341 4.169 . 0 0 "[ . 1]" 1
974 2 36 MET HA 2 49 ALA MB 3.500 . 4.200 2.144 2.008 2.222 . 0 0 "[ . 1]" 1
975 2 51 ILE HA 2 51 ILE QG 3.300 . 3.800 2.467 2.388 2.575 . 0 0 "[ . 1]" 1
976 2 28 VAL HA 2 28 VAL MG1 3.500 . 4.200 2.894 2.253 3.196 . 0 0 "[ . 1]" 1
977 2 32 ILE MG 2 54 ARG HA 3.500 . 4.200 4.073 3.960 4.158 . 0 0 "[ . 1]" 1
978 2 6 VAL MG2 2 81 SER HB2 5.500 . 6.500 4.357 3.291 5.281 . 0 0 "[ . 1]" 1
979 2 32 ILE MD 2 54 ARG HA 2.800 . 3.100 2.438 2.068 3.127 0.027 9 0 "[ . 1]" 1
980 2 77 LYS HA 2 77 LYS QD 3.300 . 3.800 3.043 2.143 3.989 0.189 9 0 "[ . 1]" 1
981 2 77 LYS HA 2 77 LYS QG 2.800 . 3.100 2.374 2.173 2.975 . 0 0 "[ . 1]" 1
982 2 24 LEU HA 2 24 LEU MD1 3.500 . 4.200 2.901 2.226 3.190 . 0 0 "[ . 1]" 1
983 2 28 VAL HA 2 28 VAL MG2 3.500 . 4.200 2.248 2.092 2.467 . 0 0 "[ . 1]" 1
984 2 3 PRO HD3 2 56 LEU MD2 5.500 . 6.500 4.966 4.072 6.244 . 0 0 "[ . 1]" 1
985 2 21 ILE HA 2 21 ILE MG 2.800 . 3.100 2.329 2.224 2.566 . 0 0 "[ . 1]" 1
986 2 21 ILE HA 2 21 ILE MD 3.300 . 3.800 2.166 2.002 2.626 . 0 0 "[ . 1]" 1
987 2 6 VAL MG1 2 81 SER HB2 5.500 . 6.500 3.886 2.736 4.955 . 0 0 "[ . 1]" 1
988 2 24 LEU HA 2 24 LEU HG 3.300 . 3.800 3.455 2.312 3.701 . 0 0 "[ . 1]" 1
989 2 16 GLN HA 2 17 THR MG 3.500 . 4.200 3.804 3.633 4.008 . 0 0 "[ . 1]" 1
990 2 71 LEU HA 2 71 LEU HG 3.300 . 3.800 2.676 2.247 3.081 . 0 0 "[ . 1]" 1
991 2 56 LEU HA 2 56 LEU HG 3.500 . 4.200 2.921 2.185 3.701 . 0 0 "[ . 1]" 1
992 2 56 LEU HA 2 60 ALA MB 3.500 . 4.200 3.682 3.578 3.826 . 0 0 "[ . 1]" 1
993 2 76 LEU HA 2 76 LEU HG 3.300 . 3.800 3.096 2.237 3.597 . 0 0 "[ . 1]" 1
994 2 44 ARG HA 2 44 ARG QG 2.800 . 3.100 2.467 2.251 2.939 . 0 0 "[ . 1]" 1
995 2 41 GLN HA 2 41 GLN HG2 3.500 . 4.200 2.792 2.408 2.994 . 0 0 "[ . 1]" 1
996 2 41 GLN HA 2 41 GLN HG3 3.500 . 4.200 2.627 2.462 3.069 . 0 0 "[ . 1]" 1
997 2 24 LEU HA 2 27 ASN HB2 4.500 . 5.250 3.957 3.448 5.230 . 0 0 "[ . 1]" 1
998 2 53 PHE HB3 2 59 SER HA 4.500 . 5.250 3.322 3.151 3.538 . 0 0 "[ . 1]" 1
999 2 77 LYS HA 2 77 LYS QE 3.500 . 4.200 3.881 2.244 4.334 0.134 7 0 "[ . 1]" 1
1000 2 44 ARG HA 2 44 ARG QD 3.500 . 4.200 3.680 2.191 4.303 0.103 7 0 "[ . 1]" 1
1001 2 53 PHE HB3 2 58 SER HB3 5.500 . 6.500 3.300 2.342 4.024 . 0 0 "[ . 1]" 1
1002 2 24 LEU HA 2 27 ASN HB3 4.500 . 5.250 4.810 3.158 5.231 . 0 0 "[ . 1]" 1
1003 2 22 LEU HG 2 23 ASP HA 5.500 . 6.500 4.300 3.834 5.938 . 0 0 "[ . 1]" 1
1004 2 16 GLN HA 2 20 GLN HB2 3.500 . 4.200 2.476 2.086 3.209 . 0 0 "[ . 1]" 1
1005 2 67 ASN HA 2 76 LEU QB 3.500 . 4.200 3.861 3.448 4.374 0.174 9 0 "[ . 1]" 1
1006 2 5 ARG HA 2 5 ARG HG2 3.300 . 3.800 2.840 2.166 3.590 . 0 0 "[ . 1]" 1
1007 2 5 ARG HA 2 5 ARG HG3 3.300 . 3.800 2.557 2.271 3.526 . 0 0 "[ . 1]" 1
1008 2 32 ILE HA 2 53 PHE HA 5.500 . 6.500 5.082 4.707 5.361 . 0 0 "[ . 1]" 1
1009 2 64 ARG HA 2 65 ASN HA 4.500 . 5.250 4.710 4.648 4.756 . 0 0 "[ . 1]" 1
1010 2 26 SER HA 2 30 PRO HA 4.500 . 5.250 4.714 4.201 5.168 . 0 0 "[ . 1]" 1
1011 2 55 ASP HA 2 56 LEU HA 4.500 . 5.250 4.365 4.355 4.385 . 0 0 "[ . 1]" 1
1012 2 34 LEU HA 2 51 ILE HA 3.500 . 4.200 2.333 2.275 2.402 . 0 0 "[ . 1]" 1
1013 2 36 MET HA 2 49 ALA HA 5.500 . 6.500 2.469 2.233 2.863 . 0 0 "[ . 1]" 1
1014 2 5 ARG HA 2 52 GLU HA 5.500 . 6.500 5.702 5.238 5.994 . 0 0 "[ . 1]" 1
1015 2 53 PHE HA 2 59 SER HA 5.500 . 6.500 5.553 5.416 5.716 . 0 0 "[ . 1]" 1
1016 2 53 PHE HA 2 54 ARG HA 3.500 . 4.200 4.324 4.307 4.345 0.145 6 0 "[ . 1]" 1
1017 2 38 PHE HA 2 46 LYS HA 4.500 . 5.250 3.368 2.241 4.865 . 0 0 "[ . 1]" 1
1018 2 79 GLY HA3 2 80 TYR HA 4.500 . 5.250 4.418 4.375 4.486 . 0 0 "[ . 1]" 1
1019 2 79 GLY HA2 2 80 TYR HA 4.500 . 5.250 4.552 4.499 4.614 . 0 0 "[ . 1]" 1
1020 2 42 THR HA 2 42 THR HB 2.800 . 3.100 2.397 2.308 2.493 . 0 0 "[ . 1]" 1
1021 2 51 ILE HA 2 53 PHE QE 5.500 . 6.500 6.139 5.723 6.328 . 0 0 "[ . 1]" 1
1022 2 74 ARG HA 2 75 PHE QE 5.500 . 6.500 4.346 4.037 4.540 . 0 0 "[ . 1]" 1
1023 2 74 ARG HA 2 75 PHE QD 5.500 . 6.500 3.968 3.424 4.169 . 0 0 "[ . 1]" 1
1024 2 30 PRO HA 2 53 PHE QD 5.500 . 6.500 5.714 5.157 6.549 0.049 5 0 "[ . 1]" 1
1025 2 66 LEU HA 2 69 TYR QD 5.500 . 6.500 4.005 2.680 5.059 . 0 0 "[ . 1]" 1
1026 2 41 GLN HE21 2 42 THR HA 5.500 . 6.500 4.846 4.067 5.752 . 0 0 "[ . 1]" 1
1027 2 41 GLN HA 2 41 GLN HE21 5.500 . 6.500 4.797 4.274 5.063 . 0 0 "[ . 1]" 1
1028 2 38 PHE QD 2 46 LYS HA 5.500 . 6.500 4.298 3.103 5.519 . 0 0 "[ . 1]" 1
1029 2 69 TYR HA 2 69 TYR QE 5.500 . 6.500 5.417 5.292 5.641 . 0 0 "[ . 1]" 1
1030 2 24 LEU HA 2 69 TYR QE 5.500 . 6.500 5.626 4.844 6.380 . 0 0 "[ . 1]" 1
1031 2 25 CYS HA 2 53 PHE HZ 3.500 . 4.200 3.650 2.949 4.235 0.035 7 0 "[ . 1]" 1
1032 2 38 PHE QD 2 40 PRO HD2 5.500 . 6.500 5.625 5.059 6.149 . 0 0 "[ . 1]" 1
1033 2 69 TYR HA 2 69 TYR QD 3.300 . 3.800 3.361 3.241 3.556 . 0 0 "[ . 1]" 1
1034 2 53 PHE QD 2 59 SER HA 3.500 . 4.200 3.598 3.291 3.779 . 0 0 "[ . 1]" 1
1035 2 26 SER HB3 2 27 ASN H 3.500 . 4.200 3.630 3.082 4.218 0.018 10 0 "[ . 1]" 1
1036 2 53 PHE QE 2 59 SER HA 4.500 . 5.250 4.764 4.447 4.929 . 0 0 "[ . 1]" 1
1037 2 38 PHE QE 2 40 PRO HD3 5.500 . 6.500 6.166 5.481 6.665 0.165 5 0 "[ . 1]" 1
1038 2 53 PHE QD 2 58 SER HB3 4.500 . 5.250 2.579 2.255 3.706 . 0 0 "[ . 1]" 1
1039 2 70 GLN HA 2 75 PHE QD 3.500 . 4.200 2.859 2.519 3.429 . 0 0 "[ . 1]" 1
1040 2 46 LYS HA 2 48 TYR H 5.500 . 6.500 4.961 4.101 5.921 . 0 0 "[ . 1]" 1
1041 2 69 TYR QD 2 76 LEU MD1 4.500 . 5.250 2.281 2.010 3.134 . 0 0 "[ . 1]" 1
1042 2 69 TYR QE 2 76 LEU MD1 5.500 . 6.500 3.443 2.150 4.343 . 0 0 "[ . 1]" 1
1043 2 24 LEU MD2 2 69 TYR QD 3.500 . 4.200 4.074 3.605 4.276 0.076 4 0 "[ . 1]" 1
1044 2 69 TYR QE 2 76 LEU MD2 5.500 . 6.500 3.261 2.193 4.299 . 0 0 "[ . 1]" 1
1045 2 69 TYR QE 2 71 LEU MD1 3.500 . 4.200 2.630 2.095 3.448 . 0 0 "[ . 1]" 1
1046 2 69 TYR QD 2 71 LEU MD1 4.500 . 5.250 4.018 3.321 4.792 . 0 0 "[ . 1]" 1
1047 2 69 TYR QD 2 71 LEU HB3 3.500 . 4.200 3.939 2.572 4.239 0.039 3 0 "[ . 1]" 1
1048 2 70 GLN HB3 2 75 PHE QE 4.500 . 5.250 4.826 4.451 5.221 . 0 0 "[ . 1]" 1
1049 2 70 GLN HB3 2 70 GLN HE21 3.500 . 4.200 3.425 3.210 4.058 . 0 0 "[ . 1]" 1
1050 2 69 TYR QE 2 71 LEU HG 4.500 . 5.250 4.661 4.329 5.037 . 0 0 "[ . 1]" 1
1051 2 26 SER HA 2 51 ILE MG 5.500 . 6.500 5.031 4.535 6.293 . 0 0 "[ . 1]" 1
1052 2 32 ILE MG 2 33 ASN HA 3.500 . 4.200 3.721 3.405 3.937 . 0 0 "[ . 1]" 1
1053 2 6 VAL HA 2 51 ILE MG 5.500 . 6.500 5.090 4.909 5.254 . 0 0 "[ . 1]" 1
1054 2 50 PHE HA 2 51 ILE MG 5.500 . 6.500 5.416 5.316 5.499 . 0 0 "[ . 1]" 1
1055 2 1 ASN HA 2 2 PRO QD 2.800 . 3.100 2.166 2.074 2.312 . 0 0 "[ . 1]" 1
1056 2 1 ASN QB 2 1 ASN QD 2.800 . 3.100 2.384 2.195 2.676 . 0 0 "[ . 1]" 1
1057 2 1 ASN QD 2 81 SER HA 4.500 . 5.250 3.805 2.271 5.006 . 0 0 "[ . 1]" 1
1058 2 1 ASN QD 2 82 SER HA 4.500 . 5.250 4.743 2.261 5.297 0.047 9 0 "[ . 1]" 1
1059 2 1 ASN QD 2 82 SER QB 3.500 . 4.200 3.696 3.011 4.231 0.031 9 0 "[ . 1]" 1
1060 2 2 PRO HA 2 3 PRO QD 2.800 . 3.100 2.134 2.063 2.248 . 0 0 "[ . 1]" 1
1061 2 2 PRO HA 2 56 LEU QD 4.500 . 5.250 3.965 3.303 4.526 . 0 0 "[ . 1]" 1
1062 2 2 PRO HB2 2 3 PRO QD 3.300 . 3.800 2.636 2.226 3.151 . 0 0 "[ . 1]" 1
1063 2 3 PRO QG 2 4 SER H 4.500 . 5.250 3.589 3.223 4.050 . 0 0 "[ . 1]" 1
1064 2 3 PRO QD 2 4 SER H 4.500 . 5.250 2.976 2.504 3.225 . 0 0 "[ . 1]" 1
1065 2 3 PRO QD 2 56 LEU QD 2.800 . 3.100 2.899 2.517 3.168 0.068 2 0 "[ . 1]" 1
1066 2 3 PRO HD2 2 56 LEU MD2 5.500 . 6.500 3.638 2.567 5.293 . 0 0 "[ . 1]" 1
1067 2 4 SER H 2 4 SER QB 3.300 . 3.800 3.146 2.769 3.355 . 0 0 "[ . 1]" 1
1068 2 4 SER H 2 56 LEU QD 3.300 . 3.800 3.062 2.729 3.380 . 0 0 "[ . 1]" 1
1069 2 4 SER QB 2 6 VAL H 4.500 . 5.250 5.068 4.742 5.271 0.021 8 0 "[ . 1]" 1
1070 2 4 SER QB 2 63 VAL QG 3.500 . 4.200 2.512 2.029 2.961 . 0 0 "[ . 1]" 1
1071 2 5 ARG H 2 5 ARG QB 3.300 . 3.800 2.974 2.846 3.005 . 0 0 "[ . 1]" 1
1072 2 5 ARG H 2 6 VAL QG 4.500 . 5.250 3.853 3.515 4.129 . 0 0 "[ . 1]" 1
1073 2 5 ARG H 2 56 LEU QD 4.500 . 5.250 4.730 4.149 5.270 0.020 10 0 "[ . 1]" 1
1074 2 5 ARG HA 2 5 ARG QG 2.800 . 3.100 2.252 2.102 2.416 . 0 0 "[ . 1]" 1
1075 2 5 ARG HA 2 6 VAL QG 5.500 . 6.500 4.243 3.843 4.712 . 0 0 "[ . 1]" 1
1076 2 5 ARG QB 2 6 VAL H 3.500 . 4.200 2.548 2.253 2.789 . 0 0 "[ . 1]" 1
1077 2 5 ARG QB 2 53 PHE H 4.500 . 5.250 5.000 4.840 5.158 . 0 0 "[ . 1]" 1
1078 2 5 ARG QB 2 55 ASP HA 4.500 . 5.250 4.438 3.887 4.880 . 0 0 "[ . 1]" 1
1079 2 5 ARG QG 2 55 ASP H 4.500 . 5.250 4.605 4.278 4.951 . 0 0 "[ . 1]" 1
1080 2 5 ARG QG 2 55 ASP HA 3.500 . 4.200 2.592 2.198 3.074 . 0 0 "[ . 1]" 1
1081 2 5 ARG QG 2 55 ASP QB 4.500 . 5.250 4.311 3.753 4.934 . 0 0 "[ . 1]" 1
1082 2 6 VAL H 2 6 VAL QG 3.500 . 4.200 2.286 1.971 2.746 . 0 0 "[ . 1]" 1
1083 2 6 VAL H 2 63 VAL QG 4.500 . 5.250 4.107 3.267 4.862 . 0 0 "[ . 1]" 1
1084 2 6 VAL H 2 79 GLY QA 3.500 . 4.200 4.037 3.375 4.372 0.172 10 0 "[ . 1]" 1
1085 2 6 VAL HA 2 7 VAL QG 3.500 . 4.200 3.264 3.017 3.748 . 0 0 "[ . 1]" 1
1086 2 6 VAL QG 2 7 VAL H 3.500 . 4.200 2.061 1.767 2.875 0.033 2 0 "[ . 1]" 1
1087 2 6 VAL QG 2 8 TYR QE 3.500 . 4.200 2.163 1.811 3.167 . 0 0 "[ . 1]" 1
1088 2 6 VAL QG 2 50 PHE HA 4.500 . 5.250 3.735 3.108 4.788 . 0 0 "[ . 1]" 1
1089 2 6 VAL QG 2 50 PHE HB3 4.500 . 5.250 2.997 2.230 4.259 . 0 0 "[ . 1]" 1
1090 2 6 VAL QG 2 50 PHE QD 3.500 . 4.200 3.815 3.435 4.380 0.180 8 0 "[ . 1]" 1
1091 2 6 VAL QG 2 50 PHE QE 4.500 . 5.250 4.909 4.553 5.322 0.072 9 0 "[ . 1]" 1
1092 2 6 VAL QG 2 51 ILE H 3.500 . 4.200 3.008 2.279 4.264 0.064 8 0 "[ . 1]" 1
1093 2 6 VAL QG 2 52 GLU H 4.500 . 5.250 3.507 3.089 4.189 . 0 0 "[ . 1]" 1
1094 2 6 VAL QG 2 52 GLU HA 3.300 . 3.800 2.310 1.984 2.807 . 0 0 "[ . 1]" 1
1095 2 6 VAL QG 2 52 GLU HB2 3.300 . 3.800 3.176 2.238 3.956 0.156 10 0 "[ . 1]" 1
1096 2 6 VAL QG 2 53 PHE H 3.500 . 4.200 3.613 3.011 4.180 . 0 0 "[ . 1]" 1
1097 2 6 VAL QG 2 53 PHE QD 4.500 . 5.250 4.600 4.346 4.883 . 0 0 "[ . 1]" 1
1098 2 6 VAL QG 2 79 GLY QA 3.300 . 3.800 3.205 2.076 4.064 0.264 4 0 "[ . 1]" 1
1099 2 6 VAL QG 2 81 SER H 3.300 . 3.800 2.532 1.682 3.639 0.118 6 0 "[ . 1]" 1
1100 2 6 VAL QG 2 81 SER HA 3.500 . 4.200 3.886 2.403 4.257 0.057 7 0 "[ . 1]" 1
1101 2 6 VAL QG 2 81 SER QB 2.800 . 3.100 2.647 2.050 3.125 0.025 1 0 "[ . 1]" 1
1102 2 6 VAL MG1 2 81 SER HB3 5.500 . 6.500 3.273 2.223 5.415 . 0 0 "[ . 1]" 1
1103 2 6 VAL MG2 2 81 SER HB3 5.500 . 6.500 3.623 2.146 4.890 . 0 0 "[ . 1]" 1
1104 2 6 VAL QG 2 82 SER HA 5.500 . 6.500 4.524 2.839 5.912 . 0 0 "[ . 1]" 1
1105 2 6 VAL QG 2 82 SER QB 3.500 . 4.200 4.093 3.232 4.501 0.301 6 0 "[ . 1]" 1
1106 2 7 VAL H 2 7 VAL QG 2.800 . 3.100 2.189 1.743 2.524 0.057 10 0 "[ . 1]" 1
1107 2 7 VAL H 2 63 VAL QG 4.500 . 5.250 4.590 4.000 5.116 . 0 0 "[ . 1]" 1
1108 2 7 VAL HA 2 7 VAL QG 2.800 . 3.100 2.236 2.071 2.603 . 0 0 "[ . 1]" 1
1109 2 7 VAL HA 2 63 VAL QG 4.500 . 5.250 3.620 3.055 4.517 . 0 0 "[ . 1]" 1
1110 2 7 VAL HA 2 79 GLY QA 4.500 . 5.250 3.847 2.932 4.612 . 0 0 "[ . 1]" 1
1111 2 7 VAL HB 2 63 VAL QG 4.500 . 5.250 3.817 2.211 4.964 . 0 0 "[ . 1]" 1
1112 2 7 VAL HB 2 79 GLY QA 5.500 . 6.500 6.039 5.395 6.618 0.118 9 0 "[ . 1]" 1
1113 2 7 VAL QG 2 8 TYR H 3.500 . 4.200 2.424 2.244 2.612 . 0 0 "[ . 1]" 1
1114 2 7 VAL QG 2 50 PHE HA 4.500 . 5.250 4.750 4.104 5.271 0.021 6 0 "[ . 1]" 1
1115 2 7 VAL QG 2 51 ILE H 3.500 . 4.200 3.563 2.762 4.108 . 0 0 "[ . 1]" 1
1116 2 7 VAL QG 2 51 ILE HB 2.800 . 3.100 2.455 1.917 3.024 . 0 0 "[ . 1]" 1
1117 2 7 VAL QG 2 51 ILE MD 2.800 . 3.100 2.590 1.946 3.105 0.005 9 0 "[ . 1]" 1
1118 2 7 VAL QG 2 52 GLU H 4.500 . 5.250 4.993 3.988 5.353 0.103 8 0 "[ . 1]" 1
1119 2 7 VAL QG 2 53 PHE H 4.500 . 5.250 4.182 3.720 4.961 . 0 0 "[ . 1]" 1
1120 2 7 VAL QG 2 53 PHE QD 3.500 . 4.200 2.370 2.076 3.309 . 0 0 "[ . 1]" 1
1121 2 7 VAL QG 2 53 PHE QE 3.300 . 3.800 2.194 2.014 2.658 . 0 0 "[ . 1]" 1
1122 2 7 VAL QG 2 53 PHE HZ 4.500 . 5.250 4.145 3.842 4.590 . 0 0 "[ . 1]" 1
1123 2 7 VAL QG 2 63 VAL H 4.500 . 5.250 4.423 3.770 5.242 . 0 0 "[ . 1]" 1
1124 2 7 VAL QG 2 63 VAL QG 2.800 . 3.100 2.507 2.075 3.213 0.113 4 0 "[ . 1]" 1
1125 2 7 VAL QG 2 64 ARG H 5.500 . 6.500 6.030 5.248 6.634 0.134 4 0 "[ . 1]" 1
1126 2 7 VAL QG 2 67 ASN H 5.500 . 6.500 5.377 4.379 6.231 . 0 0 "[ . 1]" 1
1127 2 8 TYR H 2 8 TYR QB 3.300 . 3.800 2.611 2.281 3.197 . 0 0 "[ . 1]" 1
1128 2 8 TYR QB 2 9 LEU H 3.500 . 4.200 3.133 2.661 3.438 . 0 0 "[ . 1]" 1
1129 2 8 TYR QB 2 9 LEU QD 4.500 . 5.250 4.288 3.861 5.076 . 0 0 "[ . 1]" 1
1130 2 8 TYR QD 2 79 GLY QA 4.500 . 5.250 3.376 2.479 4.259 . 0 0 "[ . 1]" 1
1131 2 8 TYR QE 2 79 GLY QA 4.500 . 5.250 2.591 2.218 2.896 . 0 0 "[ . 1]" 1
1132 2 9 LEU H 2 9 LEU QD 3.500 . 4.200 2.871 2.164 3.831 . 0 0 "[ . 1]" 1
1133 2 9 LEU HA 2 9 LEU QD 3.300 . 3.800 2.246 1.935 3.016 . 0 0 "[ . 1]" 1
1134 2 9 LEU QB 2 12 ILE MD 2.800 . 3.100 2.043 1.866 2.205 . 0 0 "[ . 1]" 1
1135 2 9 LEU QB 2 48 TYR QD 4.500 . 5.250 4.940 4.529 5.489 0.239 5 0 "[ . 1]" 1
1136 2 9 LEU QB 2 51 ILE MD 3.500 . 4.200 2.759 2.198 3.863 . 0 0 "[ . 1]" 1
1137 2 9 LEU QD 2 10 GLY H 4.500 . 5.250 3.531 2.643 4.105 . 0 0 "[ . 1]" 1
1138 2 9 LEU QD 2 48 TYR HA 4.500 . 5.250 5.111 4.757 5.373 0.123 6 0 "[ . 1]" 1
1139 2 9 LEU QD 2 48 TYR QE 5.500 . 6.500 6.207 5.771 6.735 0.235 4 0 "[ . 1]" 1
1140 2 9 LEU QD 2 49 ALA H 4.500 . 5.250 4.088 3.682 4.501 . 0 0 "[ . 1]" 1
1141 2 9 LEU QD 2 50 PHE HA 4.500 . 5.250 4.338 3.290 5.247 . 0 0 "[ . 1]" 1
1142 2 9 LEU QD 2 51 ILE MD 3.300 . 3.800 1.918 1.773 2.147 0.027 6 0 "[ . 1]" 1
1143 2 9 LEU QD 2 76 LEU HA 3.500 . 4.200 2.554 1.992 3.459 . 0 0 "[ . 1]" 1
1144 2 9 LEU QD 2 76 LEU QB 3.500 . 4.200 2.301 1.905 3.110 . 0 0 "[ . 1]" 1
1145 2 9 LEU QD 2 77 LYS H 3.500 . 4.200 3.498 2.597 4.232 0.032 5 0 "[ . 1]" 1
1146 2 11 SER QB 2 12 ILE H 3.500 . 4.200 3.716 3.258 4.011 . 0 0 "[ . 1]" 1
1147 2 11 SER QB 2 12 ILE MD 4.500 . 5.250 3.860 3.026 4.416 . 0 0 "[ . 1]" 1
1148 2 12 ILE HA 2 13 PRO QD 2.800 . 3.100 2.050 2.027 2.083 . 0 0 "[ . 1]" 1
1149 2 12 ILE HB 2 47 GLY QA 3.500 . 4.200 3.271 2.820 3.853 . 0 0 "[ . 1]" 1
1150 2 12 ILE HB 2 72 GLY QA 4.500 . 5.250 5.256 4.949 5.500 0.250 7 0 "[ . 1]" 1
1151 2 12 ILE MG 2 13 PRO QG 3.500 . 4.200 3.551 3.015 4.270 0.070 7 0 "[ . 1]" 1
1152 2 12 ILE MG 2 16 GLN QE 3.500 . 4.200 3.379 2.160 4.355 0.155 7 0 "[ . 1]" 1
1153 2 12 ILE MG 2 72 GLY QA 4.500 . 5.250 3.801 3.019 4.514 . 0 0 "[ . 1]" 1
1154 2 12 ILE QG 2 47 GLY QA 4.500 . 5.250 4.989 4.612 5.334 0.084 2 0 "[ . 1]" 1
1155 2 12 ILE QG 2 72 GLY QA 4.500 . 5.250 3.151 2.604 3.954 . 0 0 "[ . 1]" 1
1156 2 12 ILE MD 2 13 PRO QD 4.500 . 5.250 4.487 3.833 4.636 . 0 0 "[ . 1]" 1
1157 2 12 ILE MD 2 72 GLY QA 4.500 . 5.250 4.298 3.641 4.819 . 0 0 "[ . 1]" 1
1158 2 13 PRO QB 2 14 TYR QD 3.500 . 4.200 4.307 4.182 4.389 0.189 7 0 "[ . 1]" 1
1159 2 13 PRO QG 2 15 ASP H 3.500 . 4.200 3.035 2.291 3.779 . 0 0 "[ . 1]" 1
1160 2 13 PRO QG 2 16 GLN H 3.500 . 4.200 3.742 3.374 4.260 0.060 7 0 "[ . 1]" 1
1161 2 13 PRO QD 2 16 GLN QG 3.500 . 4.200 3.480 2.739 4.443 0.243 2 0 "[ . 1]" 1
1162 2 14 TYR QB 2 15 ASP H 3.500 . 4.200 3.451 3.378 3.519 . 0 0 "[ . 1]" 1
1163 2 14 TYR QB 2 38 PHE QE 4.500 . 5.250 5.143 4.550 5.426 0.176 4 0 "[ . 1]" 1
1164 2 14 TYR QE 2 47 GLY QA 3.500 . 4.200 3.638 3.330 3.813 . 0 0 "[ . 1]" 1
1165 2 15 ASP H 2 15 ASP QB 2.800 . 3.100 2.410 2.246 2.526 . 0 0 "[ . 1]" 1
1166 2 16 GLN H 2 16 GLN QE 4.500 . 5.250 3.789 1.866 4.497 . 0 0 "[ . 1]" 1
1167 2 16 GLN HA 2 16 GLN QG 3.300 . 3.800 3.041 2.448 3.350 . 0 0 "[ . 1]" 1
1168 2 16 GLN HA 2 20 GLN QB 3.300 . 3.800 2.378 2.063 2.689 . 0 0 "[ . 1]" 1
1169 2 16 GLN HA 2 20 GLN QG 4.500 . 5.250 2.791 2.236 4.093 . 0 0 "[ . 1]" 1
1170 2 16 GLN HB2 2 16 GLN QE 3.500 . 4.200 2.399 1.730 3.811 0.070 10 0 "[ . 1]" 1
1171 2 16 GLN QE 2 16 GLN QG 2.800 . 3.100 2.629 2.157 2.803 . 0 0 "[ . 1]" 1
1172 2 16 GLN QG 2 71 LEU QD 3.500 . 4.200 3.572 2.351 4.211 0.011 6 0 "[ . 1]" 1
1173 2 16 GLN QE 2 20 GLN QB 3.500 . 4.200 3.305 2.510 4.225 0.025 7 0 "[ . 1]" 1
1174 2 16 GLN QE 2 20 GLN QG 4.500 . 5.250 4.261 2.525 5.315 0.065 7 0 "[ . 1]" 1
1175 2 16 GLN QE 2 20 GLN QE 3.300 . 3.800 2.518 1.958 2.987 . 0 0 "[ . 1]" 1
1176 2 16 GLN QE 2 21 ILE MD 4.500 . 5.250 3.173 1.758 5.395 0.145 2 0 "[ . 1]" 1
1177 2 16 GLN QE 2 71 LEU QD 3.500 . 4.200 2.551 1.783 4.158 0.017 4 0 "[ . 1]" 1
1178 2 16 GLN QE 2 72 GLY QA 4.500 . 5.250 5.304 5.088 5.393 0.143 6 0 "[ . 1]" 1
1179 2 17 THR H 2 20 GLN QG 4.500 . 5.250 3.697 3.094 4.972 . 0 0 "[ . 1]" 1
1180 2 17 THR H 2 20 GLN QE 4.500 . 5.250 4.927 3.696 5.283 0.033 1 0 "[ . 1]" 1
1181 2 17 THR MG 2 20 GLN QE 5.500 . 6.500 6.117 4.969 6.529 0.029 1 0 "[ . 1]" 1
1182 2 18 GLU H 2 18 GLU QG 3.300 . 3.800 2.877 2.259 3.886 0.086 6 0 "[ . 1]" 1
1183 2 18 GLU H 2 34 LEU QD 4.500 . 5.250 4.615 4.388 4.969 . 0 0 "[ . 1]" 1
1184 2 18 GLU H 2 36 MET QB 4.500 . 5.250 3.539 3.238 4.094 . 0 0 "[ . 1]" 1
1185 2 18 GLU HA 2 18 GLU QG 3.300 . 3.800 3.063 2.315 3.446 . 0 0 "[ . 1]" 1
1186 2 18 GLU HA 2 21 ILE QG 3.500 . 4.200 3.550 3.062 4.050 . 0 0 "[ . 1]" 1
1187 2 18 GLU HA 2 34 LEU QD 3.300 . 3.800 2.451 2.203 2.911 . 0 0 "[ . 1]" 1
1188 2 18 GLU HA 2 36 MET QB 4.500 . 5.250 3.477 2.934 4.067 . 0 0 "[ . 1]" 1
1189 2 18 GLU QG 2 19 GLU H 3.300 . 3.800 2.605 1.908 3.828 0.028 6 0 "[ . 1]" 1
1190 2 18 GLU QG 2 19 GLU HA 4.500 . 5.250 3.358 3.051 3.747 . 0 0 "[ . 1]" 1
1191 2 19 GLU H 2 34 LEU QD 4.500 . 5.250 4.753 4.557 5.048 . 0 0 "[ . 1]" 1
1192 2 20 GLN H 2 20 GLN QB 3.300 . 3.600 2.266 2.066 2.459 . 0 0 "[ . 1]" 1
1193 2 20 GLN H 2 21 ILE QG 5.500 . 6.500 4.400 3.982 5.739 . 0 0 "[ . 1]" 1
1194 2 20 GLN H 2 22 LEU QB 5.500 . 6.500 4.747 4.639 4.876 . 0 0 "[ . 1]" 1
1195 2 20 GLN HA 2 20 GLN QG 2.800 . 3.100 2.242 2.174 2.341 . 0 0 "[ . 1]" 1
1196 2 20 GLN HA 2 20 GLN QE 4.500 . 5.250 4.116 3.726 4.883 . 0 0 "[ . 1]" 1
1197 2 20 GLN HA 2 21 ILE QG 5.500 . 6.500 5.374 5.002 6.171 . 0 0 "[ . 1]" 1
1198 2 20 GLN HA 2 23 ASP QB 3.300 . 3.800 3.404 2.028 3.855 0.055 10 0 "[ . 1]" 1
1199 2 20 GLN QB 2 20 GLN QE 3.300 . 3.800 2.202 1.773 3.204 0.027 7 0 "[ . 1]" 1
1200 2 20 GLN QB 2 21 ILE H 2.800 . 3.100 2.560 2.396 2.683 . 0 0 "[ . 1]" 1
1201 2 20 GLN QE 2 20 GLN QG 2.800 . 3.100 2.534 2.181 2.785 . 0 0 "[ . 1]" 1
1202 2 21 ILE H 2 34 LEU QD 3.500 . 4.200 4.205 4.038 4.399 0.199 2 0 "[ . 1]" 1
1203 2 21 ILE HA 2 21 ILE QG 3.300 . 3.800 2.871 2.276 3.155 . 0 0 "[ . 1]" 1
1204 2 21 ILE HA 2 24 LEU QD 4.500 . 5.250 3.842 3.218 4.381 . 0 0 "[ . 1]" 1
1205 2 21 ILE HA 2 25 CYS QB 4.500 . 5.250 4.549 4.201 4.898 . 0 0 "[ . 1]" 1
1206 2 21 ILE HB 2 34 LEU QD 3.300 . 3.800 2.491 2.281 2.814 . 0 0 "[ . 1]" 1
1207 2 21 ILE QG 2 21 ILE MG 2.800 . 3.100 2.248 2.057 2.495 . 0 0 "[ . 1]" 1
1208 2 21 ILE MG 2 25 CYS QB 3.500 . 4.200 3.150 2.630 3.412 . 0 0 "[ . 1]" 1
1209 2 21 ILE MG 2 71 LEU QD 4.500 . 5.250 4.689 3.850 5.004 . 0 0 "[ . 1]" 1
1210 2 21 ILE QG 2 22 LEU H 3.500 . 4.200 3.861 3.679 4.286 0.086 10 0 "[ . 1]" 1
1211 2 21 ILE QG 2 36 MET ME 2.800 . 3.100 2.549 2.303 2.911 . 0 0 "[ . 1]" 1
1212 2 21 ILE MD 2 71 LEU QD 4.500 . 5.250 3.263 2.948 3.764 . 0 0 "[ . 1]" 1
1213 2 22 LEU H 2 23 ASP QB 4.500 . 5.250 5.037 4.441 5.274 0.024 1 0 "[ . 1]" 1
1214 2 22 LEU H 2 34 LEU QD 2.800 . 3.100 2.537 2.281 2.984 . 0 0 "[ . 1]" 1
1215 2 22 LEU QB 2 23 ASP H 3.500 . 4.200 2.985 2.585 3.109 . 0 0 "[ . 1]" 1
1216 2 22 LEU QB 2 23 ASP HA 4.500 . 5.250 4.513 4.006 4.667 . 0 0 "[ . 1]" 1
1217 2 22 LEU QB 2 24 LEU H 4.500 . 5.250 4.939 4.803 5.367 0.117 2 0 "[ . 1]" 1
1218 2 22 LEU QB 2 34 LEU QD 3.500 . 4.200 2.251 1.984 2.560 . 0 0 "[ . 1]" 1
1219 2 23 ASP H 2 23 ASP QB 2.800 . 3.100 2.569 2.261 2.687 . 0 0 "[ . 1]" 1
1220 2 23 ASP H 2 34 LEU QD 4.500 . 5.250 4.465 4.207 4.926 . 0 0 "[ . 1]" 1
1221 2 23 ASP QB 2 24 LEU H 3.300 . 3.800 2.790 1.683 3.119 0.117 5 0 "[ . 1]" 1
1222 2 24 LEU H 2 25 CYS QB 4.500 . 5.250 4.787 4.451 5.255 0.005 8 0 "[ . 1]" 1
1223 2 24 LEU H 2 27 ASN QB 5.500 . 6.500 5.392 5.098 5.798 . 0 0 "[ . 1]" 1
1224 2 24 LEU H 2 71 LEU QD 5.500 . 6.500 5.689 5.446 5.901 . 0 0 "[ . 1]" 1
1225 2 24 LEU HA 2 24 LEU QD 2.800 . 3.100 2.131 1.981 2.878 . 0 0 "[ . 1]" 1
1226 2 24 LEU HA 2 27 ASN QB 3.500 . 4.200 3.624 3.113 4.215 0.015 4 0 "[ . 1]" 1
1227 2 24 LEU HA 2 27 ASN QD 3.300 . 3.800 2.941 1.799 3.685 0.001 5 0 "[ . 1]" 1
1228 2 24 LEU HA 2 71 LEU QD 5.500 . 6.500 5.243 4.707 5.889 . 0 0 "[ . 1]" 1
1229 2 24 LEU HB3 2 71 LEU QD 3.500 . 4.200 3.969 3.665 4.284 0.084 8 0 "[ . 1]" 1
1230 2 24 LEU QD 2 25 CYS H 3.300 . 3.800 3.121 2.867 3.696 . 0 0 "[ . 1]" 1
1231 2 24 LEU QD 2 25 CYS HA 3.500 . 4.200 2.924 2.685 4.001 . 0 0 "[ . 1]" 1
1232 2 24 LEU QD 2 25 CYS QB 4.500 . 5.250 3.820 3.328 4.810 . 0 0 "[ . 1]" 1
1233 2 24 LEU QD 2 26 SER H 5.500 . 6.500 4.948 4.705 5.681 . 0 0 "[ . 1]" 1
1234 2 24 LEU QD 2 27 ASN H 4.500 . 5.250 4.472 4.254 4.971 . 0 0 "[ . 1]" 1
1235 2 24 LEU QD 2 27 ASN QB 4.500 . 5.250 3.671 3.389 4.529 . 0 0 "[ . 1]" 1
1236 2 24 LEU QD 2 27 ASN QD 3.500 . 4.200 3.656 2.014 4.299 0.099 8 0 "[ . 1]" 1
1237 2 24 LEU QD 2 66 LEU H 5.500 . 6.500 6.200 5.141 6.629 0.129 1 0 "[ . 1]" 1
1238 2 24 LEU QD 2 66 LEU QD 3.300 . 3.800 2.520 1.869 3.000 . 0 0 "[ . 1]" 1
1239 2 24 LEU QD 2 69 TYR QD 2.800 . 3.100 3.209 3.073 3.447 0.347 2 0 "[ . 1]" 1
1240 2 24 LEU QD 2 69 TYR QE 2.800 . 3.100 2.068 1.944 2.353 . 0 0 "[ . 1]" 1
1241 2 24 LEU QD 2 71 LEU QD 2.800 . 3.100 2.184 1.713 2.639 0.087 8 0 "[ . 1]" 1
1242 2 24 LEU QD 2 76 LEU QD 3.500 . 4.200 2.454 1.940 3.829 . 0 0 "[ . 1]" 1
1243 2 25 CYS H 2 25 CYS QB 2.800 . 3.100 2.421 2.138 2.891 . 0 0 "[ . 1]" 1
1244 2 25 CYS H 2 26 SER QB 4.500 . 5.250 4.432 4.101 4.994 . 0 0 "[ . 1]" 1
1245 2 25 CYS H 2 31 VAL QG 4.500 . 5.250 4.664 4.392 4.895 . 0 0 "[ . 1]" 1
1246 2 25 CYS H 2 66 LEU QD 5.500 . 6.500 4.290 3.949 4.806 . 0 0 "[ . 1]" 1
1247 2 25 CYS H 2 71 LEU QD 5.500 . 6.500 5.637 5.139 5.858 . 0 0 "[ . 1]" 1
1248 2 25 CYS HA 2 31 VAL QG 4.500 . 5.250 4.747 4.143 5.109 . 0 0 "[ . 1]" 1
1249 2 25 CYS HA 2 66 LEU QD 2.800 . 3.100 2.349 2.100 3.000 . 0 0 "[ . 1]" 1
1250 2 25 CYS HA 2 71 LEU QD 5.500 . 6.500 5.869 5.183 6.745 0.245 2 0 "[ . 1]" 1
1251 2 25 CYS QB 2 26 SER H 3.500 . 4.200 2.242 1.964 2.838 . 0 0 "[ . 1]" 1
1252 2 25 CYS QB 2 26 SER QB 4.500 . 5.250 4.004 3.706 4.453 . 0 0 "[ . 1]" 1
1253 2 25 CYS QB 2 31 VAL QG 3.300 . 3.800 2.842 2.188 3.207 . 0 0 "[ . 1]" 1
1254 2 25 CYS QB 2 53 PHE QD 4.500 . 5.250 4.714 4.434 5.080 . 0 0 "[ . 1]" 1
1255 2 25 CYS QB 2 53 PHE HZ 3.300 . 3.800 2.539 2.277 2.964 . 0 0 "[ . 1]" 1
1256 2 25 CYS QB 2 66 LEU QD 4.500 . 5.250 3.499 2.626 4.143 . 0 0 "[ . 1]" 1
1257 2 26 SER H 2 26 SER QB 2.800 . 3.100 2.321 2.119 2.871 . 0 0 "[ . 1]" 1
1258 2 26 SER H 2 27 ASN QB 4.500 . 5.250 4.868 4.662 5.357 0.107 4 0 "[ . 1]" 1
1259 2 26 SER H 2 31 VAL QG 3.300 . 3.800 2.805 2.449 3.353 . 0 0 "[ . 1]" 1
1260 2 26 SER H 2 66 LEU QD 5.500 . 6.500 4.621 4.229 5.215 . 0 0 "[ . 1]" 1
1261 2 26 SER HA 2 28 VAL QG 5.500 . 6.500 4.012 3.018 5.246 . 0 0 "[ . 1]" 1
1262 2 26 SER HA 2 31 VAL QG 2.800 . 3.100 2.235 1.970 3.111 0.011 5 0 "[ . 1]" 1
1263 2 26 SER QB 2 31 VAL QG 3.500 . 4.200 2.351 1.932 3.728 . 0 0 "[ . 1]" 1
1264 2 27 ASN H 2 27 ASN QB 2.800 . 3.100 2.246 2.026 2.731 . 0 0 "[ . 1]" 1
1265 2 27 ASN H 2 27 ASN QD 3.500 . 4.200 2.770 2.387 3.320 . 0 0 "[ . 1]" 1
1266 2 27 ASN H 2 31 VAL QG 5.500 . 6.500 4.626 4.362 5.267 . 0 0 "[ . 1]" 1
1267 2 27 ASN HA 2 27 ASN QD 3.500 . 4.200 2.840 1.791 4.340 0.140 4 0 "[ . 1]" 1
1268 2 27 ASN QB 2 27 ASN QD 2.800 . 3.100 2.489 2.196 2.799 . 0 0 "[ . 1]" 1
1269 2 27 ASN QB 2 28 VAL H 3.300 . 3.800 3.640 2.862 3.897 0.097 9 0 "[ . 1]" 1
1270 2 27 ASN QB 2 28 VAL QG 3.500 . 4.200 3.706 3.218 4.248 0.048 4 0 "[ . 1]" 1
1271 2 27 ASN QB 2 29 GLY H 4.500 . 5.250 5.227 5.066 5.408 0.158 5 0 "[ . 1]" 1
1272 2 27 ASN QD 2 28 VAL H 4.500 . 5.250 4.152 2.469 5.183 . 0 0 "[ . 1]" 1
1273 2 27 ASN QD 2 28 VAL QG 4.500 . 5.250 4.785 2.328 5.400 0.150 10 0 "[ . 1]" 1
1274 2 28 VAL H 2 28 VAL QG 2.800 . 3.100 2.831 2.445 3.359 0.259 9 0 "[ . 1]" 1
1275 2 28 VAL H 2 31 VAL QG 4.500 . 5.250 5.100 4.645 5.350 0.100 4 0 "[ . 1]" 1
1276 2 28 VAL HA 2 28 VAL QG 2.800 . 3.100 2.162 2.008 2.389 . 0 0 "[ . 1]" 1
1277 2 28 VAL QG 2 29 GLY H 3.300 . 3.800 2.459 2.033 3.052 . 0 0 "[ . 1]" 1
1278 2 28 VAL QG 2 53 PHE QD 4.500 . 5.250 3.919 3.308 4.252 . 0 0 "[ . 1]" 1
1279 2 28 VAL QG 2 53 PHE QE 3.500 . 4.200 2.747 2.206 3.243 . 0 0 "[ . 1]" 1
1280 2 28 VAL QG 2 53 PHE HZ 4.500 . 5.250 3.316 2.694 4.267 . 0 0 "[ . 1]" 1
1281 2 28 VAL QG 2 58 SER QB 4.500 . 5.250 3.622 3.054 4.714 . 0 0 "[ . 1]" 1
1282 2 28 VAL QG 2 61 SER QB 3.300 . 3.800 2.682 2.189 3.508 . 0 0 "[ . 1]" 1
1283 2 28 VAL QG 2 62 ALA H 3.300 . 3.800 3.030 2.551 3.576 . 0 0 "[ . 1]" 1
1284 2 28 VAL QG 2 62 ALA HA 2.800 . 3.100 2.129 2.036 2.256 . 0 0 "[ . 1]" 1
1285 2 28 VAL QG 2 62 ALA MB 2.800 . 3.100 1.885 1.748 2.098 0.052 5 0 "[ . 1]" 1
1286 2 28 VAL QG 2 64 ARG H 5.500 . 6.500 5.217 4.930 5.496 . 0 0 "[ . 1]" 1
1287 2 28 VAL QG 2 65 ASN H 4.500 . 5.250 4.352 3.855 4.733 . 0 0 "[ . 1]" 1
1288 2 28 VAL QG 2 65 ASN HA 5.500 . 6.500 5.398 4.593 6.006 . 0 0 "[ . 1]" 1
1289 2 28 VAL QG 2 65 ASN HB2 3.500 . 4.200 3.140 2.253 3.743 . 0 0 "[ . 1]" 1
1290 2 28 VAL QG 2 65 ASN QD 3.300 . 3.800 3.082 1.890 3.778 . 0 0 "[ . 1]" 1
1291 2 28 VAL QG 2 66 LEU H 3.500 . 4.200 4.023 3.166 4.282 0.082 5 0 "[ . 1]" 1
1292 2 29 GLY H 2 31 VAL QG 3.500 . 4.200 4.092 3.472 4.351 0.151 9 0 "[ . 1]" 1
1293 2 29 GLY H 2 58 SER QB 4.500 . 5.250 5.172 4.795 5.376 0.126 4 0 "[ . 1]" 1
1294 2 30 PRO HA 2 31 VAL QG 3.500 . 4.200 3.454 3.203 4.253 0.053 4 0 "[ . 1]" 1
1295 2 30 PRO QB 2 31 VAL H 3.500 . 4.200 3.461 2.727 3.896 . 0 0 "[ . 1]" 1
1296 2 31 VAL H 2 31 VAL QG 2.800 . 3.100 2.136 1.709 2.974 0.091 9 0 "[ . 1]" 1
1297 2 31 VAL HA 2 32 ILE QG 3.500 . 4.200 3.609 3.399 3.930 . 0 0 "[ . 1]" 1
1298 2 31 VAL HB 2 32 ILE QG 5.500 . 6.500 5.153 4.702 5.690 . 0 0 "[ . 1]" 1
1299 2 31 VAL QG 2 32 ILE H 2.800 . 3.100 2.164 1.655 2.813 0.145 4 0 "[ . 1]" 1
1300 2 31 VAL QG 2 32 ILE HA 4.500 . 5.250 3.863 3.149 4.577 . 0 0 "[ . 1]" 1
1301 2 31 VAL QG 2 32 ILE HB 3.500 . 4.200 3.993 3.678 4.265 0.065 3 0 "[ . 1]" 1
1302 2 31 VAL QG 2 33 ASN H 2.800 . 3.100 2.963 2.478 3.251 0.151 7 0 "[ . 1]" 1
1303 2 31 VAL QG 2 33 ASN HA 4.500 . 5.250 4.265 3.599 4.814 . 0 0 "[ . 1]" 1
1304 2 31 VAL QG 2 33 ASN HB2 4.500 . 5.250 4.803 4.633 5.213 . 0 0 "[ . 1]" 1
1305 2 31 VAL QG 2 34 LEU H 4.500 . 5.250 4.546 3.668 5.117 . 0 0 "[ . 1]" 1
1306 2 31 VAL QG 2 34 LEU HA 5.500 . 6.500 4.074 3.678 4.496 . 0 0 "[ . 1]" 1
1307 2 31 VAL QG 2 34 LEU HB2 3.300 . 3.800 3.078 2.216 3.747 . 0 0 "[ . 1]" 1
1308 2 31 VAL QG 2 34 LEU HB3 4.500 . 5.250 4.334 3.383 5.152 . 0 0 "[ . 1]" 1
1309 2 31 VAL QG 2 34 LEU QD 4.500 . 5.250 3.292 2.782 3.792 . 0 0 "[ . 1]" 1
1310 2 31 VAL QG 2 51 ILE HA 4.500 . 5.250 3.803 3.478 4.303 . 0 0 "[ . 1]" 1
1311 2 31 VAL QG 2 52 GLU H 3.500 . 4.200 3.714 2.708 4.173 . 0 0 "[ . 1]" 1
1312 2 31 VAL QG 2 53 PHE QD 3.300 . 3.800 3.222 2.907 3.774 . 0 0 "[ . 1]" 1
1313 2 31 VAL QG 2 53 PHE HZ 3.500 . 4.200 3.049 2.719 3.428 . 0 0 "[ . 1]" 1
1314 2 31 VAL QG 2 54 ARG H 4.500 . 5.250 4.505 3.983 5.179 . 0 0 "[ . 1]" 1
1315 2 31 VAL QG 2 62 ALA MB 4.500 . 5.250 4.377 3.968 4.804 . 0 0 "[ . 1]" 1
1316 2 32 ILE QG 2 32 ILE MG 2.800 . 3.100 2.256 2.145 2.583 . 0 0 "[ . 1]" 1
1317 2 32 ILE QG 2 33 ASN H 3.500 . 4.200 3.904 3.659 4.147 . 0 0 "[ . 1]" 1
1318 2 32 ILE QG 2 53 PHE H 5.500 . 6.500 4.642 4.220 5.302 . 0 0 "[ . 1]" 1
1319 2 32 ILE QG 2 53 PHE HA 3.500 . 4.200 3.018 2.677 3.312 . 0 0 "[ . 1]" 1
1320 2 32 ILE QG 2 53 PHE HB3 4.500 . 5.250 4.457 4.191 4.725 . 0 0 "[ . 1]" 1
1321 2 32 ILE QG 2 54 ARG H 3.500 . 4.200 2.833 2.667 2.973 . 0 0 "[ . 1]" 1
1322 2 32 ILE QG 2 54 ARG HA 3.300 . 3.800 2.030 1.950 2.237 . 0 0 "[ . 1]" 1
1323 2 32 ILE QG 2 54 ARG QB 4.500 . 5.250 3.349 3.159 3.705 . 0 0 "[ . 1]" 1
1324 2 32 ILE MD 2 54 ARG QB 3.500 . 4.200 3.364 2.984 3.690 . 0 0 "[ . 1]" 1
1325 2 33 ASN HA 2 33 ASN QD 3.500 . 4.200 4.048 3.968 4.125 . 0 0 "[ . 1]" 1
1326 2 33 ASN HB3 2 33 ASN QD 3.300 . 3.800 2.996 2.776 3.137 . 0 0 "[ . 1]" 1
1327 2 33 ASN QD 2 52 GLU HB2 3.500 . 4.200 2.738 1.824 3.482 . 0 0 "[ . 1]" 1
1328 2 33 ASN QD 2 52 GLU HB3 3.500 . 4.200 2.767 1.840 3.869 . 0 0 "[ . 1]" 1
1329 2 34 LEU H 2 34 LEU QD 3.500 . 4.200 3.934 3.902 3.979 . 0 0 "[ . 1]" 1
1330 2 34 LEU HA 2 34 LEU QD 2.800 . 3.100 2.082 2.026 2.178 . 0 0 "[ . 1]" 1
1331 2 34 LEU QD 2 35 LYS H 3.500 . 4.200 1.874 1.782 2.079 0.018 3 0 "[ . 1]" 1
1332 2 34 LEU QD 2 35 LYS HA 3.300 . 3.800 3.609 3.141 3.900 0.100 4 0 "[ . 1]" 1
1333 2 34 LEU QD 2 35 LYS QB 4.500 . 5.250 4.006 3.773 4.241 . 0 0 "[ . 1]" 1
1334 2 34 LEU QD 2 36 MET H 3.500 . 4.200 4.146 3.574 4.371 0.171 2 0 "[ . 1]" 1
1335 2 34 LEU QD 2 36 MET QB 4.500 . 5.250 3.530 3.203 3.946 . 0 0 "[ . 1]" 1
1336 2 34 LEU QD 2 49 ALA MB 3.500 . 4.200 2.799 2.396 3.097 . 0 0 "[ . 1]" 1
1337 2 34 LEU QD 2 50 PHE H 4.500 . 5.250 3.747 3.351 4.026 . 0 0 "[ . 1]" 1
1338 2 34 LEU QD 2 50 PHE HA 5.500 . 6.500 4.753 4.604 4.879 . 0 0 "[ . 1]" 1
1339 2 34 LEU QD 2 51 ILE H 3.500 . 4.200 4.345 4.293 4.388 0.188 6 0 "[ . 1]" 1
1340 2 34 LEU QD 2 51 ILE HA 2.800 . 3.100 2.949 2.782 3.130 0.030 1 0 "[ . 1]" 1
1341 2 34 LEU QD 2 51 ILE HB 4.500 . 5.250 4.144 3.920 4.452 . 0 0 "[ . 1]" 1
1342 2 34 LEU QD 2 51 ILE MG 3.500 . 4.200 2.506 2.115 2.975 . 0 0 "[ . 1]" 1
1343 2 34 LEU QD 2 51 ILE QG 3.300 . 3.800 1.974 1.844 2.129 . 0 0 "[ . 1]" 1
1344 2 34 LEU QD 2 52 GLU H 4.500 . 5.250 4.633 4.369 4.836 . 0 0 "[ . 1]" 1
1345 2 35 LYS HA 2 36 MET QB 3.500 . 4.200 4.057 3.965 4.122 . 0 0 "[ . 1]" 1
1346 2 35 LYS QG 2 36 MET H 3.500 . 4.200 3.533 2.372 4.124 . 0 0 "[ . 1]" 1
1347 2 36 MET H 2 36 MET QB 2.800 . 3.100 2.493 2.291 2.633 . 0 0 "[ . 1]" 1
1348 2 36 MET H 2 36 MET QG 4.500 . 5.250 4.120 3.820 4.223 . 0 0 "[ . 1]" 1
1349 2 36 MET QB 2 37 MET H 3.500 . 4.200 3.631 3.464 3.742 . 0 0 "[ . 1]" 1
1350 2 36 MET QB 2 37 MET HA 4.500 . 5.250 4.303 4.178 4.575 . 0 0 "[ . 1]" 1
1351 2 36 MET QB 2 38 PHE QE 4.500 . 5.250 4.689 4.283 5.311 0.061 7 0 "[ . 1]" 1
1352 2 36 MET QB 2 49 ALA MB 3.500 . 4.200 3.015 2.439 3.497 . 0 0 "[ . 1]" 1
1353 2 36 MET QG 2 37 MET H 3.500 . 4.200 2.457 1.981 2.971 . 0 0 "[ . 1]" 1
1354 2 36 MET QG 2 38 PHE QD 3.500 . 4.200 4.230 4.076 4.359 0.159 7 0 "[ . 1]" 1
1355 2 36 MET QG 2 38 PHE QE 3.500 . 4.200 3.296 2.956 3.688 . 0 0 "[ . 1]" 1
1356 2 37 MET H 2 37 MET QB 3.300 . 3.800 2.845 2.688 3.302 . 0 0 "[ . 1]" 1
1357 2 37 MET H 2 37 MET QG 4.500 . 5.250 3.852 2.604 4.282 . 0 0 "[ . 1]" 1
1358 2 37 MET QB 2 37 MET ME 3.300 . 3.800 2.921 2.109 3.599 . 0 0 "[ . 1]" 1
1359 2 37 MET QB 2 38 PHE H 3.500 . 4.200 3.040 2.311 3.526 . 0 0 "[ . 1]" 1
1360 2 37 MET QB 2 48 TYR QD 5.500 . 6.500 5.384 4.359 6.659 0.159 7 0 "[ . 1]" 1
1361 2 37 MET QG 2 38 PHE H 4.500 . 5.250 2.615 1.762 3.913 0.038 7 0 "[ . 1]" 1
1362 2 38 PHE H 2 38 PHE QB 3.300 . 3.800 2.880 2.631 3.093 . 0 0 "[ . 1]" 1
1363 2 38 PHE QB 2 39 ASP H 3.500 . 4.200 2.468 2.153 3.286 . 0 0 "[ . 1]" 1
1364 2 39 ASP QB 2 43 GLY H 4.500 . 5.250 2.157 1.814 3.134 . 0 0 "[ . 1]" 1
1365 2 39 ASP QB 2 43 GLY QA 4.500 . 5.250 2.805 2.231 3.910 . 0 0 "[ . 1]" 1
1366 2 39 ASP QB 2 45 SER HA 3.300 . 3.800 3.821 3.603 3.919 0.119 8 0 "[ . 1]" 1
1367 2 40 PRO QB 2 41 GLN H 3.300 . 3.800 2.590 1.946 3.428 . 0 0 "[ . 1]" 1
1368 2 41 GLN H 2 41 GLN QB 2.800 . 3.100 2.355 2.272 2.451 . 0 0 "[ . 1]" 1
1369 2 41 GLN H 2 41 GLN QG 3.500 . 4.200 3.681 2.141 4.071 . 0 0 "[ . 1]" 1
1370 2 41 GLN QB 2 41 GLN HE21 3.300 . 3.800 2.593 1.801 3.106 . 0 0 "[ . 1]" 1
1371 2 41 GLN QB 2 41 GLN HE22 3.300 . 3.800 3.484 3.123 3.714 . 0 0 "[ . 1]" 1
1372 2 41 GLN QB 2 42 THR H 2.800 . 3.100 2.328 2.014 2.911 . 0 0 "[ . 1]" 1
1373 2 41 GLN QB 2 42 THR HA 4.500 . 5.250 4.098 3.853 4.520 . 0 0 "[ . 1]" 1
1374 2 41 GLN QB 2 42 THR MG 3.300 . 3.800 2.978 2.642 3.612 . 0 0 "[ . 1]" 1
1375 2 41 GLN QB 2 43 GLY H 4.500 . 5.250 4.522 4.034 5.074 . 0 0 "[ . 1]" 1
1376 2 41 GLN QG 2 42 THR H 3.500 . 4.200 3.597 3.118 4.060 . 0 0 "[ . 1]" 1
1377 2 42 THR H 2 43 GLY QA 4.500 . 5.250 4.488 3.752 4.682 . 0 0 "[ . 1]" 1
1378 2 50 PHE QD 2 81 SER QB 5.500 . 6.500 5.255 4.323 6.517 0.017 6 0 "[ . 1]" 1
1379 2 53 PHE H 2 58 SER QB 5.500 . 6.500 5.580 5.079 6.083 . 0 0 "[ . 1]" 1
1380 2 53 PHE HA 2 58 SER QB 4.500 . 5.250 4.130 3.911 4.508 . 0 0 "[ . 1]" 1
1381 2 53 PHE HB3 2 58 SER QB 4.500 . 5.250 2.406 2.013 2.942 . 0 0 "[ . 1]" 1
1382 2 53 PHE QD 2 58 SER QB 3.300 . 3.800 2.221 2.108 2.354 . 0 0 "[ . 1]" 1
1383 2 53 PHE QD 2 63 VAL QG 4.500 . 5.250 3.658 3.175 3.998 . 0 0 "[ . 1]" 1
1384 2 53 PHE QE 2 58 SER QB 4.500 . 5.250 3.711 3.452 4.103 . 0 0 "[ . 1]" 1
1385 2 53 PHE QE 2 63 VAL QG 3.500 . 4.200 4.131 3.851 4.315 0.115 4 0 "[ . 1]" 1
1386 2 53 PHE HZ 2 66 LEU QD 3.300 . 3.800 3.147 2.175 3.947 0.147 6 0 "[ . 1]" 1
1387 2 54 ARG H 2 54 ARG QB 2.800 . 3.100 2.257 2.132 2.603 . 0 0 "[ . 1]" 1
1388 2 54 ARG QB 2 55 ASP H 2.800 . 3.100 2.492 2.407 2.547 . 0 0 "[ . 1]" 1
1389 2 54 ARG QB 2 55 ASP HA 4.500 . 5.250 4.655 4.538 4.762 . 0 0 "[ . 1]" 1
1390 2 54 ARG QB 2 55 ASP QB 3.300 . 3.800 3.473 3.179 3.749 . 0 0 "[ . 1]" 1
1391 2 54 ARG QB 2 58 SER H 4.500 . 5.250 2.792 2.573 2.981 . 0 0 "[ . 1]" 1
1392 2 54 ARG QB 2 58 SER QB 3.500 . 4.200 2.388 2.205 2.582 . 0 0 "[ . 1]" 1
1393 2 55 ASP H 2 56 LEU QD 5.500 . 6.500 5.286 4.854 5.781 . 0 0 "[ . 1]" 1
1394 2 55 ASP H 2 57 GLU QB 4.500 . 5.250 4.111 4.015 4.259 . 0 0 "[ . 1]" 1
1395 2 55 ASP H 2 58 SER QB 3.300 . 3.800 2.869 2.474 3.740 . 0 0 "[ . 1]" 1
1396 2 55 ASP HA 2 56 LEU QD 3.500 . 4.200 3.669 3.231 4.205 0.005 3 0 "[ . 1]" 1
1397 2 55 ASP QB 2 56 LEU H 2.800 . 3.100 2.243 2.043 2.829 . 0 0 "[ . 1]" 1
1398 2 55 ASP QB 2 56 LEU HB3 4.500 . 5.250 4.943 4.791 5.292 0.042 2 0 "[ . 1]" 1
1399 2 55 ASP QB 2 57 GLU H 3.500 . 4.200 2.579 2.411 2.684 . 0 0 "[ . 1]" 1
1400 2 55 ASP QB 2 58 SER H 3.500 . 4.200 4.039 3.773 4.194 . 0 0 "[ . 1]" 1
1401 2 56 LEU HA 2 56 LEU QD 2.800 . 3.100 2.425 1.955 2.958 . 0 0 "[ . 1]" 1
1402 2 56 LEU QD 2 57 GLU H 3.500 . 4.200 3.934 3.759 4.152 . 0 0 "[ . 1]" 1
1403 2 56 LEU QD 2 60 ALA H 4.500 . 5.250 4.527 4.020 4.920 . 0 0 "[ . 1]" 1
1404 2 56 LEU QD 2 60 ALA MB 3.500 . 4.200 3.771 3.357 4.245 0.045 1 0 "[ . 1]" 1
1405 2 57 GLU H 2 57 GLU QB 2.800 . 3.100 2.427 2.212 2.510 . 0 0 "[ . 1]" 1
1406 2 57 GLU H 2 57 GLU QG 3.500 . 4.200 2.734 2.051 4.011 . 0 0 "[ . 1]" 1
1407 2 57 GLU HA 2 57 GLU QG 2.800 . 3.100 2.524 2.249 2.898 . 0 0 "[ . 1]" 1
1408 2 57 GLU QB 2 58 SER QB 4.500 . 5.250 3.894 3.463 4.103 . 0 0 "[ . 1]" 1
1409 2 58 SER H 2 58 SER QB 2.800 . 3.100 2.529 2.313 2.646 . 0 0 "[ . 1]" 1
1410 2 58 SER H 2 61 SER QB 4.500 . 5.250 5.320 5.253 5.412 0.162 2 0 "[ . 1]" 1
1411 2 58 SER QB 2 59 SER H 3.300 . 3.800 2.693 2.436 3.375 . 0 0 "[ . 1]" 1
1412 2 59 SER HA 2 63 VAL QG 3.500 . 4.200 2.815 2.235 3.742 . 0 0 "[ . 1]" 1
1413 2 60 ALA H 2 61 SER QB 4.500 . 5.250 4.602 4.523 4.745 . 0 0 "[ . 1]" 1
1414 2 60 ALA H 2 63 VAL QG 4.500 . 5.250 4.352 4.010 4.696 . 0 0 "[ . 1]" 1
1415 2 60 ALA MB 2 63 VAL QG 4.500 . 5.250 4.521 3.926 4.881 . 0 0 "[ . 1]" 1
1416 2 61 SER H 2 61 SER QB 2.800 . 3.100 2.321 2.256 2.434 . 0 0 "[ . 1]" 1
1417 2 61 SER H 2 63 VAL QG 4.500 . 5.250 5.172 4.531 5.428 0.178 4 0 "[ . 1]" 1
1418 2 61 SER HA 2 65 ASN QD 3.500 . 4.200 2.898 2.400 3.385 . 0 0 "[ . 1]" 1
1419 2 61 SER QB 2 62 ALA H 3.500 . 4.200 2.578 2.411 2.700 . 0 0 "[ . 1]" 1
1420 2 61 SER QB 2 65 ASN QD 3.500 . 4.200 3.365 2.433 4.193 . 0 0 "[ . 1]" 1
1421 2 62 ALA H 2 63 VAL QG 4.500 . 5.250 4.219 3.705 4.628 . 0 0 "[ . 1]" 1
1422 2 62 ALA H 2 66 LEU QD 4.500 . 5.250 5.090 4.659 5.328 0.078 9 0 "[ . 1]" 1
1423 2 62 ALA HA 2 66 LEU QD 3.300 . 3.800 2.987 2.175 3.492 . 0 0 "[ . 1]" 1
1424 2 62 ALA MB 2 63 VAL QG 3.500 . 4.200 3.130 2.715 3.884 . 0 0 "[ . 1]" 1
1425 2 62 ALA MB 2 66 LEU QD 2.800 . 3.100 2.585 2.140 2.875 . 0 0 "[ . 1]" 1
1426 2 63 VAL H 2 63 VAL QG 2.800 . 3.100 2.222 1.822 2.927 . 0 0 "[ . 1]" 1
1427 2 63 VAL H 2 66 LEU QD 4.500 . 5.250 4.755 4.265 5.028 . 0 0 "[ . 1]" 1
1428 2 63 VAL HB 2 67 ASN QD 5.500 . 6.500 4.977 3.104 6.519 0.019 7 0 "[ . 1]" 1
1429 2 63 VAL QG 2 64 ARG H 3.500 . 4.200 2.791 1.766 3.439 0.034 10 0 "[ . 1]" 1
1430 2 63 VAL QG 2 64 ARG HA 4.500 . 5.250 3.418 2.920 3.850 . 0 0 "[ . 1]" 1
1431 2 63 VAL QG 2 66 LEU H 5.500 . 6.500 4.551 4.336 5.064 . 0 0 "[ . 1]" 1
1432 2 63 VAL QG 2 67 ASN H 4.500 . 5.250 4.308 3.624 4.958 . 0 0 "[ . 1]" 1
1433 2 63 VAL QG 2 67 ASN QD 4.500 . 5.250 3.065 1.968 5.004 . 0 0 "[ . 1]" 1
1434 2 63 VAL QG 2 79 GLY H 3.500 . 4.200 3.460 2.792 3.985 . 0 0 "[ . 1]" 1
1435 2 63 VAL QG 2 79 GLY QA 4.500 . 5.250 4.631 3.931 4.899 . 0 0 "[ . 1]" 1
1436 2 64 ARG H 2 65 ASN QD 4.500 . 5.250 4.783 3.811 5.308 0.058 1 0 "[ . 1]" 1
1437 2 64 ARG QB 2 65 ASN QD 3.500 . 4.200 3.497 2.264 4.245 0.045 5 0 "[ . 1]" 1
1438 2 65 ASN H 2 65 ASN QD 3.300 . 3.800 2.902 1.827 3.426 . 0 0 "[ . 1]" 1
1439 2 65 ASN H 2 66 LEU QD 4.500 . 5.250 4.538 3.514 5.285 0.035 4 0 "[ . 1]" 1
1440 2 65 ASN HA 2 66 LEU QD 5.500 . 6.500 4.523 3.855 5.509 . 0 0 "[ . 1]" 1
1441 2 65 ASN HB2 2 66 LEU QD 3.500 . 4.200 3.170 2.143 4.234 0.034 4 0 "[ . 1]" 1
1442 2 65 ASN HB3 2 65 ASN QD 3.300 . 3.800 3.016 2.256 3.384 . 0 0 "[ . 1]" 1
1443 2 66 LEU H 2 66 LEU QD 3.300 . 3.800 2.949 1.862 3.453 . 0 0 "[ . 1]" 1
1444 2 66 LEU H 2 67 ASN QB 4.500 . 5.250 4.648 4.411 5.102 . 0 0 "[ . 1]" 1
1445 2 66 LEU HA 2 66 LEU QD 2.800 . 3.100 2.305 2.006 3.185 0.085 1 0 "[ . 1]" 1
1446 2 66 LEU HA 2 76 LEU QD 3.300 . 3.800 3.344 2.957 3.892 0.092 1 0 "[ . 1]" 1
1447 2 66 LEU QD 2 67 ASN H 4.500 . 5.250 4.154 3.286 4.606 . 0 0 "[ . 1]" 1
1448 2 66 LEU QD 2 69 TYR HB2 4.500 . 5.250 5.047 4.406 5.391 0.141 1 0 "[ . 1]" 1
1449 2 66 LEU QD 2 69 TYR HB3 4.500 . 5.250 4.233 3.803 4.784 . 0 0 "[ . 1]" 1
1450 2 66 LEU QD 2 69 TYR QD 3.300 . 3.800 3.394 2.839 3.823 0.023 10 0 "[ . 1]" 1
1451 2 66 LEU QD 2 69 TYR QE 4.500 . 5.250 3.828 1.995 4.691 . 0 0 "[ . 1]" 1
1452 2 66 LEU QD 2 71 LEU QD 4.500 . 5.250 4.547 4.076 4.947 . 0 0 "[ . 1]" 1
1453 2 67 ASN H 2 67 ASN QB 2.800 . 3.100 2.490 2.081 3.222 0.122 1 0 "[ . 1]" 1
1454 2 67 ASN H 2 67 ASN QD 3.500 . 4.200 3.627 2.685 4.182 . 0 0 "[ . 1]" 1
1455 2 67 ASN H 2 76 LEU QD 4.500 . 5.250 3.950 3.123 4.609 . 0 0 "[ . 1]" 1
1456 2 67 ASN HA 2 76 LEU QD 3.500 . 4.200 3.491 2.411 4.390 0.190 6 0 "[ . 1]" 1
1457 2 67 ASN QB 2 67 ASN QD 2.800 . 3.100 2.348 2.181 2.757 . 0 0 "[ . 1]" 1
1458 2 67 ASN QB 2 68 GLY H 3.500 . 4.200 2.102 1.777 2.946 0.023 3 0 "[ . 1]" 1
1459 2 68 GLY H 2 76 LEU QD 4.500 . 5.250 3.840 3.600 4.602 . 0 0 "[ . 1]" 1
1460 2 69 TYR H 2 76 LEU QD 3.300 . 3.800 2.144 1.794 2.594 0.006 8 0 "[ . 1]" 1
1461 2 69 TYR HB2 2 76 LEU QD 3.500 . 4.200 4.341 4.169 4.502 0.302 9 0 "[ . 1]" 1
1462 2 69 TYR HB3 2 76 LEU QD 3.500 . 4.200 3.207 2.839 4.070 . 0 0 "[ . 1]" 1
1463 2 69 TYR QD 2 71 LEU QB 3.300 . 3.800 3.126 2.257 3.446 . 0 0 "[ . 1]" 1
1464 2 69 TYR QD 2 71 LEU QD 3.300 . 3.800 3.398 3.210 3.616 . 0 0 "[ . 1]" 1
1465 2 69 TYR QD 2 76 LEU QD 3.300 . 3.800 2.113 2.002 2.225 . 0 0 "[ . 1]" 1
1466 2 69 TYR QE 2 71 LEU QB 3.500 . 4.200 2.662 2.187 2.899 . 0 0 "[ . 1]" 1
1467 2 69 TYR QE 2 71 LEU QD 2.800 . 3.100 2.288 2.090 2.500 . 0 0 "[ . 1]" 1
1468 2 69 TYR QE 2 76 LEU QD 4.500 . 5.250 2.879 1.934 3.493 . 0 0 "[ . 1]" 1
1469 2 70 GLN H 2 70 GLN QB 2.800 . 3.100 2.288 2.193 2.431 . 0 0 "[ . 1]" 1
1470 2 70 GLN H 2 76 LEU QD 5.500 . 6.500 5.333 5.183 5.576 . 0 0 "[ . 1]" 1
1471 2 70 GLN QB 2 70 GLN HE21 2.800 . 3.100 2.754 1.856 3.210 0.110 2 0 "[ . 1]" 1
1472 2 70 GLN QB 2 70 GLN HE22 3.300 . 3.800 3.590 3.257 3.801 0.001 2 0 "[ . 1]" 1
1473 2 70 GLN QB 2 71 LEU H 3.500 . 4.200 3.924 3.786 4.057 . 0 0 "[ . 1]" 1
1474 2 70 GLN QB 2 75 PHE QE 3.500 . 4.200 4.069 3.836 4.230 0.030 7 0 "[ . 1]" 1
1475 2 71 LEU H 2 71 LEU QB 2.800 . 3.100 2.757 2.682 2.809 . 0 0 "[ . 1]" 1
1476 2 71 LEU H 2 71 LEU QD 4.500 . 5.250 3.982 3.749 4.065 . 0 0 "[ . 1]" 1
1477 2 71 LEU H 2 76 LEU QD 4.500 . 5.250 4.521 4.219 4.961 . 0 0 "[ . 1]" 1
1478 2 71 LEU HA 2 71 LEU QD 2.800 . 3.100 2.402 2.051 3.050 . 0 0 "[ . 1]" 1
1479 2 71 LEU HA 2 72 GLY QA 3.500 . 4.200 3.995 3.976 4.019 . 0 0 "[ . 1]" 1
1480 2 71 LEU QB 2 72 GLY H 3.500 . 4.200 3.776 3.603 3.965 . 0 0 "[ . 1]" 1
1481 2 71 LEU QB 2 76 LEU QD 3.500 . 4.200 2.757 2.132 3.199 . 0 0 "[ . 1]" 1
1482 2 71 LEU QD 2 72 GLY H 2.800 . 3.100 2.669 1.900 3.158 0.058 9 0 "[ . 1]" 1
1483 2 71 LEU QD 2 72 GLY QA 3.500 . 4.200 3.261 2.661 3.822 . 0 0 "[ . 1]" 1
1484 2 72 GLY QA 2 73 SER H 2.800 . 3.100 2.307 2.239 2.343 . 0 0 "[ . 1]" 1
1485 2 72 GLY QA 2 74 ARG H 3.500 . 4.200 3.120 2.987 3.257 . 0 0 "[ . 1]" 1
1486 2 74 ARG H 2 74 ARG QB 2.800 . 3.100 2.642 2.505 2.781 . 0 0 "[ . 1]" 1
1487 2 74 ARG QB 2 75 PHE H 3.300 . 3.800 2.793 2.461 3.502 . 0 0 "[ . 1]" 1
1488 2 74 ARG QG 2 75 PHE H 4.500 . 5.250 3.407 1.878 4.272 . 0 0 "[ . 1]" 1
1489 2 75 PHE QD 2 76 LEU QD 4.500 . 5.250 4.211 3.955 4.534 . 0 0 "[ . 1]" 1
1490 2 76 LEU H 2 76 LEU QD 3.500 . 4.200 1.753 1.700 1.834 0.100 2 0 "[ . 1]" 1
1491 2 76 LEU HA 2 76 LEU QD 3.500 . 4.200 3.187 2.978 3.323 . 0 0 "[ . 1]" 1
1492 2 81 SER H 2 81 SER QB 2.800 . 3.100 2.561 2.080 3.117 0.017 8 0 "[ . 1]" 1
1493 2 82 SER H 2 83 ASN QB 4.500 . 5.250 4.796 3.665 5.259 0.009 9 0 "[ . 1]" 1
1494 2 82 SER HA 2 83 ASN QB 4.500 . 5.250 4.400 3.930 5.337 0.087 3 0 "[ . 1]" 1
1495 2 82 SER QB 2 83 ASN H 3.500 . 4.200 3.374 2.473 4.061 . 0 0 "[ . 1]" 1
1496 2 83 ASN H 2 83 ASN QB 2.800 . 3.100 2.571 2.253 2.851 . 0 0 "[ . 1]" 1
1497 2 83 ASN QB 2 83 ASN QD 2.800 . 3.100 2.401 2.216 2.823 . 0 0 "[ . 1]" 1
1498 2 83 ASN QB 2 84 SER H 3.300 . 3.800 3.063 2.014 3.949 0.149 8 0 "[ . 1]" 1
1499 2 83 ASN QB 2 84 SER HA 4.500 . 5.250 4.578 3.990 5.041 . 0 0 "[ . 1]" 1
1500 1 8 A H1' 1 8 A H8 3.300 . 3.800 3.860 3.839 3.891 0.091 7 0 "[ . 1]" 1
1501 1 8 A H2' 1 8 A H8 4.500 . 5.250 2.801 1.860 3.550 . 0 0 "[ . 1]" 1
1502 1 9 A H1' 1 10 U H5 5.500 . 6.500 5.587 3.315 6.597 0.097 10 0 "[ . 1]" 1
1503 1 9 A H1' 1 10 U H6 5.500 . 6.500 4.949 3.773 5.922 . 0 0 "[ . 1]" 1
1504 1 9 A H2' 1 10 U H5 5.500 . 6.500 3.952 1.568 6.939 0.439 10 0 "[ . 1]" 1
1505 1 9 A H2' 1 10 U H6 5.500 . 6.500 4.050 1.523 6.531 0.277 3 0 "[ . 1]" 1
1506 1 10 U H1' 1 10 U H6 3.300 . 3.800 3.649 3.560 3.724 . 0 0 "[ . 1]" 1
1507 1 10 U H1' 1 11 A H8 5.500 . 6.500 4.167 3.230 6.574 0.074 9 0 "[ . 1]" 1
1508 1 10 U H2' 1 10 U H6 4.500 . 5.250 2.766 1.847 3.630 . 0 0 "[ . 1]" 1
1509 1 10 U H2' 1 11 A H8 5.500 . 6.500 2.230 1.178 4.784 0.622 6 4 "[* -+ *]" 1
1510 1 10 U H3' 1 11 A H8 5.500 . 6.500 3.179 2.422 4.560 . 0 0 "[ . 1]" 1
1511 1 10 U H6 1 11 A H8 5.500 . 6.500 4.356 1.992 6.539 0.039 3 0 "[ . 1]" 1
1512 1 11 A H1' 1 11 A H2 5.500 . 6.500 4.522 4.244 4.648 . 0 0 "[ . 1]" 1
1513 1 11 A H1' 1 12 A H8 4.500 . 5.250 3.998 3.318 4.906 . 0 0 "[ . 1]" 1
1514 1 11 A H2 1 12 A H8 5.500 . 6.500 6.323 5.684 6.917 0.417 7 0 "[ . 1]" 1
1515 1 11 A H2' 1 12 A H8 3.300 . 3.800 2.745 2.043 4.421 0.621 7 1 "[ . + 1]" 1
1516 1 11 A H8 1 12 A H8 5.500 . 6.500 5.421 3.762 6.600 0.100 7 0 "[ . 1]" 1
1517 1 12 A H1' 1 12 A H2 5.500 . 6.500 4.585 4.441 4.648 . 0 0 "[ . 1]" 1
1518 1 12 A H1' 1 13 U H5 5.500 . 6.500 5.643 4.778 6.118 . 0 0 "[ . 1]" 1
1519 1 12 A H1' 1 13 U H6 4.500 . 5.250 4.652 3.396 5.263 0.013 4 0 "[ . 1]" 1
1520 1 12 A H2' 1 13 U H5 4.500 . 5.250 3.000 2.159 3.479 . 0 0 "[ . 1]" 1
1521 1 12 A H2' 1 13 U H6 3.300 . 3.800 3.195 2.189 3.727 . 0 0 "[ . 1]" 1
1522 1 12 A H2 1 13 U H1' 5.500 . 6.500 4.694 2.722 6.508 0.008 8 0 "[ . 1]" 1
1523 1 13 U H1' 1 13 U H5 5.500 . 6.500 5.394 5.387 5.399 . 0 0 "[ . 1]" 1
1524 1 13 U H1' 1 13 U H6 5.500 . 6.500 3.664 3.651 3.672 . 0 0 "[ . 1]" 1
1525 1 13 U H3' 1 13 U H5 5.500 . 6.500 6.247 6.061 6.526 0.026 7 0 "[ . 1]" 1
1526 1 13 U H3' 1 13 U H6 4.500 . 5.250 3.930 3.649 4.342 . 0 0 "[ . 1]" 1
1527 1 12 A H8 1 13 U H5 5.500 . 6.500 5.641 4.793 6.494 . 0 0 "[ . 1]" 1
1528 1 8 A H2 2 8 TYR HA 5.500 . 6.500 5.916 4.825 6.513 0.013 4 0 "[ . 1]" 1
1529 1 8 A H2 2 8 TYR HB3 5.500 . 6.500 4.926 3.906 6.096 . 0 0 "[ . 1]" 1
1530 1 8 A H2 2 8 TYR HD1 4.500 . 5.250 4.871 2.584 5.342 0.092 5 0 "[ . 1]" 1
1531 1 8 A H2 2 8 TYR HE1 5.500 . 6.500 4.875 3.171 5.432 . 0 0 "[ . 1]" 1
1532 1 8 A H2 2 8 TYR HB2 5.500 . 6.500 3.955 2.892 5.611 . 0 0 "[ . 1]" 1
1533 1 8 A H2 2 8 TYR HD2 4.500 . 5.250 2.788 2.127 3.950 . 0 0 "[ . 1]" 1
1534 1 8 A H2 2 8 TYR HE2 5.500 . 6.500 2.788 2.237 4.158 . 0 0 "[ . 1]" 1
1535 1 8 A H2 2 79 GLY HA3 3.300 . 3.800 3.175 2.081 3.862 0.062 3 0 "[ . 1]" 1
1536 1 8 A H2 2 79 GLY HA2 3.300 . 3.800 3.152 2.280 3.883 0.083 5 0 "[ . 1]" 1
1537 1 8 A H1' 2 8 TYR QB 5.500 . 6.500 4.570 3.111 6.585 0.085 4 0 "[ . 1]" 1
1538 1 8 A H1' 2 8 TYR QE 4.500 . 5.250 4.953 4.074 5.339 0.089 1 0 "[ . 1]" 1
1539 1 8 A H1' 2 48 TYR QE 5.500 . 6.500 6.051 4.556 6.836 0.336 10 0 "[ . 1]" 1
1540 1 8 A H2' 2 8 TYR QE 5.500 . 6.500 5.311 3.669 6.620 0.120 10 0 "[ . 1]" 1
1541 1 9 A H1' 2 8 TYR QE 5.500 . 6.500 4.780 3.830 5.593 . 0 0 "[ . 1]" 1
1542 1 9 A H2' 2 8 TYR QE 5.500 . 6.500 6.149 5.329 6.764 0.264 10 0 "[ . 1]" 1
1543 1 9 A H1' 2 50 PHE QE 5.500 . 6.500 2.325 1.584 3.059 0.216 7 0 "[ . 1]" 1
1544 1 9 A H2' 2 50 PHE QE 5.500 . 6.500 4.412 3.789 5.294 . 0 0 "[ . 1]" 1
1545 1 9 A H2 2 7 VAL H 5.500 . 6.500 6.417 5.750 6.632 0.132 10 0 "[ . 1]" 1
1546 1 9 A H2 2 8 TYR HA 4.500 . 5.250 4.886 3.971 5.319 0.069 7 0 "[ . 1]" 1
1547 1 9 A H2 2 8 TYR HB3 5.500 . 6.500 4.834 3.268 5.613 . 0 0 "[ . 1]" 1
1548 1 9 A H2 2 8 TYR HD1 3.500 . 4.200 3.527 2.740 4.856 0.656 9 1 "[ . +1]" 1
1549 1 9 A H2 2 8 TYR HE1 4.500 . 5.250 2.813 2.182 4.003 . 0 0 "[ . 1]" 1
1550 1 9 A H2 2 8 TYR HB2 5.500 . 6.500 5.692 4.333 6.253 . 0 0 "[ . 1]" 1
1551 1 9 A H2 2 8 TYR HD2 4.500 . 5.250 4.827 4.093 5.346 0.096 8 0 "[ . 1]" 1
1552 1 9 A H2 2 8 TYR HE2 4.500 . 5.250 4.343 3.392 4.942 . 0 0 "[ . 1]" 1
1553 1 9 A H2 2 50 PHE HB3 4.500 . 5.250 4.014 2.783 4.559 . 0 0 "[ . 1]" 1
1554 1 9 A H2 2 50 PHE HD1 4.500 . 5.250 4.365 3.141 5.005 . 0 0 "[ . 1]" 1
1555 1 9 A H2 2 50 PHE QE . . 5.250 3.162 2.384 4.410 . 0 0 "[ . 1]" 1
1556 1 9 A H2 2 50 PHE HB2 4.500 . 5.250 5.115 3.965 5.590 0.340 5 0 "[ . 1]" 1
1557 1 9 A H2 2 50 PHE HD2 4.500 . 5.250 3.654 2.809 4.685 . 0 0 "[ . 1]" 1
1558 1 9 A H2 2 51 ILE H 5.500 . 6.500 5.995 5.438 6.259 . 0 0 "[ . 1]" 1
1559 1 9 A H8 2 8 TYR QD 5.500 . 6.500 5.132 4.523 5.810 . 0 0 "[ . 1]" 1
1560 1 9 A H8 2 8 TYR QE 4.500 . 5.250 4.883 3.654 5.338 0.088 10 0 "[ . 1]" 1
1561 1 9 A H8 2 48 TYR QE 5.500 . 6.500 6.051 5.019 6.631 0.131 7 0 "[ . 1]" 1
1562 1 9 A H8 2 50 PHE QE 5.500 . 6.500 5.526 4.948 5.821 . 0 0 "[ . 1]" 1
1563 1 10 U H1' 2 50 PHE QE 5.500 . 6.500 4.752 3.631 6.073 . 0 0 "[ . 1]" 1
1564 1 10 U H6 2 50 PHE QE 5.500 . 6.500 4.584 3.406 5.321 . 0 0 "[ . 1]" 1
1565 1 10 U H5 2 37 MET ME 4.500 . 5.250 4.777 2.820 5.394 0.144 7 0 "[ . 1]" 1
1566 1 10 U H6 2 37 MET ME 3.500 . 4.200 3.935 2.990 4.309 0.109 1 0 "[ . 1]" 1
1567 1 11 A H1' 2 37 MET QG 5.500 . 6.500 5.144 2.861 6.695 0.195 8 0 "[ . 1]" 1
1568 1 11 A H2' 2 37 MET QG 5.500 . 6.500 4.502 2.664 5.531 . 0 0 "[ . 1]" 1
1569 1 11 A H2 2 37 MET QG 5.500 . 6.500 6.271 5.127 6.676 0.176 7 0 "[ . 1]" 1
1570 1 11 A H8 2 37 MET QG 5.500 . 6.500 4.642 3.759 5.035 . 0 0 "[ . 1]" 1
1571 1 12 A H8 2 37 MET QG 5.500 . 6.500 5.913 3.719 6.989 0.489 7 0 "[ . 1]" 1
1572 1 11 A H1' 2 37 MET ME 4.500 . 5.250 4.138 2.186 5.257 0.007 10 0 "[ . 1]" 1
1573 1 11 A H2 2 37 MET ME 4.500 . 5.250 4.808 4.215 5.278 0.028 10 0 "[ . 1]" 1
1574 1 11 A H8 2 37 MET ME 3.500 . 4.200 2.991 2.196 4.117 . 0 0 "[ . 1]" 1
1575 1 10 U H5 2 48 TYR HB3 5.500 . 6.500 5.611 4.277 6.490 . 0 0 "[ . 1]" 1
1576 1 10 U H5 2 48 TYR HB2 5.500 . 6.500 6.019 4.191 6.655 0.155 3 0 "[ . 1]" 1
1577 1 10 U H6 2 48 TYR HB3 4.500 . 5.250 4.646 3.467 5.462 0.212 10 0 "[ . 1]" 1
1578 1 10 U H6 2 48 TYR HB2 5.500 . 6.500 5.206 3.836 6.066 . 0 0 "[ . 1]" 1
1579 2 48 TYR QE 2 50 PHE QE 5.500 . 6.500 4.643 2.116 5.866 . 0 0 "[ . 1]" 1
1580 1 10 U H5 2 48 TYR QD 4.500 . 5.250 4.617 3.276 5.493 0.243 4 0 "[ . 1]" 1
1581 1 10 U H5 2 48 TYR QE 5.500 . 6.500 4.872 1.913 6.472 . 0 0 "[ . 1]" 1
1582 1 10 U H6 2 48 TYR QD 4.500 . 5.250 4.392 1.754 5.379 0.129 6 0 "[ . 1]" 1
1583 1 10 U H6 2 48 TYR QE 5.500 . 6.500 5.198 2.337 6.177 . 0 0 "[ . 1]" 1
1584 1 10 U H5 2 50 PHE HZ 5.500 . 6.500 5.179 2.290 6.634 0.134 10 0 "[ . 1]" 1
1585 1 10 U H6 2 50 PHE HZ 5.500 . 6.500 4.237 2.549 5.158 . 0 0 "[ . 1]" 1
1586 1 11 A H8 2 50 PHE QE 5.500 . 6.500 6.468 6.250 6.615 0.115 2 0 "[ . 1]" 1
1587 1 9 A H2 2 51 ILE MD 5.500 . 6.500 6.577 6.502 6.649 0.149 8 0 "[ . 1]" 1
1588 3 2 GLU H 3 3 SER H 4.500 . 5.250 4.062 2.694 4.615 . 0 0 "[ . 1]" 1
1589 3 3 SER HA 3 4 CYS H 3.300 . 3.800 2.314 2.227 2.411 . 0 0 "[ . 1]" 1
1590 3 3 SER H 3 4 CYS H 4.500 . 5.250 4.451 4.364 4.544 . 0 0 "[ . 1]" 1
1591 3 4 CYS HA 3 58 VAL HB 4.500 . 5.250 4.581 4.032 5.296 0.046 9 0 "[ . 1]" 1
1592 3 4 CYS HA 3 58 VAL QG 3.500 . 4.200 2.639 2.184 3.782 . 0 0 "[ . 1]" 1
1593 3 4 CYS QB 3 51 SER HA 5.500 . 6.500 4.443 3.845 5.303 . 0 0 "[ . 1]" 1
1594 3 4 CYS QB 3 52 PHE HA 5.500 . 6.500 4.748 4.361 5.283 . 0 0 "[ . 1]" 1
1595 3 4 CYS QB 3 52 PHE H 4.500 . 5.250 3.526 2.543 4.734 . 0 0 "[ . 1]" 1
1596 3 4 CYS QB 3 54 LYS HA 4.500 . 5.250 4.740 3.196 5.294 0.044 9 0 "[ . 1]" 1
1597 3 4 CYS QB 3 54 LYS H 5.500 . 6.500 4.741 2.879 5.392 . 0 0 "[ . 1]" 1
1598 3 4 CYS QB 3 55 PRO HA 2.800 . 3.100 2.778 2.259 3.196 0.096 3 0 "[ . 1]" 1
1599 3 4 CYS QB 3 55 PRO QG 4.500 . 5.250 3.970 3.514 4.539 . 0 0 "[ . 1]" 1
1600 3 4 CYS QB 3 58 VAL QG 5.500 . 6.500 3.130 2.098 3.764 . 0 0 "[ . 1]" 1
1601 3 4 CYS QB 3 5 LYS HA 5.500 . 6.500 4.386 4.083 4.825 . 0 0 "[ . 1]" 1
1602 3 4 CYS QB 3 5 LYS H 5.500 . 6.500 3.750 3.231 4.040 . 0 0 "[ . 1]" 1
1603 3 4 CYS H 3 5 LYS H 3.300 . 3.800 2.771 1.666 3.967 0.167 9 0 "[ . 1]" 1
1604 3 5 LYS HA 3 50 LEU QD 5.500 . 6.500 5.370 4.555 6.004 . 0 0 "[ . 1]" 1
1605 3 5 LYS HA 3 51 SER HA 2.800 . 3.100 2.243 2.153 2.385 . 0 0 "[ . 1]" 1
1606 3 5 LYS HA 3 51 SER QB 3.500 . 4.200 4.012 3.056 4.347 0.147 1 0 "[ . 1]" 1
1607 3 5 LYS HA 3 52 PHE H 5.500 . 6.500 3.200 2.735 3.843 . 0 0 "[ . 1]" 1
1608 3 5 LYS HA 3 58 VAL QG 5.500 . 6.500 4.457 3.985 4.992 . 0 0 "[ . 1]" 1
1609 3 5 LYS HA 3 5 LYS QD 3.500 . 4.200 3.708 2.232 4.050 . 0 0 "[ . 1]" 1
1610 3 5 LYS HA 3 5 LYS QE 4.500 . 5.250 4.355 4.136 4.533 . 0 0 "[ . 1]" 1
1611 3 5 LYS HA 3 5 LYS QG 3.500 . 4.200 2.303 2.232 2.379 . 0 0 "[ . 1]" 1
1612 3 5 LYS HA 3 6 MET H 3.300 . 3.800 2.270 2.196 2.339 . 0 0 "[ . 1]" 1
1613 3 5 LYS HA 3 78 ALA MB 5.500 . 6.500 4.351 4.075 4.626 . 0 0 "[ . 1]" 1
1614 3 5 LYS QB 3 51 SER HA 4.500 . 5.250 3.827 3.188 4.193 . 0 0 "[ . 1]" 1
1615 3 5 LYS QB 3 6 MET H 5.500 . 6.500 3.742 3.528 4.004 . 0 0 "[ . 1]" 1
1616 3 5 LYS QB 3 78 ALA HA 5.500 . 6.500 4.628 4.239 5.029 . 0 0 "[ . 1]" 1
1617 3 5 LYS QD 3 51 SER HA 4.500 . 5.250 4.527 2.728 5.329 0.079 4 0 "[ . 1]" 1
1618 3 5 LYS QE 3 49 PHE QD 4.500 . 5.250 2.700 2.096 4.034 . 0 0 "[ . 1]" 1
1619 3 5 LYS QE 3 51 SER HA 5.500 . 6.500 4.822 4.248 5.821 . 0 0 "[ . 1]" 1
1620 3 5 LYS QG 3 49 PHE QD 3.500 . 4.200 2.590 2.256 2.905 . 0 0 "[ . 1]" 1
1621 3 5 LYS QG 3 51 SER HA 4.500 . 5.250 3.175 2.544 3.827 . 0 0 "[ . 1]" 1
1622 3 5 LYS QG 3 6 MET H 5.500 . 6.500 2.752 2.126 3.657 . 0 0 "[ . 1]" 1
1623 3 5 LYS QG 3 7 PHE QD 4.500 . 5.250 5.049 4.505 5.450 0.200 7 0 "[ . 1]" 1
1624 3 5 LYS H 3 51 SER HA 5.500 . 6.500 4.744 4.519 4.954 . 0 0 "[ . 1]" 1
1625 3 5 LYS H 3 5 LYS QB 3.500 . 4.200 2.350 2.258 2.405 . 0 0 "[ . 1]" 1
1626 3 5 LYS H 3 6 MET H 5.500 . 6.500 4.441 3.943 4.632 . 0 0 "[ . 1]" 1
1627 3 6 MET HA 3 50 LEU QD 5.500 . 6.500 5.718 5.244 6.116 . 0 0 "[ . 1]" 1
1628 3 6 MET HA 3 58 VAL QG 5.500 . 6.500 3.793 3.275 4.288 . 0 0 "[ . 1]" 1
1629 3 6 MET HA 3 6 MET ME 5.500 . 6.500 3.659 2.907 4.493 . 0 0 "[ . 1]" 1
1630 3 6 MET HA 3 6 MET QG 3.500 . 4.200 2.711 2.111 3.411 . 0 0 "[ . 1]" 1
1631 3 6 MET HA 3 76 LYS H 5.500 . 6.500 4.993 4.248 5.395 . 0 0 "[ . 1]" 1
1632 3 6 MET HA 3 77 ARG HA 2.800 . 3.100 2.388 2.247 2.578 . 0 0 "[ . 1]" 1
1633 3 6 MET HA 3 78 ALA H 4.500 . 5.250 2.545 1.859 2.887 . 0 0 "[ . 1]" 1
1634 3 6 MET HA 3 7 PHE H 3.300 . 3.800 2.340 2.159 2.492 . 0 0 "[ . 1]" 1
1635 3 6 MET HA 3 8 ILE MD 5.500 . 6.500 5.505 4.363 6.619 0.119 4 0 "[ . 1]" 1
1636 3 6 MET QB 3 50 LEU QD 5.500 . 6.500 3.514 2.882 4.288 . 0 0 "[ . 1]" 1
1637 3 6 MET QB 3 50 LEU HG 5.500 . 6.500 4.815 3.787 6.250 . 0 0 "[ . 1]" 1
1638 3 6 MET QB 3 50 LEU H 5.500 . 6.500 3.373 2.675 4.116 . 0 0 "[ . 1]" 1
1639 3 6 MET QB 3 58 VAL QG 3.500 . 4.200 3.253 2.546 3.810 . 0 0 "[ . 1]" 1
1640 3 6 MET QB 3 75 PRO HA 4.500 . 5.250 5.005 4.038 5.335 0.085 10 0 "[ . 1]" 1
1641 3 6 MET QB 3 7 PHE H 4.500 . 5.250 2.874 2.628 3.190 . 0 0 "[ . 1]" 1
1642 3 6 MET QB 3 8 ILE MD 4.500 . 5.250 3.493 2.260 4.872 . 0 0 "[ . 1]" 1
1643 3 6 MET ME 3 24 PHE QD 4.500 . 5.250 4.536 3.970 5.067 . 0 0 "[ . 1]" 1
1644 3 6 MET ME 3 24 PHE QE 4.500 . 5.250 3.477 2.552 4.287 . 0 0 "[ . 1]" 1
1645 3 6 MET ME 3 24 PHE HZ 4.500 . 5.250 4.368 3.392 5.247 . 0 0 "[ . 1]" 1
1646 3 6 MET ME 3 50 LEU QD 3.500 . 4.200 3.758 3.282 4.235 0.035 1 0 "[ . 1]" 1
1647 3 6 MET ME 3 52 PHE QD 5.500 . 6.500 4.701 4.004 5.806 . 0 0 "[ . 1]" 1
1648 3 6 MET ME 3 52 PHE QE 3.500 . 4.200 3.577 2.975 4.082 . 0 0 "[ . 1]" 1
1649 3 6 MET ME 3 58 VAL HA 4.500 . 5.250 4.632 4.342 4.987 . 0 0 "[ . 1]" 1
1650 3 6 MET ME 3 58 VAL QG 5.500 . 6.500 3.915 3.447 4.642 . 0 0 "[ . 1]" 1
1651 3 6 MET ME 3 61 VAL HA 5.500 . 6.500 4.924 4.618 5.297 . 0 0 "[ . 1]" 1
1652 3 6 MET ME 3 61 VAL QG 2.800 . 3.100 1.982 1.817 2.184 . 0 0 "[ . 1]" 1
1653 3 6 MET ME 3 61 VAL H 5.500 . 6.500 5.659 5.515 5.947 . 0 0 "[ . 1]" 1
1654 3 6 MET ME 3 62 VAL HB 5.500 . 6.500 4.317 3.385 5.325 . 0 0 "[ . 1]" 1
1655 3 6 MET ME 3 62 VAL H 5.500 . 6.500 4.430 3.930 5.153 . 0 0 "[ . 1]" 1
1656 3 6 MET ME 3 66 HIS HE1 5.500 . 6.500 5.250 4.510 5.901 . 0 0 "[ . 1]" 1
1657 3 6 MET QB 3 6 MET ME 2.800 . 3.100 2.188 2.000 2.694 . 0 0 "[ . 1]" 1
1658 3 6 MET ME 3 75 PRO HA 5.500 . 6.500 2.610 2.178 3.258 . 0 0 "[ . 1]" 1
1659 3 6 MET ME 3 76 LYS HA 3.500 . 4.200 3.576 2.887 4.237 0.037 8 0 "[ . 1]" 1
1660 3 6 MET ME 3 76 LYS H 4.500 . 5.250 2.372 1.953 2.998 . 0 0 "[ . 1]" 1
1661 3 6 MET ME 3 8 ILE MD 3.500 . 4.200 2.595 1.846 3.534 . 0 0 "[ . 1]" 1
1662 3 6 MET QG 3 50 LEU QD 5.500 . 6.500 3.834 2.676 5.224 . 0 0 "[ . 1]" 1
1663 3 6 MET QG 3 52 PHE QD 4.500 . 5.250 3.314 2.266 5.334 0.084 4 0 "[ . 1]" 1
1664 3 6 MET QG 3 52 PHE QE 3.500 . 4.200 3.324 2.257 4.241 0.041 1 0 "[ . 1]" 1
1665 3 6 MET QG 3 58 VAL QG 4.500 . 5.250 3.021 1.847 4.525 . 0 0 "[ . 1]" 1
1666 3 6 MET QG 3 77 ARG HA 4.500 . 5.250 3.627 2.164 5.299 0.049 7 0 "[ . 1]" 1
1667 3 6 MET H 3 49 PHE HA 5.500 . 6.500 4.410 3.643 5.810 . 0 0 "[ . 1]" 1
1668 3 6 MET H 3 49 PHE QD 5.500 . 6.500 4.821 4.009 5.921 . 0 0 "[ . 1]" 1
1669 3 6 MET H 3 50 LEU QB 5.500 . 6.500 3.408 3.144 3.838 . 0 0 "[ . 1]" 1
1670 3 6 MET H 3 50 LEU QD 5.500 . 6.500 4.529 4.104 4.768 . 0 0 "[ . 1]" 1
1671 3 6 MET H 3 50 LEU H 4.500 . 5.250 3.166 2.328 4.992 . 0 0 "[ . 1]" 1
1672 3 6 MET H 3 51 SER HA 4.500 . 5.250 3.483 2.943 3.865 . 0 0 "[ . 1]" 1
1673 3 6 MET H 3 52 PHE H 5.500 . 6.500 3.839 2.838 4.991 . 0 0 "[ . 1]" 1
1674 3 6 MET H 3 6 MET ME 5.500 . 6.500 4.928 4.623 5.363 . 0 0 "[ . 1]" 1
1675 3 6 MET H 3 78 ALA MB 5.500 . 6.500 4.380 3.880 4.823 . 0 0 "[ . 1]" 1
1676 3 6 MET H 3 78 ALA H 5.500 . 6.500 4.652 4.398 4.816 . 0 0 "[ . 1]" 1
1677 3 6 MET H 3 8 ILE MD 5.500 . 6.500 5.511 4.936 6.185 . 0 0 "[ . 1]" 1
1678 3 7 PHE HA 3 49 PHE HA 3.500 . 4.200 2.958 2.706 3.180 . 0 0 "[ . 1]" 1
1679 3 7 PHE HA 3 49 PHE QD 3.500 . 4.200 3.714 3.229 4.097 . 0 0 "[ . 1]" 1
1680 3 7 PHE HA 3 49 PHE QE 4.500 . 5.250 4.412 3.851 4.859 . 0 0 "[ . 1]" 1
1681 3 7 PHE HA 3 50 LEU H 5.500 . 6.500 3.840 3.527 4.206 . 0 0 "[ . 1]" 1
1682 3 7 PHE HA 3 7 PHE QD 3.500 . 4.200 2.310 2.148 2.633 . 0 0 "[ . 1]" 1
1683 3 7 PHE HA 3 8 ILE H 3.300 . 3.800 2.380 2.186 2.501 . 0 0 "[ . 1]" 1
1684 3 7 PHE QB 3 49 PHE HA 5.500 . 6.500 4.661 4.321 4.948 . 0 0 "[ . 1]" 1
1685 3 7 PHE QB 3 49 PHE QD 4.500 . 5.250 4.196 3.761 4.738 . 0 0 "[ . 1]" 1
1686 3 7 PHE QB 3 49 PHE QE 4.500 . 5.250 3.885 3.254 4.764 . 0 0 "[ . 1]" 1
1687 3 7 PHE QB 3 76 LYS H 5.500 . 6.500 3.886 2.863 4.447 . 0 0 "[ . 1]" 1
1688 3 7 PHE QB 3 78 ALA HA 5.500 . 6.500 2.364 2.203 2.658 . 0 0 "[ . 1]" 1
1689 3 7 PHE QB 3 78 ALA MB 5.500 . 6.500 3.455 3.056 3.815 . 0 0 "[ . 1]" 1
1690 3 7 PHE QB 3 79 ILE H 5.500 . 6.500 3.337 2.730 3.841 . 0 0 "[ . 1]" 1
1691 3 7 PHE QD 3 47 PHE QB 5.500 . 6.500 3.745 3.149 4.762 . 0 0 "[ . 1]" 1
1692 3 7 PHE QD 3 49 PHE HA 4.500 . 5.250 3.632 3.163 4.494 . 0 0 "[ . 1]" 1
1693 3 7 PHE QD 3 49 PHE QD 4.500 . 5.250 3.248 2.833 3.661 . 0 0 "[ . 1]" 1
1694 3 7 PHE QD 3 49 PHE QE 4.500 . 5.250 2.828 2.398 3.090 . 0 0 "[ . 1]" 1
1695 3 7 PHE QD 3 49 PHE HZ 4.500 . 5.250 3.696 3.206 4.492 . 0 0 "[ . 1]" 1
1696 3 7 PHE QD 3 75 PRO HA 5.500 . 6.500 6.118 5.473 6.581 0.081 4 0 "[ . 1]" 1
1697 3 7 PHE QD 3 76 LYS QE 4.500 . 5.250 4.820 3.830 5.331 0.081 1 0 "[ . 1]" 1
1698 3 7 PHE QD 3 76 LYS H 5.500 . 6.500 4.963 4.359 5.423 . 0 0 "[ . 1]" 1
1699 3 7 PHE QD 3 78 ALA HA 5.500 . 6.500 4.324 3.848 4.708 . 0 0 "[ . 1]" 1
1700 3 7 PHE QD 3 78 ALA MB 5.500 . 6.500 4.722 4.274 5.071 . 0 0 "[ . 1]" 1
1701 3 7 PHE QD 3 8 ILE H 4.500 . 5.250 4.089 3.515 4.355 . 0 0 "[ . 1]" 1
1702 3 7 PHE QD 3 9 GLY QA 5.500 . 6.500 4.144 3.576 4.509 . 0 0 "[ . 1]" 1
1703 3 7 PHE QE 3 47 PHE HA 5.500 . 6.500 4.801 3.758 5.944 . 0 0 "[ . 1]" 1
1704 3 7 PHE QE 3 47 PHE QB 5.500 . 6.500 2.672 2.021 3.947 . 0 0 "[ . 1]" 1
1705 3 7 PHE QE 3 47 PHE QE 5.500 . 6.500 4.696 3.441 5.885 . 0 0 "[ . 1]" 1
1706 3 7 PHE QE 3 48 GLY H 5.500 . 6.500 4.532 4.053 5.179 . 0 0 "[ . 1]" 1
1707 3 7 PHE QE 3 84 GLN QG 4.500 . 5.250 5.327 5.254 5.380 0.130 8 0 "[ . 1]" 1
1708 3 7 PHE QE 3 9 GLY QA 4.500 . 5.250 3.959 3.043 4.669 . 0 0 "[ . 1]" 1
1709 3 7 PHE H 3 76 LYS H 5.500 . 6.500 3.241 2.825 3.803 . 0 0 "[ . 1]" 1
1710 3 7 PHE H 3 77 ARG HA 4.500 . 5.250 3.332 2.877 3.879 . 0 0 "[ . 1]" 1
1711 3 7 PHE H 3 78 ALA H 4.500 . 5.250 3.778 3.429 4.142 . 0 0 "[ . 1]" 1
1712 3 7 PHE H 3 7 PHE QB 3.500 . 4.200 2.478 2.330 2.613 . 0 0 "[ . 1]" 1
1713 3 7 PHE HZ 3 47 PHE QB 4.500 . 5.500 2.906 2.394 3.993 . 0 0 "[ . 1]" 1
1714 3 8 ILE HA 3 75 PRO HA 2.800 . 3.100 2.270 2.197 2.424 . 0 0 "[ . 1]" 1
1715 3 8 ILE HA 3 75 PRO QB 4.500 . 5.250 3.660 3.392 3.896 . 0 0 "[ . 1]" 1
1716 3 8 ILE HA 3 76 LYS H 5.500 . 6.500 3.182 2.837 3.561 . 0 0 "[ . 1]" 1
1717 3 8 ILE HA 3 8 ILE MD 4.500 . 5.250 2.844 2.056 3.875 . 0 0 "[ . 1]" 1
1718 3 8 ILE HA 3 8 ILE QG 2.800 . 3.100 2.861 2.469 3.211 0.111 10 0 "[ . 1]" 1
1719 3 8 ILE HA 3 8 ILE MG 3.500 . 4.200 2.274 2.167 2.422 . 0 0 "[ . 1]" 1
1720 3 8 ILE HA 3 9 GLY H 3.300 . 3.800 2.246 2.199 2.293 . 0 0 "[ . 1]" 1
1721 3 8 ILE HB 3 48 GLY H 4.500 . 5.250 2.412 2.009 3.115 . 0 0 "[ . 1]" 1
1722 3 8 ILE HB 3 75 PRO HA 4.500 . 5.250 5.105 4.892 5.328 0.078 2 0 "[ . 1]" 1
1723 3 8 ILE HB 3 8 ILE MD 3.500 . 4.200 2.844 2.215 3.225 . 0 0 "[ . 1]" 1
1724 3 8 ILE MD 3 11 LEU QD 4.500 . 5.250 3.616 2.692 4.527 . 0 0 "[ . 1]" 1
1725 3 8 ILE MD 3 20 LEU QB 5.500 . 6.500 5.202 3.946 6.502 0.002 9 0 "[ . 1]" 1
1726 3 8 ILE MD 3 20 LEU QD 3.500 . 4.200 2.729 1.742 3.851 0.058 4 0 "[ . 1]" 1
1727 3 8 ILE MD 3 23 TYR QD 5.500 . 6.500 5.717 4.737 6.224 . 0 0 "[ . 1]" 1
1728 3 8 ILE MD 3 23 TYR QE 5.500 . 6.500 6.147 4.922 6.575 0.075 10 0 "[ . 1]" 1
1729 3 8 ILE MD 3 24 PHE QD 4.500 . 5.250 3.792 3.263 4.278 . 0 0 "[ . 1]" 1
1730 3 8 ILE MD 3 24 PHE QE 3.500 . 4.200 3.102 2.401 3.702 . 0 0 "[ . 1]" 1
1731 3 8 ILE MD 3 24 PHE HZ 4.500 . 5.250 3.176 2.448 3.694 . 0 0 "[ . 1]" 1
1732 3 8 ILE MD 3 49 PHE HA 4.500 . 5.250 4.926 4.420 5.361 0.111 1 0 "[ . 1]" 1
1733 3 8 ILE MD 3 49 PHE QB 5.500 . 6.500 5.992 5.335 6.453 . 0 0 "[ . 1]" 1
1734 3 8 ILE MD 3 49 PHE H 5.500 . 6.500 5.219 4.074 6.090 . 0 0 "[ . 1]" 1
1735 3 8 ILE MD 3 50 LEU HA 5.500 . 6.500 4.767 4.249 5.089 . 0 0 "[ . 1]" 1
1736 3 8 ILE MD 3 50 LEU QB 3.500 . 4.200 2.661 2.244 3.037 . 0 0 "[ . 1]" 1
1737 3 8 ILE MD 3 50 LEU QD 3.500 . 4.200 2.178 1.890 2.754 . 0 0 "[ . 1]" 1
1738 3 8 ILE MD 3 50 LEU HG 3.500 . 4.200 3.628 2.495 4.251 0.051 6 0 "[ . 1]" 1
1739 3 8 ILE MD 3 50 LEU H 5.500 . 6.500 3.858 3.602 4.457 . 0 0 "[ . 1]" 1
1740 3 8 ILE MD 3 51 SER H 5.500 . 6.500 6.454 6.082 6.720 0.220 10 0 "[ . 1]" 1
1741 3 8 ILE MD 3 52 PHE QE 5.500 . 6.500 4.183 3.561 5.424 . 0 0 "[ . 1]" 1
1742 3 8 ILE MD 3 68 LEU QD 5.500 . 6.500 4.996 4.399 6.098 . 0 0 "[ . 1]" 1
1743 3 8 ILE MD 3 74 ASP H 5.500 . 6.500 6.023 5.372 6.533 0.033 8 0 "[ . 1]" 1
1744 3 8 ILE MD 3 75 PRO HA 4.500 . 5.250 3.558 2.590 4.978 . 0 0 "[ . 1]" 1
1745 3 8 ILE MD 3 75 PRO QB 4.500 . 5.250 3.236 2.255 4.468 . 0 0 "[ . 1]" 1
1746 3 8 ILE MD 3 75 PRO QG 5.500 . 6.500 4.724 3.900 5.842 . 0 0 "[ . 1]" 1
1747 3 8 ILE MD 3 76 LYS H 5.500 . 6.500 4.396 3.206 5.870 . 0 0 "[ . 1]" 1
1748 3 8 ILE MD 3 9 GLY H 5.500 . 6.500 4.382 3.792 5.127 . 0 0 "[ . 1]" 1
1749 3 8 ILE QG 3 49 PHE QD 5.500 . 6.500 5.818 5.516 6.377 . 0 0 "[ . 1]" 1
1750 3 8 ILE QG 3 50 LEU QD 4.500 . 5.250 2.817 2.161 3.601 . 0 0 "[ . 1]" 1
1751 3 8 ILE MG 3 11 LEU QD 5.500 . 6.500 2.147 1.795 3.154 0.005 2 0 "[ . 1]" 1
1752 3 8 ILE MG 3 11 LEU H 5.500 . 6.500 4.221 3.692 4.678 . 0 0 "[ . 1]" 1
1753 3 8 ILE MG 3 20 LEU QD 2.800 . 3.100 2.782 2.396 3.167 0.067 3 0 "[ . 1]" 1
1754 3 8 ILE MG 3 24 PHE QD 4.500 . 5.250 4.793 4.334 5.128 . 0 0 "[ . 1]" 1
1755 3 8 ILE MG 3 24 PHE QE 3.500 . 4.200 3.323 2.841 3.841 . 0 0 "[ . 1]" 1
1756 3 8 ILE MG 3 24 PHE HZ 3.500 . 4.200 3.070 2.495 3.550 . 0 0 "[ . 1]" 1
1757 3 8 ILE MG 3 47 PHE HA 5.500 . 6.500 4.452 3.602 5.463 . 0 0 "[ . 1]" 1
1758 3 8 ILE MG 3 48 GLY H 5.500 . 6.500 3.896 3.531 4.558 . 0 0 "[ . 1]" 1
1759 3 8 ILE MG 3 50 LEU QD 4.500 . 5.250 4.036 3.493 4.646 . 0 0 "[ . 1]" 1
1760 3 8 ILE MG 3 66 HIS HD2 5.500 . 6.500 5.686 4.940 6.463 . 0 0 "[ . 1]" 1
1761 3 8 ILE MG 3 73 ILE HA 4.500 . 5.250 4.522 4.096 4.808 . 0 0 "[ . 1]" 1
1762 3 8 ILE MG 3 73 ILE HB 3.500 . 4.200 2.957 2.632 3.398 . 0 0 "[ . 1]" 1
1763 3 8 ILE MG 3 73 ILE MD 5.500 . 6.500 3.028 2.492 3.737 . 0 0 "[ . 1]" 1
1764 3 8 ILE MG 3 73 ILE H 5.500 . 6.500 6.002 5.634 6.524 0.024 2 0 "[ . 1]" 1
1765 3 8 ILE MG 3 74 ASP QB 5.500 . 6.500 4.915 4.625 5.231 . 0 0 "[ . 1]" 1
1766 3 8 ILE MG 3 74 ASP H 4.500 . 5.250 3.709 3.300 4.102 . 0 0 "[ . 1]" 1
1767 3 8 ILE MG 3 75 PRO HA 4.500 . 5.250 3.142 2.634 3.611 . 0 0 "[ . 1]" 1
1768 3 8 ILE MG 3 75 PRO QB 5.500 . 6.500 3.216 2.713 3.595 . 0 0 "[ . 1]" 1
1769 3 8 ILE MG 3 75 PRO QD 5.500 . 6.500 4.284 3.955 4.675 . 0 0 "[ . 1]" 1
1770 3 8 ILE MG 3 75 PRO QG 5.500 . 6.500 4.337 3.750 4.961 . 0 0 "[ . 1]" 1
1771 3 8 ILE MG 3 76 LYS H 5.500 . 6.500 4.681 4.215 5.162 . 0 0 "[ . 1]" 1
1772 3 8 ILE MD 3 8 ILE MG 3.500 . 4.200 1.909 1.732 2.137 0.068 1 0 "[ . 1]" 1
1773 3 8 ILE MG 3 9 GLY H 4.500 . 5.250 2.488 2.227 2.756 . 0 0 "[ . 1]" 1
1774 3 8 ILE H 3 49 PHE HA 5.500 . 6.500 3.698 3.348 3.968 . 0 0 "[ . 1]" 1
1775 3 8 ILE H 3 49 PHE QD 5.500 . 6.500 5.290 4.996 5.591 . 0 0 "[ . 1]" 1
1776 3 8 ILE H 3 8 ILE HB 3.300 . 3.800 2.790 2.592 3.019 . 0 0 "[ . 1]" 1
1777 3 8 ILE H 3 8 ILE MD 4.500 . 5.250 3.009 2.291 3.468 . 0 0 "[ . 1]" 1
1778 3 8 ILE H 3 8 ILE MG 4.500 . 5.250 3.755 3.643 3.869 . 0 0 "[ . 1]" 1
1779 3 9 GLY QA 3 10 GLY H 3.500 . 4.200 2.311 2.241 2.347 . 0 0 "[ . 1]" 1
1780 3 9 GLY QA 3 47 PHE HA 4.500 . 5.250 2.998 2.643 3.273 . 0 0 "[ . 1]" 1
1781 3 9 GLY H 3 10 GLY H 5.500 . 6.500 4.433 4.379 4.464 . 0 0 "[ . 1]" 1
1782 3 9 GLY H 3 74 ASP QB 5.500 . 6.500 3.546 3.224 3.827 . 0 0 "[ . 1]" 1
1783 3 9 GLY H 3 74 ASP H 5.500 . 6.500 3.082 2.545 3.759 . 0 0 "[ . 1]" 1
1784 3 9 GLY H 3 75 PRO HA 4.500 . 5.250 3.157 2.724 3.379 . 0 0 "[ . 1]" 1
1785 3 9 GLY H 3 76 LYS H 5.500 . 6.500 4.286 3.659 4.884 . 0 0 "[ . 1]" 1
1786 3 10 GLY QA 3 11 LEU H 5.500 . 6.500 2.834 2.719 2.893 . 0 0 "[ . 1]" 1
1787 3 10 GLY QA 3 12 ASN QB 5.500 . 6.500 6.495 6.189 6.635 0.135 8 0 "[ . 1]" 1
1788 3 10 GLY H 3 11 LEU H 4.500 . 5.250 2.654 2.445 2.928 . 0 0 "[ . 1]" 1
1789 3 10 GLY H 3 46 GLY QA 5.500 . 6.500 5.854 4.668 6.622 0.122 4 0 "[ . 1]" 1
1790 3 10 GLY H 3 47 PHE HA 5.500 . 6.500 4.855 4.041 5.304 . 0 0 "[ . 1]" 1
1791 3 10 GLY H 3 47 PHE QB 5.500 . 6.500 5.239 4.396 6.129 . 0 0 "[ . 1]" 1
1792 3 11 LEU HA 3 11 LEU QD 3.500 . 4.200 2.383 1.944 3.238 . 0 0 "[ . 1]" 1
1793 3 11 LEU HA 3 12 ASN H 3.300 . 3.800 2.440 2.250 2.537 . 0 0 "[ . 1]" 1
1794 3 11 LEU HA 3 73 ILE MG 3.500 . 4.200 2.293 2.011 2.942 . 0 0 "[ . 1]" 1
1795 3 11 LEU QB 3 46 GLY QA 5.500 . 6.500 3.238 2.473 5.108 . 0 0 "[ . 1]" 1
1796 3 11 LEU QB 3 46 GLY H 5.500 . 6.500 4.971 3.953 6.663 0.163 4 0 "[ . 1]" 1
1797 3 11 LEU QD 3 12 ASN H 4.500 . 5.250 2.658 1.947 3.877 . 0 0 "[ . 1]" 1
1798 3 11 LEU QD 3 13 TRP HD1 5.500 . 6.500 6.004 4.080 6.568 0.068 2 0 "[ . 1]" 1
1799 3 11 LEU QD 3 15 THR HA 5.500 . 6.500 5.032 4.187 5.780 . 0 0 "[ . 1]" 1
1800 3 11 LEU QD 3 15 THR HB 4.500 . 5.250 3.038 2.145 3.782 . 0 0 "[ . 1]" 1
1801 3 11 LEU QD 3 15 THR MG 3.500 . 4.200 2.992 2.099 3.661 . 0 0 "[ . 1]" 1
1802 3 11 LEU QD 3 15 THR H 5.500 . 6.500 4.730 3.702 5.673 . 0 0 "[ . 1]" 1
1803 3 11 LEU QD 3 20 LEU QD 3.500 . 4.200 2.380 1.824 2.971 . 0 0 "[ . 1]" 1
1804 3 11 LEU QD 3 20 LEU HG 5.500 . 6.500 4.203 3.201 4.760 . 0 0 "[ . 1]" 1
1805 3 11 LEU QD 3 24 PHE QE 5.500 . 6.500 4.361 3.437 5.972 . 0 0 "[ . 1]" 1
1806 3 11 LEU QD 3 46 GLY QA 5.500 . 6.500 3.183 2.622 3.805 . 0 0 "[ . 1]" 1
1807 3 11 LEU QD 3 46 GLY H 5.500 . 6.500 4.939 4.234 5.604 . 0 0 "[ . 1]" 1
1808 3 11 LEU QD 3 47 PHE HA 4.500 . 5.250 2.380 1.921 2.956 . 0 0 "[ . 1]" 1
1809 3 11 LEU QD 3 48 GLY QA 4.500 . 5.250 2.789 2.471 3.536 . 0 0 "[ . 1]" 1
1810 3 11 LEU QD 3 48 GLY H 4.500 . 5.250 2.826 2.307 3.434 . 0 0 "[ . 1]" 1
1811 3 11 LEU QD 3 49 PHE H 5.500 . 6.500 5.206 4.834 6.116 . 0 0 "[ . 1]" 1
1812 3 11 LEU QD 3 73 ILE MG 2.800 . 3.100 2.715 2.098 3.358 0.258 10 0 "[ . 1]" 1
1813 3 11 LEU HG 3 47 PHE HA 3.500 . 4.200 3.918 2.992 4.284 0.084 10 0 "[ . 1]" 1
1814 3 11 LEU H 3 11 LEU QD 4.500 . 5.250 2.920 1.727 3.590 0.073 3 0 "[ . 1]" 1
1815 3 11 LEU H 3 11 LEU HG 3.500 . 4.200 2.893 2.191 3.880 . 0 0 "[ . 1]" 1
1816 3 11 LEU H 3 12 ASN H 5.500 . 6.500 4.664 4.604 4.693 . 0 0 "[ . 1]" 1
1817 3 11 LEU H 3 46 GLY QA 5.500 . 6.500 4.500 3.346 5.455 . 0 0 "[ . 1]" 1
1818 3 11 LEU H 3 46 GLY H 5.500 . 6.500 5.528 5.026 6.236 . 0 0 "[ . 1]" 1
1819 3 11 LEU H 3 47 PHE HA 5.500 . 6.500 4.217 3.496 5.027 . 0 0 "[ . 1]" 1
1820 3 11 LEU H 3 47 PHE H 5.500 . 6.500 5.897 4.797 6.587 0.087 4 0 "[ . 1]" 1
1821 3 11 LEU H 3 73 ILE MG 5.500 . 6.500 4.396 3.844 5.013 . 0 0 "[ . 1]" 1
1822 3 12 ASN HA 3 13 TRP H 3.300 . 3.800 2.806 2.158 3.582 . 0 0 "[ . 1]" 1
1823 3 12 ASN HA 3 14 ASP H 5.500 . 6.500 4.449 3.858 5.206 . 0 0 "[ . 1]" 1
1824 3 12 ASN QB 3 13 TRP H 5.500 . 6.500 2.974 2.208 3.810 . 0 0 "[ . 1]" 1
1825 3 12 ASN QB 3 14 ASP H 5.500 . 6.500 3.171 2.434 3.449 . 0 0 "[ . 1]" 1
1826 3 12 ASN QB 3 15 THR MG 5.500 . 6.500 5.132 3.893 5.876 . 0 0 "[ . 1]" 1
1827 3 12 ASN QB 3 69 ASP QB 4.500 . 5.250 3.391 2.201 5.139 . 0 0 "[ . 1]" 1
1828 3 12 ASN QB 3 71 LYS QB 4.500 . 5.250 2.877 2.156 3.740 . 0 0 "[ . 1]" 1
1829 3 12 ASN QD 3 14 ASP QB 5.500 . 6.500 3.602 1.814 5.113 . 0 0 "[ . 1]" 1
1830 3 12 ASN QD 3 14 ASP H 5.500 . 6.500 3.417 2.849 4.671 . 0 0 "[ . 1]" 1
1831 3 12 ASN QD 3 69 ASP QB 3.500 . 4.200 3.242 2.485 4.212 0.012 3 0 "[ . 1]" 1
1832 3 12 ASN QD 3 71 LYS QB 5.500 . 6.500 3.982 2.963 5.738 . 0 0 "[ . 1]" 1
1833 3 12 ASN H 3 12 ASN QD 5.500 . 6.500 3.972 2.693 4.734 . 0 0 "[ . 1]" 1
1834 3 12 ASN H 3 13 TRP H 5.500 . 6.500 3.983 2.974 4.658 . 0 0 "[ . 1]" 1
1835 3 12 ASN H 3 15 THR MG 5.500 . 6.500 4.832 4.257 5.395 . 0 0 "[ . 1]" 1
1836 3 12 ASN H 3 15 THR H 5.500 . 6.500 6.309 5.951 6.590 0.090 10 0 "[ . 1]" 1
1837 3 12 ASN H 3 46 GLY QA 5.500 . 6.500 5.686 5.030 6.550 0.050 4 0 "[ . 1]" 1
1838 3 12 ASN H 3 71 LYS QB 5.500 . 6.500 4.442 3.822 5.048 . 0 0 "[ . 1]" 1
1839 3 12 ASN H 3 73 ILE MG 5.500 . 6.500 3.062 2.113 3.686 . 0 0 "[ . 1]" 1
1840 3 13 TRP HA 3 13 TRP HD1 3.500 . 4.200 2.289 2.195 2.580 . 0 0 "[ . 1]" 1
1841 3 13 TRP HA 3 13 TRP HE3 4.500 . 5.250 4.870 4.696 5.050 . 0 0 "[ . 1]" 1
1842 3 13 TRP HA 3 14 ASP H 5.500 . 6.500 3.362 2.921 3.577 . 0 0 "[ . 1]" 1
1843 3 13 TRP HA 3 44 SER H 5.500 . 6.500 4.872 3.907 6.288 . 0 0 "[ . 1]" 1
1844 3 13 TRP QB 3 14 ASP H 5.500 . 6.500 3.159 2.688 3.832 . 0 0 "[ . 1]" 1
1845 3 13 TRP HD1 3 14 ASP H 5.500 . 6.500 5.314 4.490 5.697 . 0 0 "[ . 1]" 1
1846 3 13 TRP HD1 3 43 ARG HA 4.500 . 5.250 3.996 3.046 4.915 . 0 0 "[ . 1]" 1
1847 3 13 TRP HD1 3 43 ARG QB 4.500 . 5.250 4.844 2.654 5.303 0.053 7 0 "[ . 1]" 1
1848 3 13 TRP HD1 3 43 ARG QG 4.500 . 5.250 4.111 2.748 5.281 0.031 4 0 "[ . 1]" 1
1849 3 13 TRP HD1 3 44 SER QB 5.500 . 6.500 5.138 4.229 6.664 0.164 6 0 "[ . 1]" 1
1850 3 13 TRP HD1 3 44 SER H 4.500 . 5.250 3.057 1.973 4.598 . 0 0 "[ . 1]" 1
1851 3 13 TRP HD1 3 46 GLY QA 4.500 . 5.250 3.910 2.894 4.698 . 0 0 "[ . 1]" 1
1852 3 13 TRP HD1 3 46 GLY H 4.500 . 5.250 4.372 3.023 5.495 0.245 6 0 "[ . 1]" 1
1853 3 13 TRP HE1 3 43 ARG QG 5.500 . 6.500 4.220 1.859 5.938 . 0 0 "[ . 1]" 1
1854 3 13 TRP HE1 3 44 SER QB 5.500 . 6.500 5.533 4.768 6.482 . 0 0 "[ . 1]" 1
1855 3 13 TRP HE1 3 45 ARG HA 5.500 . 6.500 4.056 3.114 5.072 . 0 0 "[ . 1]" 1
1856 3 13 TRP HE1 3 46 GLY QA 5.500 . 6.500 4.892 3.967 5.686 . 0 0 "[ . 1]" 1
1857 3 13 TRP QB 3 13 TRP HE3 3.500 . 4.200 2.454 2.422 2.564 . 0 0 "[ . 1]" 1
1858 3 13 TRP HE3 3 43 ARG QD 5.500 . 6.500 4.667 3.987 5.369 . 0 0 "[ . 1]" 1
1859 3 13 TRP HE3 3 43 ARG QG 5.500 . 6.500 5.190 3.875 6.163 . 0 0 "[ . 1]" 1
1860 3 13 TRP HH2 3 43 ARG QD 4.500 . 5.250 4.786 3.213 5.312 0.062 1 0 "[ . 1]" 1
1861 3 13 TRP H 3 13 TRP HE3 5.500 . 6.500 4.275 2.976 5.262 . 0 0 "[ . 1]" 1
1862 3 13 TRP H 3 14 ASP QB 5.500 . 6.500 4.483 4.025 4.955 . 0 0 "[ . 1]" 1
1863 3 13 TRP H 3 14 ASP H 4.500 . 5.250 2.551 1.768 3.310 0.032 7 0 "[ . 1]" 1
1864 3 13 TRP H 3 15 THR H 5.500 . 6.500 5.560 4.453 6.489 . 0 0 "[ . 1]" 1
1865 3 13 TRP HZ2 3 43 ARG QD 4.500 . 5.250 4.133 2.629 5.244 . 0 0 "[ . 1]" 1
1866 3 13 TRP HZ3 3 43 ARG QD 4.500 . 5.250 5.027 3.569 5.297 0.047 6 0 "[ . 1]" 1
1867 3 14 ASP HA 3 15 THR H 4.500 . 5.250 2.338 2.228 2.582 . 0 0 "[ . 1]" 1
1868 3 14 ASP HA 3 16 THR MG 5.500 . 6.500 6.320 5.819 6.540 0.040 2 0 "[ . 1]" 1
1869 3 14 ASP QB 3 15 THR H 4.500 . 5.250 3.962 3.695 4.073 . 0 0 "[ . 1]" 1
1870 3 14 ASP H 3 14 ASP QB 3.500 . 4.200 2.628 2.323 3.086 . 0 0 "[ . 1]" 1
1871 3 14 ASP H 3 15 THR H 3.500 . 4.200 3.740 2.936 4.270 0.070 5 0 "[ . 1]" 1
1872 3 15 THR HA 3 15 THR MG 3.500 . 4.200 2.243 2.144 2.334 . 0 0 "[ . 1]" 1
1873 3 15 THR HA 3 16 THR MG 4.500 . 5.250 4.838 3.167 5.337 0.087 4 0 "[ . 1]" 1
1874 3 15 THR HA 3 16 THR H 3.300 . 3.800 2.256 2.174 2.307 . 0 0 "[ . 1]" 1
1875 3 15 THR HA 3 19 ASN QB 4.500 . 5.250 4.425 3.745 5.304 0.054 10 0 "[ . 1]" 1
1876 3 15 THR HA 3 19 ASN QD 3.500 . 4.200 3.428 2.400 4.220 0.020 5 0 "[ . 1]" 1
1877 3 15 THR HA 3 68 LEU QD 5.500 . 6.500 4.038 3.077 4.803 . 0 0 "[ . 1]" 1
1878 3 15 THR HA 3 68 LEU HG 5.500 . 6.500 5.946 4.751 6.577 0.077 9 0 "[ . 1]" 1
1879 3 15 THR HB 3 68 LEU QD 5.500 . 6.500 4.377 3.749 5.481 . 0 0 "[ . 1]" 1
1880 3 15 THR MG 3 16 THR HA 5.500 . 6.500 4.079 3.795 4.662 . 0 0 "[ . 1]" 1
1881 3 15 THR MG 3 16 THR H 3.500 . 4.200 2.382 2.050 3.032 . 0 0 "[ . 1]" 1
1882 3 15 THR MG 3 17 GLU HA 5.500 . 6.500 4.491 4.247 4.998 . 0 0 "[ . 1]" 1
1883 3 15 THR MG 3 19 ASN QB 3.500 . 4.200 3.401 2.203 4.266 0.066 10 0 "[ . 1]" 1
1884 3 15 THR MG 3 19 ASN QD 4.500 . 5.250 3.099 1.726 4.677 0.074 9 0 "[ . 1]" 1
1885 3 15 THR MG 3 19 ASN H 5.500 . 6.500 5.046 4.040 6.128 . 0 0 "[ . 1]" 1
1886 3 15 THR MG 3 20 LEU HA 5.500 . 6.500 3.143 2.754 3.794 . 0 0 "[ . 1]" 1
1887 3 15 THR MG 3 20 LEU QB 3.500 . 4.200 2.433 2.140 2.991 . 0 0 "[ . 1]" 1
1888 3 15 THR MG 3 20 LEU QD 3.500 . 4.200 2.269 1.967 2.673 . 0 0 "[ . 1]" 1
1889 3 15 THR MG 3 20 LEU HG 3.500 . 4.200 3.335 2.132 4.275 0.075 5 0 "[ . 1]" 1
1890 3 15 THR MG 3 20 LEU H 3.500 . 4.200 3.280 2.545 3.948 . 0 0 "[ . 1]" 1
1891 3 15 THR MG 3 68 LEU QD 2.800 . 3.100 2.301 1.916 3.077 . 0 0 "[ . 1]" 1
1892 3 15 THR MG 3 69 ASP H 5.500 . 6.500 6.037 5.131 6.539 0.039 2 0 "[ . 1]" 1
1893 3 15 THR H 3 15 THR HB 3.300 . 3.800 2.912 2.688 3.223 . 0 0 "[ . 1]" 1
1894 3 15 THR H 3 15 THR MG 3.500 . 4.200 3.966 3.889 4.051 . 0 0 "[ . 1]" 1
1895 3 16 THR HA 3 16 THR MG 3.500 . 4.200 2.222 2.115 2.950 . 0 0 "[ . 1]" 1
1896 3 16 THR HA 3 17 GLU HA 5.500 . 6.500 4.391 4.359 4.448 . 0 0 "[ . 1]" 1
1897 3 16 THR HA 3 17 GLU H 3.300 . 3.800 2.480 2.261 2.573 . 0 0 "[ . 1]" 1
1898 3 16 THR HA 3 18 ASP H 5.500 . 6.500 5.146 4.774 5.447 . 0 0 "[ . 1]" 1
1899 3 16 THR HA 3 35 ILE MD 3.500 . 4.200 3.680 2.379 4.282 0.082 9 0 "[ . 1]" 1
1900 3 16 THR HB 3 17 GLU H 4.500 . 5.250 2.959 2.593 3.819 . 0 0 "[ . 1]" 1
1901 3 16 THR HB 3 18 ASP H 3.500 . 4.200 3.834 3.524 4.286 0.086 8 0 "[ . 1]" 1
1902 3 16 THR MG 3 18 ASP H 3.500 . 4.200 3.942 3.353 4.341 0.141 8 0 "[ . 1]" 1
1903 3 16 THR MG 3 19 ASN QB 5.500 . 6.500 3.832 2.131 4.587 . 0 0 "[ . 1]" 1
1904 3 16 THR MG 3 19 ASN QD 3.500 . 4.200 3.838 3.248 4.273 0.073 1 0 "[ . 1]" 1
1905 3 16 THR MG 3 19 ASN H 4.500 . 5.250 3.931 2.857 4.581 . 0 0 "[ . 1]" 1
1906 3 16 THR H 3 16 THR MG 3.500 . 4.200 3.485 1.803 3.918 . 0 0 "[ . 1]" 1
1907 3 16 THR H 3 17 GLU H 5.500 . 6.500 4.572 4.451 4.664 . 0 0 "[ . 1]" 1
1908 3 16 THR H 3 19 ASN QB 4.500 . 5.250 2.819 2.195 4.207 . 0 0 "[ . 1]" 1
1909 3 16 THR H 3 19 ASN QD 5.500 . 6.500 2.465 1.724 3.498 0.076 10 0 "[ . 1]" 1
1910 3 17 GLU HA 3 18 ASP H 3.300 . 3.800 3.592 3.576 3.608 . 0 0 "[ . 1]" 1
1911 3 17 GLU HA 3 20 LEU QB 3.500 . 4.200 2.570 2.142 2.857 . 0 0 "[ . 1]" 1
1912 3 17 GLU HA 3 20 LEU QD 4.500 . 5.250 3.313 2.813 3.563 . 0 0 "[ . 1]" 1
1913 3 17 GLU HA 3 20 LEU HG 4.500 . 5.250 5.186 4.644 5.408 0.158 9 0 "[ . 1]" 1
1914 3 17 GLU HA 3 20 LEU H 4.500 . 5.250 3.452 3.217 3.731 . 0 0 "[ . 1]" 1
1915 3 17 GLU HA 3 33 LEU QD 3.500 . 4.200 2.679 2.158 3.146 . 0 0 "[ . 1]" 1
1916 3 17 GLU HA 3 35 ILE HB 3.500 . 4.200 3.752 2.671 4.222 0.022 3 0 "[ . 1]" 1
1917 3 17 GLU HA 3 35 ILE MD 3.500 . 4.200 2.947 2.181 3.692 . 0 0 "[ . 1]" 1
1918 3 17 GLU HA 3 35 ILE QG 3.500 . 4.200 4.228 3.931 4.366 0.166 7 0 "[ . 1]" 1
1919 3 17 GLU QB 3 18 ASP H 4.500 . 5.250 2.086 1.793 2.409 0.007 5 0 "[ . 1]" 1
1920 3 17 GLU QB 3 33 LEU QD 3.500 . 4.200 2.567 1.831 3.711 . 0 0 "[ . 1]" 1
1921 3 17 GLU QB 3 35 ILE MD 5.500 . 6.500 4.078 3.297 4.638 . 0 0 "[ . 1]" 1
1922 3 17 GLU QB 3 35 ILE QG 5.500 . 6.500 4.789 4.195 5.405 . 0 0 "[ . 1]" 1
1923 3 17 GLU QB 3 35 ILE MG 5.500 . 6.500 2.866 1.974 5.186 . 0 0 "[ . 1]" 1
1924 3 17 GLU QG 3 18 ASP H 4.500 . 5.250 3.152 1.860 3.931 . 0 0 "[ . 1]" 1
1925 3 17 GLU QG 3 33 LEU QD 3.500 . 4.200 3.112 1.940 4.198 . 0 0 "[ . 1]" 1
1926 3 17 GLU QG 3 35 ILE MD 4.500 . 5.250 3.754 2.140 5.289 0.039 3 0 "[ . 1]" 1
1927 3 17 GLU QG 3 35 ILE QG 4.500 . 5.250 4.403 3.252 5.276 0.026 3 0 "[ . 1]" 1
1928 3 17 GLU QG 3 35 ILE MG 4.500 . 5.250 2.567 1.954 3.471 . 0 0 "[ . 1]" 1
1929 3 17 GLU QG 3 35 ILE H 4.500 . 5.250 3.927 2.945 5.263 0.013 3 0 "[ . 1]" 1
1930 3 17 GLU H 3 17 GLU QG 4.500 . 5.250 2.373 1.681 3.984 0.119 4 0 "[ . 1]" 1
1931 3 17 GLU H 3 18 ASP H 4.500 . 5.250 3.002 2.858 3.401 . 0 0 "[ . 1]" 1
1932 3 17 GLU H 3 19 ASN H 5.500 . 6.500 4.118 3.789 4.782 . 0 0 "[ . 1]" 1
1933 3 17 GLU H 3 20 LEU H 5.500 . 6.500 4.486 4.254 4.746 . 0 0 "[ . 1]" 1
1934 3 17 GLU H 3 33 LEU QD 5.500 . 6.500 4.653 4.232 5.212 . 0 0 "[ . 1]" 1
1935 3 17 GLU H 3 35 ILE MD 4.500 . 5.250 3.982 2.807 4.797 . 0 0 "[ . 1]" 1
1936 3 17 GLU H 3 35 ILE QG 5.500 . 6.500 5.035 4.258 5.899 . 0 0 "[ . 1]" 1
1937 3 18 ASP HA 3 19 ASN H 3.300 . 3.800 3.523 3.488 3.559 . 0 0 "[ . 1]" 1
1938 3 18 ASP HA 3 20 LEU H 5.500 . 6.500 4.691 4.286 5.021 . 0 0 "[ . 1]" 1
1939 3 18 ASP HA 3 21 ARG HE 4.500 . 5.250 3.502 2.444 5.098 . 0 0 "[ . 1]" 1
1940 3 18 ASP HA 3 21 ARG H 4.500 . 5.250 3.620 3.110 3.985 . 0 0 "[ . 1]" 1
1941 3 18 ASP HA 3 22 GLU H 4.500 . 5.250 3.640 3.399 3.783 . 0 0 "[ . 1]" 1
1942 3 18 ASP HA 3 33 LEU QD 5.500 . 6.500 4.160 3.217 5.057 . 0 0 "[ . 1]" 1
1943 3 18 ASP QB 3 19 ASN H 3.500 . 4.200 2.450 1.900 2.706 . 0 0 "[ . 1]" 1
1944 3 18 ASP H 3 18 ASP QB 3.500 . 4.200 2.371 2.260 2.564 . 0 0 "[ . 1]" 1
1945 3 18 ASP H 3 19 ASN H 3.300 . 3.800 3.000 2.788 3.407 . 0 0 "[ . 1]" 1
1946 3 18 ASP H 3 33 LEU QD 5.500 . 6.500 4.324 3.704 5.128 . 0 0 "[ . 1]" 1
1947 3 19 ASN HA 3 20 LEU H 4.500 . 5.250 3.573 3.534 3.590 . 0 0 "[ . 1]" 1
1948 3 19 ASN HA 3 21 ARG H 4.500 . 5.250 4.499 4.264 4.885 . 0 0 "[ . 1]" 1
1949 3 19 ASN HA 3 22 GLU QB 2.800 . 3.100 2.541 2.223 3.005 . 0 0 "[ . 1]" 1
1950 3 19 ASN HA 3 22 GLU H 3.500 . 4.200 3.764 3.578 3.898 . 0 0 "[ . 1]" 1
1951 3 19 ASN HA 3 23 TYR H 4.500 . 5.250 4.150 4.006 4.214 . 0 0 "[ . 1]" 1
1952 3 19 ASN QB 3 20 LEU H 4.500 . 5.250 2.546 2.233 3.330 . 0 0 "[ . 1]" 1
1953 3 19 ASN QB 3 68 LEU QD 4.500 . 5.250 4.034 3.061 5.261 0.011 9 0 "[ . 1]" 1
1954 3 19 ASN QD 3 68 LEU QD 5.500 . 6.500 3.766 1.835 5.532 . 0 0 "[ . 1]" 1
1955 3 19 ASN H 3 19 ASN QB 3.500 . 4.200 2.321 2.107 2.447 . 0 0 "[ . 1]" 1
1956 3 19 ASN H 3 20 LEU H 3.300 . 3.800 2.734 2.402 3.127 . 0 0 "[ . 1]" 1
1957 3 19 ASN H 3 21 ARG H 5.500 . 6.500 4.154 3.898 4.761 . 0 0 "[ . 1]" 1
1958 3 20 LEU HA 3 20 LEU QD 3.500 . 4.200 2.376 2.083 2.959 . 0 0 "[ . 1]" 1
1959 3 20 LEU HA 3 21 ARG H 3.300 . 3.800 3.584 3.554 3.623 . 0 0 "[ . 1]" 1
1960 3 20 LEU HA 3 24 PHE QD 3.500 . 4.200 3.659 3.367 3.987 . 0 0 "[ . 1]" 1
1961 3 20 LEU HA 3 24 PHE QE 4.500 . 5.250 4.539 4.291 4.797 . 0 0 "[ . 1]" 1
1962 3 20 LEU HA 3 24 PHE H 4.500 . 5.250 4.304 4.109 4.434 . 0 0 "[ . 1]" 1
1963 3 20 LEU HA 3 50 LEU QD 5.500 . 6.500 5.035 4.571 5.486 . 0 0 "[ . 1]" 1
1964 3 20 LEU HA 3 68 LEU QD 3.500 . 4.200 2.928 2.301 3.404 . 0 0 "[ . 1]" 1
1965 3 20 LEU QB 3 21 ARG H 3.500 . 4.200 2.496 2.293 2.747 . 0 0 "[ . 1]" 1
1966 3 20 LEU QB 3 24 PHE QD 5.500 . 6.500 4.418 4.203 4.661 . 0 0 "[ . 1]" 1
1967 3 20 LEU QB 3 33 LEU QD 3.500 . 4.200 2.600 1.948 3.510 . 0 0 "[ . 1]" 1
1968 3 20 LEU QB 3 35 ILE MD 5.500 . 6.500 2.771 1.945 4.177 . 0 0 "[ . 1]" 1
1969 3 20 LEU QB 3 50 LEU QD 5.500 . 6.500 3.854 3.003 4.726 . 0 0 "[ . 1]" 1
1970 3 20 LEU QB 3 68 LEU QD 5.500 . 6.500 3.998 3.543 4.711 . 0 0 "[ . 1]" 1
1971 3 20 LEU QD 3 21 ARG H 4.500 . 5.250 3.678 3.266 4.034 . 0 0 "[ . 1]" 1
1972 3 20 LEU QD 3 23 TYR QB 5.500 . 6.500 3.488 2.759 3.852 . 0 0 "[ . 1]" 1
1973 3 20 LEU QD 3 23 TYR QD 5.500 . 6.500 3.980 3.024 4.525 . 0 0 "[ . 1]" 1
1974 3 20 LEU QD 3 23 TYR H 5.500 . 6.500 4.623 4.386 4.933 . 0 0 "[ . 1]" 1
1975 3 20 LEU QD 3 24 PHE QD 3.500 . 4.200 2.493 1.986 3.141 . 0 0 "[ . 1]" 1
1976 3 20 LEU QD 3 24 PHE QE 3.500 . 4.200 2.519 2.145 3.147 . 0 0 "[ . 1]" 1
1977 3 20 LEU QD 3 24 PHE HZ 3.500 . 4.200 4.098 3.894 4.241 0.041 5 0 "[ . 1]" 1
1978 3 20 LEU QD 3 34 LYS HA 5.500 . 6.500 6.093 5.618 6.497 . 0 0 "[ . 1]" 1
1979 3 20 LEU QD 3 50 LEU QD 4.500 . 5.250 2.297 1.795 2.971 0.005 10 0 "[ . 1]" 1
1980 3 20 LEU HG 3 23 TYR QD 5.500 . 6.500 5.082 3.851 5.932 . 0 0 "[ . 1]" 1
1981 3 20 LEU HG 3 24 PHE QD 3.500 . 4.200 3.246 2.274 4.300 0.100 2 0 "[ . 1]" 1
1982 3 20 LEU HG 3 24 PHE QE 4.500 . 5.250 3.690 2.679 4.470 . 0 0 "[ . 1]" 1
1983 3 20 LEU HG 3 50 LEU QD 4.500 . 5.250 3.801 2.848 5.174 . 0 0 "[ . 1]" 1
1984 3 20 LEU HG 3 68 LEU QD 5.500 . 6.500 3.627 2.815 4.203 . 0 0 "[ . 1]" 1
1985 3 20 LEU H 3 20 LEU QB 3.500 . 4.200 2.198 2.062 2.292 . 0 0 "[ . 1]" 1
1986 3 20 LEU H 3 20 LEU QD 4.500 . 5.250 3.679 3.497 3.785 . 0 0 "[ . 1]" 1
1987 3 20 LEU H 3 20 LEU HG 4.500 . 5.250 4.260 3.828 4.518 . 0 0 "[ . 1]" 1
1988 3 20 LEU H 3 21 ARG H 3.300 . 3.800 2.853 2.750 3.003 . 0 0 "[ . 1]" 1
1989 3 20 LEU H 3 33 LEU QD 4.500 . 5.250 4.355 3.888 5.031 . 0 0 "[ . 1]" 1
1990 3 20 LEU H 3 35 ILE QG 5.500 . 6.500 6.073 5.521 6.567 0.067 10 0 "[ . 1]" 1
1991 3 20 LEU H 3 68 LEU QD 4.500 . 5.250 4.545 3.942 5.068 . 0 0 "[ . 1]" 1
1992 3 21 ARG HA 3 21 ARG QD 3.500 . 4.200 4.037 3.595 4.376 0.176 3 0 "[ . 1]" 1
1993 3 21 ARG HA 3 21 ARG HE 5.500 . 6.500 4.921 4.620 5.257 . 0 0 "[ . 1]" 1
1994 3 21 ARG HA 3 22 GLU H 4.500 . 5.250 3.586 3.571 3.597 . 0 0 "[ . 1]" 1
1995 3 21 ARG HA 3 24 PHE QD 4.500 . 5.250 3.887 3.349 4.256 . 0 0 "[ . 1]" 1
1996 3 21 ARG HA 3 24 PHE H 4.500 . 5.250 2.908 2.579 3.315 . 0 0 "[ . 1]" 1
1997 3 21 ARG HA 3 25 GLY H 4.500 . 5.250 3.683 3.076 4.305 . 0 0 "[ . 1]" 1
1998 3 21 ARG HA 3 30 VAL QG 3.500 . 4.200 3.524 3.090 3.873 . 0 0 "[ . 1]" 1
1999 3 21 ARG HA 3 33 LEU QD 3.500 . 4.200 3.283 2.787 4.235 0.035 4 0 "[ . 1]" 1
2000 3 21 ARG HA 3 50 LEU QD 5.500 . 6.500 3.125 2.693 3.694 . 0 0 "[ . 1]" 1
2001 3 21 ARG QB 3 21 ARG QD 2.800 . 3.100 2.296 2.138 2.498 . 0 0 "[ . 1]" 1
2002 3 21 ARG QB 3 22 GLU H 3.500 . 4.200 2.451 2.059 3.296 . 0 0 "[ . 1]" 1
2003 3 21 ARG QB 3 23 TYR H 5.500 . 6.500 4.370 4.124 4.641 . 0 0 "[ . 1]" 1
2004 3 21 ARG QB 3 33 LEU QD 3.500 . 4.200 2.262 1.928 2.910 . 0 0 "[ . 1]" 1
2005 3 21 ARG QB 3 50 LEU QD 5.500 . 6.500 3.512 2.708 4.348 . 0 0 "[ . 1]" 1
2006 3 21 ARG QD 3 22 GLU HA 4.500 . 5.250 5.249 5.019 5.362 0.112 4 0 "[ . 1]" 1
2007 3 21 ARG QD 3 22 GLU H 5.500 . 6.500 4.354 3.621 4.745 . 0 0 "[ . 1]" 1
2008 3 21 ARG QD 3 30 VAL QG 5.500 . 6.500 2.336 1.810 3.409 . 0 0 "[ . 1]" 1
2009 3 21 ARG QD 3 33 LEU QB 3.500 . 4.200 3.917 3.290 4.500 0.300 4 0 "[ . 1]" 1
2010 3 21 ARG QD 3 33 LEU QD 5.500 . 6.500 2.835 1.930 4.346 . 0 0 "[ . 1]" 1
2011 3 21 ARG QB 3 21 ARG HE 4.500 . 5.250 2.371 1.839 2.788 . 0 0 "[ . 1]" 1
2012 3 21 ARG HE 3 33 LEU QB 4.500 . 5.250 5.074 3.315 5.300 0.050 9 0 "[ . 1]" 1
2013 3 21 ARG HE 3 33 LEU QD 4.500 . 5.250 3.425 2.145 5.287 0.037 2 0 "[ . 1]" 1
2014 3 21 ARG QG 3 22 GLU HA 3.500 . 4.200 3.339 3.162 3.471 . 0 0 "[ . 1]" 1
2015 3 21 ARG QG 3 22 GLU H 4.500 . 5.250 2.675 1.707 3.220 0.093 3 0 "[ . 1]" 1
2016 3 21 ARG H 3 21 ARG QB 2.800 . 3.100 2.379 2.246 2.694 . 0 0 "[ . 1]" 1
2017 3 21 ARG H 3 21 ARG QD 5.500 . 6.500 4.408 3.213 4.862 . 0 0 "[ . 1]" 1
2018 3 21 ARG H 3 21 ARG QG 3.500 . 4.200 3.372 1.808 3.981 . 0 0 "[ . 1]" 1
2019 3 21 ARG H 3 22 GLU H 3.300 . 3.800 2.798 2.731 2.863 . 0 0 "[ . 1]" 1
2020 3 21 ARG H 3 23 TYR H 5.500 . 6.500 3.810 3.620 3.954 . 0 0 "[ . 1]" 1
2021 3 21 ARG H 3 30 VAL QG 5.500 . 6.500 5.108 4.320 5.436 . 0 0 "[ . 1]" 1
2022 3 21 ARG H 3 33 LEU QD 3.500 . 4.200 3.054 2.481 3.578 . 0 0 "[ . 1]" 1
2023 3 21 ARG H 3 50 LEU QD 5.500 . 6.500 4.495 3.721 5.216 . 0 0 "[ . 1]" 1
2024 3 22 GLU HA 3 22 GLU QG 2.800 . 3.100 2.618 2.364 2.902 . 0 0 "[ . 1]" 1
2025 3 22 GLU HA 3 25 GLY H 5.500 . 6.500 4.020 3.574 4.332 . 0 0 "[ . 1]" 1
2026 3 22 GLU QB 3 23 TYR QB 4.500 . 5.250 3.982 3.815 4.108 . 0 0 "[ . 1]" 1
2027 3 22 GLU QB 3 23 TYR QD 5.500 . 6.500 5.534 5.356 5.659 . 0 0 "[ . 1]" 1
2028 3 22 GLU QB 3 23 TYR H 3.500 . 4.200 2.798 2.710 2.945 . 0 0 "[ . 1]" 1
2029 3 22 GLU QG 3 23 TYR H 5.500 . 6.500 4.007 3.805 4.302 . 0 0 "[ . 1]" 1
2030 3 22 GLU H 3 22 GLU QB 3.500 . 4.200 2.393 2.278 2.651 . 0 0 "[ . 1]" 1
2031 3 22 GLU H 3 22 GLU QG 4.500 . 5.250 3.255 1.877 4.124 . 0 0 "[ . 1]" 1
2032 3 22 GLU H 3 23 TYR QD 5.500 . 6.500 6.565 6.506 6.636 0.136 10 0 "[ . 1]" 1
2033 3 22 GLU H 3 23 TYR H 3.300 . 3.800 2.865 2.765 2.945 . 0 0 "[ . 1]" 1
2034 3 22 GLU H 3 24 PHE H 4.500 . 5.250 4.419 4.141 4.643 . 0 0 "[ . 1]" 1
2035 3 23 TYR QB 3 23 TYR QD 2.800 . 3.100 2.164 2.144 2.229 . 0 0 "[ . 1]" 1
2036 3 23 TYR QB 3 24 PHE QD 3.500 . 4.200 2.806 2.370 3.331 . 0 0 "[ . 1]" 1
2037 3 23 TYR QB 3 24 PHE QE 5.500 . 6.500 4.073 3.705 4.420 . 0 0 "[ . 1]" 1
2038 3 23 TYR QB 3 24 PHE H 3.500 . 4.200 2.479 2.213 2.797 . 0 0 "[ . 1]" 1
2039 3 23 TYR QB 3 68 LEU QD 3.500 . 4.200 2.436 1.903 3.150 . 0 0 "[ . 1]" 1
2040 3 23 TYR QD 3 24 PHE HA 3.500 . 4.200 2.987 2.517 4.274 0.074 10 0 "[ . 1]" 1
2041 3 23 TYR QD 3 24 PHE QD 3.500 . 4.200 2.640 2.277 3.255 . 0 0 "[ . 1]" 1
2042 3 23 TYR QD 3 24 PHE QE 3.500 . 4.200 3.219 2.313 3.734 . 0 0 "[ . 1]" 1
2043 3 23 TYR QD 3 24 PHE H 3.500 . 4.200 3.183 2.826 3.930 . 0 0 "[ . 1]" 1
2044 3 23 TYR QD 3 24 PHE HZ 4.500 . 5.250 4.552 4.261 4.792 . 0 0 "[ . 1]" 1
2045 3 23 TYR QD 3 25 GLY H 5.500 . 6.500 5.044 4.611 5.834 . 0 0 "[ . 1]" 1
2046 3 23 TYR QD 3 27 TYR QD 5.500 . 6.500 5.543 5.209 5.879 . 0 0 "[ . 1]" 1
2047 3 23 TYR QD 3 27 TYR QE 3.500 . 4.200 4.325 4.221 4.471 0.271 10 0 "[ . 1]" 1
2048 3 23 TYR QD 3 50 LEU QD 5.500 . 6.500 5.050 4.639 5.481 . 0 0 "[ . 1]" 1
2049 3 23 TYR QD 3 66 HIS HE1 5.500 . 6.500 6.288 5.391 6.533 0.033 8 0 "[ . 1]" 1
2050 3 23 TYR QD 3 67 ILE H 5.500 . 6.500 5.608 4.931 6.041 . 0 0 "[ . 1]" 1
2051 3 23 TYR QD 3 68 LEU HA 5.500 . 6.500 3.478 2.606 4.657 . 0 0 "[ . 1]" 1
2052 3 23 TYR QD 3 68 LEU QB 5.500 . 6.500 4.350 4.066 5.095 . 0 0 "[ . 1]" 1
2053 3 23 TYR QD 3 68 LEU QD 3.500 . 4.200 2.371 1.963 2.999 . 0 0 "[ . 1]" 1
2054 3 23 TYR QD 3 73 ILE MD 5.500 . 6.500 4.443 3.948 4.817 . 0 0 "[ . 1]" 1
2055 3 23 TYR QE 3 24 PHE HA 4.500 . 5.250 4.175 3.794 4.947 . 0 0 "[ . 1]" 1
2056 3 23 TYR QE 3 24 PHE QD 3.500 . 4.200 4.199 4.092 4.298 0.098 9 0 "[ . 1]" 1
2057 3 23 TYR QE 3 24 PHE QE 3.500 . 4.200 3.653 2.926 3.984 . 0 0 "[ . 1]" 1
2058 3 23 TYR QE 3 24 PHE H 5.500 . 6.500 5.325 5.120 5.643 . 0 0 "[ . 1]" 1
2059 3 23 TYR QE 3 24 PHE HZ 4.500 . 5.250 4.072 3.235 4.481 . 0 0 "[ . 1]" 1
2060 3 23 TYR QE 3 50 LEU QD 5.500 . 6.500 6.111 5.435 6.680 0.180 3 0 "[ . 1]" 1
2061 3 23 TYR QE 3 66 HIS HA 4.500 . 5.250 4.046 2.969 4.965 . 0 0 "[ . 1]" 1
2062 3 23 TYR QE 3 66 HIS QB 2.800 . 3.100 2.306 2.020 2.781 . 0 0 "[ . 1]" 1
2063 3 23 TYR QE 3 66 HIS HE1 4.500 . 5.250 5.034 4.267 5.365 0.115 10 0 "[ . 1]" 1
2064 3 23 TYR QE 3 67 ILE HB 5.500 . 6.500 5.361 4.302 6.523 0.023 10 0 "[ . 1]" 1
2065 3 23 TYR QE 3 67 ILE H 5.500 . 6.500 3.689 3.049 4.015 . 0 0 "[ . 1]" 1
2066 3 23 TYR QE 3 68 LEU HA 3.500 . 4.200 2.909 2.234 4.300 0.100 10 0 "[ . 1]" 1
2067 3 23 TYR QE 3 68 LEU QB 3.500 . 4.200 4.250 4.184 4.335 0.135 2 0 "[ . 1]" 1
2068 3 23 TYR QE 3 68 LEU QD 3.500 . 4.200 2.906 2.447 3.719 . 0 0 "[ . 1]" 1
2069 3 23 TYR QE 3 73 ILE MD 3.500 . 4.200 3.503 2.394 4.045 . 0 0 "[ . 1]" 1
2070 3 23 TYR H 3 23 TYR QB 3.500 . 4.200 2.310 2.226 2.358 . 0 0 "[ . 1]" 1
2071 3 23 TYR H 3 24 PHE H 3.300 . 3.800 2.491 2.204 2.677 . 0 0 "[ . 1]" 1
2072 3 23 TYR H 3 25 GLY H 5.500 . 6.500 4.108 3.659 4.499 . 0 0 "[ . 1]" 1
2073 3 23 TYR H 3 68 LEU MD2 5.500 . 6.500 5.449 4.776 5.896 . 0 0 "[ . 1]" 1
2074 3 24 PHE HA 3 24 PHE QD 2.800 . 3.100 2.892 2.685 3.025 . 0 0 "[ . 1]" 1
2075 3 24 PHE HA 3 24 PHE QE 4.500 . 5.250 4.410 4.323 4.496 . 0 0 "[ . 1]" 1
2076 3 24 PHE HA 3 25 GLY H 5.500 . 6.500 3.419 3.154 3.695 . 0 0 "[ . 1]" 1
2077 3 24 PHE HA 3 26 LYS H 4.500 . 5.250 3.271 3.083 4.387 . 0 0 "[ . 1]" 1
2078 3 24 PHE HA 3 27 TYR QD 2.800 . 3.100 3.094 2.584 3.220 0.120 2 0 "[ . 1]" 1
2079 3 24 PHE HA 3 27 TYR QE 2.800 . 3.100 2.908 2.273 3.268 0.168 6 0 "[ . 1]" 1
2080 3 24 PHE HA 3 27 TYR H 5.500 . 6.500 4.535 4.068 5.058 . 0 0 "[ . 1]" 1
2081 3 24 PHE HA 3 50 LEU QD 5.500 . 6.500 4.456 4.104 5.011 . 0 0 "[ . 1]" 1
2082 3 24 PHE HA 3 61 VAL QG 5.500 . 6.500 4.343 3.837 4.782 . 0 0 "[ . 1]" 1
2083 3 24 PHE HA 3 66 HIS HE1 5.500 . 6.500 5.560 4.691 6.000 . 0 0 "[ . 1]" 1
2084 3 24 PHE QB 3 24 PHE QD 2.800 . 3.100 2.152 2.147 2.156 . 0 0 "[ . 1]" 1
2085 3 24 PHE QB 3 25 GLY H 5.500 . 6.500 3.086 2.279 3.645 . 0 0 "[ . 1]" 1
2086 3 24 PHE QB 3 30 VAL QG 3.500 . 4.200 3.594 2.851 4.039 . 0 0 "[ . 1]" 1
2087 3 24 PHE QB 3 50 LEU QD 4.500 . 5.250 2.287 2.020 2.701 . 0 0 "[ . 1]" 1
2088 3 24 PHE QB 3 52 PHE QD 4.500 . 5.250 5.140 4.976 5.288 0.038 5 0 "[ . 1]" 1
2089 3 24 PHE QB 3 52 PHE HZ 3.500 . 4.200 2.344 2.223 3.037 . 0 0 "[ . 1]" 1
2090 3 24 PHE QB 3 61 VAL QG 5.500 . 6.500 3.548 2.907 3.903 . 0 0 "[ . 1]" 1
2091 3 24 PHE QD 3 25 GLY H 5.500 . 6.500 4.672 4.198 4.951 . 0 0 "[ . 1]" 1
2092 3 24 PHE QD 3 27 TYR QE 3.500 . 4.200 3.839 2.929 4.281 0.081 8 0 "[ . 1]" 1
2093 3 24 PHE QD 3 27 TYR H 5.500 . 6.500 5.587 5.299 6.081 . 0 0 "[ . 1]" 1
2094 3 24 PHE QD 3 50 LEU QD 3.500 . 4.200 2.904 2.464 3.500 . 0 0 "[ . 1]" 1
2095 3 24 PHE QD 3 52 PHE QE 3.500 . 4.200 3.651 3.071 4.219 0.019 6 0 "[ . 1]" 1
2096 3 24 PHE QD 3 61 VAL QG 3.500 . 4.200 2.254 2.050 2.485 . 0 0 "[ . 1]" 1
2097 3 24 PHE QD 3 66 HIS HE1 4.500 . 5.250 4.045 3.429 4.738 . 0 0 "[ . 1]" 1
2098 3 24 PHE QD 3 73 ILE MD 4.500 . 5.250 4.750 4.474 4.997 . 0 0 "[ . 1]" 1
2099 3 24 PHE QE 3 50 LEU QD 5.500 . 6.500 3.664 3.112 4.452 . 0 0 "[ . 1]" 1
2100 3 24 PHE QE 3 52 PHE HZ 4.500 . 5.250 4.683 4.435 4.947 . 0 0 "[ . 1]" 1
2101 3 24 PHE QE 3 61 VAL HA 3.500 . 4.200 4.063 3.173 4.297 0.097 9 0 "[ . 1]" 1
2102 3 24 PHE QE 3 61 VAL QG 5.500 . 6.500 2.118 1.956 2.384 . 0 0 "[ . 1]" 1
2103 3 24 PHE QE 3 62 VAL HA 5.500 . 6.500 5.687 5.345 5.834 . 0 0 "[ . 1]" 1
2104 3 24 PHE QE 3 66 HIS HE1 4.500 . 5.250 3.124 2.436 4.059 . 0 0 "[ . 1]" 1
2105 3 24 PHE QE 3 68 LEU QD 2.800 . 3.100 3.083 2.608 3.195 0.095 8 0 "[ . 1]" 1
2106 3 24 PHE QE 3 73 ILE MD 3.500 . 4.200 3.006 2.611 3.354 . 0 0 "[ . 1]" 1
2107 3 24 PHE QE 3 75 PRO HA 4.500 . 5.250 5.143 4.572 5.301 0.051 4 0 "[ . 1]" 1
2108 3 24 PHE QE 3 75 PRO QB 4.500 . 5.250 3.052 2.660 3.227 . 0 0 "[ . 1]" 1
2109 3 24 PHE QE 3 75 PRO QD 4.500 . 5.250 5.152 4.865 5.314 0.064 4 0 "[ . 1]" 1
2110 3 24 PHE QE 3 75 PRO QG 3.500 . 4.200 3.610 3.181 3.882 . 0 0 "[ . 1]" 1
2111 3 24 PHE H 3 24 PHE QB 3.500 . 4.200 2.229 2.177 2.332 . 0 0 "[ . 1]" 1
2112 3 24 PHE H 3 24 PHE QD 3.500 . 4.200 2.637 2.369 2.958 . 0 0 "[ . 1]" 1
2113 3 24 PHE H 3 25 GLY H 3.300 . 3.800 2.815 2.641 2.938 . 0 0 "[ . 1]" 1
2114 3 24 PHE H 3 26 LYS H 5.500 . 6.500 4.647 4.109 5.401 . 0 0 "[ . 1]" 1
2115 3 24 PHE H 3 27 TYR QE 5.500 . 6.500 5.640 5.000 5.925 . 0 0 "[ . 1]" 1
2116 3 24 PHE H 3 50 LEU QD 5.500 . 6.500 4.159 3.916 4.548 . 0 0 "[ . 1]" 1
2117 3 24 PHE H 3 68 LEU QD 5.500 . 6.500 4.658 4.145 5.170 . 0 0 "[ . 1]" 1
2118 3 24 PHE HZ 3 50 LEU QD 5.500 . 6.500 4.538 3.787 5.487 . 0 0 "[ . 1]" 1
2119 3 24 PHE HZ 3 52 PHE HZ 5.500 . 6.500 6.527 6.386 6.622 0.122 4 0 "[ . 1]" 1
2120 3 24 PHE HZ 3 61 VAL QG 5.500 . 6.500 3.970 3.685 4.199 . 0 0 "[ . 1]" 1
2121 3 24 PHE HZ 3 66 HIS HE1 5.500 . 6.500 4.896 3.752 6.343 . 0 0 "[ . 1]" 1
2122 3 24 PHE HZ 3 73 ILE MD 3.500 . 4.200 2.471 2.127 2.977 . 0 0 "[ . 1]" 1
2123 3 24 PHE HZ 3 73 ILE QG 4.500 . 5.250 4.028 3.738 4.420 . 0 0 "[ . 1]" 1
2124 3 24 PHE HZ 3 75 PRO HA 4.500 . 5.250 4.988 4.273 5.367 0.117 10 0 "[ . 1]" 1
2125 3 24 PHE HZ 3 75 PRO QB 3.500 . 4.200 3.233 2.714 3.688 . 0 0 "[ . 1]" 1
2126 3 24 PHE HZ 3 75 PRO QD 4.500 . 5.250 4.742 4.144 4.974 . 0 0 "[ . 1]" 1
2127 3 24 PHE HZ 3 75 PRO QG 3.500 . 4.200 3.688 2.614 4.222 0.022 9 0 "[ . 1]" 1
2128 3 25 GLY QA 3 26 LYS H 4.500 . 5.250 2.852 2.625 2.950 . 0 0 "[ . 1]" 1
2129 3 25 GLY QA 3 27 TYR H 4.500 . 5.250 3.170 3.092 3.325 . 0 0 "[ . 1]" 1
2130 3 25 GLY QA 3 28 GLY H 4.500 . 5.250 3.428 2.733 4.196 . 0 0 "[ . 1]" 1
2131 3 25 GLY QA 3 30 VAL QG 3.500 . 4.200 3.061 2.410 3.767 . 0 0 "[ . 1]" 1
2132 3 25 GLY QA 3 30 VAL H 4.500 . 5.250 4.426 3.732 4.894 . 0 0 "[ . 1]" 1
2133 3 25 GLY QA 3 52 PHE QE 5.500 . 6.500 3.656 3.043 4.165 . 0 0 "[ . 1]" 1
2134 3 25 GLY H 3 26 LYS H 3.500 . 4.200 3.033 2.734 3.292 . 0 0 "[ . 1]" 1
2135 3 25 GLY H 3 30 VAL QG 4.500 . 5.250 4.135 2.862 5.310 0.060 5 0 "[ . 1]" 1
2136 3 25 GLY H 3 52 PHE QE 5.500 . 6.500 5.241 4.109 6.078 . 0 0 "[ . 1]" 1
2137 3 26 LYS HA 3 26 LYS QD 3.500 . 4.200 4.142 3.965 4.283 0.083 7 0 "[ . 1]" 1
2138 3 26 LYS HA 3 27 TYR H 3.300 . 3.800 3.283 3.051 3.543 . 0 0 "[ . 1]" 1
2139 3 26 LYS QB 3 26 LYS QE 3.500 . 4.200 3.148 2.007 3.587 . 0 0 "[ . 1]" 1
2140 3 26 LYS QB 3 27 TYR QD 3.500 . 4.200 3.351 2.405 4.228 0.028 4 0 "[ . 1]" 1
2141 3 26 LYS QB 3 27 TYR QE 3.500 . 4.200 3.550 2.731 4.327 0.127 10 0 "[ . 1]" 1
2142 3 26 LYS QB 3 27 TYR H 3.500 . 4.200 3.452 2.879 4.012 . 0 0 "[ . 1]" 1
2143 3 26 LYS QD 3 27 TYR QE 3.500 . 4.200 3.620 2.698 4.214 0.014 9 0 "[ . 1]" 1
2144 3 26 LYS QE 3 27 TYR QE 3.500 . 4.200 3.611 2.209 4.276 0.076 5 0 "[ . 1]" 1
2145 3 26 LYS QG 3 27 TYR QE 3.500 . 4.200 3.408 2.205 4.332 0.132 8 0 "[ . 1]" 1
2146 3 26 LYS H 3 26 LYS QB 3.500 . 4.200 2.446 2.135 3.121 . 0 0 "[ . 1]" 1
2147 3 26 LYS H 3 26 LYS QG 3.500 . 4.200 3.037 1.896 3.983 . 0 0 "[ . 1]" 1
2148 3 26 LYS H 3 27 TYR H 3.300 . 3.800 2.399 2.076 3.152 . 0 0 "[ . 1]" 1
2149 3 26 LYS H 3 28 GLY H 4.500 . 5.250 4.343 3.881 4.944 . 0 0 "[ . 1]" 1
2150 3 27 TYR HA 3 27 TYR QD 2.800 . 3.100 3.019 2.704 3.152 0.052 8 0 "[ . 1]" 1
2151 3 27 TYR QB 3 27 TYR QD 2.800 . 3.100 2.148 2.138 2.161 . 0 0 "[ . 1]" 1
2152 3 27 TYR QB 3 28 GLY H 4.500 . 5.250 2.553 1.903 3.298 . 0 0 "[ . 1]" 1
2153 3 27 TYR QB 3 52 PHE HZ 4.500 . 5.200 4.113 3.394 5.095 . 0 0 "[ . 1]" 1
2154 3 27 TYR QB 3 57 SER HG 5.500 . 6.500 4.020 2.140 5.280 . 0 0 "[ . 1]" 1
2155 3 27 TYR QD 3 28 GLY H 4.500 . 5.250 3.988 3.804 4.478 . 0 0 "[ . 1]" 1
2156 3 27 TYR QD 3 57 SER HA 3.500 . 4.200 4.251 3.863 4.356 0.156 1 0 "[ . 1]" 1
2157 3 27 TYR QD 3 60 GLU QB 2.800 . 3.100 2.453 2.054 2.912 . 0 0 "[ . 1]" 1
2158 3 27 TYR QD 3 60 GLU QG 3.500 . 4.200 2.810 2.060 4.012 . 0 0 "[ . 1]" 1
2159 3 27 TYR QD 3 61 VAL HA 3.500 . 4.200 3.782 2.847 4.227 0.027 9 0 "[ . 1]" 1
2160 3 27 TYR QD 3 64 THR HB 5.500 . 6.500 4.895 4.094 5.645 . 0 0 "[ . 1]" 1
2161 3 27 TYR QD 3 64 THR MG 5.500 . 6.500 4.682 4.204 5.397 . 0 0 "[ . 1]" 1
2162 3 27 TYR QD 3 66 HIS HE1 4.500 . 5.250 4.559 3.779 5.122 . 0 0 "[ . 1]" 1
2163 3 27 TYR QE 3 60 GLU QB 3.500 . 4.200 3.213 2.250 4.260 0.060 10 0 "[ . 1]" 1
2164 3 27 TYR QE 3 60 GLU QG 3.500 . 4.200 3.696 2.404 4.352 0.152 3 0 "[ . 1]" 1
2165 3 27 TYR QE 3 61 VAL HA 3.500 . 4.200 3.298 2.914 3.808 . 0 0 "[ . 1]" 1
2166 3 27 TYR QE 3 61 VAL QG 3.500 . 4.200 3.510 3.208 4.037 . 0 0 "[ . 1]" 1
2167 3 27 TYR QE 3 61 VAL H 5.500 . 6.500 4.675 4.083 5.418 . 0 0 "[ . 1]" 1
2168 3 27 TYR QE 3 64 THR HB 3.500 . 4.200 2.852 2.273 3.620 . 0 0 "[ . 1]" 1
2169 3 27 TYR QE 3 64 THR MG 4.500 . 5.250 2.730 2.235 3.676 . 0 0 "[ . 1]" 1
2170 3 27 TYR H 3 27 TYR QB 3.500 . 4.200 2.445 2.241 2.641 . 0 0 "[ . 1]" 1
2171 3 27 TYR H 3 27 TYR QD 3.500 . 4.200 2.198 1.796 2.968 0.004 9 0 "[ . 1]" 1
2172 3 27 TYR H 3 27 TYR QE 4.500 . 5.250 4.396 4.048 4.885 . 0 0 "[ . 1]" 1
2173 3 27 TYR H 3 28 GLY H 3.300 . 3.800 2.325 1.850 2.747 . 0 0 "[ . 1]" 1
2174 3 27 TYR H 3 52 PHE HZ 5.500 . 6.500 5.501 4.787 5.953 . 0 0 "[ . 1]" 1
2175 3 27 TYR H 3 61 VAL QG 5.500 . 6.500 4.800 4.388 5.550 . 0 0 "[ . 1]" 1
2176 3 28 GLY QA 3 29 THR H 3.500 . 4.200 2.176 2.144 2.317 . 0 0 "[ . 1]" 1
2177 3 28 GLY QA 3 52 PHE QE 4.500 . 5.250 4.893 4.184 5.330 0.080 6 0 "[ . 1]" 1
2178 3 28 GLY QA 3 54 LYS QB 4.500 . 5.250 4.416 3.356 5.381 0.131 10 0 "[ . 1]" 1
2179 3 28 GLY QA 3 54 LYS H 5.500 . 6.500 5.578 5.069 6.437 . 0 0 "[ . 1]" 1
2180 3 28 GLY QA 3 57 SER HG 5.500 . 6.500 3.812 2.272 5.409 . 0 0 "[ . 1]" 1
2181 3 28 GLY H 3 29 THR H 5.500 . 6.500 3.936 3.430 4.433 . 0 0 "[ . 1]" 1
2182 3 28 GLY H 3 30 VAL QG 5.500 . 6.500 4.999 4.156 6.037 . 0 0 "[ . 1]" 1
2183 3 29 THR HA 3 29 THR HB 2.800 . 3.100 2.976 2.615 3.033 . 0 0 "[ . 1]" 1
2184 3 29 THR HA 3 29 THR MG 2.800 . 3.100 2.330 2.121 3.157 0.057 4 0 "[ . 1]" 1
2185 3 29 THR HA 3 30 VAL QG 4.500 . 5.250 3.434 3.094 3.689 . 0 0 "[ . 1]" 1
2186 3 29 THR HA 3 30 VAL H 3.300 . 3.800 2.277 2.227 2.348 . 0 0 "[ . 1]" 1
2187 3 29 THR HB 3 30 VAL H 5.500 . 6.500 3.870 3.560 4.192 . 0 0 "[ . 1]" 1
2188 3 29 THR HB 3 52 PHE HA 5.500 . 6.500 6.253 5.355 6.529 0.029 8 0 "[ . 1]" 1
2189 3 29 THR MG 3 30 VAL H 3.500 . 4.200 2.239 1.942 3.292 . 0 0 "[ . 1]" 1
2190 3 29 THR MG 3 31 THR HA 5.500 . 6.500 4.268 3.847 5.225 . 0 0 "[ . 1]" 1
2191 3 29 THR MG 3 31 THR MG 5.500 . 6.500 4.628 2.268 5.310 . 0 0 "[ . 1]" 1
2192 3 29 THR MG 3 31 THR H 5.500 . 6.500 4.701 4.160 5.669 . 0 0 "[ . 1]" 1
2193 3 29 THR MG 3 52 PHE HA 5.500 . 6.500 5.663 3.910 6.143 . 0 0 "[ . 1]" 1
2194 3 29 THR MG 3 53 GLU QB 3.500 . 4.200 3.576 2.383 4.232 0.032 10 0 "[ . 1]" 1
2195 3 29 THR MG 3 53 GLU QG 5.500 . 6.500 4.805 3.705 5.485 . 0 0 "[ . 1]" 1
2196 3 29 THR MG 3 53 GLU H 4.500 . 5.250 4.691 3.609 5.193 . 0 0 "[ . 1]" 1
2197 3 29 THR H 3 29 THR HB 3.300 . 3.800 2.793 2.702 3.191 . 0 0 "[ . 1]" 1
2198 3 29 THR H 3 29 THR MG 3.500 . 4.200 3.719 2.316 3.915 . 0 0 "[ . 1]" 1
2199 3 29 THR H 3 30 VAL H 5.500 . 6.500 4.472 4.439 4.531 . 0 0 "[ . 1]" 1
2200 3 29 THR H 3 52 PHE HA 5.500 . 6.500 5.705 4.739 6.513 0.013 6 0 "[ . 1]" 1
2201 3 29 THR H 3 52 PHE QD 3.500 . 4.200 4.093 3.519 4.255 0.055 6 0 "[ . 1]" 1
2202 3 29 THR H 3 52 PHE QE 5.500 . 6.500 4.926 4.203 5.698 . 0 0 "[ . 1]" 1
2203 3 29 THR H 3 53 GLU QB 5.500 . 6.500 4.718 4.171 5.186 . 0 0 "[ . 1]" 1
2204 3 29 THR H 3 54 LYS H 5.500 . 6.500 4.514 3.775 5.300 . 0 0 "[ . 1]" 1
2205 3 29 THR H 3 57 SER HG 5.500 . 6.500 4.449 3.244 6.155 . 0 0 "[ . 1]" 1
2206 3 30 VAL HA 3 30 VAL HB 2.800 . 3.100 2.620 2.323 3.032 . 0 0 "[ . 1]" 1
2207 3 30 VAL HA 3 31 THR H 3.300 . 3.800 2.277 2.219 2.399 . 0 0 "[ . 1]" 1
2208 3 30 VAL HA 3 50 LEU QD 5.500 . 6.500 4.175 3.527 5.073 . 0 0 "[ . 1]" 1
2209 3 30 VAL HA 3 52 PHE HA 2.800 . 3.100 2.519 2.232 2.798 . 0 0 "[ . 1]" 1
2210 3 30 VAL HA 3 52 PHE QD 2.800 . 3.100 2.978 2.627 3.159 0.059 7 0 "[ . 1]" 1
2211 3 30 VAL HA 3 52 PHE QE 3.500 . 4.200 4.256 4.166 4.341 0.141 3 0 "[ . 1]" 1
2212 3 30 VAL HA 3 53 GLU H 4.500 . 5.250 2.886 2.250 5.168 . 0 0 "[ . 1]" 1
2213 3 30 VAL HB 3 31 THR H 5.500 . 6.500 3.790 2.781 4.177 . 0 0 "[ . 1]" 1
2214 3 30 VAL HB 3 50 LEU QD 5.500 . 6.500 3.300 2.481 4.157 . 0 0 "[ . 1]" 1
2215 3 30 VAL HB 3 52 PHE HA 4.500 . 5.250 4.266 3.003 5.277 0.027 10 0 "[ . 1]" 1
2216 3 30 VAL HB 3 52 PHE QD 4.500 . 5.250 4.203 3.302 5.222 . 0 0 "[ . 1]" 1
2217 3 30 VAL HB 3 52 PHE QE 4.500 . 5.250 4.131 2.874 5.302 0.052 4 0 "[ . 1]" 1
2218 3 30 VAL QG 3 31 THR H 3.500 . 4.200 2.643 2.172 3.500 . 0 0 "[ . 1]" 1
2219 3 30 VAL QG 3 32 ASP HA 5.500 . 6.500 3.803 3.403 4.701 . 0 0 "[ . 1]" 1
2220 3 30 VAL QG 3 32 ASP H 3.500 . 4.200 2.902 2.189 4.160 . 0 0 "[ . 1]" 1
2221 3 30 VAL QG 3 50 LEU HA 5.500 . 6.500 3.855 2.418 4.823 . 0 0 "[ . 1]" 1
2222 3 30 VAL QG 3 50 LEU QD 3.500 . 4.200 2.071 1.770 2.794 0.030 1 0 "[ . 1]" 1
2223 3 30 VAL QG 3 51 SER H 4.500 . 5.250 3.730 2.832 4.933 . 0 0 "[ . 1]" 1
2224 3 30 VAL QG 3 52 PHE HA 5.500 . 6.500 2.947 2.256 3.527 . 0 0 "[ . 1]" 1
2225 3 30 VAL QG 3 52 PHE QD 3.500 . 4.200 2.904 2.210 4.032 . 0 0 "[ . 1]" 1
2226 3 30 VAL QG 3 52 PHE QE 3.500 . 4.200 2.777 2.002 3.949 . 0 0 "[ . 1]" 1
2227 3 30 VAL H 3 30 VAL HB 3.300 . 3.800 3.149 2.511 3.817 0.017 9 0 "[ . 1]" 1
2228 3 30 VAL H 3 30 VAL QG 3.500 . 4.200 2.113 1.768 2.593 0.032 3 0 "[ . 1]" 1
2229 3 30 VAL H 3 31 THR H 5.500 . 6.500 4.487 4.442 4.526 . 0 0 "[ . 1]" 1
2230 3 30 VAL H 3 32 ASP H 5.500 . 6.500 6.229 5.998 6.549 0.049 5 0 "[ . 1]" 1
2231 3 30 VAL H 3 50 LEU QD 5.500 . 6.500 5.385 4.902 5.800 . 0 0 "[ . 1]" 1
2232 3 30 VAL H 3 52 PHE HA 5.500 . 6.500 5.355 4.902 5.598 . 0 0 "[ . 1]" 1
2233 3 30 VAL H 3 52 PHE QD 5.500 . 6.500 4.795 4.148 5.127 . 0 0 "[ . 1]" 1
2234 3 30 VAL H 3 52 PHE QE 5.500 . 6.500 5.091 4.877 5.614 . 0 0 "[ . 1]" 1
2235 3 31 THR HA 3 31 THR HB 2.800 . 3.100 2.546 2.334 2.908 . 0 0 "[ . 1]" 1
2236 3 31 THR HA 3 31 THR MG 3.500 . 4.200 2.783 2.110 3.186 . 0 0 "[ . 1]" 1
2237 3 31 THR HA 3 32 ASP H 3.300 . 3.800 3.567 3.531 3.598 . 0 0 "[ . 1]" 1
2238 3 31 THR HA 3 53 GLU QB 4.500 . 5.250 4.176 3.205 5.316 0.066 10 0 "[ . 1]" 1
2239 3 31 THR HB 3 52 PHE HA 5.500 . 6.500 5.638 4.769 6.532 0.032 10 0 "[ . 1]" 1
2240 3 31 THR MG 3 32 ASP H 3.500 . 4.200 2.637 1.754 4.001 0.046 7 0 "[ . 1]" 1
2241 3 31 THR MG 3 51 SER QB 4.500 . 5.250 3.220 2.167 5.242 . 0 0 "[ . 1]" 1
2242 3 31 THR MG 3 52 PHE HA 4.500 . 5.250 4.143 2.834 5.321 0.071 5 0 "[ . 1]" 1
2243 3 31 THR MG 3 52 PHE QB 5.500 . 6.500 5.204 4.166 6.146 . 0 0 "[ . 1]" 1
2244 3 31 THR MG 3 52 PHE H 5.500 . 6.500 5.116 3.617 6.404 . 0 0 "[ . 1]" 1
2245 3 31 THR MG 3 53 GLU HA 3.500 . 4.200 3.066 2.623 3.649 . 0 0 "[ . 1]" 1
2246 3 31 THR MG 3 53 GLU QB 3.500 . 4.200 2.544 2.036 3.149 . 0 0 "[ . 1]" 1
2247 3 31 THR MG 3 53 GLU QG 4.500 . 5.250 3.255 2.424 4.365 . 0 0 "[ . 1]" 1
2248 3 31 THR MG 3 53 GLU H 3.500 . 4.200 3.390 2.669 4.040 . 0 0 "[ . 1]" 1
2249 3 31 THR MG 3 54 LYS H 5.500 . 6.500 5.261 4.792 5.872 . 0 0 "[ . 1]" 1
2250 3 31 THR H 3 31 THR MG 3.500 . 4.200 2.403 1.780 3.601 0.020 2 0 "[ . 1]" 1
2251 3 31 THR H 3 32 ASP H 3.300 . 3.800 2.347 1.954 2.811 . 0 0 "[ . 1]" 1
2252 3 31 THR H 3 50 LEU QD 5.500 . 6.500 4.755 4.206 5.783 . 0 0 "[ . 1]" 1
2253 3 31 THR H 3 51 SER QB 5.500 . 6.500 3.714 3.021 4.105 . 0 0 "[ . 1]" 1
2254 3 31 THR H 3 51 SER H 5.500 . 6.500 5.068 4.748 5.473 . 0 0 "[ . 1]" 1
2255 3 31 THR H 3 52 PHE HA 4.500 . 5.250 3.135 2.380 3.614 . 0 0 "[ . 1]" 1
2256 3 31 THR H 3 52 PHE QD 4.500 . 5.250 4.754 4.474 4.957 . 0 0 "[ . 1]" 1
2257 3 31 THR H 3 53 GLU H 5.500 . 6.500 3.104 2.472 5.380 . 0 0 "[ . 1]" 1
2258 3 32 ASP HA 3 33 LEU QD 4.500 . 5.250 4.127 2.719 5.248 . 0 0 "[ . 1]" 1
2259 3 32 ASP HA 3 33 LEU H 2.800 . 3.100 2.404 2.279 2.523 . 0 0 "[ . 1]" 1
2260 3 32 ASP HA 3 51 SER QB 3.500 . 4.200 4.125 3.504 4.275 0.075 4 0 "[ . 1]" 1
2261 3 32 ASP HA 3 51 SER H 5.500 . 6.500 5.155 4.700 5.292 . 0 0 "[ . 1]" 1
2262 3 32 ASP QB 3 33 LEU H 4.500 . 5.250 3.328 2.831 3.914 . 0 0 "[ . 1]" 1
2263 3 32 ASP QB 3 51 SER HA 4.500 . 5.250 5.169 4.365 5.426 0.176 6 0 "[ . 1]" 1
2264 3 32 ASP QB 3 51 SER QB 3.500 . 4.200 2.489 2.007 2.892 . 0 0 "[ . 1]" 1
2265 3 32 ASP QB 3 51 SER H 4.500 . 5.250 4.267 3.545 4.485 . 0 0 "[ . 1]" 1
2266 3 32 ASP H 3 32 ASP QB 3.500 . 4.200 2.765 2.449 2.868 . 0 0 "[ . 1]" 1
2267 3 32 ASP H 3 33 LEU H 5.500 . 6.500 4.345 3.743 4.465 . 0 0 "[ . 1]" 1
2268 3 32 ASP H 3 50 LEU QD 5.500 . 6.500 4.683 4.033 5.695 . 0 0 "[ . 1]" 1
2269 3 32 ASP H 3 51 SER HA 5.500 . 6.500 4.869 3.974 5.169 . 0 0 "[ . 1]" 1
2270 3 32 ASP H 3 51 SER QB 4.500 . 5.250 2.240 1.770 2.860 0.030 10 0 "[ . 1]" 1
2271 3 32 ASP H 3 51 SER H 3.500 . 4.200 3.831 3.255 4.051 . 0 0 "[ . 1]" 1
2272 3 32 ASP H 3 52 PHE HA 5.500 . 6.500 4.669 4.000 5.201 . 0 0 "[ . 1]" 1
2273 3 33 LEU HA 3 33 LEU QD 3.500 . 4.200 3.050 2.211 3.437 . 0 0 "[ . 1]" 1
2274 3 33 LEU HA 3 34 LYS H 2.800 . 3.100 2.318 2.254 2.373 . 0 0 "[ . 1]" 1
2275 3 33 LEU HA 3 50 LEU QD 5.500 . 6.500 3.669 2.680 4.221 . 0 0 "[ . 1]" 1
2276 3 33 LEU HA 3 50 LEU H 5.500 . 6.500 4.907 4.633 5.170 . 0 0 "[ . 1]" 1
2277 3 33 LEU HA 3 51 SER H 4.500 . 5.250 2.507 2.032 2.888 . 0 0 "[ . 1]" 1
2278 3 33 LEU QB 3 50 LEU HA 4.500 . 5.250 2.580 2.090 3.830 . 0 0 "[ . 1]" 1
2279 3 33 LEU QB 3 50 LEU QD 4.500 . 5.250 2.403 1.898 3.078 . 0 0 "[ . 1]" 1
2280 3 33 LEU QD 3 34 LYS HA 3.500 . 4.200 3.422 2.666 4.242 0.042 6 0 "[ . 1]" 1
2281 3 33 LEU QD 3 34 LYS H 3.500 . 4.200 3.128 1.868 4.099 . 0 0 "[ . 1]" 1
2282 3 33 LEU QD 3 50 LEU HA 4.500 . 5.250 3.274 2.223 3.841 . 0 0 "[ . 1]" 1
2283 3 33 LEU QD 3 50 LEU QB 3.500 . 4.200 4.085 3.465 4.364 0.164 3 0 "[ . 1]" 1
2284 3 33 LEU QD 3 50 LEU QD 2.800 . 3.100 2.245 1.910 2.952 . 0 0 "[ . 1]" 1
2285 3 33 LEU H 3 33 LEU QD 3.500 . 4.200 3.043 1.767 3.851 0.033 6 0 "[ . 1]" 1
2286 3 33 LEU H 3 34 LYS H 5.500 . 6.500 4.330 4.252 4.384 . 0 0 "[ . 1]" 1
2287 3 33 LEU H 3 51 SER H 5.500 . 6.500 4.606 4.248 4.876 . 0 0 "[ . 1]" 1
2288 3 34 LYS HA 3 34 LYS QG 3.500 . 4.200 2.472 2.132 2.804 . 0 0 "[ . 1]" 1
2289 3 34 LYS HA 3 35 ILE H 3.500 . 4.200 2.280 2.218 2.459 . 0 0 "[ . 1]" 1
2290 3 34 LYS QB 3 36 MET ME 3.500 . 4.200 3.227 2.002 4.094 . 0 0 "[ . 1]" 1
2291 3 34 LYS QB 3 49 PHE QB 3.500 . 4.200 2.117 1.920 2.247 . 0 0 "[ . 1]" 1
2292 3 34 LYS QB 3 49 PHE QD 3.500 . 4.200 2.477 2.194 3.112 . 0 0 "[ . 1]" 1
2293 3 34 LYS QB 3 49 PHE QE 5.500 . 6.500 4.388 3.930 5.025 . 0 0 "[ . 1]" 1
2294 3 34 LYS QB 3 49 PHE H 4.500 . 5.250 3.635 3.183 4.106 . 0 0 "[ . 1]" 1
2295 3 34 LYS QG 3 49 PHE HA 5.500 . 6.500 6.089 4.566 6.699 0.199 7 0 "[ . 1]" 1
2296 3 34 LYS QG 3 49 PHE QB 3.500 . 4.200 3.348 2.012 3.895 . 0 0 "[ . 1]" 1
2297 3 34 LYS QG 3 49 PHE QD 3.500 . 4.200 3.750 3.546 3.912 . 0 0 "[ . 1]" 1
2298 3 34 LYS QG 3 49 PHE QE 4.500 . 5.250 5.154 4.686 5.373 0.123 1 0 "[ . 1]" 1
2299 3 34 LYS H 3 34 LYS QB 3.500 . 4.200 2.618 2.348 3.010 . 0 0 "[ . 1]" 1
2300 3 34 LYS H 3 49 PHE QB 4.500 . 5.250 2.283 1.784 2.716 0.016 10 0 "[ . 1]" 1
2301 3 34 LYS H 3 49 PHE QD 5.500 . 6.500 4.251 3.769 4.614 . 0 0 "[ . 1]" 1
2302 3 34 LYS H 3 49 PHE H 3.500 . 4.200 3.025 2.755 3.178 . 0 0 "[ . 1]" 1
2303 3 34 LYS H 3 50 LEU HA 4.500 . 5.250 3.882 3.681 4.228 . 0 0 "[ . 1]" 1
2304 3 34 LYS H 3 50 LEU H 5.500 . 6.500 4.784 4.302 5.061 . 0 0 "[ . 1]" 1
2305 3 35 ILE HA 3 35 ILE MD 4.500 . 5.250 3.524 2.888 3.826 . 0 0 "[ . 1]" 1
2306 3 35 ILE HA 3 35 ILE QG 3.500 . 4.200 2.321 2.166 2.548 . 0 0 "[ . 1]" 1
2307 3 35 ILE HA 3 35 ILE MG 3.500 . 4.200 3.059 2.340 3.224 . 0 0 "[ . 1]" 1
2308 3 35 ILE HA 3 36 MET H 3.300 . 3.800 2.275 2.197 2.389 . 0 0 "[ . 1]" 1
2309 3 35 ILE HB 3 35 ILE MD 3.500 . 4.200 2.416 2.112 3.129 . 0 0 "[ . 1]" 1
2310 3 35 ILE MD 3 36 MET H 5.500 . 6.500 4.046 2.803 5.244 . 0 0 "[ . 1]" 1
2311 3 35 ILE MD 3 48 GLY QA 5.500 . 6.500 3.341 2.401 4.230 . 0 0 "[ . 1]" 1
2312 3 35 ILE QG 3 36 MET H 5.500 . 6.500 2.724 1.991 4.164 . 0 0 "[ . 1]" 1
2313 3 35 ILE QG 3 37 LYS HA 5.500 . 6.500 5.158 3.992 6.576 0.076 9 0 "[ . 1]" 1
2314 3 35 ILE QG 3 47 PHE H 4.500 . 5.250 4.186 3.514 5.319 0.069 9 0 "[ . 1]" 1
2315 3 35 ILE QG 3 48 GLY QA 3.500 . 4.200 2.931 2.190 3.755 . 0 0 "[ . 1]" 1
2316 3 35 ILE QG 3 49 PHE H 5.500 . 6.500 4.343 2.709 5.364 . 0 0 "[ . 1]" 1
2317 3 35 ILE QG 3 35 ILE MG 2.800 . 3.100 2.238 1.992 2.539 . 0 0 "[ . 1]" 1
2318 3 35 ILE MG 3 36 MET H 3.500 . 4.200 3.469 2.179 4.243 0.043 3 0 "[ . 1]" 1
2319 3 35 ILE MG 3 47 PHE H 5.500 . 6.500 5.820 3.791 6.538 0.038 7 0 "[ . 1]" 1
2320 3 35 ILE MG 3 48 GLY QA 4.500 . 5.250 4.180 3.328 4.922 . 0 0 "[ . 1]" 1
2321 3 35 ILE H 3 35 ILE HB 3.300 . 3.800 2.984 2.326 3.765 . 0 0 "[ . 1]" 1
2322 3 35 ILE H 3 35 ILE QG 3.500 . 4.200 3.928 3.070 4.253 0.053 4 0 "[ . 1]" 1
2323 3 35 ILE H 3 36 MET H 5.500 . 6.500 4.274 3.520 4.649 . 0 0 "[ . 1]" 1
2324 3 36 MET HA 3 36 MET ME 3.500 . 4.200 3.931 3.104 4.275 0.075 4 0 "[ . 1]" 1
2325 3 36 MET HA 3 37 LYS H 3.300 . 3.800 2.682 2.369 3.591 . 0 0 "[ . 1]" 1
2326 3 36 MET QB 3 47 PHE QE 5.500 . 6.500 3.354 2.302 4.678 . 0 0 "[ . 1]" 1
2327 3 36 MET QB 3 47 PHE HZ 4.500 . 5.250 3.321 2.003 5.025 . 0 0 "[ . 1]" 1
2328 3 36 MET QB 3 36 MET ME 3.500 . 4.200 2.652 2.100 3.689 . 0 0 "[ . 1]" 1
2329 3 36 MET ME 3 47 PHE QE 3.500 . 4.200 2.809 2.216 3.887 . 0 0 "[ . 1]" 1
2330 3 36 MET ME 3 47 PHE HZ 5.500 . 6.500 3.353 2.165 4.583 . 0 0 "[ . 1]" 1
2331 3 36 MET ME 3 49 PHE QD 3.500 . 4.200 3.790 3.113 4.208 0.008 1 0 "[ . 1]" 1
2332 3 36 MET ME 3 49 PHE QE 3.500 . 4.200 4.118 3.748 4.246 0.046 5 0 "[ . 1]" 1
2333 3 36 MET QG 3 47 PHE QE 3.500 . 4.200 3.197 2.241 4.221 0.021 10 0 "[ . 1]" 1
2334 3 36 MET QG 3 47 PHE HZ 4.500 . 5.250 3.057 2.043 4.824 . 0 0 "[ . 1]" 1
2335 3 36 MET QG 3 49 PHE QD 5.500 . 6.500 5.555 3.970 6.527 0.027 6 0 "[ . 1]" 1
2336 3 36 MET H 3 36 MET QG 4.500 . 5.250 3.207 1.798 4.333 0.002 3 0 "[ . 1]" 1
2337 3 36 MET H 3 37 LYS H 5.500 . 6.500 3.343 2.354 4.521 . 0 0 "[ . 1]" 1
2338 3 36 MET H 3 46 GLY QA 4.500 . 5.250 4.855 3.677 5.286 0.036 3 0 "[ . 1]" 1
2339 3 36 MET H 3 47 PHE H 5.500 . 6.500 4.000 3.536 4.698 . 0 0 "[ . 1]" 1
2340 3 36 MET H 3 48 GLY QA 5.500 . 6.500 4.300 3.128 5.470 . 0 0 "[ . 1]" 1
2341 3 37 LYS HA 3 38 ASP H 3.300 . 3.800 2.786 2.162 3.576 . 0 0 "[ . 1]" 1
2342 3 37 LYS QB 3 46 GLY H 5.500 . 6.500 5.845 4.356 6.617 0.117 8 0 "[ . 1]" 1
2343 3 37 LYS H 3 37 LYS QB 3.500 . 4.200 2.753 2.140 3.389 . 0 0 "[ . 1]" 1
2344 3 38 ASP HA 3 39 PRO QD 3.500 . 4.200 2.139 2.033 2.417 . 0 0 "[ . 1]" 1
2345 3 38 ASP HA 3 40 ALA H 4.500 . 5.250 3.595 3.035 4.771 . 0 0 "[ . 1]" 1
2346 3 38 ASP QB 3 41 THR H 4.500 . 5.250 3.585 2.850 4.805 . 0 0 "[ . 1]" 1
2347 3 38 ASP QB 3 42 GLY H 5.500 . 6.500 2.408 1.743 3.633 0.057 5 0 "[ . 1]" 1
2348 3 38 ASP QB 3 43 ARG HA 3.500 . 4.200 3.344 2.012 4.290 0.090 2 0 "[ . 1]" 1
2349 3 38 ASP QB 3 43 ARG H 3.500 . 4.200 3.144 2.175 4.283 0.083 6 0 "[ . 1]" 1
2350 3 38 ASP H 3 38 ASP QB 3.500 . 4.200 2.494 2.095 3.049 . 0 0 "[ . 1]" 1
2351 3 38 ASP H 3 42 GLY H 5.500 . 6.500 5.086 4.191 6.446 . 0 0 "[ . 1]" 1
2352 3 38 ASP H 3 43 ARG H 5.500 . 6.500 5.528 4.250 6.582 0.082 4 0 "[ . 1]" 1
2353 3 39 PRO HA 3 40 ALA H 5.500 . 6.500 3.454 3.328 3.611 . 0 0 "[ . 1]" 1
2354 3 39 PRO QB 3 40 ALA H 4.500 . 5.250 3.167 2.136 3.689 . 0 0 "[ . 1]" 1
2355 3 39 PRO QD 3 40 ALA MB 5.500 . 6.500 4.053 2.907 5.192 . 0 0 "[ . 1]" 1
2356 3 39 PRO QD 3 40 ALA H 4.500 . 5.250 2.784 2.102 3.297 . 0 0 "[ . 1]" 1
2357 3 39 PRO QG 3 40 ALA H 4.500 . 5.250 3.542 2.152 4.294 . 0 0 "[ . 1]" 1
2358 3 40 ALA HA 3 41 THR H 3.300 . 3.800 3.448 3.001 3.588 . 0 0 "[ . 1]" 1
2359 3 40 ALA MB 3 41 THR MG 2.800 . 3.100 2.818 2.321 3.330 0.230 10 0 "[ . 1]" 1
2360 3 40 ALA MB 3 41 THR H 3.500 . 4.200 2.479 1.851 3.589 . 0 0 "[ . 1]" 1
2361 3 40 ALA MB 3 42 GLY H 4.500 . 5.250 4.132 3.388 5.215 . 0 0 "[ . 1]" 1
2362 3 40 ALA H 3 40 ALA MB 2.800 . 3.100 2.386 2.105 2.903 . 0 0 "[ . 1]" 1
2363 3 40 ALA H 3 41 THR MG 4.500 . 5.250 4.455 3.248 5.080 . 0 0 "[ . 1]" 1
2364 3 40 ALA H 3 41 THR H 3.500 . 4.200 2.607 1.888 3.214 . 0 0 "[ . 1]" 1
2365 3 40 ALA H 3 42 GLY H 3.300 . 3.800 3.553 2.274 3.888 0.088 6 0 "[ . 1]" 1
2366 3 41 THR HA 3 41 THR HB 2.800 . 3.100 2.528 2.412 2.710 . 0 0 "[ . 1]" 1
2367 3 41 THR HA 3 41 THR MG 2.800 . 3.100 2.389 2.149 3.184 0.084 3 0 "[ . 1]" 1
2368 3 41 THR HA 3 42 GLY H 4.500 . 5.250 3.487 3.241 3.581 . 0 0 "[ . 1]" 1
2369 3 41 THR HA 3 43 ARG H 5.500 . 6.500 5.144 3.569 6.289 . 0 0 "[ . 1]" 1
2370 3 41 THR HB 3 43 ARG QB 5.500 . 6.500 5.669 3.534 6.701 0.201 10 0 "[ . 1]" 1
2371 3 41 THR MG 3 42 GLY H 4.500 . 5.250 3.751 1.877 4.124 . 0 0 "[ . 1]" 1
2372 3 41 THR MG 3 43 ARG H 5.500 . 6.500 4.857 1.821 6.345 . 0 0 "[ . 1]" 1
2373 3 41 THR H 3 41 THR HB 3.500 . 4.200 3.646 2.890 3.931 . 0 0 "[ . 1]" 1
2374 3 41 THR H 3 41 THR MG 3.500 . 4.200 2.668 1.809 3.597 . 0 0 "[ . 1]" 1
2375 3 41 THR H 3 42 GLY QA 4.500 . 5.250 4.165 3.832 5.039 . 0 0 "[ . 1]" 1
2376 3 41 THR H 3 42 GLY H 3.300 . 3.800 2.291 1.787 3.503 0.013 6 0 "[ . 1]" 1
2377 3 42 GLY QA 3 43 ARG QB 4.500 . 5.250 4.095 3.518 4.617 . 0 0 "[ . 1]" 1
2378 3 42 GLY QA 3 43 ARG H 4.500 . 5.250 2.593 2.181 2.920 . 0 0 "[ . 1]" 1
2379 3 42 GLY H 3 43 ARG H 4.500 . 5.250 2.809 1.815 4.153 . 0 0 "[ . 1]" 1
2380 3 43 ARG HA 3 43 ARG QD 3.500 . 4.200 3.540 2.204 4.252 0.052 10 0 "[ . 1]" 1
2381 3 43 ARG HA 3 43 ARG QG 2.800 . 3.100 2.395 2.160 3.211 0.111 10 0 "[ . 1]" 1
2382 3 43 ARG HA 3 44 SER H 3.300 . 3.800 2.333 2.209 2.633 . 0 0 "[ . 1]" 1
2383 3 43 ARG QB 3 44 SER H 3.500 . 4.200 3.542 2.877 4.006 . 0 0 "[ . 1]" 1
2384 3 43 ARG HE 3 44 SER H 5.500 . 6.500 5.574 2.765 6.519 0.019 5 0 "[ . 1]" 1
2385 3 43 ARG QG 3 44 SER H 3.500 . 4.200 3.529 2.028 4.372 0.172 2 0 "[ . 1]" 1
2386 3 43 ARG H 3 43 ARG QB 3.500 . 4.200 2.530 2.218 3.044 . 0 0 "[ . 1]" 1
2387 3 43 ARG H 3 43 ARG QG 4.500 . 5.250 3.509 2.071 4.217 . 0 0 "[ . 1]" 1
2388 3 43 ARG H 3 44 SER H 5.500 . 6.500 4.139 3.495 4.610 . 0 0 "[ . 1]" 1
2389 3 44 SER HA 3 45 ARG H 3.300 . 3.800 2.460 2.328 2.530 . 0 0 "[ . 1]" 1
2390 3 44 SER HA 3 46 GLY H 5.500 . 6.500 5.757 4.933 6.510 0.010 8 0 "[ . 1]" 1
2391 3 44 SER QB 3 46 GLY H 5.500 . 6.500 5.544 4.729 6.238 . 0 0 "[ . 1]" 1
2392 3 44 SER H 3 44 SER QB 3.500 . 4.200 2.880 2.681 3.246 . 0 0 "[ . 1]" 1
2393 3 45 ARG HA 3 45 ARG QD 3.500 . 4.200 2.920 2.144 3.901 . 0 0 "[ . 1]" 1
2394 3 45 ARG HA 3 45 ARG QG 3.500 . 4.200 2.944 2.278 3.364 . 0 0 "[ . 1]" 1
2395 3 45 ARG HA 3 46 GLY H 5.500 . 6.500 2.320 2.180 2.523 . 0 0 "[ . 1]" 1
2396 3 45 ARG HA 3 47 PHE QE 4.500 . 5.250 5.145 4.710 5.352 0.102 2 0 "[ . 1]" 1
2397 3 45 ARG QB 3 47 PHE QE 4.500 . 5.250 2.642 2.224 3.215 . 0 0 "[ . 1]" 1
2398 3 45 ARG QD 3 47 PHE QE 4.500 . 5.250 4.643 3.033 5.288 0.038 3 0 "[ . 1]" 1
2399 3 45 ARG QG 3 47 PHE QE 4.500 . 5.250 3.451 2.308 4.410 . 0 0 "[ . 1]" 1
2400 3 45 ARG H 3 45 ARG QG 4.500 . 5.250 2.342 1.747 4.092 0.053 5 0 "[ . 1]" 1
2401 3 45 ARG H 3 46 GLY H 5.500 2.800 6.250 4.481 4.131 4.741 . 0 0 "[ . 1]" 1
2402 3 46 GLY QA 3 47 PHE H 4.500 . 5.250 2.197 2.110 2.289 . 0 0 "[ . 1]" 1
2403 3 46 GLY H 3 47 PHE QE 5.500 . 6.500 5.343 4.671 5.914 . 0 0 "[ . 1]" 1
2404 3 46 GLY H 3 47 PHE H 4.300 . 4.800 4.215 3.691 4.593 . 0 0 "[ . 1]" 1
2405 3 47 PHE HA 3 48 GLY H 4.500 . 5.250 2.430 2.232 2.538 . 0 0 "[ . 1]" 1
2406 3 47 PHE QB 3 48 GLY H 4.500 . 5.250 2.618 2.398 3.127 . 0 0 "[ . 1]" 1
2407 3 47 PHE QD 3 48 GLY H 4.500 . 5.250 3.591 2.587 4.401 . 0 0 "[ . 1]" 1
2408 3 47 PHE QE 3 49 PHE QD 5.500 . 6.500 3.062 2.312 4.031 . 0 0 "[ . 1]" 1
2409 3 47 PHE H 3 47 PHE QD 3.500 . 4.200 2.954 2.460 3.324 . 0 0 "[ . 1]" 1
2410 3 47 PHE H 3 48 GLY H 5.500 . 6.500 4.420 4.104 4.548 . 0 0 "[ . 1]" 1
2411 3 48 GLY QA 3 49 PHE QD 4.500 . 5.250 4.276 3.837 4.739 . 0 0 "[ . 1]" 1
2412 3 48 GLY QA 3 49 PHE H 3.500 . 4.200 2.225 2.166 2.302 . 0 0 "[ . 1]" 1
2413 3 49 PHE HA 3 49 PHE QD 3.500 . 4.200 2.526 2.270 2.811 . 0 0 "[ . 1]" 1
2414 3 49 PHE HA 3 49 PHE QE 4.500 . 5.250 4.377 4.243 4.521 . 0 0 "[ . 1]" 1
2415 3 49 PHE HA 3 50 LEU QD 5.500 . 6.500 4.896 4.253 5.467 . 0 0 "[ . 1]" 1
2416 3 49 PHE HA 3 50 LEU H 3.300 . 3.800 2.305 2.202 2.537 . 0 0 "[ . 1]" 1
2417 3 49 PHE QB 3 50 LEU H 4.500 . 5.250 3.676 3.361 3.899 . 0 0 "[ . 1]" 1
2418 3 49 PHE QB 3 78 ALA MB 5.500 . 6.500 5.632 4.797 5.949 . 0 0 "[ . 1]" 1
2419 3 49 PHE QD 3 50 LEU H 4.500 . 5.250 4.223 3.806 4.490 . 0 0 "[ . 1]" 1
2420 3 49 PHE QD 3 78 ALA HA 5.500 . 6.500 5.143 4.500 5.603 . 0 0 "[ . 1]" 1
2421 3 49 PHE QD 3 78 ALA MB 3.500 . 4.200 3.983 3.104 4.232 0.032 4 0 "[ . 1]" 1
2422 3 49 PHE QE 3 78 ALA HA 5.500 . 6.500 4.724 4.098 5.042 . 0 0 "[ . 1]" 1
2423 3 49 PHE QE 3 78 ALA MB 3.500 . 4.200 3.966 3.286 4.210 0.010 4 0 "[ . 1]" 1
2424 3 49 PHE H 3 49 PHE QD 3.500 . 4.200 3.226 2.867 3.516 . 0 0 "[ . 1]" 1
2425 3 50 LEU HA 3 51 SER H 3.300 . 3.800 2.182 2.136 2.282 . 0 0 "[ . 1]" 1
2426 3 50 LEU QB 3 51 SER H 4.500 . 5.250 3.770 3.645 3.894 . 0 0 "[ . 1]" 1
2427 3 50 LEU QD 3 51 SER HA 5.500 . 6.500 4.503 3.701 5.429 . 0 0 "[ . 1]" 1
2428 3 50 LEU QD 3 51 SER H 4.500 . 5.250 3.027 2.492 3.879 . 0 0 "[ . 1]" 1
2429 3 50 LEU QD 3 52 PHE HA 5.500 . 6.500 3.950 2.920 5.281 . 0 0 "[ . 1]" 1
2430 3 50 LEU QD 3 52 PHE QB 5.500 . 6.500 4.364 3.393 5.293 . 0 0 "[ . 1]" 1
2431 3 50 LEU QD 3 52 PHE QD 4.500 . 5.250 3.344 2.759 4.080 . 0 0 "[ . 1]" 1
2432 3 50 LEU QD 3 52 PHE QE 3.500 . 4.200 2.478 2.130 2.988 . 0 0 "[ . 1]" 1
2433 3 50 LEU QD 3 52 PHE H 5.500 . 6.500 4.126 2.687 5.178 . 0 0 "[ . 1]" 1
2434 3 50 LEU QD 3 52 PHE HZ 5.500 . 6.500 2.596 2.062 3.196 . 0 0 "[ . 1]" 1
2435 3 50 LEU HG 3 51 SER H 4.500 . 5.250 4.445 3.484 5.238 . 0 0 "[ . 1]" 1
2436 3 50 LEU HG 3 52 PHE QE 4.500 . 5.250 4.298 2.286 5.043 . 0 0 "[ . 1]" 1
2437 3 50 LEU HG 3 52 PHE HZ 5.500 . 6.500 4.689 2.415 5.890 . 0 0 "[ . 1]" 1
2438 3 50 LEU H 3 50 LEU HG 5.500 . 6.500 3.933 2.365 4.823 . 0 0 "[ . 1]" 1
2439 3 51 SER HA 3 52 PHE QB 5.500 . 6.500 4.413 4.305 4.560 . 0 0 "[ . 1]" 1
2440 3 51 SER HA 3 52 PHE H 3.300 . 3.800 2.388 2.293 2.462 . 0 0 "[ . 1]" 1
2441 3 51 SER QB 3 52 PHE HA 4.500 . 5.250 4.597 4.241 5.090 . 0 0 "[ . 1]" 1
2442 3 52 PHE HA 3 52 PHE QD 2.800 . 3.100 2.443 2.248 2.897 . 0 0 "[ . 1]" 1
2443 3 52 PHE HA 3 52 PHE QE 4.500 . 5.250 4.294 4.143 4.493 . 0 0 "[ . 1]" 1
2444 3 52 PHE HA 3 53 GLU QB 4.500 . 5.250 4.193 4.074 4.546 . 0 0 "[ . 1]" 1
2445 3 52 PHE HA 3 53 GLU QG 5.500 . 6.500 5.550 3.650 5.894 . 0 0 "[ . 1]" 1
2446 3 52 PHE HA 3 53 GLU H 3.300 . 3.800 2.311 2.130 3.372 . 0 0 "[ . 1]" 1
2447 3 52 PHE HA 3 54 LYS H 5.500 . 6.500 4.337 3.754 5.530 . 0 0 "[ . 1]" 1
2448 3 52 PHE QB 3 52 PHE QD 2.800 . 3.100 2.158 2.144 2.172 . 0 0 "[ . 1]" 1
2449 3 52 PHE QB 3 53 GLU H 3.500 . 4.200 3.186 1.883 3.586 . 0 0 "[ . 1]" 1
2450 3 52 PHE QB 3 54 LYS H 3.500 . 4.200 3.404 2.651 4.462 0.262 10 0 "[ . 1]" 1
2451 3 52 PHE QB 3 57 SER QB 3.500 . 4.200 3.248 2.256 3.908 . 0 0 "[ . 1]" 1
2452 3 52 PHE QB 3 57 SER H 4.500 . 5.250 4.769 4.068 5.258 0.008 2 0 "[ . 1]" 1
2453 3 52 PHE QB 3 58 VAL QG 5.500 . 6.500 2.469 1.871 3.602 . 0 0 "[ . 1]" 1
2454 3 52 PHE QD 3 53 GLU H 3.500 . 4.200 3.517 3.111 4.042 . 0 0 "[ . 1]" 1
2455 3 52 PHE QD 3 54 LYS H 5.500 . 6.500 4.258 3.520 6.068 . 0 0 "[ . 1]" 1
2456 3 52 PHE QD 3 57 SER QB 3.500 . 4.200 3.224 2.341 3.770 . 0 0 "[ . 1]" 1
2457 3 52 PHE QD 3 57 SER HG 5.500 . 6.500 3.658 2.689 5.335 . 0 0 "[ . 1]" 1
2458 3 52 PHE QD 3 57 SER H 5.500 . 6.500 5.521 4.880 6.006 . 0 0 "[ . 1]" 1
2459 3 52 PHE QD 3 58 VAL HA 3.500 . 4.200 3.675 3.243 3.979 . 0 0 "[ . 1]" 1
2460 3 52 PHE QD 3 58 VAL QG 2.800 . 3.100 2.449 2.202 2.964 . 0 0 "[ . 1]" 1
2461 3 52 PHE QD 3 61 VAL QG 4.500 . 5.250 3.445 3.219 3.751 . 0 0 "[ . 1]" 1
2462 3 52 PHE QE 3 57 SER QB 3.500 . 4.200 3.697 2.852 4.159 . 0 0 "[ . 1]" 1
2463 3 52 PHE QE 3 58 VAL HA 3.500 . 4.200 4.044 3.403 4.238 0.038 5 0 "[ . 1]" 1
2464 3 52 PHE QE 3 58 VAL QG 4.500 . 5.250 3.792 2.992 4.243 . 0 0 "[ . 1]" 1
2465 3 52 PHE QE 3 61 VAL QG 2.800 . 3.100 2.277 2.056 2.605 . 0 0 "[ . 1]" 1
2466 3 52 PHE H 3 52 PHE QB 3.500 . 4.200 2.306 2.145 2.451 . 0 0 "[ . 1]" 1
2467 3 52 PHE HZ 3 57 SER QB 5.500 . 6.500 4.760 3.659 5.521 . 0 0 "[ . 1]" 1
2468 3 52 PHE HZ 3 61 VAL QG 2.800 . 3.100 2.568 2.080 3.061 . 0 0 "[ . 1]" 1
2469 3 52 PHE HZ 3 61 VAL H 5.500 . 6.500 6.311 5.809 6.591 0.091 10 0 "[ . 1]" 1
2470 3 53 GLU HA 3 53 GLU QG 2.800 . 3.100 2.435 2.254 3.267 0.167 10 0 "[ . 1]" 1
2471 3 53 GLU HA 3 54 LYS HA 4.500 . 5.250 4.634 4.575 4.693 . 0 0 "[ . 1]" 1
2472 3 53 GLU HA 3 54 LYS H 4.500 . 5.250 3.566 3.400 3.616 . 0 0 "[ . 1]" 1
2473 3 53 GLU QB 3 54 LYS H 3.500 . 4.200 2.472 2.169 3.123 . 0 0 "[ . 1]" 1
2474 3 53 GLU QG 3 54 LYS HA 5.500 . 6.500 3.968 3.633 5.314 . 0 0 "[ . 1]" 1
2475 3 53 GLU QG 3 54 LYS H 5.500 . 6.500 3.577 1.895 4.324 . 0 0 "[ . 1]" 1
2476 3 53 GLU H 3 53 GLU QB 3.500 . 4.200 2.331 2.137 2.666 . 0 0 "[ . 1]" 1
2477 3 53 GLU H 3 54 LYS H 3.300 . 3.800 2.760 1.584 3.963 0.216 4 0 "[ . 1]" 1
2478 3 54 LYS HA 3 54 LYS QG 3.500 . 4.200 2.347 2.131 3.291 . 0 0 "[ . 1]" 1
2479 3 54 LYS HA 3 55 PRO QD 2.800 . 3.100 2.011 1.921 2.302 . 0 0 "[ . 1]" 1
2480 3 54 LYS HA 3 56 SER H 5.500 . 6.500 3.869 3.561 4.304 . 0 0 "[ . 1]" 1
2481 3 54 LYS HA 3 57 SER H 5.500 . 6.500 5.251 4.661 5.945 . 0 0 "[ . 1]" 1
2482 3 54 LYS QB 3 56 SER QB 3.500 . 4.200 3.399 2.729 4.066 . 0 0 "[ . 1]" 1
2483 3 54 LYS QB 3 56 SER H 3.500 . 4.200 2.843 2.503 3.052 . 0 0 "[ . 1]" 1
2484 3 54 LYS QB 3 57 SER H 4.500 . 5.250 3.016 2.482 4.506 . 0 0 "[ . 1]" 1
2485 3 54 LYS QG 3 56 SER H 5.500 . 6.500 4.030 1.786 4.976 0.014 10 0 "[ . 1]" 1
2486 3 54 LYS H 3 54 LYS QB 3.500 . 4.200 2.260 2.077 2.547 . 0 0 "[ . 1]" 1
2487 3 54 LYS H 3 54 LYS QG 4.500 . 5.250 3.032 2.316 3.919 . 0 0 "[ . 1]" 1
2488 3 54 LYS H 3 57 SER QB 5.500 . 6.500 4.388 3.571 5.643 . 0 0 "[ . 1]" 1
2489 3 54 LYS H 3 57 SER H 5.500 . 6.500 5.151 4.650 5.716 . 0 0 "[ . 1]" 1
2490 3 55 PRO HA 3 56 SER H 4.500 . 5.250 3.477 3.210 3.605 . 0 0 "[ . 1]" 1
2491 3 55 PRO HA 3 57 SER H 5.500 . 6.500 4.942 4.529 5.205 . 0 0 "[ . 1]" 1
2492 3 55 PRO HA 3 58 VAL H 4.500 . 5.250 3.791 3.675 3.971 . 0 0 "[ . 1]" 1
2493 3 55 PRO QB 3 56 SER H 3.500 . 4.200 3.210 2.567 3.805 . 0 0 "[ . 1]" 1
2494 3 55 PRO QD 3 56 SER H 3.500 . 4.200 3.029 1.763 3.449 0.037 4 0 "[ . 1]" 1
2495 3 56 SER HA 3 57 SER H 4.500 . 5.250 3.568 3.552 3.584 . 0 0 "[ . 1]" 1
2496 3 56 SER HA 3 58 VAL H 4.500 . 5.250 3.774 3.553 3.995 . 0 0 "[ . 1]" 1
2497 3 56 SER HA 3 59 ASP QB 4.500 . 5.250 3.248 2.787 3.863 . 0 0 "[ . 1]" 1
2498 3 56 SER HA 3 59 ASP H 4.500 . 5.250 3.276 3.074 3.746 . 0 0 "[ . 1]" 1
2499 3 56 SER QB 3 57 SER H 5.500 . 6.500 2.468 1.875 3.271 . 0 0 "[ . 1]" 1
2500 3 56 SER QB 3 59 ASP H 5.500 . 6.500 4.609 4.375 4.930 . 0 0 "[ . 1]" 1
2501 3 56 SER H 3 56 SER QB 3.500 . 4.200 2.408 2.261 2.569 . 0 0 "[ . 1]" 1
2502 3 56 SER H 3 57 SER H 3.300 . 3.800 2.857 2.544 3.040 . 0 0 "[ . 1]" 1
2503 3 57 SER HA 3 58 VAL H 5.500 . 6.500 3.506 3.451 3.549 . 0 0 "[ . 1]" 1
2504 3 57 SER HA 3 60 GLU QG 3.500 . 4.200 3.533 2.163 4.334 0.134 2 0 "[ . 1]" 1
2505 3 57 SER QB 3 58 VAL H 5.500 . 6.500 3.099 2.668 3.619 . 0 0 "[ . 1]" 1
2506 3 57 SER H 3 57 SER QB 3.500 . 4.200 2.451 2.150 2.697 . 0 0 "[ . 1]" 1
2507 3 57 SER H 3 58 VAL QG 5.500 . 6.500 4.328 3.773 4.884 . 0 0 "[ . 1]" 1
2508 3 57 SER H 3 58 VAL H 3.300 . 3.800 2.955 2.904 3.027 . 0 0 "[ . 1]" 1
2509 3 58 VAL HA 3 59 ASP H 4.500 . 5.250 3.525 3.417 3.572 . 0 0 "[ . 1]" 1
2510 3 58 VAL HA 3 61 VAL HA 4.500 . 5.250 5.159 5.046 5.385 0.135 2 0 "[ . 1]" 1
2511 3 58 VAL HA 3 61 VAL HB 2.800 . 3.100 2.369 2.248 3.016 . 0 0 "[ . 1]" 1
2512 3 58 VAL HA 3 61 VAL QG 3.500 . 4.200 2.617 2.244 2.966 . 0 0 "[ . 1]" 1
2513 3 58 VAL HA 3 61 VAL H 3.500 . 4.200 3.463 3.295 3.625 . 0 0 "[ . 1]" 1
2514 3 58 VAL HA 3 62 VAL QG 4.500 . 5.250 4.008 3.345 4.895 . 0 0 "[ . 1]" 1
2515 3 58 VAL HA 3 62 VAL H 5.500 . 6.500 4.100 3.612 5.321 . 0 0 "[ . 1]" 1
2516 3 58 VAL HB 3 59 ASP H 3.300 . 3.800 3.081 2.523 3.913 0.113 6 0 "[ . 1]" 1
2517 3 58 VAL QG 3 59 ASP HA 4.500 . 5.250 3.300 2.869 3.564 . 0 0 "[ . 1]" 1
2518 3 58 VAL QG 3 59 ASP H 4.500 . 5.250 2.707 1.728 3.304 0.072 10 0 "[ . 1]" 1
2519 3 58 VAL QG 3 60 GLU H 5.500 . 6.500 4.526 4.045 4.827 . 0 0 "[ . 1]" 1
2520 3 58 VAL QG 3 61 VAL HB 5.500 . 6.500 3.506 3.099 4.285 . 0 0 "[ . 1]" 1
2521 3 58 VAL QG 3 62 VAL HB 5.500 . 6.500 4.172 3.494 4.980 . 0 0 "[ . 1]" 1
2522 3 58 VAL QG 3 62 VAL H 5.500 . 6.500 4.060 3.562 5.669 . 0 0 "[ . 1]" 1
2523 3 58 VAL QG 3 77 ARG HA 3.500 . 4.200 3.376 2.603 4.180 . 0 0 "[ . 1]" 1
2524 3 58 VAL QG 3 77 ARG QB 3.500 . 4.200 3.180 2.057 4.140 . 0 0 "[ . 1]" 1
2525 3 58 VAL QG 3 77 ARG HE 5.500 . 6.500 4.674 2.848 6.481 . 0 0 "[ . 1]" 1
2526 3 58 VAL QG 3 77 ARG QG 5.500 . 6.500 2.812 1.890 3.772 . 0 0 "[ . 1]" 1
2527 3 58 VAL QG 3 77 ARG H 5.500 . 6.500 4.512 3.659 5.239 . 0 0 "[ . 1]" 1
2528 3 58 VAL H 3 58 VAL HB 3.300 . 3.800 2.654 2.188 3.645 . 0 0 "[ . 1]" 1
2529 3 58 VAL H 3 58 VAL QG 3.500 . 4.200 2.316 1.938 2.816 . 0 0 "[ . 1]" 1
2530 3 58 VAL H 3 59 ASP H 3.300 . 3.800 2.587 2.454 2.691 . 0 0 "[ . 1]" 1
2531 3 58 VAL H 3 60 GLU H 4.500 . 5.250 4.347 4.228 4.445 . 0 0 "[ . 1]" 1
2532 3 59 ASP HA 3 60 GLU H 4.500 . 5.250 3.581 3.535 3.599 . 0 0 "[ . 1]" 1
2533 3 59 ASP HA 3 62 VAL H 5.500 . 6.500 3.875 3.664 4.482 . 0 0 "[ . 1]" 1
2534 3 59 ASP QB 3 60 GLU H 3.500 . 4.200 2.387 2.338 2.457 . 0 0 "[ . 1]" 1
2535 3 59 ASP H 3 59 ASP QB 3.500 . 4.200 2.345 2.260 2.434 . 0 0 "[ . 1]" 1
2536 3 59 ASP H 3 60 GLU H 3.300 . 3.800 2.768 2.313 2.909 . 0 0 "[ . 1]" 1
2537 3 60 GLU HA 3 61 VAL H 4.500 . 5.250 3.520 3.504 3.537 . 0 0 "[ . 1]" 1
2538 3 60 GLU HA 3 63 LYS H 5.500 . 6.500 3.347 3.132 3.533 . 0 0 "[ . 1]" 1
2539 3 60 GLU QB 3 61 VAL HA 4.500 . 5.250 4.020 3.821 4.349 . 0 0 "[ . 1]" 1
2540 3 60 GLU QB 3 61 VAL H 3.500 . 4.200 2.835 2.478 3.505 . 0 0 "[ . 1]" 1
2541 3 60 GLU QG 3 61 VAL HA 5.500 . 6.500 4.570 3.355 5.841 . 0 0 "[ . 1]" 1
2542 3 60 GLU QG 3 61 VAL H 5.500 . 6.500 3.433 1.980 4.456 . 0 0 "[ . 1]" 1
2543 3 60 GLU H 3 60 GLU QB 3.500 . 4.200 2.472 2.254 2.922 . 0 0 "[ . 1]" 1
2544 3 60 GLU H 3 60 GLU QG 4.500 . 5.250 2.772 1.751 4.043 0.049 5 0 "[ . 1]" 1
2545 3 60 GLU H 3 61 VAL H 3.300 . 3.800 2.558 2.525 2.578 . 0 0 "[ . 1]" 1
2546 3 60 GLU H 3 62 VAL H 5.500 . 6.500 4.409 4.259 4.583 . 0 0 "[ . 1]" 1
2547 3 61 VAL HA 3 61 VAL HB 2.800 . 3.100 2.975 2.579 3.032 . 0 0 "[ . 1]" 1
2548 3 61 VAL HA 3 61 VAL QG 2.800 . 3.100 2.089 2.056 2.127 . 0 0 "[ . 1]" 1
2549 3 61 VAL HA 3 62 VAL HA 4.500 . 5.250 4.666 4.425 4.748 . 0 0 "[ . 1]" 1
2550 3 61 VAL HA 3 62 VAL QG 5.500 . 6.500 4.651 4.219 4.855 . 0 0 "[ . 1]" 1
2551 3 61 VAL HA 3 62 VAL H 5.500 . 6.500 3.513 2.909 3.594 . 0 0 "[ . 1]" 1
2552 3 61 VAL HA 3 63 LYS H 5.500 . 6.500 4.568 4.254 4.750 . 0 0 "[ . 1]" 1
2553 3 61 VAL HA 3 64 THR MG 4.500 . 5.250 4.485 2.810 5.232 . 0 0 "[ . 1]" 1
2554 3 61 VAL HA 3 64 THR H 5.500 . 6.500 4.143 3.560 4.724 . 0 0 "[ . 1]" 1
2555 3 61 VAL HA 3 66 HIS HE1 2.800 . 3.100 2.346 2.217 2.916 . 0 0 "[ . 1]" 1
2556 3 61 VAL HB 3 62 VAL QG 4.500 . 5.250 3.556 2.942 4.938 . 0 0 "[ . 1]" 1
2557 3 61 VAL HB 3 62 VAL H 3.300 . 3.800 2.760 2.362 4.020 0.220 6 0 "[ . 1]" 1
2558 3 61 VAL HB 3 66 HIS HE1 4.500 . 5.250 4.896 4.279 5.193 . 0 0 "[ . 1]" 1
2559 3 61 VAL QG 3 62 VAL H 3.500 . 4.200 2.892 1.705 3.697 0.095 2 0 "[ . 1]" 1
2560 3 61 VAL QG 3 66 HIS HE1 3.500 . 4.200 2.672 2.121 3.216 . 0 0 "[ . 1]" 1
2561 3 61 VAL QG 3 75 PRO HA 5.500 . 6.500 4.352 3.565 5.022 . 0 0 "[ . 1]" 1
2562 3 61 VAL QG 3 75 PRO QG 5.500 . 6.500 3.318 2.864 3.822 . 0 0 "[ . 1]" 1
2563 3 61 VAL H 3 61 VAL HB 3.300 . 3.800 2.406 2.314 2.547 . 0 0 "[ . 1]" 1
2564 3 61 VAL H 3 61 VAL QG 2.800 . 3.100 2.337 2.158 2.461 . 0 0 "[ . 1]" 1
2565 3 61 VAL H 3 62 VAL QG 3.500 . 4.200 3.974 3.681 4.274 0.074 4 0 "[ . 1]" 1
2566 3 61 VAL H 3 62 VAL H 3.300 . 3.800 2.867 2.772 3.028 . 0 0 "[ . 1]" 1
2567 3 61 VAL H 3 63 LYS H 5.500 . 6.500 4.032 3.818 4.357 . 0 0 "[ . 1]" 1
2568 3 62 VAL HA 3 62 VAL HB 2.800 . 3.100 2.694 2.452 3.035 . 0 0 "[ . 1]" 1
2569 3 62 VAL HA 3 63 LYS H 4.500 . 5.250 3.525 3.485 3.547 . 0 0 "[ . 1]" 1
2570 3 62 VAL HA 3 64 THR H 5.500 . 6.500 3.947 3.263 4.771 . 0 0 "[ . 1]" 1
2571 3 62 VAL HA 3 66 HIS HE1 4.500 . 5.250 5.234 4.865 5.408 0.158 8 0 "[ . 1]" 1
2572 3 62 VAL HB 3 63 LYS H 4.500 . 5.250 3.471 2.596 4.079 . 0 0 "[ . 1]" 1
2573 3 62 VAL QG 3 63 LYS H 3.500 . 4.200 2.529 1.800 3.332 . 0 0 "[ . 1]" 1
2574 3 62 VAL QG 3 75 PRO HA 5.500 . 6.500 4.748 4.058 6.354 . 0 0 "[ . 1]" 1
2575 3 62 VAL QG 3 75 PRO QB 4.500 . 5.250 3.351 2.553 4.665 . 0 0 "[ . 1]" 1
2576 3 62 VAL QG 3 76 LYS HA 3.500 . 4.200 2.379 1.930 3.825 . 0 0 "[ . 1]" 1
2577 3 62 VAL QG 3 76 LYS H 5.500 . 6.500 4.111 3.163 5.911 . 0 0 "[ . 1]" 1
2578 3 62 VAL QG 3 77 ARG H 3.500 . 4.200 2.933 2.371 4.129 . 0 0 "[ . 1]" 1
2579 3 62 VAL H 3 62 VAL QG 3.500 . 4.200 2.090 1.780 3.162 0.020 7 0 "[ . 1]" 1
2580 3 62 VAL H 3 63 LYS H 3.300 . 3.800 2.436 1.830 2.611 . 0 0 "[ . 1]" 1
2581 3 63 LYS HA 3 63 LYS QG 2.800 . 3.100 2.345 2.269 2.583 . 0 0 "[ . 1]" 1
2582 3 63 LYS HA 3 64 THR H 4.500 . 5.250 3.311 3.052 3.579 . 0 0 "[ . 1]" 1
2583 3 63 LYS QB 3 64 THR H 4.500 . 5.250 3.129 2.323 3.726 . 0 0 "[ . 1]" 1
2584 3 63 LYS QG 3 64 THR MG 5.500 . 6.500 5.760 5.079 6.565 0.065 5 0 "[ . 1]" 1
2585 3 63 LYS QG 3 64 THR H 4.500 . 5.250 4.176 3.632 4.457 . 0 0 "[ . 1]" 1
2586 3 63 LYS H 3 63 LYS QB 3.500 . 4.200 2.323 2.187 2.478 . 0 0 "[ . 1]" 1
2587 3 63 LYS H 3 63 LYS QG 4.500 . 5.250 3.551 2.429 4.108 . 0 0 "[ . 1]" 1
2588 3 63 LYS H 3 64 THR H 3.300 . 3.800 2.724 2.498 2.801 . 0 0 "[ . 1]" 1
2589 3 64 THR HA 3 64 THR MG 2.800 . 3.100 2.332 2.214 3.134 0.034 7 0 "[ . 1]" 1
2590 3 64 THR HA 3 65 GLN H 4.500 . 5.250 2.302 2.214 2.441 . 0 0 "[ . 1]" 1
2591 3 64 THR HB 3 65 GLN H 3.300 . 3.800 3.820 3.673 3.927 0.127 7 0 "[ . 1]" 1
2592 3 64 THR HB 3 66 HIS HE1 3.500 . 4.200 3.026 2.373 4.323 0.123 7 0 "[ . 1]" 1
2593 3 64 THR MG 3 65 GLN H 3.500 . 4.200 2.220 2.026 2.719 . 0 0 "[ . 1]" 1
2594 3 64 THR MG 3 66 HIS HD2 4.500 . 5.250 4.774 3.900 5.253 0.003 5 0 "[ . 1]" 1
2595 3 64 THR MG 3 66 HIS HE1 3.500 . 4.200 3.627 1.964 4.218 0.018 9 0 "[ . 1]" 1
2596 3 64 THR H 3 64 THR HB 3.300 . 3.800 2.745 2.580 2.941 . 0 0 "[ . 1]" 1
2597 3 64 THR H 3 64 THR MG 3.500 . 4.200 3.720 2.447 3.950 . 0 0 "[ . 1]" 1
2598 3 64 THR H 3 65 GLN H 5.500 . 6.500 4.519 4.403 4.681 . 0 0 "[ . 1]" 1
2599 3 65 GLN HA 3 65 GLN QG 3.500 . 4.200 2.410 2.175 2.737 . 0 0 "[ . 1]" 1
2600 3 65 GLN HA 3 66 HIS HD2 2.800 . 3.100 2.983 2.711 3.139 0.039 10 0 "[ . 1]" 1
2601 3 65 GLN HA 3 66 HIS H 3.300 . 3.800 2.313 2.214 2.604 . 0 0 "[ . 1]" 1
2602 3 65 GLN QB 3 66 HIS HD2 4.500 . 5.250 4.892 4.617 5.090 . 0 0 "[ . 1]" 1
2603 3 65 GLN QB 3 66 HIS H 5.500 . 6.500 3.582 2.636 4.013 . 0 0 "[ . 1]" 1
2604 3 65 GLN QE 3 67 ILE MD 5.500 . 6.500 3.653 2.210 4.989 . 0 0 "[ . 1]" 1
2605 3 65 GLN QE 3 72 VAL QG 5.500 . 6.500 4.279 3.093 5.202 . 0 0 "[ . 1]" 1
2606 3 65 GLN QG 3 66 HIS H 5.500 . 6.500 2.473 1.728 3.907 0.072 5 0 "[ . 1]" 1
2607 3 65 GLN QG 3 67 ILE MD 3.500 . 4.200 3.124 2.098 4.214 0.014 1 0 "[ . 1]" 1
2608 3 65 GLN QG 3 72 VAL QG 4.500 . 5.250 4.734 3.473 5.333 0.083 5 0 "[ . 1]" 1
2609 3 65 GLN H 3 65 GLN QB 3.500 . 4.200 2.383 2.202 2.542 . 0 0 "[ . 1]" 1
2610 3 65 GLN H 3 65 GLN QG 4.500 . 5.250 4.042 3.887 4.092 . 0 0 "[ . 1]" 1
2611 3 65 GLN H 3 66 HIS H 5.500 . 6.500 4.446 3.485 4.665 . 0 0 "[ . 1]" 1
2612 3 66 HIS HA 3 67 ILE H 3.500 . 3.800 2.312 2.182 2.459 . 0 0 "[ . 1]" 1
2613 3 66 HIS QB 3 67 ILE H 4.500 . 5.250 2.878 2.541 3.180 . 0 0 "[ . 1]" 1
2614 3 66 HIS QB 3 73 ILE MD 4.500 . 5.250 2.229 1.920 2.764 . 0 0 "[ . 1]" 1
2615 3 66 HIS QB 3 73 ILE QG 3.500 . 4.200 3.117 2.004 4.013 . 0 0 "[ . 1]" 1
2616 3 66 HIS QB 3 66 HIS HD2 3.500 . 4.200 2.974 2.753 3.126 . 0 0 "[ . 1]" 1
2617 3 66 HIS HD2 3 73 ILE MD 5.500 . 6.500 3.382 2.253 4.642 . 0 0 "[ . 1]" 1
2618 3 66 HIS HD2 3 73 ILE QG 4.500 . 5.250 3.340 2.433 4.146 . 0 0 "[ . 1]" 1
2619 3 66 HIS HD2 3 73 ILE MG 5.500 . 6.500 5.747 4.908 6.566 0.066 5 0 "[ . 1]" 1
2620 3 66 HIS HD2 3 74 ASP HA 4.500 . 5.250 5.200 4.829 5.355 0.105 2 0 "[ . 1]" 1
2621 3 66 HIS HD2 3 75 PRO QB 3.500 . 4.200 3.993 3.565 4.278 0.078 8 0 "[ . 1]" 1
2622 3 66 HIS HD2 3 75 PRO QD 3.500 . 4.200 3.040 2.805 3.167 . 0 0 "[ . 1]" 1
2623 3 66 HIS HD2 3 75 PRO QG 2.800 . 3.100 2.277 2.116 2.405 . 0 0 "[ . 1]" 1
2624 3 66 HIS QB 3 66 HIS HE1 4.500 . 5.250 4.410 4.370 4.482 . 0 0 "[ . 1]" 1
2625 3 66 HIS HE1 3 73 ILE MD 5.500 . 6.500 5.513 4.855 6.147 . 0 0 "[ . 1]" 1
2626 3 66 HIS HE1 3 75 PRO QG 5.500 . 6.500 3.969 3.692 4.380 . 0 0 "[ . 1]" 1
2627 3 66 HIS H 3 66 HIS HD2 4.500 . 5.250 2.206 1.760 3.510 0.040 2 0 "[ . 1]" 1
2628 3 66 HIS H 3 67 ILE H 5.500 . 6.500 4.436 4.196 4.691 . 0 0 "[ . 1]" 1
2629 3 66 HIS H 3 72 VAL QG 5.500 . 6.500 6.191 5.377 6.616 0.116 10 0 "[ . 1]" 1
2630 3 67 ILE HA 3 67 ILE MG 3.500 . 4.200 2.162 2.108 2.341 . 0 0 "[ . 1]" 1
2631 3 67 ILE HA 3 68 LEU H 2.800 . 3.100 2.281 2.194 2.445 . 0 0 "[ . 1]" 1
2632 3 67 ILE HA 3 73 ILE H 4.500 . 5.250 3.762 3.123 4.206 . 0 0 "[ . 1]" 1
2633 3 67 ILE MD 3 68 LEU H 5.500 . 6.500 5.092 4.199 5.634 . 0 0 "[ . 1]" 1
2634 3 67 ILE MD 3 72 VAL HA 4.500 . 5.250 4.835 3.058 5.305 0.055 6 0 "[ . 1]" 1
2635 3 67 ILE MG 3 68 LEU H 3.500 . 4.200 3.643 3.109 3.948 . 0 0 "[ . 1]" 1
2636 3 67 ILE MG 3 69 ASP H 5.500 . 6.500 4.248 3.520 4.948 . 0 0 "[ . 1]" 1
2637 3 67 ILE MG 3 70 GLY QA 4.500 . 5.250 2.107 1.956 2.607 . 0 0 "[ . 1]" 1
2638 3 67 ILE MG 3 70 GLY H 3.500 . 4.200 2.863 2.122 3.485 . 0 0 "[ . 1]" 1
2639 3 67 ILE MG 3 71 LYS HA 5.500 . 6.500 4.137 3.658 5.224 . 0 0 "[ . 1]" 1
2640 3 67 ILE MG 3 71 LYS H 3.500 . 4.200 2.834 2.156 3.637 . 0 0 "[ . 1]" 1
2641 3 67 ILE MG 3 72 VAL HA 4.500 . 5.250 3.257 2.462 4.296 . 0 0 "[ . 1]" 1
2642 3 67 ILE MG 3 72 VAL HB 5.500 . 6.500 5.306 3.881 6.255 . 0 0 "[ . 1]" 1
2643 3 67 ILE MG 3 72 VAL H 5.500 . 6.500 4.178 3.229 4.972 . 0 0 "[ . 1]" 1
2644 3 67 ILE MG 3 73 ILE H 5.500 . 6.500 3.769 3.206 4.794 . 0 0 "[ . 1]" 1
2645 3 67 ILE H 3 67 ILE HB 3.300 . 3.800 3.320 2.964 3.740 . 0 0 "[ . 1]" 1
2646 3 67 ILE H 3 67 ILE MD 3.500 . 4.200 3.401 2.336 4.342 0.142 5 0 "[ . 1]" 1
2647 3 67 ILE H 3 67 ILE QG 4.500 . 5.250 2.217 1.931 2.968 . 0 0 "[ . 1]" 1
2648 3 67 ILE H 3 67 ILE MG 4.500 . 5.250 3.812 3.491 3.978 . 0 0 "[ . 1]" 1
2649 3 67 ILE H 3 68 LEU H 5.500 . 6.500 3.789 3.290 4.197 . 0 0 "[ . 1]" 1
2650 3 67 ILE H 3 73 ILE MD 5.500 . 6.500 3.915 3.430 4.459 . 0 0 "[ . 1]" 1
2651 3 68 LEU HA 3 68 LEU QD 3.500 . 4.200 2.163 1.900 2.644 . 0 0 "[ . 1]" 1
2652 3 68 LEU HA 3 68 LEU HG 3.500 . 3.800 3.027 2.287 3.626 . 0 0 "[ . 1]" 1
2653 3 68 LEU HA 3 69 ASP H 3.300 . 3.800 3.582 3.567 3.596 . 0 0 "[ . 1]" 1
2654 3 68 LEU HA 3 73 ILE MD 5.500 . 6.500 4.292 3.709 5.272 . 0 0 "[ . 1]" 1
2655 3 68 LEU QD 3 69 ASP HA 5.500 . 6.500 4.237 3.329 5.272 . 0 0 "[ . 1]" 1
2656 3 68 LEU QD 3 69 ASP QB 5.500 . 6.500 3.843 3.053 4.786 . 0 0 "[ . 1]" 1
2657 3 68 LEU QD 3 69 ASP H 3.500 . 4.200 3.353 2.886 3.687 . 0 0 "[ . 1]" 1
2658 3 68 LEU QD 3 73 ILE MG 3.500 . 4.200 3.180 2.182 4.070 . 0 0 "[ . 1]" 1
2659 3 68 LEU HG 3 69 ASP H 4.500 . 5.250 4.035 3.200 4.791 . 0 0 "[ . 1]" 1
2660 3 68 LEU HG 3 70 GLY H 5.500 . 6.500 5.753 4.808 6.509 0.009 6 0 "[ . 1]" 1
2661 3 68 LEU H 3 68 LEU QD 4.500 . 5.250 2.960 1.793 3.678 0.007 6 0 "[ . 1]" 1
2662 3 68 LEU H 3 68 LEU HG 4.500 . 5.250 4.065 1.881 4.500 . 0 0 "[ . 1]" 1
2663 3 68 LEU H 3 69 ASP H 5.500 . 6.500 3.085 2.792 3.292 . 0 0 "[ . 1]" 1
2664 3 68 LEU H 3 71 LYS H 4.500 . 5.250 4.324 3.836 4.834 . 0 0 "[ . 1]" 1
2665 3 68 LEU H 3 73 ILE MG 4.500 . 5.250 2.752 1.944 3.406 . 0 0 "[ . 1]" 1
2666 3 68 LEU H 3 73 ILE H 4.500 . 5.250 4.699 3.985 5.258 0.008 9 0 "[ . 1]" 1
2667 3 69 ASP HA 3 70 GLY QA 4.500 . 5.250 4.181 4.106 4.263 . 0 0 "[ . 1]" 1
2668 3 69 ASP HA 3 70 GLY H 3.300 . 3.800 3.202 3.019 3.572 . 0 0 "[ . 1]" 1
2669 3 69 ASP QB 3 73 ILE MG 5.500 . 6.500 5.049 4.318 6.514 0.014 6 0 "[ . 1]" 1
2670 3 69 ASP H 3 70 GLY QA 5.500 . 6.500 4.301 4.141 4.466 . 0 0 "[ . 1]" 1
2671 3 69 ASP H 3 70 GLY H 3.300 . 3.800 2.400 2.257 2.579 . 0 0 "[ . 1]" 1
2672 3 69 ASP H 3 71 LYS H 5.500 . 6.500 2.990 2.535 3.497 . 0 0 "[ . 1]" 1
2673 3 70 GLY QA 3 71 LYS QB 4.500 . 5.250 4.489 4.322 4.741 . 0 0 "[ . 1]" 1
2674 3 70 GLY QA 3 71 LYS QE 4.500 . 5.250 5.122 4.672 5.327 0.077 5 0 "[ . 1]" 1
2675 3 70 GLY QA 3 71 LYS QG 5.500 . 6.500 4.971 3.973 5.650 . 0 0 "[ . 1]" 1
2676 3 70 GLY QA 3 71 LYS H 4.500 . 5.250 2.880 2.786 2.928 . 0 0 "[ . 1]" 1
2677 3 70 GLY H 3 71 LYS H 3.300 . 3.800 2.228 1.760 2.339 0.040 5 0 "[ . 1]" 1
2678 3 71 LYS HA 3 71 LYS QD 3.500 . 4.200 2.823 2.179 3.618 . 0 0 "[ . 1]" 1
2679 3 71 LYS HA 3 71 LYS QE 3.500 . 4.200 2.746 2.013 4.060 . 0 0 "[ . 1]" 1
2680 3 71 LYS HA 3 71 LYS QG 3.500 . 4.200 2.426 2.206 2.844 . 0 0 "[ . 1]" 1
2681 3 71 LYS HA 3 72 VAL H 3.500 . 4.200 3.227 2.735 3.574 . 0 0 "[ . 1]" 1
2682 3 71 LYS QB 3 71 LYS QE 3.500 . 4.200 3.219 2.221 3.823 . 0 0 "[ . 1]" 1
2683 3 71 LYS QB 3 72 VAL H 3.500 . 4.200 1.890 1.764 2.180 0.036 1 0 "[ . 1]" 1
2684 3 71 LYS QB 3 73 ILE MG 5.500 . 6.500 3.364 2.827 3.940 . 0 0 "[ . 1]" 1
2685 3 71 LYS QE 3 123 LYS QB 4.500 . 5.250 4.032 1.919 5.042 . 0 0 "[ . 1]" 1
2686 3 71 LYS QE 3 123 LYS QG 2.800 . 3.100 3.040 2.541 3.253 0.153 5 0 "[ . 1]" 1
2687 3 71 LYS H 3 71 LYS QB 3.500 . 4.200 2.339 2.120 2.502 . 0 0 "[ . 1]" 1
2688 3 71 LYS H 3 72 VAL H 5.500 . 6.500 3.642 2.809 4.539 . 0 0 "[ . 1]" 1
2689 3 72 VAL HA 3 72 VAL HB 2.800 . 3.100 2.796 2.367 3.023 . 0 0 "[ . 1]" 1
2690 3 72 VAL HA 3 73 ILE H 3.300 . 3.800 2.241 2.152 2.295 . 0 0 "[ . 1]" 1
2691 3 72 VAL HB 3 73 ILE H 5.500 . 6.500 4.304 3.757 4.609 . 0 0 "[ . 1]" 1
2692 3 72 VAL QG 3 121 LEU QD 4.500 . 5.200 4.091 2.170 5.424 0.224 8 0 "[ . 1]" 1
2693 3 72 VAL QG 3 123 LYS HA 5.500 . 6.500 6.181 4.496 6.659 0.159 5 0 "[ . 1]" 1
2694 3 72 VAL QG 3 123 LYS QB 5.500 . 6.500 4.829 3.732 6.560 0.060 2 0 "[ . 1]" 1
2695 3 72 VAL QG 3 73 ILE H 3.500 . 4.200 3.265 2.579 3.705 . 0 0 "[ . 1]" 1
2696 3 72 VAL QG 3 74 ASP HA 5.500 . 6.500 5.030 4.179 6.105 . 0 0 "[ . 1]" 1
2697 3 72 VAL H 3 72 VAL HB 3.300 . 3.800 3.304 2.493 3.945 0.145 8 0 "[ . 1]" 1
2698 3 72 VAL H 3 72 VAL QG 3.500 . 4.200 2.582 1.901 3.419 . 0 0 "[ . 1]" 1
2699 3 72 VAL H 3 73 ILE H 4.500 . 5.250 3.676 3.015 4.045 . 0 0 "[ . 1]" 1
2700 3 73 ILE HA 3 73 ILE MD 4.500 . 5.250 4.112 4.093 4.125 . 0 0 "[ . 1]" 1
2701 3 73 ILE HA 3 73 ILE MG 3.500 . 4.200 2.349 2.268 2.386 . 0 0 "[ . 1]" 1
2702 3 73 ILE HA 3 74 ASP HA 5.500 . 6.500 4.464 4.441 4.509 . 0 0 "[ . 1]" 1
2703 3 73 ILE HA 3 74 ASP H 3.300 . 3.800 2.313 2.215 2.419 . 0 0 "[ . 1]" 1
2704 3 73 ILE HB 3 73 ILE MD 3.500 . 4.200 2.285 2.253 2.313 . 0 0 "[ . 1]" 1
2705 3 73 ILE HB 3 74 ASP H 3.300 . 3.800 2.848 2.649 3.129 . 0 0 "[ . 1]" 1
2706 3 73 ILE HB 3 75 PRO HA 5.500 . 6.500 5.451 5.290 5.718 . 0 0 "[ . 1]" 1
2707 3 73 ILE MD 3 74 ASP H 4.500 . 5.250 4.547 4.349 4.835 . 0 0 "[ . 1]" 1
2708 3 73 ILE MD 3 75 PRO HA 5.500 . 6.500 5.231 4.973 5.425 . 0 0 "[ . 1]" 1
2709 3 73 ILE QG 3 75 PRO HA 4.500 . 5.250 5.176 4.960 5.289 0.039 4 0 "[ . 1]" 1
2710 3 73 ILE MD 3 73 ILE MG 2.800 . 3.100 1.994 1.838 2.114 . 0 0 "[ . 1]" 1
2711 3 73 ILE MG 3 74 ASP H 4.500 . 5.250 3.973 3.872 4.045 . 0 0 "[ . 1]" 1
2712 3 73 ILE H 3 73 ILE MD 4.500 . 5.250 3.707 3.624 3.944 . 0 0 "[ . 1]" 1
2713 3 73 ILE H 3 73 ILE QG 4.500 . 5.250 2.062 1.944 2.269 . 0 0 "[ . 1]" 1
2714 3 73 ILE H 3 73 ILE MG 3.500 . 4.200 2.526 2.208 2.846 . 0 0 "[ . 1]" 1
2715 3 73 ILE H 3 74 ASP QB 5.500 . 6.500 5.719 5.005 6.203 . 0 0 "[ . 1]" 1
2716 3 74 ASP HA 3 75 PRO QD 3.500 . 4.200 2.056 2.044 2.068 . 0 0 "[ . 1]" 1
2717 3 74 ASP HA 3 75 PRO QG 3.500 . 4.200 3.978 3.967 3.994 . 0 0 "[ . 1]" 1
2718 3 74 ASP H 3 75 PRO QD 5.500 . 6.500 3.745 3.580 4.011 . 0 0 "[ . 1]" 1
2719 3 75 PRO HA 3 76 LYS H 3.300 . 3.800 2.238 2.216 2.266 . 0 0 "[ . 1]" 1
2720 3 75 PRO QB 3 76 LYS H 5.500 . 6.500 3.337 3.195 3.464 . 0 0 "[ . 1]" 1
2721 3 76 LYS HA 3 77 ARG H 3.300 . 3.800 2.326 2.231 2.492 . 0 0 "[ . 1]" 1
2722 3 76 LYS QB 3 76 LYS QE 2.800 . 3.100 2.393 2.094 3.181 0.081 3 0 "[ . 1]" 1
2723 3 76 LYS QE 3 77 ARG H 5.500 . 6.500 5.135 4.011 6.294 . 0 0 "[ . 1]" 1
2724 3 76 LYS H 3 76 LYS QE 5.500 . 6.500 5.016 4.282 5.271 . 0 0 "[ . 1]" 1
2725 3 77 ARG HA 3 77 ARG QD 3.500 . 4.200 4.031 3.954 4.256 0.056 4 0 "[ . 1]" 1
2726 3 77 ARG HA 3 77 ARG QG 2.800 . 3.100 2.437 2.289 3.269 0.169 4 0 "[ . 1]" 1
2727 3 77 ARG HA 3 78 ALA H 3.300 . 3.800 2.347 2.300 2.398 . 0 0 "[ . 1]" 1
2728 3 77 ARG QB 3 77 ARG QD 2.800 . 3.100 2.248 2.129 2.360 . 0 0 "[ . 1]" 1
2729 3 77 ARG QB 3 78 ALA H 3.500 . 4.200 3.269 2.807 3.598 . 0 0 "[ . 1]" 1
2730 3 77 ARG H 3 77 ARG QB 3.500 . 4.200 2.324 2.241 2.553 . 0 0 "[ . 1]" 1
2731 3 77 ARG H 3 77 ARG QD 5.500 . 6.500 4.269 2.956 4.778 . 0 0 "[ . 1]" 1
2732 3 77 ARG H 3 77 ARG QG 3.500 . 4.200 3.435 2.078 3.992 . 0 0 "[ . 1]" 1
2733 3 77 ARG H 3 78 ALA H 5.500 . 6.500 4.691 4.641 4.710 . 0 0 "[ . 1]" 1
2734 3 78 ALA HA 3 79 ILE MD 5.500 . 6.500 4.807 3.617 5.391 . 0 0 "[ . 1]" 1
2735 3 78 ALA HA 3 79 ILE H 4.500 . 5.250 2.221 2.162 2.256 . 0 0 "[ . 1]" 1
2736 3 78 ALA MB 3 79 ILE H 4.500 . 5.250 3.128 2.878 3.533 . 0 0 "[ . 1]" 1
2737 3 79 ILE HA 3 79 ILE MD 4.500 . 5.250 3.779 3.681 3.879 . 0 0 "[ . 1]" 1
2738 3 79 ILE HA 3 79 ILE MG 3.500 . 4.200 2.398 2.301 2.515 . 0 0 "[ . 1]" 1
2739 3 79 ILE HA 3 80 PRO QD 3.500 . 4.200 2.056 2.031 2.105 . 0 0 "[ . 1]" 1
2740 3 79 ILE HB 3 79 ILE MD 2.800 . 3.100 2.265 2.135 2.419 . 0 0 "[ . 1]" 1
2741 3 79 ILE HB 3 80 PRO QD 5.500 . 6.500 4.212 3.927 4.403 . 0 0 "[ . 1]" 1
2742 3 79 ILE HB 3 83 GLU H 5.500 . 6.500 6.424 6.192 6.517 0.017 8 0 "[ . 1]" 1
2743 3 79 ILE HB 3 84 GLN HA 5.500 . 6.500 4.620 3.749 5.482 . 0 0 "[ . 1]" 1
2744 3 79 ILE MD 3 80 PRO QD 5.500 . 6.500 4.688 4.418 5.085 . 0 0 "[ . 1]" 1
2745 3 79 ILE MD 3 84 GLN HA 5.500 . 6.500 4.206 3.555 4.871 . 0 0 "[ . 1]" 1
2746 3 79 ILE MD 3 84 GLN QE 5.500 . 6.500 3.459 1.769 5.757 0.031 3 0 "[ . 1]" 1
2747 3 79 ILE MD 3 84 GLN QG 5.500 . 6.500 4.126 3.183 4.890 . 0 0 "[ . 1]" 1
2748 3 79 ILE MD 3 87 THR MG 3.500 . 4.200 4.034 3.553 4.371 0.171 8 0 "[ . 1]" 1
2749 3 79 ILE MD 3 79 ILE MG 2.800 . 3.100 2.066 1.800 2.670 0.000 10 0 "[ . 1]" 1
2750 3 79 ILE MG 3 80 PRO QD 3.500 . 4.200 2.513 2.005 3.244 . 0 0 "[ . 1]" 1
2751 3 79 ILE MG 3 83 GLU HA 5.500 . 6.500 4.298 3.742 4.754 . 0 0 "[ . 1]" 1
2752 3 79 ILE MG 3 83 GLU QG 5.500 . 6.500 3.182 2.314 4.175 . 0 0 "[ . 1]" 1
2753 3 79 ILE MG 3 83 GLU H 4.500 . 5.250 3.878 3.617 4.148 . 0 0 "[ . 1]" 1
2754 3 79 ILE MG 3 84 GLN HA 3.500 . 4.200 2.963 2.136 3.540 . 0 0 "[ . 1]" 1
2755 3 79 ILE MG 3 84 GLN QE 5.500 . 6.500 3.472 2.187 4.818 . 0 0 "[ . 1]" 1
2756 3 79 ILE MG 3 84 GLN QG 3.500 . 4.200 3.561 2.315 4.203 0.003 4 0 "[ . 1]" 1
2757 3 79 ILE MG 3 84 GLN H 4.500 . 5.250 2.783 2.271 3.269 . 0 0 "[ . 1]" 1
2758 3 79 ILE H 3 79 ILE MD 5.500 . 6.500 3.832 2.850 4.562 . 0 0 "[ . 1]" 1
2759 3 80 PRO HA 3 81 ARG QB 5.500 . 6.500 4.386 4.180 4.779 . 0 0 "[ . 1]" 1
2760 3 80 PRO HA 3 81 ARG H 3.300 . 3.800 2.293 2.221 2.400 . 0 0 "[ . 1]" 1
2761 3 80 PRO HA 3 82 ASP H 5.500 . 6.500 4.298 3.944 4.657 . 0 0 "[ . 1]" 1
2762 3 80 PRO QB 3 81 ARG H 4.500 . 5.250 3.028 2.788 3.308 . 0 0 "[ . 1]" 1
2763 3 80 PRO QD 3 83 GLU QB 4.500 . 5.250 2.795 2.331 3.525 . 0 0 "[ . 1]" 1
2764 3 81 ARG HA 3 81 ARG QD 3.500 . 4.200 2.377 2.163 3.791 . 0 0 "[ . 1]" 1
2765 3 81 ARG HA 3 81 ARG QG 2.800 . 3.100 2.573 2.259 3.110 0.010 3 0 "[ . 1]" 1
2766 3 81 ARG HA 3 82 ASP H 4.500 . 5.250 3.568 3.512 3.595 . 0 0 "[ . 1]" 1
2767 3 81 ARG HA 3 83 GLU H 5.500 . 6.500 4.379 4.066 4.544 . 0 0 "[ . 1]" 1
2768 3 81 ARG HA 3 84 GLN QE 5.500 . 6.500 4.232 2.384 6.176 . 0 0 "[ . 1]" 1
2769 3 81 ARG HA 3 84 GLN QG 4.500 . 5.250 4.000 2.060 4.864 . 0 0 "[ . 1]" 1
2770 3 81 ARG HA 3 84 GLN H 5.500 . 6.500 3.273 2.788 3.545 . 0 0 "[ . 1]" 1
2771 3 81 ARG QB 3 82 ASP H 3.500 . 4.200 2.580 2.230 2.959 . 0 0 "[ . 1]" 1
2772 3 81 ARG QB 3 83 GLU H 4.500 . 5.250 4.720 4.537 4.903 . 0 0 "[ . 1]" 1
2773 3 81 ARG QD 3 82 ASP H 5.500 . 6.500 4.640 3.115 4.993 . 0 0 "[ . 1]" 1
2774 3 81 ARG QD 3 83 GLU QB 5.500 . 6.500 6.483 6.118 6.589 0.089 5 0 "[ . 1]" 1
2775 3 81 ARG QB 3 81 ARG HE 3.500 . 4.200 3.733 2.732 4.304 0.104 4 0 "[ . 1]" 1
2776 3 81 ARG HE 3 81 ARG QG 3.500 . 4.200 2.513 2.146 3.032 . 0 0 "[ . 1]" 1
2777 3 81 ARG HE 3 84 GLN QB 4.500 . 5.250 4.541 2.949 5.285 0.035 6 0 "[ . 1]" 1
2778 3 81 ARG QG 3 82 ASP H 4.500 . 5.250 4.040 3.519 4.497 . 0 0 "[ . 1]" 1
2779 3 81 ARG H 3 81 ARG QB 3.500 . 4.200 2.315 2.068 2.663 . 0 0 "[ . 1]" 1
2780 3 81 ARG H 3 81 ARG QD 5.500 . 6.500 3.900 3.001 4.334 . 0 0 "[ . 1]" 1
2781 3 81 ARG H 3 81 ARG QG 4.500 . 5.250 3.024 1.775 4.075 0.025 3 0 "[ . 1]" 1
2782 3 81 ARG H 3 82 ASP H 4.500 . 5.250 2.846 2.772 3.012 . 0 0 "[ . 1]" 1
2783 3 82 ASP HA 3 85 ASP QB 2.800 . 3.100 3.037 2.793 3.139 0.039 7 0 "[ . 1]" 1
2784 3 82 ASP HA 3 85 ASP H 5.500 . 6.500 3.607 3.434 3.762 . 0 0 "[ . 1]" 1
2785 3 82 ASP QB 3 83 GLU H 4.500 . 5.250 2.689 2.446 3.425 . 0 0 "[ . 1]" 1
2786 3 82 ASP H 3 82 ASP QB 3.500 . 4.200 2.392 2.265 2.476 . 0 0 "[ . 1]" 1
2787 3 82 ASP H 3 83 GLU H 3.300 . 3.800 2.755 2.698 2.846 . 0 0 "[ . 1]" 1
2788 3 82 ASP H 3 84 GLN H 5.500 . 6.500 4.113 3.965 4.235 . 0 0 "[ . 1]" 1
2789 3 83 GLU HA 3 83 GLU QG 2.800 . 3.100 2.516 2.279 2.811 . 0 0 "[ . 1]" 1
2790 3 83 GLU HA 3 84 GLN H 4.500 . 5.250 3.551 3.536 3.563 . 0 0 "[ . 1]" 1
2791 3 83 GLU HA 3 85 ASP H 4.500 . 5.250 4.323 4.073 4.550 . 0 0 "[ . 1]" 1
2792 3 83 GLU HA 3 86 LYS H 5.500 . 6.500 3.276 3.099 3.545 . 0 0 "[ . 1]" 1
2793 3 83 GLU QB 3 84 GLN H 5.500 . 6.500 2.617 2.545 2.671 . 0 0 "[ . 1]" 1
2794 3 83 GLU H 3 83 GLU QB 3.500 . 4.200 2.322 2.166 2.403 . 0 0 "[ . 1]" 1
2795 3 83 GLU H 3 83 GLU QG 4.500 . 5.250 3.101 2.223 4.064 . 0 0 "[ . 1]" 1
2796 3 83 GLU H 3 84 GLN HA 5.500 . 6.500 5.258 5.157 5.355 . 0 0 "[ . 1]" 1
2797 3 83 GLU H 3 84 GLN H 3.300 . 3.800 2.596 2.463 2.714 . 0 0 "[ . 1]" 1
2798 3 83 GLU H 3 85 ASP H 5.500 . 6.500 4.158 4.013 4.305 . 0 0 "[ . 1]" 1
2799 3 84 GLN HA 3 84 GLN QG 3.500 . 4.200 2.519 2.346 2.839 . 0 0 "[ . 1]" 1
2800 3 84 GLN HA 3 85 ASP H 4.500 . 5.250 3.552 3.529 3.571 . 0 0 "[ . 1]" 1
2801 3 84 GLN HA 3 86 LYS H 5.500 . 6.500 4.434 4.262 4.674 . 0 0 "[ . 1]" 1
2802 3 84 GLN HA 3 87 THR MG 3.500 . 4.200 2.866 2.205 3.750 . 0 0 "[ . 1]" 1
2803 3 84 GLN HA 3 87 THR H 5.500 . 6.500 3.864 3.624 4.477 . 0 0 "[ . 1]" 1
2804 3 84 GLN QB 3 85 ASP H 3.500 . 4.200 2.523 2.445 2.654 . 0 0 "[ . 1]" 1
2805 3 84 GLN QG 3 87 THR MG 5.500 . 6.500 4.243 3.101 5.034 . 0 0 "[ . 1]" 1
2806 3 84 GLN H 3 84 GLN QB 3.500 . 4.200 2.284 2.163 2.491 . 0 0 "[ . 1]" 1
2807 3 84 GLN H 3 84 GLN QG 4.500 . 5.250 3.641 2.132 4.094 . 0 0 "[ . 1]" 1
2808 3 84 GLN H 3 85 ASP H 3.300 . 3.800 2.705 2.658 2.759 . 0 0 "[ . 1]" 1
2809 3 85 ASP HA 3 86 LYS H 4.500 . 5.250 3.537 3.465 3.566 . 0 0 "[ . 1]" 1
2810 3 85 ASP QB 3 86 LYS H 5.500 . 6.500 2.637 2.519 2.946 . 0 0 "[ . 1]" 1
2811 3 85 ASP QB 3 87 THR MG 5.500 . 6.500 5.774 5.180 6.334 . 0 0 "[ . 1]" 1
2812 3 85 ASP H 3 85 ASP QB 3.500 . 4.200 2.375 2.267 2.415 . 0 0 "[ . 1]" 1
2813 3 85 ASP H 3 86 LYS H 3.300 . 3.800 2.593 2.336 2.701 . 0 0 "[ . 1]" 1
2814 3 85 ASP H 3 87 THR H 5.500 . 6.500 4.278 3.972 4.900 . 0 0 "[ . 1]" 1
2815 3 86 LYS HA 3 87 THR H 4.500 . 5.250 3.518 3.438 3.587 . 0 0 "[ . 1]" 1
2816 3 86 LYS QB 3 87 THR MG 3.500 . 4.200 3.405 2.878 4.184 . 0 0 "[ . 1]" 1
2817 3 86 LYS QB 3 87 THR H 5.500 . 6.500 2.705 1.989 3.176 . 0 0 "[ . 1]" 1
2818 3 86 LYS H 3 87 THR MG 5.500 . 6.500 4.233 3.772 4.907 . 0 0 "[ . 1]" 1
2819 3 86 LYS H 3 87 THR H 3.300 . 3.800 2.786 2.684 3.067 . 0 0 "[ . 1]" 1
2820 3 87 THR HA 3 136 TYR H 5.500 . 6.500 5.484 4.791 6.525 0.025 8 0 "[ . 1]" 1
2821 3 87 THR HA 3 137 ASP QB 4.500 . 5.250 4.538 3.787 5.311 0.061 7 0 "[ . 1]" 1
2822 3 87 THR HA 3 87 THR HB 2.800 . 3.100 2.507 2.368 2.741 . 0 0 "[ . 1]" 1
2823 3 87 THR HA 3 87 THR MG 3.500 . 4.200 2.327 2.126 2.493 . 0 0 "[ . 1]" 1
2824 3 87 THR HA 3 88 GLY H 3.300 . 3.800 2.670 2.216 3.605 . 0 0 "[ . 1]" 1
2825 3 87 THR HB 3 135 THR MG 3.500 . 4.200 2.863 2.268 3.445 . 0 0 "[ . 1]" 1
2826 3 87 THR HB 3 136 TYR H 5.500 . 6.500 4.853 4.251 6.188 . 0 0 "[ . 1]" 1
2827 3 87 THR HB 3 88 GLY H 3.300 . 3.800 3.107 2.597 3.866 0.066 8 0 "[ . 1]" 1
2828 3 87 THR MG 3 135 THR MG 5.500 . 6.500 3.438 2.756 3.827 . 0 0 "[ . 1]" 1
2829 3 87 THR MG 3 136 TYR HA 5.500 . 6.500 5.989 5.319 6.468 . 0 0 "[ . 1]" 1
2830 3 87 THR MG 3 136 TYR H 5.500 . 6.500 5.654 5.298 6.099 . 0 0 "[ . 1]" 1
2831 3 87 THR MG 3 137 ASP HA 3.500 . 4.200 2.858 2.068 3.667 . 0 0 "[ . 1]" 1
2832 3 87 THR MG 3 137 ASP QB 4.500 . 5.250 3.905 2.840 5.101 . 0 0 "[ . 1]" 1
2833 3 87 THR MG 3 138 SER HA 5.500 . 6.500 5.772 4.702 6.537 0.037 4 0 "[ . 1]" 1
2834 3 87 THR MG 3 88 GLY H 4.500 . 5.250 3.897 3.245 4.208 . 0 0 "[ . 1]" 1
2835 3 87 THR H 3 87 THR HB 3.300 . 3.800 3.650 3.592 3.748 . 0 0 "[ . 1]" 1
2836 3 87 THR H 3 87 THR MG 3.500 . 4.200 2.256 1.879 2.732 . 0 0 "[ . 1]" 1
2837 3 88 GLY QA 3 136 TYR H 5.500 . 6.500 3.875 3.507 4.162 . 0 0 "[ . 1]" 1
2838 3 88 GLY QA 3 139 ALA HA 3.500 . 4.200 3.167 2.357 4.119 . 0 0 "[ . 1]" 1
2839 3 88 GLY QA 3 142 VAL QG 3.500 . 4.200 2.667 2.074 3.368 . 0 0 "[ . 1]" 1
2840 3 88 GLY QA 3 89 LYS H 3.500 . 4.200 2.265 2.205 2.301 . 0 0 "[ . 1]" 1
2841 3 88 GLY H 3 135 THR HA 5.500 . 6.500 4.999 4.519 5.765 . 0 0 "[ . 1]" 1
2842 3 88 GLY H 3 135 THR MG 3.500 . 4.200 3.479 2.952 4.129 . 0 0 "[ . 1]" 1
2843 3 88 GLY H 3 136 TYR QB 5.500 . 6.500 4.550 3.434 6.253 . 0 0 "[ . 1]" 1
2844 3 88 GLY H 3 136 TYR H 5.500 . 6.500 3.901 3.094 5.339 . 0 0 "[ . 1]" 1
2845 3 88 GLY H 3 139 ALA HA 5.500 . 6.500 4.922 3.316 6.296 . 0 0 "[ . 1]" 1
2846 3 88 GLY H 3 142 VAL QG 5.500 . 6.500 4.434 3.750 5.172 . 0 0 "[ . 1]" 1
2847 3 88 GLY H 3 89 LYS HA 5.500 . 6.500 4.909 4.805 5.049 . 0 0 "[ . 1]" 1
2848 3 88 GLY H 3 89 LYS H 4.500 . 5.250 4.184 3.341 4.556 . 0 0 "[ . 1]" 1
2849 3 89 LYS HA 3 134 VAL QG 5.500 . 6.500 4.362 3.368 4.919 . 0 0 "[ . 1]" 1
2850 3 89 LYS HA 3 134 VAL H 5.500 . 6.500 4.452 4.219 4.898 . 0 0 "[ . 1]" 1
2851 3 89 LYS HA 3 135 THR HA 2.800 . 3.100 2.245 2.170 2.310 . 0 0 "[ . 1]" 1
2852 3 89 LYS HA 3 135 THR HB 4.500 . 5.250 4.989 4.875 5.148 . 0 0 "[ . 1]" 1
2853 3 89 LYS HA 3 135 THR MG 4.500 . 5.250 3.094 2.567 3.475 . 0 0 "[ . 1]" 1
2854 3 89 LYS HA 3 136 TYR QB 5.500 . 6.500 5.338 5.190 5.422 . 0 0 "[ . 1]" 1
2855 3 89 LYS HA 3 136 TYR H 5.500 . 6.500 3.394 3.302 3.492 . 0 0 "[ . 1]" 1
2856 3 89 LYS HA 3 142 VAL QG 5.500 . 6.500 3.959 3.144 5.022 . 0 0 "[ . 1]" 1
2857 3 89 LYS HA 3 163 ALA MB 5.500 . 6.500 3.987 3.794 4.211 . 0 0 "[ . 1]" 1
2858 3 89 LYS HA 3 89 LYS QD 3.500 . 4.200 3.634 2.260 3.992 . 0 0 "[ . 1]" 1
2859 3 89 LYS HA 3 89 LYS QG 3.500 . 4.200 2.477 2.124 3.341 . 0 0 "[ . 1]" 1
2860 3 89 LYS HA 3 90 ILE HA 5.500 . 6.500 4.441 4.409 4.463 . 0 0 "[ . 1]" 1
2861 3 89 LYS HA 3 90 ILE MD 5.500 . 6.500 5.235 3.869 6.009 . 0 0 "[ . 1]" 1
2862 3 89 LYS HA 3 90 ILE MG 5.500 . 6.500 3.161 3.051 3.286 . 0 0 "[ . 1]" 1
2863 3 89 LYS HA 3 90 ILE H 3.300 . 3.800 2.193 2.161 2.243 . 0 0 "[ . 1]" 1
2864 3 89 LYS HA 3 91 PHE H 5.500 . 6.500 6.276 6.127 6.409 . 0 0 "[ . 1]" 1
2865 3 89 LYS QB 3 133 PHE QE 5.500 . 6.500 5.191 3.225 6.578 0.078 1 0 "[ . 1]" 1
2866 3 89 LYS QB 3 135 THR HA 3.500 . 4.200 3.567 2.973 4.227 0.027 10 0 "[ . 1]" 1
2867 3 89 LYS QB 3 163 ALA MB 3.500 . 4.200 2.393 2.066 2.709 . 0 0 "[ . 1]" 1
2868 3 89 LYS QB 3 163 ALA H 5.500 . 6.500 4.301 3.764 4.703 . 0 0 "[ . 1]" 1
2869 3 89 LYS QD 3 133 PHE QD 4.500 . 5.250 3.993 2.724 5.337 0.087 6 0 "[ . 1]" 1
2870 3 89 LYS QD 3 135 THR HA 3.500 . 4.200 4.111 2.685 4.318 0.118 1 0 "[ . 1]" 1
2871 3 89 LYS QG 3 133 PHE HA 5.500 . 6.500 4.897 4.096 6.544 0.044 6 0 "[ . 1]" 1
2872 3 89 LYS QG 3 133 PHE QD 4.500 . 5.250 3.065 2.303 3.892 . 0 0 "[ . 1]" 1
2873 3 89 LYS QG 3 133 PHE QE 5.500 . 6.250 4.336 3.193 5.412 . 0 0 "[ . 1]" 1
2874 3 89 LYS QG 3 135 THR HA 4.500 . 5.250 3.291 2.279 4.913 . 0 0 "[ . 1]" 1
2875 3 89 LYS QG 3 163 ALA MB 2.800 . 3.100 2.401 2.026 3.183 0.083 2 0 "[ . 1]" 1
2876 3 89 LYS H 3 142 VAL QG 4.500 . 5.250 3.576 2.614 4.288 . 0 0 "[ . 1]" 1
2877 3 90 ILE HA 3 134 VAL QG 5.500 . 6.500 5.000 4.233 5.791 . 0 0 "[ . 1]" 1
2878 3 90 ILE HA 3 142 VAL QG 5.500 . 6.500 3.877 3.374 4.205 . 0 0 "[ . 1]" 1
2879 3 90 ILE HA 3 160 ILE MG 5.500 . 6.500 4.832 4.418 5.245 . 0 0 "[ . 1]" 1
2880 3 90 ILE HA 3 161 LYS H 5.500 . 6.500 4.967 4.336 5.471 . 0 0 "[ . 1]" 1
2881 3 90 ILE HA 3 162 ARG HA 2.800 . 3.100 2.473 2.179 2.723 . 0 0 "[ . 1]" 1
2882 3 90 ILE HA 3 163 ALA MB 4.500 . 5.250 2.656 2.446 2.914 . 0 0 "[ . 1]" 1
2883 3 90 ILE HA 3 163 ALA H 3.500 . 4.200 1.850 1.751 1.996 0.049 8 0 "[ . 1]" 1
2884 3 90 ILE HA 3 90 ILE HB 2.800 . 3.100 2.287 2.242 2.356 . 0 0 "[ . 1]" 1
2885 3 90 ILE HA 3 90 ILE MG 3.500 . 4.200 2.728 2.515 3.092 . 0 0 "[ . 1]" 1
2886 3 90 ILE HA 3 91 PHE H 3.300 . 3.800 2.270 2.185 2.366 . 0 0 "[ . 1]" 1
2887 3 90 ILE HB 3 134 VAL QG 5.500 . 6.500 4.663 4.022 5.315 . 0 0 "[ . 1]" 1
2888 3 90 ILE HB 3 136 TYR QE 4.500 . 5.250 4.730 4.431 5.298 0.048 8 0 "[ . 1]" 1
2889 3 90 ILE HB 3 90 ILE MD 3.500 . 4.200 2.474 2.309 3.194 . 0 0 "[ . 1]" 1
2890 3 90 ILE HB 3 91 PHE H 3.300 . 3.800 3.171 2.757 3.708 . 0 0 "[ . 1]" 1
2891 3 90 ILE MD 3 104 PHE HZ 5.500 . 6.500 5.631 4.031 6.395 . 0 0 "[ . 1]" 1
2892 3 90 ILE MD 3 108 PHE QD 3.500 . 4.200 3.935 3.501 4.266 0.066 3 0 "[ . 1]" 1
2893 3 90 ILE MD 3 108 PHE QE 5.500 . 6.500 3.175 2.671 3.704 . 0 0 "[ . 1]" 1
2894 3 90 ILE MD 3 108 PHE HZ 4.500 . 5.250 4.687 4.160 5.088 . 0 0 "[ . 1]" 1
2895 3 90 ILE MD 3 134 VAL QG 3.500 . 4.200 2.641 1.930 3.127 . 0 0 "[ . 1]" 1
2896 3 90 ILE MD 3 134 VAL H 5.500 . 6.500 4.489 2.494 5.271 . 0 0 "[ . 1]" 1
2897 3 90 ILE MD 3 136 TYR QD 3.500 . 4.200 4.074 3.645 4.250 0.050 5 0 "[ . 1]" 1
2898 3 90 ILE MD 3 136 TYR QE 3.500 . 4.200 2.293 2.185 2.559 . 0 0 "[ . 1]" 1
2899 3 90 ILE MD 3 142 VAL HA 5.500 . 6.500 3.653 2.664 5.017 . 0 0 "[ . 1]" 1
2900 3 90 ILE MD 3 145 VAL QG 3.500 . 4.200 2.357 1.951 3.837 . 0 0 "[ . 1]" 1
2901 3 90 ILE MD 3 161 LYS H 5.500 . 6.500 3.705 3.383 4.477 . 0 0 "[ . 1]" 1
2902 3 90 ILE MD 3 91 PHE H 5.500 . 6.500 4.354 3.581 4.696 . 0 0 "[ . 1]" 1
2903 3 90 ILE MD 3 92 VAL QG 3.500 . 4.200 2.937 2.188 3.943 . 0 0 "[ . 1]" 1
2904 3 90 ILE QG 3 134 VAL QG 4.500 . 5.250 2.523 1.884 3.616 . 0 0 "[ . 1]" 1
2905 3 90 ILE QG 3 134 VAL H 4.500 . 5.250 3.320 2.739 4.431 . 0 0 "[ . 1]" 1
2906 3 90 ILE QG 3 136 TYR QE 3.500 . 4.200 3.459 2.788 4.225 0.025 10 0 "[ . 1]" 1
2907 3 90 ILE QG 3 160 ILE HB 4.500 . 5.250 5.157 4.545 5.286 0.036 10 0 "[ . 1]" 1
2908 3 90 ILE QG 3 160 ILE MD 4.500 . 5.250 3.867 3.142 4.746 . 0 0 "[ . 1]" 1
2909 3 90 ILE QG 3 160 ILE H 5.500 . 6.500 6.503 6.196 6.660 0.160 10 0 "[ . 1]" 1
2910 3 90 ILE QG 3 91 PHE H 5.500 . 6.500 2.969 2.427 3.516 . 0 0 "[ . 1]" 1
2911 3 90 ILE MG 3 134 VAL QG 5.500 . 6.500 3.035 2.079 4.066 . 0 0 "[ . 1]" 1
2912 3 90 ILE MG 3 135 THR HA 5.500 . 6.500 4.039 3.191 4.495 . 0 0 "[ . 1]" 1
2913 3 90 ILE MG 3 142 VAL HA 3.500 . 4.200 2.932 2.622 3.427 . 0 0 "[ . 1]" 1
2914 3 90 ILE MG 3 142 VAL HB 4.500 . 5.250 3.944 2.531 4.454 . 0 0 "[ . 1]" 1
2915 3 90 ILE MG 3 142 VAL QG 2.800 . 3.100 1.977 1.735 3.042 0.065 8 0 "[ . 1]" 1
2916 3 90 ILE MG 3 145 VAL QG 3.500 . 4.200 3.136 2.702 3.737 . 0 0 "[ . 1]" 1
2917 3 90 ILE MG 3 146 CYS H 5.500 . 6.500 5.471 4.558 6.436 . 0 0 "[ . 1]" 1
2918 3 90 ILE MG 3 162 ARG HA 3.500 . 4.200 3.495 2.877 4.260 0.060 10 0 "[ . 1]" 1
2919 3 90 ILE MG 3 163 ALA H 4.500 . 5.250 3.769 3.219 4.401 . 0 0 "[ . 1]" 1
2920 3 90 ILE MD 3 90 ILE MG 2.800 . 3.100 1.865 1.754 1.920 0.046 3 0 "[ . 1]" 1
2921 3 90 ILE MG 3 91 PHE H 3.500 . 4.200 4.208 4.073 4.334 0.134 3 0 "[ . 1]" 1
2922 3 90 ILE H 3 134 VAL H 4.500 . 5.250 3.011 2.673 3.383 . 0 0 "[ . 1]" 1
2923 3 90 ILE H 3 135 THR HA 5.500 . 6.500 3.491 2.916 3.726 . 0 0 "[ . 1]" 1
2924 3 90 ILE H 3 136 TYR H 5.500 . 6.500 4.713 4.104 5.034 . 0 0 "[ . 1]" 1
2925 3 90 ILE H 3 90 ILE MD 4.500 . 5.250 3.753 1.991 4.444 . 0 0 "[ . 1]" 1
2926 3 90 ILE H 3 90 ILE QG 3.500 . 4.200 2.888 2.299 3.756 . 0 0 "[ . 1]" 1
2927 3 90 ILE H 3 90 ILE MG 4.500 . 5.250 2.141 1.838 2.403 . 0 0 "[ . 1]" 1
2928 3 91 PHE HA 3 133 PHE HA 3.500 . 4.200 2.423 2.240 2.578 . 0 0 "[ . 1]" 1
2929 3 91 PHE HA 3 133 PHE QB 4.500 . 5.250 3.988 3.578 4.312 . 0 0 "[ . 1]" 1
2930 3 91 PHE HA 3 133 PHE QD 3.500 . 4.200 3.200 2.273 3.888 . 0 0 "[ . 1]" 1
2931 3 91 PHE HA 3 133 PHE QE 4.500 . 5.250 3.900 3.435 4.532 . 0 0 "[ . 1]" 1
2932 3 91 PHE HA 3 134 VAL H 3.500 . 4.200 3.746 3.530 3.967 . 0 0 "[ . 1]" 1
2933 3 91 PHE HA 3 91 PHE QD 3.500 . 4.200 3.247 3.027 3.434 . 0 0 "[ . 1]" 1
2934 3 91 PHE HA 3 92 VAL QG 5.500 . 6.500 3.503 3.169 4.138 . 0 0 "[ . 1]" 1
2935 3 91 PHE HA 3 92 VAL H 3.300 . 3.800 2.293 2.190 2.491 . 0 0 "[ . 1]" 1
2936 3 91 PHE QB 3 133 PHE QE 4.500 . 5.250 2.876 2.258 3.735 . 0 0 "[ . 1]" 1
2937 3 91 PHE QB 3 161 LYS H 5.500 . 6.500 4.184 3.740 4.574 . 0 0 "[ . 1]" 1
2938 3 91 PHE QB 3 163 ALA HA 5.500 . 6.500 2.476 2.076 3.182 . 0 0 "[ . 1]" 1
2939 3 91 PHE QB 3 164 GLU H 5.500 . 6.500 4.656 3.408 5.364 . 0 0 "[ . 1]" 1
2940 3 91 PHE QD 3 133 PHE QB 4.500 . 5.250 5.257 5.059 5.422 0.172 4 0 "[ . 1]" 1
2941 3 91 PHE QD 3 133 PHE QD 3.500 . 4.200 3.756 3.263 4.010 . 0 0 "[ . 1]" 1
2942 3 91 PHE QD 3 133 PHE QE 2.800 . 3.100 2.678 2.274 3.063 . 0 0 "[ . 1]" 1
2943 3 91 PHE QD 3 161 LYS HA 4.500 . 5.250 4.643 4.161 5.090 . 0 0 "[ . 1]" 1
2944 3 91 PHE QD 3 161 LYS QB 3.500 . 4.200 2.221 2.032 2.658 . 0 0 "[ . 1]" 1
2945 3 91 PHE QD 3 161 LYS H 4.500 . 5.250 3.309 2.744 3.870 . 0 0 "[ . 1]" 1
2946 3 91 PHE QD 3 163 ALA HA 4.500 . 5.250 4.519 4.142 5.231 . 0 0 "[ . 1]" 1
2947 3 91 PHE QD 3 164 GLU H 5.500 . 6.500 6.392 5.042 6.797 0.297 8 0 "[ . 1]" 1
2948 3 91 PHE QD 3 92 VAL H 4.500 . 5.250 3.385 3.012 3.700 . 0 0 "[ . 1]" 1
2949 3 91 PHE QD 3 93 GLY H 5.500 . 6.500 4.223 3.727 4.761 . 0 0 "[ . 1]" 1
2950 3 91 PHE QE 3 131 PHE HA 4.500 . 5.250 4.240 4.082 4.489 . 0 0 "[ . 1]" 1
2951 3 91 PHE QE 3 131 PHE QB 3.500 . 4.200 2.206 1.992 2.426 . 0 0 "[ . 1]" 1
2952 3 91 PHE QE 3 131 PHE QD 3.500 . 4.200 3.171 2.397 3.765 . 0 0 "[ . 1]" 1
2953 3 91 PHE QE 3 131 PHE QE 4.500 . 5.250 4.804 3.692 5.303 0.053 2 0 "[ . 1]" 1
2954 3 91 PHE QE 3 133 PHE QE 4.500 . 5.250 4.010 3.114 4.503 . 0 0 "[ . 1]" 1
2955 3 91 PHE QE 3 161 LYS QB 4.500 . 5.250 3.317 2.236 3.871 . 0 0 "[ . 1]" 1
2956 3 91 PHE QE 3 93 GLY H 5.500 . 6.500 3.594 2.761 4.189 . 0 0 "[ . 1]" 1
2957 3 91 PHE H 3 133 PHE QD 5.500 . 6.500 4.939 4.233 5.812 . 0 0 "[ . 1]" 1
2958 3 91 PHE H 3 133 PHE QE 5.500 . 6.500 5.150 4.443 6.401 . 0 0 "[ . 1]" 1
2959 3 91 PHE H 3 145 VAL QG 5.500 . 6.500 6.289 5.978 6.515 0.015 1 0 "[ . 1]" 1
2960 3 91 PHE H 3 161 LYS HA 5.500 . 6.500 4.950 4.518 5.165 . 0 0 "[ . 1]" 1
2961 3 91 PHE H 3 161 LYS QB 5.500 . 6.500 3.833 3.471 4.097 . 0 0 "[ . 1]" 1
2962 3 91 PHE H 3 162 ARG HA 5.500 . 6.500 3.284 2.882 3.580 . 0 0 "[ . 1]" 1
2963 3 91 PHE H 3 163 ALA MB 5.500 . 6.500 3.318 2.953 3.678 . 0 0 "[ . 1]" 1
2964 3 91 PHE H 3 163 ALA H 5.500 . 6.500 3.140 2.667 3.579 . 0 0 "[ . 1]" 1
2965 3 91 PHE H 3 91 PHE QD 4.500 . 5.250 3.608 3.020 3.993 . 0 0 "[ . 1]" 1
2966 3 91 PHE H 3 92 VAL QG 5.500 . 6.500 4.579 4.329 5.510 . 0 0 "[ . 1]" 1
2967 3 92 VAL HA 3 161 LYS H 5.500 . 6.500 3.388 2.984 3.834 . 0 0 "[ . 1]" 1
2968 3 92 VAL HA 3 93 GLY H 3.300 . 3.800 2.194 2.144 2.237 . 0 0 "[ . 1]" 1
2969 3 92 VAL HB 3 104 PHE QE 3.500 . 4.200 3.157 2.594 4.096 . 0 0 "[ . 1]" 1
2970 3 92 VAL HB 3 104 PHE HZ 3.500 . 4.200 3.507 2.900 4.195 . 0 0 "[ . 1]" 1
2971 3 92 VAL HB 3 108 PHE QD 5.500 . 6.500 6.372 6.006 6.640 0.140 7 0 "[ . 1]" 1
2972 3 92 VAL HB 3 108 PHE QE 4.500 . 5.250 4.721 4.406 4.964 . 0 0 "[ . 1]" 1
2973 3 92 VAL HB 3 133 PHE HA 4.500 . 5.250 4.178 3.391 4.982 . 0 0 "[ . 1]" 1
2974 3 92 VAL QG 3 104 PHE QE 3.500 . 4.200 2.426 2.053 3.053 . 0 0 "[ . 1]" 1
2975 3 92 VAL QG 3 104 PHE HZ 3.500 . 4.200 2.562 2.071 3.536 . 0 0 "[ . 1]" 1
2976 3 92 VAL QG 3 107 PHE HZ 5.500 . 6.500 6.238 5.796 6.528 0.028 5 0 "[ . 1]" 1
2977 3 92 VAL QG 3 108 PHE QD 3.500 . 4.200 3.972 3.727 4.218 0.018 6 0 "[ . 1]" 1
2978 3 92 VAL QG 3 108 PHE QE 3.500 . 4.200 2.665 2.464 2.847 . 0 0 "[ . 1]" 1
2979 3 92 VAL QG 3 118 GLN H 5.500 . 6.500 5.407 5.058 5.716 . 0 0 "[ . 1]" 1
2980 3 92 VAL QG 3 131 PHE HA 5.500 . 6.500 4.190 2.969 5.597 . 0 0 "[ . 1]" 1
2981 3 92 VAL QG 3 132 GLY QA 5.500 . 6.500 3.302 2.444 3.866 . 0 0 "[ . 1]" 1
2982 3 92 VAL QG 3 132 GLY H 4.500 . 5.250 3.576 2.085 4.176 . 0 0 "[ . 1]" 1
2983 3 92 VAL QG 3 133 PHE HA 5.500 . 6.500 3.099 2.596 3.998 . 0 0 "[ . 1]" 1
2984 3 92 VAL QG 3 133 PHE QB 5.500 . 6.500 4.606 4.294 5.176 . 0 0 "[ . 1]" 1
2985 3 92 VAL QG 3 133 PHE H 5.500 . 6.500 3.838 3.414 4.491 . 0 0 "[ . 1]" 1
2986 3 92 VAL QG 3 134 VAL HB 5.500 . 6.500 3.869 2.767 4.482 . 0 0 "[ . 1]" 1
2987 3 92 VAL QG 3 134 VAL QG 3.500 . 4.200 2.176 1.851 3.104 . 0 0 "[ . 1]" 1
2988 3 92 VAL QG 3 134 VAL H 5.500 . 6.500 3.778 3.300 4.514 . 0 0 "[ . 1]" 1
2989 3 92 VAL QG 3 158 ILE HA 4.500 . 5.250 4.438 3.619 5.088 . 0 0 "[ . 1]" 1
2990 3 92 VAL QG 3 158 ILE HB 3.500 . 4.200 2.708 1.990 3.260 . 0 0 "[ . 1]" 1
2991 3 92 VAL QG 3 159 GLU H 5.500 . 6.500 3.804 2.875 4.325 . 0 0 "[ . 1]" 1
2992 3 92 VAL QG 3 161 LYS H 5.500 . 6.500 3.822 3.344 4.204 . 0 0 "[ . 1]" 1
2993 3 92 VAL QG 3 93 GLY H 4.500 . 5.250 2.392 2.053 2.588 . 0 0 "[ . 1]" 1
2994 3 92 VAL H 3 132 GLY H 4.500 . 5.250 2.996 2.685 3.329 . 0 0 "[ . 1]" 1
2995 3 92 VAL H 3 133 PHE HA 5.500 . 6.500 2.959 2.543 3.288 . 0 0 "[ . 1]" 1
2996 3 92 VAL H 3 134 VAL H 5.500 . 6.500 4.822 4.206 5.267 . 0 0 "[ . 1]" 1
2997 3 92 VAL H 3 92 VAL HB 3.300 . 3.800 2.687 2.353 2.962 . 0 0 "[ . 1]" 1
2998 3 92 VAL H 3 92 VAL QG 3.500 . 4.200 2.521 2.104 2.820 . 0 0 "[ . 1]" 1
2999 3 93 GLY QA 3 131 PHE HA 5.500 . 6.500 2.775 2.264 3.790 . 0 0 "[ . 1]" 1
3000 3 93 GLY QA 3 94 GLY H 4.500 . 5.250 2.246 2.211 2.294 . 0 0 "[ . 1]" 1
3001 3 93 GLY H 3 159 GLU H 4.500 . 5.250 3.358 2.708 3.993 . 0 0 "[ . 1]" 1
3002 3 93 GLY H 3 94 GLY H 5.500 . 6.500 4.538 4.509 4.571 . 0 0 "[ . 1]" 1
3003 3 94 GLY QA 3 153 PHE QD 5.500 . 6.500 6.198 5.534 6.651 0.151 10 0 "[ . 1]" 1
3004 3 94 GLY QA 3 95 ILE H 3.500 . 4.200 2.610 2.150 2.932 . 0 0 "[ . 1]" 1
3005 3 94 GLY H 3 132 GLY H 5.500 . 6.500 5.585 5.370 5.851 . 0 0 "[ . 1]" 1
3006 3 94 GLY H 3 95 ILE H 4.500 . 5.250 2.981 2.321 4.262 . 0 0 "[ . 1]" 1
3007 3 95 ILE HA 3 131 PHE HA 5.500 . 6.500 5.635 4.868 6.523 0.023 3 0 "[ . 1]" 1
3008 3 95 ILE HA 3 153 PHE QD 3.500 . 4.200 3.922 2.793 4.340 0.140 2 0 "[ . 1]" 1
3009 3 95 ILE HA 3 158 ILE MD 5.500 . 6.500 4.923 3.772 5.695 . 0 0 "[ . 1]" 1
3010 3 95 ILE HA 3 158 ILE MG 3.500 . 4.200 3.136 2.211 3.763 . 0 0 "[ . 1]" 1
3011 3 95 ILE HA 3 95 ILE MD 4.500 . 5.250 3.138 2.026 4.085 . 0 0 "[ . 1]" 1
3012 3 95 ILE HA 3 95 ILE QG 3.500 . 4.200 2.698 2.154 3.336 . 0 0 "[ . 1]" 1
3013 3 95 ILE HA 3 95 ILE MG 3.500 . 4.200 2.527 2.140 3.141 . 0 0 "[ . 1]" 1
3014 3 95 ILE HA 3 96 GLY H 3.300 . 3.800 2.308 2.195 2.479 . 0 0 "[ . 1]" 1
3015 3 95 ILE HA 3 99 VAL QG 3.500 . 4.200 3.440 2.315 4.030 . 0 0 "[ . 1]" 1
3016 3 95 ILE HB 3 95 ILE MD 3.500 . 4.200 2.556 2.110 3.200 . 0 0 "[ . 1]" 1
3017 3 95 ILE MD 3 104 PHE QD 3.500 . 4.200 2.678 1.996 4.056 . 0 0 "[ . 1]" 1
3018 3 95 ILE MD 3 119 LEU HA 5.500 . 6.500 4.537 3.440 6.139 . 0 0 "[ . 1]" 1
3019 3 95 ILE MD 3 119 LEU QD 2.800 . 3.100 2.526 1.938 3.172 0.072 2 0 "[ . 1]" 1
3020 3 95 ILE MD 3 131 PHE HA 4.500 . 5.250 4.196 2.714 5.380 0.130 7 0 "[ . 1]" 1
3021 3 95 ILE MD 3 153 PHE QD 5.500 . 6.500 4.122 2.336 5.488 . 0 0 "[ . 1]" 1
3022 3 95 ILE MD 3 153 PHE HZ 5.500 . 6.500 4.702 3.067 6.391 . 0 0 "[ . 1]" 1
3023 3 95 ILE MD 3 99 VAL HA 5.500 . 6.500 6.180 4.439 6.575 0.075 1 0 "[ . 1]" 1
3024 3 95 ILE MD 3 99 VAL QG 5.500 . 6.500 2.830 2.173 3.313 . 0 0 "[ . 1]" 1
3025 3 95 ILE QG 3 131 PHE HA 4.500 . 5.250 3.760 2.287 5.361 0.111 1 0 "[ . 1]" 1
3026 3 95 ILE QG 3 99 VAL HB 5.500 . 6.500 4.914 2.708 6.091 . 0 0 "[ . 1]" 1
3027 3 95 ILE MG 3 104 PHE QB 5.500 . 6.500 4.300 3.531 5.829 . 0 0 "[ . 1]" 1
3028 3 95 ILE MG 3 119 LEU QD 5.500 . 6.500 2.767 1.756 4.520 0.044 10 0 "[ . 1]" 1
3029 3 95 ILE MG 3 131 PHE HA 5.500 . 6.500 4.356 2.342 5.279 . 0 0 "[ . 1]" 1
3030 3 95 ILE MG 3 153 PHE QD 5.500 . 6.500 3.805 2.371 4.897 . 0 0 "[ . 1]" 1
3031 3 95 ILE MG 3 153 PHE QE 3.500 . 4.200 3.538 2.728 4.408 0.208 9 0 "[ . 1]" 1
3032 3 95 ILE MG 3 153 PHE HZ 5.500 . 6.500 4.906 3.551 6.231 . 0 0 "[ . 1]" 1
3033 3 95 ILE MD 3 95 ILE MG 3.500 . 4.200 2.200 1.760 3.161 0.040 10 0 "[ . 1]" 1
3034 3 95 ILE MG 3 96 GLY H 3.500 . 4.200 2.894 2.051 3.920 . 0 0 "[ . 1]" 1
3035 3 95 ILE MG 3 99 VAL HB 3.500 . 4.200 3.456 2.214 4.251 0.051 6 0 "[ . 1]" 1
3036 3 95 ILE MG 3 99 VAL QG 5.500 . 6.500 2.638 1.747 3.813 0.053 2 0 "[ . 1]" 1
3037 3 95 ILE H 3 95 ILE MD 4.500 . 5.250 4.045 3.424 4.664 . 0 0 "[ . 1]" 1
3038 3 95 ILE H 3 95 ILE QG 4.500 . 5.250 2.940 1.901 4.342 . 0 0 "[ . 1]" 1
3039 3 95 ILE H 3 95 ILE MG 4.500 . 5.250 3.323 2.625 3.900 . 0 0 "[ . 1]" 1
3040 3 96 GLY QA 3 158 ILE MG 5.500 . 6.500 5.704 4.604 6.539 0.039 9 0 "[ . 1]" 1
3041 3 96 GLY QA 3 99 VAL QG 5.500 . 6.500 3.165 2.007 4.310 . 0 0 "[ . 1]" 1
3042 3 96 GLY H 3 99 VAL QG 4.500 . 5.250 2.542 1.754 3.406 0.046 6 0 "[ . 1]" 1
3043 3 97 PRO HA 3 98 ASP H 3.300 . 3.800 3.430 3.138 3.580 . 0 0 "[ . 1]" 1
3044 3 98 ASP HA 3 99 VAL H 3.300 . 3.800 3.107 2.436 3.557 . 0 0 "[ . 1]" 1
3045 3 98 ASP QB 3 154 LYS QD 4.500 . 5.250 5.154 4.468 5.346 0.096 8 0 "[ . 1]" 1
3046 3 98 ASP QB 3 99 VAL H 4.500 . 5.250 3.502 2.661 4.040 . 0 0 "[ . 1]" 1
3047 3 98 ASP H 3 98 ASP QB 3.500 . 4.200 2.476 2.256 2.719 . 0 0 "[ . 1]" 1
3048 3 98 ASP H 3 99 VAL H 4.500 . 5.250 2.712 1.801 3.231 . 0 0 "[ . 1]" 1
3049 3 99 VAL HA 3 100 ARG H 3.300 . 3.800 2.305 2.158 2.868 . 0 0 "[ . 1]" 1
3050 3 99 VAL HA 3 153 PHE QD 5.500 . 6.500 6.396 5.985 6.603 0.103 1 0 "[ . 1]" 1
3051 3 99 VAL HA 3 153 PHE QE 4.500 . 5.250 4.586 3.978 5.068 . 0 0 "[ . 1]" 1
3052 3 99 VAL HA 3 153 PHE HZ 5.500 . 6.250 5.409 4.923 5.769 . 0 0 "[ . 1]" 1
3053 3 99 VAL HA 3 154 LYS QE 3.500 . 4.200 3.441 2.797 4.178 . 0 0 "[ . 1]" 1
3054 3 99 VAL HA 3 154 LYS QG 5.500 . 6.500 4.935 2.613 6.128 . 0 0 "[ . 1]" 1
3055 3 99 VAL HA 3 99 VAL HB 2.800 . 3.100 2.662 2.345 3.037 . 0 0 "[ . 1]" 1
3056 3 99 VAL HB 3 119 LEU QD 5.500 . 6.500 3.591 2.602 4.336 . 0 0 "[ . 1]" 1
3057 3 99 VAL HB 3 153 PHE QD 4.500 . 5.250 4.731 4.071 5.456 0.206 8 0 "[ . 1]" 1
3058 3 99 VAL HB 3 153 PHE QE 4.500 . 5.250 2.991 2.272 4.069 . 0 0 "[ . 1]" 1
3059 3 99 VAL HB 3 153 PHE HZ 4.500 . 5.250 4.527 3.492 5.309 0.059 8 0 "[ . 1]" 1
3060 3 99 VAL QG 3 100 ARG HA 5.500 . 6.500 3.748 3.245 4.672 . 0 0 "[ . 1]" 1
3061 3 99 VAL QG 3 100 ARG H 3.500 . 4.200 2.605 1.783 3.687 0.017 4 0 "[ . 1]" 1
3062 3 99 VAL QG 3 103 GLU QB 4.500 . 5.250 3.064 2.000 4.315 . 0 0 "[ . 1]" 1
3063 3 99 VAL QG 3 103 GLU QG 4.500 . 5.250 3.767 2.819 4.815 . 0 0 "[ . 1]" 1
3064 3 99 VAL QG 3 104 PHE HA 4.500 . 5.250 4.047 3.098 5.207 . 0 0 "[ . 1]" 1
3065 3 99 VAL QG 3 104 PHE QB 3.500 . 4.200 2.818 2.215 3.724 . 0 0 "[ . 1]" 1
3066 3 99 VAL QG 3 104 PHE QE 5.500 . 6.500 5.079 4.032 6.413 . 0 0 "[ . 1]" 1
3067 3 99 VAL QG 3 104 PHE H 4.500 . 5.250 3.199 2.041 4.519 . 0 0 "[ . 1]" 1
3068 3 99 VAL QG 3 119 LEU QD 3.500 . 4.200 2.368 1.770 3.304 0.030 4 0 "[ . 1]" 1
3069 3 99 VAL QG 3 153 PHE QD 3.500 . 4.200 3.401 2.956 4.020 . 0 0 "[ . 1]" 1
3070 3 99 VAL QG 3 153 PHE QE 3.500 . 4.200 2.103 1.888 2.616 . 0 0 "[ . 1]" 1
3071 3 99 VAL QG 3 153 PHE HZ 3.500 . 4.200 2.721 2.095 4.026 . 0 0 "[ . 1]" 1
3072 3 99 VAL QG 3 154 LYS HA 5.500 . 6.500 5.427 4.025 6.274 . 0 0 "[ . 1]" 1
3073 3 99 VAL QG 3 154 LYS QD 3.500 . 4.200 2.977 2.030 4.220 0.020 5 0 "[ . 1]" 1
3074 3 99 VAL QG 3 154 LYS QE 4.500 . 5.250 2.566 1.808 3.470 . 0 0 "[ . 1]" 1
3075 3 99 VAL H 3 119 LEU QD 5.500 . 6.500 4.129 3.707 4.974 . 0 0 "[ . 1]" 1
3076 3 99 VAL H 3 99 VAL HB 3.300 . 3.800 2.863 2.463 3.690 . 0 0 "[ . 1]" 1
3077 3 99 VAL H 3 99 VAL QG 3.500 . 4.200 2.195 1.841 2.719 . 0 0 "[ . 1]" 1
3078 3 100 ARG HA 3 100 ARG QD 3.500 . 4.200 3.616 2.563 4.192 . 0 0 "[ . 1]" 1
3079 3 100 ARG HA 3 101 PRO QD 4.500 . 5.250 2.169 2.088 2.333 . 0 0 "[ . 1]" 1
3080 3 100 ARG HA 3 119 LEU QD 4.500 . 5.250 3.010 2.016 4.014 . 0 0 "[ . 1]" 1
3081 3 100 ARG HA 3 121 LEU QD 5.500 . 6.500 3.907 2.119 5.034 . 0 0 "[ . 1]" 1
3082 3 100 ARG QB 3 100 ARG QD 2.800 . 3.100 2.207 2.095 2.407 . 0 0 "[ . 1]" 1
3083 3 100 ARG QD 3 102 LYS H 5.500 . 6.500 4.591 3.948 5.417 . 0 0 "[ . 1]" 1
3084 3 100 ARG QD 3 119 LEU QD 5.500 . 6.500 5.404 4.245 6.297 . 0 0 "[ . 1]" 1
3085 3 100 ARG QD 3 121 LEU QD 5.500 . 6.500 5.133 3.324 6.512 0.012 4 0 "[ . 1]" 1
3086 3 100 ARG H 3 100 ARG QB 3.500 . 4.200 2.657 2.211 3.035 . 0 0 "[ . 1]" 1
3087 3 100 ARG H 3 100 ARG QD 5.500 . 6.500 3.696 2.055 4.621 . 0 0 "[ . 1]" 1
3088 3 100 ARG H 3 119 LEU QD 5.500 . 6.500 4.151 3.648 4.644 . 0 0 "[ . 1]" 1
3089 3 101 PRO HA 3 102 LYS H 5.500 . 6.500 3.507 3.468 3.589 . 0 0 "[ . 1]" 1
3090 3 101 PRO HA 3 104 PHE QB 3.500 . 4.200 2.336 2.224 2.637 . 0 0 "[ . 1]" 1
3091 3 101 PRO HA 3 104 PHE QD 3.500 . 4.200 3.550 2.549 4.239 0.039 2 0 "[ . 1]" 1
3092 3 101 PRO HA 3 119 LEU QD 3.500 . 4.200 3.012 2.016 3.937 . 0 0 "[ . 1]" 1
3093 3 101 PRO QB 3 102 LYS H 4.500 . 5.250 3.202 2.140 3.459 . 0 0 "[ . 1]" 1
3094 3 101 PRO QB 3 119 LEU QB 3.500 . 4.200 3.511 2.763 4.277 0.077 7 0 "[ . 1]" 1
3095 3 101 PRO QB 3 119 LEU QD 5.500 . 6.500 3.310 1.977 4.600 . 0 0 "[ . 1]" 1
3096 3 101 PRO QB 3 121 LEU QD 4.500 . 5.250 4.480 3.458 5.251 0.001 4 0 "[ . 1]" 1
3097 3 101 PRO QD 3 104 PHE QB 4.500 . 5.250 4.760 4.257 4.928 . 0 0 "[ . 1]" 1
3098 3 101 PRO QD 3 119 LEU QD 5.500 . 6.500 2.665 2.042 3.480 . 0 0 "[ . 1]" 1
3099 3 101 PRO QD 3 121 LEU QD 5.500 . 6.500 3.077 2.195 4.104 . 0 0 "[ . 1]" 1
3100 3 101 PRO QG 3 102 LYS H 3.500 . 4.200 2.857 2.526 3.991 . 0 0 "[ . 1]" 1
3101 3 101 PRO QG 3 119 LEU QD 5.500 . 6.500 3.791 2.784 4.769 . 0 0 "[ . 1]" 1
3102 3 101 PRO QG 3 121 LEU QD 5.500 . 6.500 3.804 3.027 4.694 . 0 0 "[ . 1]" 1
3103 3 102 LYS HA 3 103 GLU H 5.500 . 6.500 3.585 3.542 3.604 . 0 0 "[ . 1]" 1
3104 3 102 LYS HA 3 105 GLU QB 3.500 . 4.200 3.667 3.321 4.102 . 0 0 "[ . 1]" 1
3105 3 102 LYS HA 3 105 GLU H 4.500 . 5.250 4.518 3.958 4.849 . 0 0 "[ . 1]" 1
3106 3 102 LYS HA 3 106 GLU H 5.500 . 6.500 4.246 3.767 4.508 . 0 0 "[ . 1]" 1
3107 3 102 LYS QB 3 103 GLU H 3.500 . 4.200 2.047 1.782 2.199 0.018 7 0 "[ . 1]" 1
3108 3 102 LYS H 3 102 LYS QB 3.500 . 4.200 2.395 2.261 2.555 . 0 0 "[ . 1]" 1
3109 3 102 LYS H 3 103 GLU H 4.500 . 5.250 3.102 2.775 3.658 . 0 0 "[ . 1]" 1
3110 3 102 LYS H 3 104 PHE H 5.500 . 6.500 4.959 4.010 5.401 . 0 0 "[ . 1]" 1
3111 3 102 LYS H 3 119 LEU QD 5.500 . 6.500 4.939 4.152 5.974 . 0 0 "[ . 1]" 1
3112 3 103 GLU HA 3 104 PHE H 5.500 . 6.500 3.521 3.469 3.577 . 0 0 "[ . 1]" 1
3113 3 103 GLU HA 3 106 GLU QG 3.300 . 3.800 3.814 3.410 3.992 0.192 7 0 "[ . 1]" 1
3114 3 103 GLU HA 3 106 GLU H 4.500 . 5.250 3.430 3.227 3.759 . 0 0 "[ . 1]" 1
3115 3 103 GLU HA 3 107 PHE H 3.500 . 4.200 3.732 3.016 4.185 . 0 0 "[ . 1]" 1
3116 3 103 GLU HA 3 153 PHE HZ 4.500 . 5.250 4.930 4.348 5.348 0.098 9 0 "[ . 1]" 1
3117 3 103 GLU QB 3 104 PHE H 4.500 . 5.250 1.945 1.741 2.532 0.059 1 0 "[ . 1]" 1
3118 3 103 GLU QB 3 153 PHE HZ 3.500 . 4.200 2.574 2.149 3.057 . 0 0 "[ . 1]" 1
3119 3 103 GLU QB 3 154 LYS QD 4.500 . 5.250 4.072 3.294 4.627 . 0 0 "[ . 1]" 1
3120 3 103 GLU QB 3 154 LYS QE 4.500 . 5.250 2.678 2.353 3.118 . 0 0 "[ . 1]" 1
3121 3 103 GLU QG 3 104 PHE H 4.500 . 5.250 3.299 2.446 4.054 . 0 0 "[ . 1]" 1
3122 3 103 GLU QG 3 153 PHE HZ 3.500 . 4.200 3.498 2.114 4.312 0.112 2 0 "[ . 1]" 1
3123 3 103 GLU H 3 103 GLU QB 3.500 . 4.200 2.419 2.208 2.969 . 0 0 "[ . 1]" 1
3124 3 103 GLU H 3 103 GLU QG 3.500 . 4.200 2.991 1.772 4.078 0.028 3 0 "[ . 1]" 1
3125 3 103 GLU H 3 104 PHE H 3.300 . 3.800 3.136 2.774 3.386 . 0 0 "[ . 1]" 1
3126 3 103 GLU H 3 105 GLU H 5.500 . 6.500 4.730 4.662 4.814 . 0 0 "[ . 1]" 1
3127 3 104 PHE HA 3 104 PHE QD 2.800 . 3.100 2.634 2.257 3.015 . 0 0 "[ . 1]" 1
3128 3 104 PHE HA 3 104 PHE QE 5.500 . 6.500 4.521 4.331 4.605 . 0 0 "[ . 1]" 1
3129 3 104 PHE HA 3 105 GLU H 5.500 . 6.500 3.584 3.570 3.603 . 0 0 "[ . 1]" 1
3130 3 104 PHE HA 3 107 PHE H 5.500 . 6.500 3.715 3.554 3.813 . 0 0 "[ . 1]" 1
3131 3 104 PHE HA 3 153 PHE QD 4.500 . 5.250 4.837 4.253 5.279 0.029 2 0 "[ . 1]" 1
3132 3 104 PHE HA 3 153 PHE HZ 2.800 . 3.100 2.891 2.364 3.181 0.081 2 0 "[ . 1]" 1
3133 3 104 PHE QB 3 104 PHE QD 2.800 . 3.100 2.158 2.141 2.226 . 0 0 "[ . 1]" 1
3134 3 104 PHE QB 3 105 GLU H 4.500 . 5.250 2.021 1.874 2.346 . 0 0 "[ . 1]" 1
3135 3 104 PHE QB 3 118 GLN HA 5.500 . 6.500 4.882 3.628 6.213 . 0 0 "[ . 1]" 1
3136 3 104 PHE QB 3 119 LEU QD 5.500 . 6.500 2.887 2.300 3.382 . 0 0 "[ . 1]" 1
3137 3 104 PHE QB 3 153 PHE QD 5.500 . 6.500 5.632 5.076 6.320 . 0 0 "[ . 1]" 1
3138 3 104 PHE QB 3 153 PHE HZ 3.500 . 4.200 3.435 2.793 4.041 . 0 0 "[ . 1]" 1
3139 3 104 PHE QD 3 105 GLU HA 4.500 . 5.250 3.306 2.557 3.974 . 0 0 "[ . 1]" 1
3140 3 104 PHE QD 3 105 GLU H 4.500 . 5.250 2.860 2.487 3.321 . 0 0 "[ . 1]" 1
3141 3 104 PHE QD 3 108 PHE QD 3.500 . 4.200 3.461 2.234 3.816 . 0 0 "[ . 1]" 1
3142 3 104 PHE QD 3 108 PHE HZ 4.500 . 5.250 4.699 4.427 4.936 . 0 0 "[ . 1]" 1
3143 3 104 PHE QD 3 117 ALA HA 4.700 . 5.450 5.274 4.525 5.572 0.122 10 0 "[ . 1]" 1
3144 3 104 PHE QD 3 117 ALA MB 3.500 . 4.200 3.351 2.893 3.665 . 0 0 "[ . 1]" 1
3145 3 104 PHE QD 3 118 GLN QB 5.500 . 6.500 5.097 4.148 6.077 . 0 0 "[ . 1]" 1
3146 3 104 PHE QD 3 118 GLN H 5.500 . 6.500 4.010 3.548 4.910 . 0 0 "[ . 1]" 1
3147 3 104 PHE QD 3 119 LEU HA 5.500 . 6.500 4.676 4.375 5.026 . 0 0 "[ . 1]" 1
3148 3 104 PHE QD 3 119 LEU QB 4.500 . 5.250 3.154 2.660 3.891 . 0 0 "[ . 1]" 1
3149 3 104 PHE QD 3 119 LEU QD 3.500 . 4.200 3.145 2.247 3.722 . 0 0 "[ . 1]" 1
3150 3 104 PHE QD 3 119 LEU H 5.500 . 6.500 3.863 3.114 4.326 . 0 0 "[ . 1]" 1
3151 3 104 PHE QD 3 134 VAL QG 5.500 . 6.500 3.931 3.670 4.214 . 0 0 "[ . 1]" 1
3152 3 104 PHE QE 3 105 GLU HA 4.500 . 5.250 4.440 3.849 5.205 . 0 0 "[ . 1]" 1
3153 3 104 PHE QE 3 108 PHE HZ 3.500 . 4.200 3.402 3.049 3.930 . 0 0 "[ . 1]" 1
3154 3 104 PHE QE 3 117 ALA MB 3.500 . 4.200 2.685 2.185 3.309 . 0 0 "[ . 1]" 1
3155 3 104 PHE QE 3 118 GLN HA 4.500 . 5.250 3.653 2.941 4.439 . 0 0 "[ . 1]" 1
3156 3 104 PHE QE 3 118 GLN QB 4.500 . 5.250 4.751 4.321 5.303 0.053 5 0 "[ . 1]" 1
3157 3 104 PHE QE 3 118 GLN H 4.500 . 5.250 2.330 1.809 3.001 . 0 0 "[ . 1]" 1
3158 3 104 PHE QE 3 119 LEU HA 3.500 . 4.200 4.196 3.823 4.273 0.073 4 0 "[ . 1]" 1
3159 3 104 PHE QE 3 119 LEU QD 5.500 . 6.500 3.819 2.502 4.518 . 0 0 "[ . 1]" 1
3160 3 104 PHE QE 3 133 PHE HA 5.500 . 6.500 4.864 4.635 5.115 . 0 0 "[ . 1]" 1
3161 3 104 PHE QE 3 133 PHE H 5.500 . 6.500 3.344 2.984 3.654 . 0 0 "[ . 1]" 1
3162 3 104 PHE QE 3 134 VAL HB 4.500 . 5.250 4.578 2.688 5.281 0.031 4 0 "[ . 1]" 1
3163 3 104 PHE QE 3 134 VAL QG 3.500 . 4.200 2.379 2.174 2.691 . 0 0 "[ . 1]" 1
3164 3 104 PHE H 3 104 PHE QB 3.500 . 4.200 2.341 2.154 2.429 . 0 0 "[ . 1]" 1
3165 3 104 PHE H 3 105 GLU H 3.300 . 3.800 3.490 3.014 3.659 . 0 0 "[ . 1]" 1
3166 3 104 PHE H 3 119 LEU QD 5.500 . 6.500 4.568 3.683 5.236 . 0 0 "[ . 1]" 1
3167 3 104 PHE H 3 153 PHE HZ 4.500 . 5.250 2.666 1.790 3.763 0.010 8 0 "[ . 1]" 1
3168 3 104 PHE HZ 3 108 PHE QD 4.500 . 5.250 4.607 4.264 5.054 . 0 0 "[ . 1]" 1
3169 3 104 PHE HZ 3 117 ALA MB 5.500 . 6.500 4.227 2.818 5.217 . 0 0 "[ . 1]" 1
3170 3 104 PHE HZ 3 118 GLN H 5.500 . 6.500 4.043 3.189 4.952 . 0 0 "[ . 1]" 1
3171 3 104 PHE HZ 3 119 LEU HA 5.500 . 6.500 4.795 4.421 5.839 . 0 0 "[ . 1]" 1
3172 3 104 PHE HZ 3 132 GLY QA 4.500 . 5.250 3.583 2.943 4.903 . 0 0 "[ . 1]" 1
3173 3 104 PHE HZ 3 133 PHE HA 4.500 . 5.250 4.003 3.565 4.499 . 0 0 "[ . 1]" 1
3174 3 104 PHE HZ 3 133 PHE H 5.500 . 6.500 3.018 2.380 3.927 . 0 0 "[ . 1]" 1
3175 3 104 PHE HZ 3 134 VAL QG 3.500 . 4.200 2.159 2.025 2.259 . 0 0 "[ . 1]" 1
3176 3 104 PHE HZ 3 134 VAL H 5.500 . 6.500 4.470 3.978 5.043 . 0 0 "[ . 1]" 1
3177 3 105 GLU HA 3 106 GLU H 4.500 . 5.250 3.567 3.548 3.587 . 0 0 "[ . 1]" 1
3178 3 105 GLU HA 3 108 PHE QB 3.500 . 4.200 3.614 3.206 3.867 . 0 0 "[ . 1]" 1
3179 3 105 GLU HA 3 108 PHE H 4.500 . 5.250 4.200 3.996 4.587 . 0 0 "[ . 1]" 1
3180 3 105 GLU HA 3 114 ILE HB 4.500 . 5.250 4.898 4.262 5.316 0.066 1 0 "[ . 1]" 1
3181 3 105 GLU HA 3 114 ILE MD 5.500 . 6.500 3.740 2.237 4.925 . 0 0 "[ . 1]" 1
3182 3 105 GLU HA 3 114 ILE MG 5.500 . 6.500 3.731 2.813 4.686 . 0 0 "[ . 1]" 1
3183 3 105 GLU HA 3 117 ALA MB 3.500 . 4.200 2.843 2.246 3.556 . 0 0 "[ . 1]" 1
3184 3 105 GLU HA 3 118 GLN HA 5.500 . 6.500 5.632 4.221 6.559 0.059 7 0 "[ . 1]" 1
3185 3 105 GLU HA 3 134 VAL QG 5.500 . 6.500 4.467 3.839 5.565 . 0 0 "[ . 1]" 1
3186 3 105 GLU QB 3 114 ILE MG 5.500 . 6.500 4.369 3.529 5.747 . 0 0 "[ . 1]" 1
3187 3 105 GLU H 3 105 GLU QB 3.500 . 4.200 2.362 2.249 2.524 . 0 0 "[ . 1]" 1
3188 3 105 GLU H 3 106 GLU H 3.300 . 3.800 2.796 2.743 2.855 . 0 0 "[ . 1]" 1
3189 3 105 GLU H 3 117 ALA MB 4.500 . 5.250 4.538 3.953 5.162 . 0 0 "[ . 1]" 1
3190 3 105 GLU H 3 119 LEU QD 5.500 . 6.500 5.067 4.131 5.763 . 0 0 "[ . 1]" 1
3191 3 106 GLU HA 3 107 PHE H 4.500 . 5.250 3.411 3.217 3.550 . 0 0 "[ . 1]" 1
3192 3 106 GLU HA 3 109 SER QB 2.800 . 3.100 2.645 2.175 3.113 0.013 2 0 "[ . 1]" 1
3193 3 106 GLU HA 3 109 SER H 3.500 . 4.200 4.012 3.590 4.235 0.035 5 0 "[ . 1]" 1
3194 3 106 GLU HA 3 110 GLN H 5.500 . 6.500 5.248 4.880 5.540 . 0 0 "[ . 1]" 1
3195 3 106 GLU QG 3 107 PHE H 5.500 . 6.500 4.110 3.317 4.857 . 0 0 "[ . 1]" 1
3196 3 106 GLU QG 3 109 SER QB 4.500 . 5.250 4.391 3.876 4.985 . 0 0 "[ . 1]" 1
3197 3 106 GLU H 3 106 GLU QG 3.500 . 4.200 3.421 2.258 4.082 . 0 0 "[ . 1]" 1
3198 3 106 GLU H 3 107 PHE H 3.300 . 3.800 2.547 2.408 2.629 . 0 0 "[ . 1]" 1
3199 3 107 PHE HA 3 107 PHE QD 2.800 . 3.100 2.441 2.229 2.888 . 0 0 "[ . 1]" 1
3200 3 107 PHE HA 3 108 PHE QD 4.500 . 5.250 5.202 5.075 5.304 0.054 8 0 "[ . 1]" 1
3201 3 107 PHE HA 3 108 PHE H 5.500 . 6.500 3.599 3.574 3.617 . 0 0 "[ . 1]" 1
3202 3 107 PHE HA 3 110 GLN QE 4.500 . 5.250 3.900 2.082 5.336 0.086 4 0 "[ . 1]" 1
3203 3 107 PHE HA 3 111 TRP HZ3 5.500 . 6.500 5.374 5.082 5.946 . 0 0 "[ . 1]" 1
3204 3 107 PHE HA 3 153 PHE QE 3.500 . 4.200 4.346 3.973 4.447 0.247 5 0 "[ . 1]" 1
3205 3 107 PHE HA 3 153 PHE HZ 5.500 . 6.500 6.138 5.080 6.509 0.009 5 0 "[ . 1]" 1
3206 3 107 PHE QB 3 107 PHE QD 2.800 . 3.100 2.175 2.143 2.210 . 0 0 "[ . 1]" 1
3207 3 107 PHE QB 3 108 PHE QD 4.500 . 5.250 2.825 2.669 2.957 . 0 0 "[ . 1]" 1
3208 3 107 PHE QB 3 108 PHE H 4.500 . 5.250 2.059 1.871 2.289 . 0 0 "[ . 1]" 1
3209 3 107 PHE QB 3 153 PHE QD 4.500 . 5.250 3.708 3.297 3.936 . 0 0 "[ . 1]" 1
3210 3 107 PHE QB 3 153 PHE QE 3.500 . 4.200 2.113 1.976 2.288 . 0 0 "[ . 1]" 1
3211 3 107 PHE QB 3 153 PHE HZ 4.500 . 5.250 3.481 2.663 3.799 . 0 0 "[ . 1]" 1
3212 3 107 PHE QD 3 108 PHE QD 3.500 . 4.200 2.532 2.244 2.789 . 0 0 "[ . 1]" 1
3213 3 107 PHE QD 3 108 PHE QE 3.500 . 4.200 2.783 2.340 3.430 . 0 0 "[ . 1]" 1
3214 3 107 PHE QD 3 108 PHE H 4.500 . 5.250 2.547 2.159 2.902 . 0 0 "[ . 1]" 1
3215 3 107 PHE QD 3 108 PHE HZ 4.500 . 5.250 4.242 3.993 4.469 . 0 0 "[ . 1]" 1
3216 3 107 PHE QD 3 109 SER H 5.500 . 6.500 4.931 4.628 5.255 . 0 0 "[ . 1]" 1
3217 3 107 PHE QD 3 110 GLN QE 5.500 . 6.500 3.306 1.927 5.277 . 0 0 "[ . 1]" 1
3218 3 107 PHE QD 3 111 TRP HE3 4.500 . 5.250 5.316 5.135 5.501 0.251 4 0 "[ . 1]" 1
3219 3 107 PHE QD 3 111 TRP HH2 4.500 . 5.250 3.999 3.253 4.664 . 0 0 "[ . 1]" 1
3220 3 107 PHE QD 3 111 TRP HZ2 5.500 . 6.500 6.064 5.420 6.509 0.009 6 0 "[ . 1]" 1
3221 3 107 PHE QD 3 111 TRP HZ3 3.500 . 4.200 3.688 3.194 4.016 . 0 0 "[ . 1]" 1
3222 3 107 PHE QD 3 114 ILE MD 5.500 . 6.500 5.592 5.205 5.981 . 0 0 "[ . 1]" 1
3223 3 107 PHE QD 3 134 VAL QG 5.500 . 6.500 4.984 4.534 5.706 . 0 0 "[ . 1]" 1
3224 3 107 PHE QD 3 151 ILE MD 5.500 . 6.500 5.181 4.591 5.879 . 0 0 "[ . 1]" 1
3225 3 107 PHE QD 3 151 ILE MG 4.500 . 5.250 4.714 4.295 5.132 . 0 0 "[ . 1]" 1
3226 3 107 PHE QD 3 158 ILE MD 5.500 . 6.500 3.882 3.583 4.251 . 0 0 "[ . 1]" 1
3227 3 107 PHE QE 3 108 PHE QD 3.500 . 4.200 3.974 3.588 4.206 0.006 8 0 "[ . 1]" 1
3228 3 107 PHE QE 3 108 PHE QE 3.500 . 4.200 3.405 2.709 3.759 . 0 0 "[ . 1]" 1
3229 3 107 PHE QE 3 110 GLN QE 4.500 . 5.250 3.099 1.953 4.724 . 0 0 "[ . 1]" 1
3230 3 107 PHE QE 3 111 TRP HH2 2.800 . 3.100 2.737 2.175 3.137 0.037 9 0 "[ . 1]" 1
3231 3 107 PHE QE 3 111 TRP HZ2 4.500 . 5.250 5.038 4.594 5.326 0.076 9 0 "[ . 1]" 1
3232 3 107 PHE QE 3 111 TRP HZ3 3.500 . 4.200 2.817 2.253 3.302 . 0 0 "[ . 1]" 1
3233 3 107 PHE QE 3 151 ILE HB 4.500 . 5.250 4.252 3.519 5.317 0.067 6 0 "[ . 1]" 1
3234 3 107 PHE QE 3 151 ILE MD 5.500 . 6.500 3.467 2.917 4.156 . 0 0 "[ . 1]" 1
3235 3 107 PHE QE 3 151 ILE QG 4.500 . 5.250 4.644 3.166 5.287 0.037 10 0 "[ . 1]" 1
3236 3 107 PHE QE 3 151 ILE MG 3.500 . 4.200 2.858 2.229 3.347 . 0 0 "[ . 1]" 1
3237 3 107 PHE QE 3 153 PHE HA 3.500 . 4.200 3.853 3.134 4.240 0.040 10 0 "[ . 1]" 1
3238 3 107 PHE QE 3 158 ILE MD 5.500 . 6.500 2.672 1.986 3.365 . 0 0 "[ . 1]" 1
3239 3 107 PHE QE 3 158 ILE QG 4.500 . 5.250 4.348 3.952 5.114 . 0 0 "[ . 1]" 1
3240 3 107 PHE QE 3 158 ILE MG 5.500 . 6.500 4.880 3.830 5.235 . 0 0 "[ . 1]" 1
3241 3 107 PHE H 3 107 PHE QB 3.500 . 4.200 2.298 2.247 2.364 . 0 0 "[ . 1]" 1
3242 3 107 PHE H 3 107 PHE QD 4.500 . 5.250 4.200 4.129 4.229 . 0 0 "[ . 1]" 1
3243 3 107 PHE H 3 108 PHE H 3.300 . 3.800 3.091 2.769 3.351 . 0 0 "[ . 1]" 1
3244 3 107 PHE H 3 153 PHE QE 5.500 . 6.500 4.546 4.141 5.205 . 0 0 "[ . 1]" 1
3245 3 107 PHE HZ 3 111 TRP HH2 3.500 . 4.200 3.896 2.987 4.434 0.234 2 0 "[ . 1]" 1
3246 3 107 PHE HZ 3 111 TRP HZ3 4.500 . 5.250 3.231 2.511 3.858 . 0 0 "[ . 1]" 1
3247 3 107 PHE HZ 3 151 ILE HB 4.500 . 5.250 4.185 3.387 5.146 . 0 0 "[ . 1]" 1
3248 3 107 PHE HZ 3 151 ILE MD 5.500 . 6.500 3.567 3.002 4.249 . 0 0 "[ . 1]" 1
3249 3 107 PHE HZ 3 151 ILE QG 4.500 . 5.250 4.356 2.181 5.295 0.045 4 0 "[ . 1]" 1
3250 3 107 PHE HZ 3 151 ILE MG 5.500 . 6.500 2.304 1.993 3.329 . 0 0 "[ . 1]" 1
3251 3 107 PHE HZ 3 153 PHE HA 3.500 . 4.200 4.198 3.925 4.310 0.110 9 0 "[ . 1]" 1
3252 3 107 PHE HZ 3 153 PHE QB 4.500 . 5.250 4.214 3.322 4.711 . 0 0 "[ . 1]" 1
3253 3 107 PHE HZ 3 153 PHE QD 4.500 . 5.250 3.814 3.479 4.231 . 0 0 "[ . 1]" 1
3254 3 107 PHE HZ 3 158 ILE MD 4.500 . 5.250 3.720 2.386 4.435 . 0 0 "[ . 1]" 1
3255 3 108 PHE HA 3 108 PHE QD 3.500 . 4.200 2.993 2.922 3.060 . 0 0 "[ . 1]" 1
3256 3 108 PHE HA 3 109 SER H 4.500 . 5.250 3.489 3.420 3.544 . 0 0 "[ . 1]" 1
3257 3 108 PHE HA 3 110 GLN QG 4.500 . 5.250 3.789 2.847 5.330 0.080 6 0 "[ . 1]" 1
3258 3 108 PHE HA 3 111 TRP HE3 4.500 . 5.250 3.484 3.152 3.973 . 0 0 "[ . 1]" 1
3259 3 108 PHE HA 3 111 TRP HH2 3.500 . 4.200 3.251 3.045 3.607 . 0 0 "[ . 1]" 1
3260 3 108 PHE HA 3 111 TRP H 5.500 . 6.500 4.376 3.778 4.755 . 0 0 "[ . 1]" 1
3261 3 108 PHE HA 3 111 TRP HZ2 5.500 . 6.500 4.486 4.208 4.753 . 0 0 "[ . 1]" 1
3262 3 108 PHE HA 3 111 TRP HZ3 2.800 . 3.100 2.562 2.389 3.105 0.005 4 0 "[ . 1]" 1
3263 3 108 PHE HA 3 134 VAL QG 5.500 . 6.500 4.614 4.112 5.281 . 0 0 "[ . 1]" 1
3264 3 108 PHE HA 3 136 TYR QE 5.500 . 6.500 5.063 4.796 5.266 . 0 0 "[ . 1]" 1
3265 3 108 PHE HA 3 145 VAL QG 5.500 . 6.500 5.521 5.366 5.646 . 0 0 "[ . 1]" 1
3266 3 108 PHE QB 3 109 SER H 5.500 . 6.500 2.628 2.399 2.824 . 0 0 "[ . 1]" 1
3267 3 108 PHE QB 3 111 TRP HE3 5.500 . 6.500 5.071 4.828 5.373 . 0 0 "[ . 1]" 1
3268 3 108 PHE QB 3 111 TRP HZ3 4.500 . 5.250 4.528 4.378 4.849 . 0 0 "[ . 1]" 1
3269 3 108 PHE QB 3 114 ILE MD 4.500 . 5.250 2.023 1.859 2.348 . 0 0 "[ . 1]" 1
3270 3 108 PHE QB 3 114 ILE MG 5.500 . 6.500 3.455 2.207 4.733 . 0 0 "[ . 1]" 1
3271 3 108 PHE QB 3 134 VAL QG 4.500 . 5.250 2.654 2.174 3.542 . 0 0 "[ . 1]" 1
3272 3 108 PHE QB 3 136 TYR QD 4.500 . 5.250 5.113 4.792 5.291 0.041 5 0 "[ . 1]" 1
3273 3 108 PHE QB 3 136 TYR QE 4.500 . 5.250 3.161 2.811 3.373 . 0 0 "[ . 1]" 1
3274 3 108 PHE QD 3 111 TRP HE3 4.500 . 5.250 5.135 4.992 5.242 . 0 0 "[ . 1]" 1
3275 3 108 PHE QD 3 111 TRP HH2 4.500 . 5.250 2.739 2.435 3.091 . 0 0 "[ . 1]" 1
3276 3 108 PHE QD 3 111 TRP HZ3 4.500 . 5.250 4.118 3.921 4.288 . 0 0 "[ . 1]" 1
3277 3 108 PHE QD 3 117 ALA MB 5.500 . 6.500 4.533 4.127 4.969 . 0 0 "[ . 1]" 1
3278 3 108 PHE QD 3 134 VAL QG 4.500 . 5.250 2.760 2.433 3.010 . 0 0 "[ . 1]" 1
3279 3 108 PHE QD 3 151 ILE MD 4.500 . 5.250 4.500 3.834 5.283 0.033 6 0 "[ . 1]" 1
3280 3 108 PHE QD 3 151 ILE MG 5.500 . 6.500 5.413 4.814 5.988 . 0 0 "[ . 1]" 1
3281 3 108 PHE QD 3 158 ILE MD 4.500 . 5.250 4.629 4.330 5.024 . 0 0 "[ . 1]" 1
3282 3 108 PHE QD 3 160 ILE MD 3.500 . 4.200 3.985 3.748 4.248 0.048 9 0 "[ . 1]" 1
3283 3 108 PHE QD 3 160 ILE MG 4.500 . 5.250 5.007 4.387 5.319 0.069 2 0 "[ . 1]" 1
3284 3 108 PHE QE 3 134 VAL QG 5.500 . 6.500 3.042 2.687 3.712 . 0 0 "[ . 1]" 1
3285 3 108 PHE QE 3 151 ILE MD 5.500 . 6.500 3.543 2.648 4.794 . 0 0 "[ . 1]" 1
3286 3 108 PHE QE 3 151 ILE QG 4.500 . 5.250 5.143 4.689 5.322 0.072 7 0 "[ . 1]" 1
3287 3 108 PHE QE 3 151 ILE MG 5.500 . 6.500 4.623 3.522 5.336 . 0 0 "[ . 1]" 1
3288 3 108 PHE QE 3 158 ILE HB 5.500 . 6.500 5.493 4.926 6.085 . 0 0 "[ . 1]" 1
3289 3 108 PHE QE 3 158 ILE MD 3.500 . 4.200 3.099 2.829 3.603 . 0 0 "[ . 1]" 1
3290 3 108 PHE QE 3 160 ILE MD 3.500 . 4.200 2.242 2.001 2.605 . 0 0 "[ . 1]" 1
3291 3 108 PHE QE 3 160 ILE MG 4.500 . 5.250 3.542 2.639 4.059 . 0 0 "[ . 1]" 1
3292 3 108 PHE H 3 109 SER H 3.300 . 3.800 2.891 2.786 3.057 . 0 0 "[ . 1]" 1
3293 3 108 PHE H 3 114 ILE MD 3.500 . 4.200 4.111 3.573 4.347 0.147 1 0 "[ . 1]" 1
3294 3 108 PHE H 3 134 VAL QG 5.500 . 6.500 4.615 4.071 5.517 . 0 0 "[ . 1]" 1
3295 3 108 PHE HZ 3 111 TRP HH2 4.500 . 5.250 3.969 3.607 4.291 . 0 0 "[ . 1]" 1
3296 3 108 PHE HZ 3 111 TRP HZ3 5.500 . 6.500 5.990 5.648 6.242 . 0 0 "[ . 1]" 1
3297 3 108 PHE HZ 3 134 VAL QG 4.500 . 5.250 3.649 3.295 4.678 . 0 0 "[ . 1]" 1
3298 3 108 PHE HZ 3 145 VAL QG 4.500 . 5.250 5.105 4.707 5.353 0.103 8 0 "[ . 1]" 1
3299 3 108 PHE HZ 3 158 ILE MD 4.500 . 5.250 2.407 2.067 2.922 . 0 0 "[ . 1]" 1
3300 3 108 PHE HZ 3 158 ILE MG 5.500 . 6.500 4.835 3.961 5.337 . 0 0 "[ . 1]" 1
3301 3 108 PHE HZ 3 160 ILE MD 5.500 . 6.500 3.102 2.588 4.136 . 0 0 "[ . 1]" 1
3302 3 109 SER HA 3 110 GLN H 4.500 . 5.250 3.568 3.514 3.605 . 0 0 "[ . 1]" 1
3303 3 109 SER HA 3 111 TRP H 5.500 . 6.500 4.932 3.270 6.105 . 0 0 "[ . 1]" 1
3304 3 109 SER HA 3 113 THR MG 5.500 . 6.500 5.617 4.782 6.446 . 0 0 "[ . 1]" 1
3305 3 109 SER HA 3 114 ILE HA 5.500 . 6.500 5.466 4.657 6.320 . 0 0 "[ . 1]" 1
3306 3 109 SER HA 3 114 ILE HB 5.500 . 6.500 3.770 2.269 5.036 . 0 0 "[ . 1]" 1
3307 3 109 SER HA 3 114 ILE MD 3.500 . 4.200 2.484 1.969 3.848 . 0 0 "[ . 1]" 1
3308 3 109 SER HA 3 114 ILE QG 4.500 . 5.250 3.403 2.178 5.086 . 0 0 "[ . 1]" 1
3309 3 109 SER HA 3 136 TYR QE 4.500 . 5.250 4.882 3.674 5.378 0.128 7 0 "[ . 1]" 1
3310 3 109 SER QB 3 110 GLN H 4.500 . 5.250 3.020 2.468 3.454 . 0 0 "[ . 1]" 1
3311 3 109 SER QB 3 114 ILE HB 4.500 . 5.250 4.564 3.687 5.305 0.055 10 0 "[ . 1]" 1
3312 3 109 SER QB 3 114 ILE MD 5.500 . 6.500 3.342 2.162 4.564 . 0 0 "[ . 1]" 1
3313 3 109 SER QB 3 114 ILE QG 5.500 . 6.500 4.312 3.164 5.997 . 0 0 "[ . 1]" 1
3314 3 109 SER QB 3 114 ILE MG 5.500 . 6.500 4.655 3.370 5.671 . 0 0 "[ . 1]" 1
3315 3 109 SER H 3 109 SER QB 3.500 . 4.200 2.401 2.205 2.713 . 0 0 "[ . 1]" 1
3316 3 109 SER H 3 110 GLN H 3.300 . 3.800 3.119 2.904 3.272 . 0 0 "[ . 1]" 1
3317 3 109 SER H 3 114 ILE MD 4.500 . 5.250 2.626 1.808 3.546 . 0 0 "[ . 1]" 1
3318 3 109 SER H 3 136 TYR QE 5.500 . 6.500 5.659 4.611 6.106 . 0 0 "[ . 1]" 1
3319 3 110 GLN HA 3 111 TRP HE3 4.500 . 5.250 5.139 4.534 5.526 0.276 4 0 "[ . 1]" 1
3320 3 110 GLN HA 3 111 TRP H 4.500 . 5.250 3.477 3.420 3.535 . 0 0 "[ . 1]" 1
3321 3 110 GLN HA 3 112 GLY H 5.500 . 6.500 5.882 3.742 6.597 0.097 6 0 "[ . 1]" 1
3322 3 110 GLN QB 3 111 TRP HE3 4.500 . 5.250 3.175 2.253 4.157 . 0 0 "[ . 1]" 1
3323 3 110 GLN QE 3 111 TRP HH2 5.500 . 6.500 5.492 4.632 6.549 0.049 5 0 "[ . 1]" 1
3324 3 110 GLN QE 3 111 TRP HZ3 5.500 . 6.500 3.375 2.497 4.551 . 0 0 "[ . 1]" 1
3325 3 110 GLN QG 3 111 TRP HD1 5.500 . 6.500 6.191 5.645 6.566 0.066 7 0 "[ . 1]" 1
3326 3 110 GLN QG 3 111 TRP HE3 4.500 . 5.250 2.322 1.964 2.709 . 0 0 "[ . 1]" 1
3327 3 110 GLN QG 3 111 TRP HH2 5.500 . 6.500 5.569 4.941 6.562 0.062 9 0 "[ . 1]" 1
3328 3 110 GLN QG 3 111 TRP HZ3 4.500 . 5.250 3.612 3.084 4.518 . 0 0 "[ . 1]" 1
3329 3 110 GLN H 3 110 GLN QB 3.500 . 4.200 2.606 2.258 2.977 . 0 0 "[ . 1]" 1
3330 3 110 GLN H 3 110 GLN QE 5.500 . 6.500 3.911 1.942 5.056 . 0 0 "[ . 1]" 1
3331 3 110 GLN H 3 110 GLN QG 3.500 . 4.200 2.561 1.688 3.990 0.112 4 0 "[ . 1]" 1
3332 3 111 TRP HA 3 111 TRP HD1 4.500 . 5.250 4.114 3.959 4.287 . 0 0 "[ . 1]" 1
3333 3 111 TRP HA 3 112 GLY H 4.500 . 5.250 2.550 2.269 3.577 . 0 0 "[ . 1]" 1
3334 3 111 TRP HA 3 136 TYR QE 5.500 . 6.500 6.216 5.867 6.757 0.257 3 0 "[ . 1]" 1
3335 3 111 TRP HA 3 144 ARG QD 4.500 . 5.250 5.123 4.813 5.309 0.059 6 0 "[ . 1]" 1
3336 3 111 TRP QB 3 112 GLY H 4.500 . 5.250 3.151 2.768 4.094 . 0 0 "[ . 1]" 1
3337 3 111 TRP QB 3 136 TYR QE 5.500 . 6.500 5.768 5.383 6.240 . 0 0 "[ . 1]" 1
3338 3 111 TRP QB 3 141 ALA HA 5.500 . 6.500 5.983 5.640 6.339 . 0 0 "[ . 1]" 1
3339 3 111 TRP QB 3 141 ALA MB 5.500 . 6.500 5.108 4.691 5.525 . 0 0 "[ . 1]" 1
3340 3 111 TRP QB 3 145 VAL HA 5.500 . 6.500 6.013 5.764 6.216 . 0 0 "[ . 1]" 1
3341 3 111 TRP QB 3 145 VAL HB 4.500 . 5.250 5.302 5.267 5.358 0.108 3 0 "[ . 1]" 1
3342 3 111 TRP QB 3 145 VAL QG 4.500 . 5.250 4.882 4.707 5.053 . 0 0 "[ . 1]" 1
3343 3 111 TRP HD1 3 136 TYR QE 4.500 . 5.250 4.824 4.258 5.380 0.130 10 0 "[ . 1]" 1
3344 3 111 TRP HD1 3 141 ALA HA 3.500 . 4.200 4.146 3.884 4.350 0.150 9 0 "[ . 1]" 1
3345 3 111 TRP HD1 3 141 ALA MB 5.500 . 6.500 3.476 2.952 3.781 . 0 0 "[ . 1]" 1
3346 3 111 TRP HD1 3 144 ARG HA 5.500 . 6.500 6.494 6.348 6.585 0.085 8 0 "[ . 1]" 1
3347 3 111 TRP HD1 3 144 ARG QB 3.300 . 3.800 3.632 3.539 3.720 . 0 0 "[ . 1]" 1
3348 3 111 TRP HD1 3 144 ARG QD 2.800 . 3.100 2.767 2.492 3.125 0.025 5 0 "[ . 1]" 1
3349 3 111 TRP HD1 3 144 ARG QG 3.500 . 4.200 4.166 3.998 4.226 0.026 10 0 "[ . 1]" 1
3350 3 111 TRP HD1 3 145 VAL HA 4.500 . 5.250 5.052 4.788 5.282 0.032 1 0 "[ . 1]" 1
3351 3 111 TRP HD1 3 145 VAL HB 3.500 . 4.200 3.665 3.431 4.015 . 0 0 "[ . 1]" 1
3352 3 111 TRP HD1 3 145 VAL QG 5.500 . 6.500 4.034 3.015 4.290 . 0 0 "[ . 1]" 1
3353 3 111 TRP HD1 3 145 VAL H 4.500 . 5.250 4.298 4.167 4.449 . 0 0 "[ . 1]" 1
3354 3 111 TRP HD1 3 151 ILE MD 5.500 . 6.500 6.258 5.876 6.549 0.049 1 0 "[ . 1]" 1
3355 3 111 TRP HE1 3 144 ARG QB 5.500 . 6.500 4.205 3.986 4.500 . 0 0 "[ . 1]" 1
3356 3 111 TRP HE1 3 145 VAL HA 4.500 . 5.250 4.036 3.685 4.171 . 0 0 "[ . 1]" 1
3357 3 111 TRP HE1 3 145 VAL HB 5.500 . 6.500 1.759 1.698 1.851 0.102 3 0 "[ . 1]" 1
3358 3 111 TRP HE1 3 145 VAL QG 5.500 . 6.500 2.479 1.644 2.681 0.156 6 0 "[ . 1]" 1
3359 3 111 TRP HE1 3 145 VAL H 5.500 . 6.500 3.537 3.358 3.684 . 0 0 "[ . 1]" 1
3360 3 111 TRP HE1 3 148 ASN QB 5.500 . 6.500 5.838 5.296 6.699 0.199 3 0 "[ . 1]" 1
3361 3 111 TRP HE1 3 148 ASN QD 5.500 . 6.500 5.529 3.757 6.416 . 0 0 "[ . 1]" 1
3362 3 111 TRP HE1 3 151 ILE MD 5.500 . 6.500 4.851 4.383 5.342 . 0 0 "[ . 1]" 1
3363 3 111 TRP QB 3 111 TRP HE3 3.500 . 4.200 2.624 2.463 2.717 . 0 0 "[ . 1]" 1
3364 3 111 TRP HE3 3 114 ILE MD 5.500 . 6.500 5.910 5.340 6.650 0.150 10 0 "[ . 1]" 1
3365 3 111 TRP HE3 3 145 VAL HB 5.500 . 6.500 6.332 5.754 6.580 0.080 8 0 "[ . 1]" 1
3366 3 111 TRP HE3 3 145 VAL QG 4.500 . 5.250 5.165 5.030 5.509 0.259 6 0 "[ . 1]" 1
3367 3 111 TRP HE3 3 151 ILE MD 5.500 . 6.500 4.823 4.449 5.345 . 0 0 "[ . 1]" 1
3368 3 111 TRP HE3 3 151 ILE MG 5.500 . 6.500 5.391 4.783 6.463 . 0 0 "[ . 1]" 1
3369 3 111 TRP HH2 3 145 VAL QG 5.500 . 6.500 3.634 3.360 3.949 . 0 0 "[ . 1]" 1
3370 3 111 TRP HH2 3 151 ILE HB 5.500 . 6.500 4.766 4.369 5.151 . 0 0 "[ . 1]" 1
3371 3 111 TRP HH2 3 151 ILE MD 3.500 . 4.200 2.710 2.228 3.350 . 0 0 "[ . 1]" 1
3372 3 111 TRP HH2 3 151 ILE QG 4.500 . 5.250 4.515 3.560 5.228 . 0 0 "[ . 1]" 1
3373 3 111 TRP HH2 3 151 ILE MG 4.500 . 5.250 3.486 2.824 4.008 . 0 0 "[ . 1]" 1
3374 3 111 TRP HH2 3 160 ILE MD 5.500 . 6.500 3.420 2.655 3.807 . 0 0 "[ . 1]" 1
3375 3 111 TRP H 3 111 TRP QB 3.500 . 4.200 2.596 2.183 3.251 . 0 0 "[ . 1]" 1
3376 3 111 TRP H 3 112 GLY H 4.500 . 5.250 3.966 2.260 4.699 . 0 0 "[ . 1]" 1
3377 3 111 TRP HZ2 3 145 VAL HA 4.500 . 5.250 5.047 4.447 5.334 0.084 10 0 "[ . 1]" 1
3378 3 111 TRP HZ2 3 145 VAL QG 5.500 . 6.500 2.133 2.067 2.190 . 0 0 "[ . 1]" 1
3379 3 111 TRP HZ2 3 151 ILE MD 5.500 . 6.500 3.206 2.709 3.867 . 0 0 "[ . 1]" 1
3380 3 111 TRP HZ2 3 151 ILE QG 4.500 . 5.250 5.126 4.750 5.332 0.082 8 0 "[ . 1]" 1
3381 3 111 TRP HZ2 3 151 ILE MG 5.500 . 6.500 4.865 4.240 5.265 . 0 0 "[ . 1]" 1
3382 3 111 TRP HZ2 3 160 ILE MD 5.500 . 6.500 3.028 2.666 3.563 . 0 0 "[ . 1]" 1
3383 3 111 TRP QB 3 111 TRP HZ3 4.500 . 5.250 4.872 4.744 4.947 . 0 0 "[ . 1]" 1
3384 3 111 TRP HZ3 3 134 VAL QG 5.500 . 6.500 5.958 5.662 6.419 . 0 0 "[ . 1]" 1
3385 3 111 TRP HZ3 3 136 TYR QE 5.500 . 6.500 6.624 6.526 6.773 0.273 9 0 "[ . 1]" 1
3386 3 111 TRP HZ3 3 145 VAL QG 5.500 . 6.500 4.929 4.674 5.405 . 0 0 "[ . 1]" 1
3387 3 111 TRP HZ3 3 151 ILE MD 5.500 . 6.500 3.695 3.125 4.409 . 0 0 "[ . 1]" 1
3388 3 111 TRP HZ3 3 151 ILE MG 5.500 . 6.500 3.886 3.459 4.755 . 0 0 "[ . 1]" 1
3389 3 111 TRP HZ3 3 160 ILE MD 5.500 . 6.500 5.399 4.695 5.853 . 0 0 "[ . 1]" 1
3390 3 112 GLY QA 3 113 THR H 3.500 . 4.200 2.266 2.159 2.364 . 0 0 "[ . 1]" 1
3391 3 112 GLY QA 3 136 TYR QD 3.500 . 4.200 2.777 2.393 3.180 . 0 0 "[ . 1]" 1
3392 3 112 GLY QA 3 136 TYR QE 3.500 . 4.200 2.663 1.935 3.121 . 0 0 "[ . 1]" 1
3393 3 112 GLY QA 3 141 ALA MB 5.500 . 6.500 2.394 2.039 3.284 . 0 0 "[ . 1]" 1
3394 3 112 GLY H 3 113 THR H 4.500 . 5.250 4.062 3.326 4.611 . 0 0 "[ . 1]" 1
3395 3 112 GLY H 3 136 TYR QD 4.500 . 5.250 5.327 5.091 5.658 0.408 10 0 "[ . 1]" 1
3396 3 112 GLY H 3 136 TYR QE 4.500 . 5.250 4.856 3.483 5.325 0.075 6 0 "[ . 1]" 1
3397 3 112 GLY H 3 141 ALA MB 5.500 . 6.500 4.276 3.573 5.602 . 0 0 "[ . 1]" 1
3398 3 113 THR HA 3 113 THR MG 2.800 . 3.100 2.498 2.256 3.189 0.089 6 0 "[ . 1]" 1
3399 3 113 THR HA 3 114 ILE HB 5.500 . 6.500 4.872 4.191 6.079 . 0 0 "[ . 1]" 1
3400 3 113 THR HA 3 114 ILE H 4.500 . 5.250 2.622 2.232 3.300 . 0 0 "[ . 1]" 1
3401 3 113 THR HB 3 114 ILE H 5.500 . 6.500 4.276 3.966 4.753 . 0 0 "[ . 1]" 1
3402 3 113 THR HB 3 141 ALA MB 5.500 . 6.500 5.694 4.752 6.156 . 0 0 "[ . 1]" 1
3403 3 113 THR MG 3 114 ILE H 3.500 . 4.200 3.277 2.410 4.225 0.025 9 0 "[ . 1]" 1
3404 3 113 THR MG 3 115 ILE MD 5.500 . 6.500 3.527 1.972 4.933 . 0 0 "[ . 1]" 1
3405 3 113 THR MG 3 136 TYR QB 5.500 . 6.500 4.594 2.609 5.994 . 0 0 "[ . 1]" 1
3406 3 113 THR MG 3 136 TYR QD 4.500 . 5.250 4.358 3.289 5.135 . 0 0 "[ . 1]" 1
3407 3 113 THR MG 3 136 TYR QE 5.500 . 6.500 5.645 4.772 6.167 . 0 0 "[ . 1]" 1
3408 3 113 THR MG 3 137 ASP QB 4.500 . 5.250 4.273 2.872 5.194 . 0 0 "[ . 1]" 1
3409 3 113 THR MG 3 137 ASP H 4.500 . 5.250 4.406 3.624 4.745 . 0 0 "[ . 1]" 1
3410 3 113 THR H 3 113 THR HB 3.300 . 3.800 3.025 2.532 3.770 . 0 0 "[ . 1]" 1
3411 3 113 THR H 3 113 THR MG 3.500 . 4.200 3.024 1.862 3.878 . 0 0 "[ . 1]" 1
3412 3 113 THR H 3 136 TYR HA 5.500 . 6.500 4.884 4.022 5.947 . 0 0 "[ . 1]" 1
3413 3 113 THR H 3 136 TYR QD 3.500 . 4.200 3.004 1.793 4.061 0.007 3 0 "[ . 1]" 1
3414 3 113 THR H 3 136 TYR QE 4.500 . 5.250 4.414 3.017 5.276 0.026 4 0 "[ . 1]" 1
3415 3 113 THR H 3 141 ALA MB 4.500 . 5.250 3.767 2.621 4.820 . 0 0 "[ . 1]" 1
3416 3 114 ILE HA 3 114 ILE MD 4.500 . 5.250 3.173 2.165 4.107 . 0 0 "[ . 1]" 1
3417 3 114 ILE HA 3 114 ILE QG 2.800 . 3.100 2.561 2.135 3.217 0.117 3 0 "[ . 1]" 1
3418 3 114 ILE HA 3 114 ILE MG 3.500 . 4.200 2.559 2.109 3.125 . 0 0 "[ . 1]" 1
3419 3 114 ILE HA 3 115 ILE H 3.500 . 4.200 2.192 2.126 2.260 . 0 0 "[ . 1]" 1
3420 3 114 ILE HA 3 116 ASP H 4.500 . 5.250 3.799 3.361 4.207 . 0 0 "[ . 1]" 1
3421 3 114 ILE HA 3 117 ALA MB 5.500 . 6.500 4.087 3.397 4.775 . 0 0 "[ . 1]" 1
3422 3 114 ILE HA 3 134 VAL QG 5.500 . 6.500 3.936 3.569 4.714 . 0 0 "[ . 1]" 1
3423 3 114 ILE HA 3 136 TYR HA 3.300 . 3.600 2.839 2.192 3.405 . 0 0 "[ . 1]" 1
3424 3 114 ILE HA 3 136 TYR QD 2.800 . 3.100 3.090 2.478 3.278 0.178 6 0 "[ . 1]" 1
3425 3 114 ILE HA 3 136 TYR QE 3.500 . 4.200 3.979 3.390 4.349 0.149 9 0 "[ . 1]" 1
3426 3 114 ILE HA 3 136 TYR H 5.500 . 6.500 4.952 4.537 5.515 . 0 0 "[ . 1]" 1
3427 3 114 ILE HA 3 137 ASP QB 5.500 . 6.250 6.026 5.410 6.298 0.048 10 0 "[ . 1]" 1
3428 3 114 ILE HB 3 134 VAL QG 4.500 . 5.250 4.244 3.496 5.033 . 0 0 "[ . 1]" 1
3429 3 114 ILE HB 3 136 TYR HA 5.500 . 6.500 5.644 4.980 6.320 . 0 0 "[ . 1]" 1
3430 3 114 ILE MD 3 117 ALA MB 5.500 . 6.500 3.029 1.907 4.135 . 0 0 "[ . 1]" 1
3431 3 114 ILE MD 3 134 VAL QG 3.500 . 4.200 2.720 1.986 3.437 . 0 0 "[ . 1]" 1
3432 3 114 ILE MD 3 136 TYR HA 5.500 . 6.500 5.133 3.837 6.451 . 0 0 "[ . 1]" 1
3433 3 114 ILE MD 3 136 TYR QD 4.500 . 5.250 3.778 2.512 5.288 0.038 3 0 "[ . 1]" 1
3434 3 114 ILE MD 3 136 TYR QE 3.500 . 4.200 2.704 1.976 4.227 0.027 3 0 "[ . 1]" 1
3435 3 114 ILE QG 3 117 ALA MB 5.500 . 6.500 2.817 1.905 3.916 . 0 0 "[ . 1]" 1
3436 3 114 ILE QG 3 134 VAL QG 3.500 . 4.200 2.933 1.914 4.287 0.087 6 0 "[ . 1]" 1
3437 3 114 ILE QG 3 136 TYR HA 4.500 . 5.250 4.621 3.718 5.375 0.125 10 0 "[ . 1]" 1
3438 3 114 ILE QG 3 136 TYR QD 3.500 . 4.200 3.682 2.669 4.231 0.031 6 0 "[ . 1]" 1
3439 3 114 ILE QG 3 136 TYR QE 3.500 . 4.200 3.113 2.262 4.010 . 0 0 "[ . 1]" 1
3440 3 114 ILE QG 3 141 ALA MB 5.500 . 6.500 5.917 4.947 6.566 0.066 8 0 "[ . 1]" 1
3441 3 114 ILE MG 3 117 ALA MB 2.800 . 3.100 2.027 1.834 2.412 . 0 0 "[ . 1]" 1
3442 3 114 ILE MG 3 118 GLN H 5.500 . 6.500 5.012 4.522 5.618 . 0 0 "[ . 1]" 1
3443 3 114 ILE MG 3 134 VAL QG 3.500 . 4.200 2.929 1.755 4.442 0.242 5 0 "[ . 1]" 1
3444 3 114 ILE MG 3 136 TYR HA 5.500 . 6.500 4.504 3.219 5.365 . 0 0 "[ . 1]" 1
3445 3 114 ILE MG 3 136 TYR QD 4.500 . 5.250 4.349 2.758 5.412 0.162 1 0 "[ . 1]" 1
3446 3 114 ILE MG 3 136 TYR QE 5.500 . 6.500 4.094 2.006 5.399 . 0 0 "[ . 1]" 1
3447 3 114 ILE H 3 114 ILE QG 3.500 . 4.200 3.053 1.801 4.049 . 0 0 "[ . 1]" 1
3448 3 114 ILE H 3 136 TYR QD 5.500 . 6.500 3.524 1.826 4.802 . 0 0 "[ . 1]" 1
3449 3 115 ILE HA 3 115 ILE HB 2.800 . 3.100 3.011 2.961 3.039 . 0 0 "[ . 1]" 1
3450 3 115 ILE HA 3 115 ILE MD 3.500 . 4.200 2.350 2.048 3.722 . 0 0 "[ . 1]" 1
3451 3 115 ILE HA 3 115 ILE QG 3.500 . 4.200 2.620 2.226 3.001 . 0 0 "[ . 1]" 1
3452 3 115 ILE HA 3 115 ILE MG 3.500 . 4.200 2.409 2.215 2.686 . 0 0 "[ . 1]" 1
3453 3 115 ILE HA 3 116 ASP H 3.300 . 3.800 3.566 3.511 3.622 . 0 0 "[ . 1]" 1
3454 3 115 ILE HB 3 135 THR HB 3.500 . 4.200 3.747 3.063 4.294 0.094 9 0 "[ . 1]" 1
3455 3 115 ILE HB 3 136 TYR HA 4.500 . 5.250 3.972 2.960 5.044 . 0 0 "[ . 1]" 1
3456 3 115 ILE HB 3 137 ASP HA 4.500 . 5.250 4.518 3.661 5.262 0.012 10 0 "[ . 1]" 1
3457 3 115 ILE MD 3 136 TYR HA 5.500 . 6.500 4.392 2.500 5.242 . 0 0 "[ . 1]" 1
3458 3 115 ILE MD 3 137 ASP QB 3.500 . 4.200 2.770 2.010 3.678 . 0 0 "[ . 1]" 1
3459 3 115 ILE MD 3 137 ASP H 5.500 . 6.500 3.721 2.134 4.437 . 0 0 "[ . 1]" 1
3460 3 115 ILE QG 3 136 TYR HA 4.500 . 5.250 3.656 2.780 4.594 . 0 0 "[ . 1]" 1
3461 3 115 ILE QG 3 137 ASP HA 3.500 . 4.200 3.419 2.235 4.225 0.025 3 0 "[ . 1]" 1
3462 3 115 ILE QG 3 137 ASP QB 3.500 . 4.200 2.275 1.941 2.593 . 0 0 "[ . 1]" 1
3463 3 115 ILE QG 3 137 ASP H 4.500 . 5.250 2.990 2.082 4.993 . 0 0 "[ . 1]" 1
3464 3 115 ILE MG 3 135 THR MG 5.500 . 6.500 3.920 2.493 5.854 . 0 0 "[ . 1]" 1
3465 3 115 ILE MG 3 136 TYR HA 5.500 . 6.500 5.264 4.517 6.036 . 0 0 "[ . 1]" 1
3466 3 115 ILE MG 3 137 ASP QB 4.500 . 5.250 4.084 3.732 4.560 . 0 0 "[ . 1]" 1
3467 3 115 ILE MG 3 137 ASP H 4.500 . 5.250 5.024 4.463 5.511 0.261 6 0 "[ . 1]" 1
3468 3 115 ILE H 3 115 ILE HB 3.300 . 3.800 2.390 2.098 2.597 . 0 0 "[ . 1]" 1
3469 3 115 ILE H 3 115 ILE QG 4.500 . 5.250 2.585 1.940 3.629 . 0 0 "[ . 1]" 1
3470 3 115 ILE H 3 115 ILE MG 4.500 . 5.250 3.702 3.555 3.802 . 0 0 "[ . 1]" 1
3471 3 115 ILE H 3 116 ASP H 3.300 . 3.800 2.524 2.228 2.818 . 0 0 "[ . 1]" 1
3472 3 115 ILE H 3 136 TYR HA 4.500 . 5.250 2.659 1.977 3.395 . 0 0 "[ . 1]" 1
3473 3 115 ILE H 3 136 TYR QD 5.500 . 6.500 4.368 4.009 4.811 . 0 0 "[ . 1]" 1
3474 3 116 ASP HA 3 117 ALA H 3.300 . 3.800 2.422 2.210 3.157 . 0 0 "[ . 1]" 1
3475 3 116 ASP H 3 135 THR HB 4.500 . 5.250 2.262 1.803 2.913 . 0 0 "[ . 1]" 1
3476 3 116 ASP H 3 135 THR H 3.500 . 4.200 3.536 3.152 3.884 . 0 0 "[ . 1]" 1
3477 3 117 ALA HA 3 118 GLN H 3.300 . 3.800 2.347 2.255 2.516 . 0 0 "[ . 1]" 1
3478 3 117 ALA HA 3 134 VAL HA 3.500 . 4.200 2.313 2.187 2.623 . 0 0 "[ . 1]" 1
3479 3 117 ALA HA 3 134 VAL QG 3.500 . 4.200 3.330 2.166 4.039 . 0 0 "[ . 1]" 1
3480 3 117 ALA MB 3 118 GLN QB 5.500 . 6.500 4.376 4.063 4.541 . 0 0 "[ . 1]" 1
3481 3 117 ALA MB 3 118 GLN H 3.500 . 4.200 2.821 2.255 3.220 . 0 0 "[ . 1]" 1
3482 3 117 ALA MB 3 134 VAL HA 4.500 . 5.250 2.664 2.037 3.786 . 0 0 "[ . 1]" 1
3483 3 117 ALA MB 3 134 VAL QG 3.500 . 4.200 2.433 1.932 3.801 . 0 0 "[ . 1]" 1
3484 3 118 GLN QG 3 119 LEU H 5.500 . 6.500 3.607 1.885 4.258 . 0 0 "[ . 1]" 1
3485 3 118 GLN QG 3 133 PHE QD 4.500 . 5.250 4.413 2.822 5.294 0.044 10 0 "[ . 1]" 1
3486 3 118 GLN QG 3 133 PHE H 4.500 . 5.250 3.952 3.383 4.929 . 0 0 "[ . 1]" 1
3487 3 118 GLN H 3 118 GLN QG 4.500 . 5.250 2.827 2.226 4.118 . 0 0 "[ . 1]" 1
3488 3 118 GLN H 3 132 GLY QA 5.500 . 6.500 5.203 4.808 5.715 . 0 0 "[ . 1]" 1
3489 3 118 GLN H 3 133 PHE QB 5.500 . 6.500 3.650 2.746 4.151 . 0 0 "[ . 1]" 1
3490 3 118 GLN H 3 133 PHE QD 5.500 . 6.500 5.492 4.745 6.112 . 0 0 "[ . 1]" 1
3491 3 118 GLN H 3 133 PHE H 5.500 . 6.500 3.494 3.177 3.962 . 0 0 "[ . 1]" 1
3492 3 118 GLN H 3 134 VAL HA 5.500 . 6.500 3.073 2.455 3.373 . 0 0 "[ . 1]" 1
3493 3 118 GLN H 3 134 VAL QG 5.500 . 6.500 3.502 2.559 4.497 . 0 0 "[ . 1]" 1
3494 3 119 LEU HA 3 119 LEU QD 3.500 . 4.200 2.690 1.981 3.368 . 0 0 "[ . 1]" 1
3495 3 119 LEU HA 3 119 LEU HG 3.300 . 3.800 3.294 2.564 3.675 . 0 0 "[ . 1]" 1
3496 3 119 LEU HA 3 120 MET H 3.300 . 3.800 2.395 2.296 2.473 . 0 0 "[ . 1]" 1
3497 3 119 LEU HA 3 121 LEU QD 5.500 . 6.500 5.281 4.817 5.889 . 0 0 "[ . 1]" 1
3498 3 119 LEU HA 3 133 PHE QD 5.500 . 6.500 4.435 3.406 5.181 . 0 0 "[ . 1]" 1
3499 3 119 LEU QD 3 120 MET H 4.500 . 5.250 2.720 1.755 3.565 0.045 10 0 "[ . 1]" 1
3500 3 119 LEU QD 3 121 LEU HA 5.500 . 6.500 4.086 3.495 4.943 . 0 0 "[ . 1]" 1
3501 3 119 LEU QD 3 121 LEU QD 3.500 . 4.200 2.584 1.909 3.739 . 0 0 "[ . 1]" 1
3502 3 119 LEU QD 3 128 SER HA 5.500 . 6.500 5.073 3.600 6.214 . 0 0 "[ . 1]" 1
3503 3 119 LEU QD 3 128 SER QB 5.500 . 6.500 4.870 2.433 6.593 0.093 8 0 "[ . 1]" 1
3504 3 119 LEU QD 3 153 PHE HZ 5.500 . 6.500 5.090 4.548 5.971 . 0 0 "[ . 1]" 1
3505 3 119 LEU HG 3 120 MET H 5.500 . 6.500 3.126 2.137 4.629 . 0 0 "[ . 1]" 1
3506 3 119 LEU HG 3 121 LEU QD 3.500 . 4.200 3.395 2.417 4.283 0.083 3 0 "[ . 1]" 1
3507 3 120 MET HA 3 120 MET ME 3.500 . 4.200 3.669 2.808 4.151 . 0 0 "[ . 1]" 1
3508 3 120 MET HA 3 121 LEU QB 4.500 . 5.250 4.134 3.662 4.788 . 0 0 "[ . 1]" 1
3509 3 120 MET HA 3 121 LEU QD 3.500 . 4.200 3.397 2.134 4.368 0.168 4 0 "[ . 1]" 1
3510 3 120 MET HA 3 121 LEU H 3.300 . 3.800 2.500 2.378 2.658 . 0 0 "[ . 1]" 1
3511 3 120 MET HA 3 131 PHE QE 5.500 . 6.500 5.283 4.045 6.122 . 0 0 "[ . 1]" 1
3512 3 120 MET HA 3 131 PHE HZ 5.500 . 6.500 5.839 5.044 6.521 0.021 8 0 "[ . 1]" 1
3513 3 120 MET QB 3 127 GLN H 5.500 . 6.500 4.390 2.608 6.033 . 0 0 "[ . 1]" 1
3514 3 120 MET QB 3 131 PHE QE 5.500 . 6.500 3.027 2.046 3.594 . 0 0 "[ . 1]" 1
3515 3 120 MET QB 3 133 PHE QE 5.500 . 6.500 5.017 2.301 6.452 . 0 0 "[ . 1]" 1
3516 3 120 MET QB 3 120 MET ME 3.500 . 4.200 2.896 2.049 3.686 . 0 0 "[ . 1]" 1
3517 3 120 MET ME 3 131 PHE QD 5.500 . 6.500 4.524 2.244 5.726 . 0 0 "[ . 1]" 1
3518 3 120 MET ME 3 131 PHE QE 3.500 . 4.200 3.162 2.252 3.884 . 0 0 "[ . 1]" 1
3519 3 120 MET ME 3 131 PHE HZ 3.500 . 4.200 4.104 3.358 4.274 0.074 10 0 "[ . 1]" 1
3520 3 120 MET ME 3 133 PHE QD 4.500 . 5.250 3.562 1.964 5.278 0.028 7 0 "[ . 1]" 1
3521 3 120 MET ME 3 133 PHE HZ 5.500 . 6.500 5.363 4.144 6.520 0.020 8 0 "[ . 1]" 1
3522 3 120 MET QG 3 131 PHE QD 4.500 . 5.250 3.887 2.909 5.180 . 0 0 "[ . 1]" 1
3523 3 120 MET QG 3 131 PHE QE 3.500 . 4.200 2.546 2.018 3.862 . 0 0 "[ . 1]" 1
3524 3 120 MET QG 3 131 PHE HZ 3.500 . 4.200 3.148 2.254 4.337 0.137 1 0 "[ . 1]" 1
3525 3 120 MET QG 3 132 GLY QA 4.500 . 5.250 3.781 2.263 5.346 0.096 2 0 "[ . 1]" 1
3526 3 120 MET QG 3 133 PHE QD 5.500 . 6.500 3.626 2.358 5.064 . 0 0 "[ . 1]" 1
3527 3 120 MET H 3 120 MET ME 4.500 . 5.250 4.168 2.760 5.074 . 0 0 "[ . 1]" 1
3528 3 120 MET H 3 120 MET QG 3.500 . 4.200 2.815 1.924 3.958 . 0 0 "[ . 1]" 1
3529 3 121 LEU HA 3 128 SER QB 4.500 . 5.250 3.403 2.316 5.370 0.120 2 0 "[ . 1]" 1
3530 3 121 LEU QB 3 127 GLN H 5.500 . 6.500 6.099 4.605 6.665 0.165 4 0 "[ . 1]" 1
3531 3 121 LEU QD 3 122 ASP H 5.500 . 6.500 2.902 1.708 3.872 0.092 9 0 "[ . 1]" 1
3532 3 121 LEU QD 3 123 LYS HA 5.500 . 6.500 4.806 2.173 6.609 0.109 9 0 "[ . 1]" 1
3533 3 121 LEU QD 3 124 ASP HA 5.500 . 6.500 5.385 3.490 6.701 0.201 4 0 "[ . 1]" 1
3534 3 121 LEU QD 3 127 GLN HA 5.500 . 6.500 6.013 3.173 6.697 0.197 3 0 "[ . 1]" 1
3535 3 121 LEU QD 3 128 SER QB 5.500 . 6.500 3.965 2.489 5.854 . 0 0 "[ . 1]" 1
3536 3 121 LEU H 3 121 LEU QD 4.500 . 5.250 3.037 1.651 4.099 0.149 7 0 "[ . 1]" 1
3537 3 121 LEU H 3 126 GLY QA 5.500 . 6.500 5.569 3.455 6.648 0.148 1 0 "[ . 1]" 1
3538 3 121 LEU H 3 127 GLN QG 5.500 . 6.500 5.929 3.752 6.573 0.073 9 0 "[ . 1]" 1
3539 3 121 LEU H 3 127 GLN H 5.500 . 6.500 5.070 3.748 6.470 . 0 0 "[ . 1]" 1
3540 3 122 ASP HA 3 123 LYS HA 5.500 . 6.500 4.734 4.399 4.912 . 0 0 "[ . 1]" 1
3541 3 122 ASP HA 3 123 LYS H 3.300 . 3.800 3.284 2.728 3.551 . 0 0 "[ . 1]" 1
3542 3 122 ASP HA 3 124 ASP H 5.500 . 6.500 4.120 3.163 5.095 . 0 0 "[ . 1]" 1
3543 3 122 ASP H 3 125 THR H 4.500 . 5.250 5.017 4.147 5.425 0.175 6 0 "[ . 1]" 1
3544 3 123 LYS HA 3 123 LYS QG 3.500 . 4.200 2.754 2.327 3.484 . 0 0 "[ . 1]" 1
3545 3 123 LYS HA 3 124 ASP H 5.500 . 6.500 3.510 3.371 3.565 . 0 0 "[ . 1]" 1
3546 3 123 LYS HA 3 126 GLY H 5.500 . 6.500 5.443 2.652 6.621 0.121 10 0 "[ . 1]" 1
3547 3 123 LYS QB 3 124 ASP H 3.500 . 4.200 2.911 2.195 3.788 . 0 0 "[ . 1]" 1
3548 3 123 LYS QG 3 124 ASP H 4.500 . 5.250 3.409 1.890 4.135 . 0 0 "[ . 1]" 1
3549 3 123 LYS H 3 123 LYS QB 3.500 . 4.200 2.368 2.259 2.565 . 0 0 "[ . 1]" 1
3550 3 123 LYS H 3 123 LYS QG 3.500 . 4.200 3.401 1.935 4.138 . 0 0 "[ . 1]" 1
3551 3 123 LYS H 3 124 ASP H 4.500 . 5.250 2.635 1.997 2.901 . 0 0 "[ . 1]" 1
3552 3 124 ASP HA 3 125 THR MG 4.500 . 5.250 4.410 3.603 5.200 . 0 0 "[ . 1]" 1
3553 3 124 ASP HA 3 125 THR H 4.500 . 5.250 3.488 3.036 3.589 . 0 0 "[ . 1]" 1
3554 3 124 ASP QB 3 125 THR MG 3.500 . 4.200 3.227 2.249 4.229 0.029 9 0 "[ . 1]" 1
3555 3 124 ASP QB 3 125 THR H 4.500 . 5.250 2.768 2.023 3.769 . 0 0 "[ . 1]" 1
3556 3 124 ASP H 3 124 ASP QB 3.500 . 4.200 2.506 2.255 3.022 . 0 0 "[ . 1]" 1
3557 3 124 ASP H 3 125 THR H 3.500 . 4.200 2.578 1.647 3.053 0.153 5 0 "[ . 1]" 1
3558 3 124 ASP H 3 126 GLY H 5.500 . 6.500 4.663 3.303 6.626 0.126 2 0 "[ . 1]" 1
3559 3 125 THR HA 3 125 THR MG 3.500 . 4.200 2.655 2.126 3.161 . 0 0 "[ . 1]" 1
3560 3 125 THR HA 3 126 GLY H 5.500 . 6.500 2.999 2.176 3.556 . 0 0 "[ . 1]" 1
3561 3 125 THR HA 3 127 GLN H 5.500 . 6.500 5.551 4.394 6.773 0.273 4 0 "[ . 1]" 1
3562 3 125 THR MG 3 126 GLY H 5.500 . 6.500 3.521 2.297 4.432 . 0 0 "[ . 1]" 1
3563 3 125 THR MG 3 127 GLN H 5.500 . 6.500 4.790 2.013 6.629 0.129 2 0 "[ . 1]" 1
3564 3 125 THR H 3 125 THR MG 3.500 . 4.200 2.920 2.070 3.881 . 0 0 "[ . 1]" 1
3565 3 126 GLY QA 3 127 GLN H 4.500 . 5.250 2.497 2.153 2.935 . 0 0 "[ . 1]" 1
3566 3 126 GLY H 3 127 GLN H 4.500 . 5.250 3.379 1.877 4.592 . 0 0 "[ . 1]" 1
3567 3 127 GLN HA 3 128 SER QB 5.500 . 6.500 4.785 4.064 5.574 . 0 0 "[ . 1]" 1
3568 3 127 GLN HA 3 128 SER H 3.300 . 3.800 2.655 2.210 3.528 . 0 0 "[ . 1]" 1
3569 3 127 GLN HA 3 131 PHE QD 5.500 . 6.500 6.470 6.060 6.671 0.171 4 0 "[ . 1]" 1
3570 3 127 GLN HA 3 131 PHE QE 4.500 . 5.250 4.523 3.952 4.890 . 0 0 "[ . 1]" 1
3571 3 127 GLN HA 3 131 PHE HZ 4.500 . 5.250 5.048 4.489 5.468 0.218 10 0 "[ . 1]" 1
3572 3 127 GLN QB 3 128 SER QB 4.500 . 5.250 4.848 4.081 5.339 0.089 9 0 "[ . 1]" 1
3573 3 127 GLN QB 3 128 SER H 4.500 . 5.250 3.301 2.729 3.888 . 0 0 "[ . 1]" 1
3574 3 127 GLN H 3 127 GLN QB 3.500 . 4.200 2.655 2.199 2.918 . 0 0 "[ . 1]" 1
3575 3 127 GLN H 3 128 SER H 5.500 . 6.500 3.731 2.724 4.397 . 0 0 "[ . 1]" 1
3576 3 128 SER QB 3 130 GLY H 5.500 . 6.500 4.290 3.444 4.871 . 0 0 "[ . 1]" 1
3577 3 128 SER H 3 128 SER QB 3.500 . 4.200 2.658 2.199 3.211 . 0 0 "[ . 1]" 1
3578 3 130 GLY QA 3 131 PHE H 5.500 . 6.500 2.622 2.183 2.924 . 0 0 "[ . 1]" 1
3579 3 130 GLY H 3 131 PHE H 4.500 . 5.250 2.493 1.667 4.292 0.133 3 0 "[ . 1]" 1
3580 3 131 PHE HA 3 132 GLY H 4.500 . 5.250 2.604 2.418 2.853 . 0 0 "[ . 1]" 1
3581 3 131 PHE QB 3 132 GLY H 5.500 . 6.500 2.162 1.924 2.498 . 0 0 "[ . 1]" 1
3582 3 131 PHE QD 3 132 GLY H 4.500 . 5.250 2.883 2.295 3.762 . 0 0 "[ . 1]" 1
3583 3 132 GLY QA 3 133 PHE QD 4.500 . 5.250 3.028 2.737 3.643 . 0 0 "[ . 1]" 1
3584 3 132 GLY QA 3 133 PHE H 3.500 . 4.200 2.390 2.224 2.436 . 0 0 "[ . 1]" 1
3585 3 132 GLY H 3 133 PHE QE 5.500 . 6.500 4.648 4.147 5.468 . 0 0 "[ . 1]" 1
3586 3 133 PHE HA 3 133 PHE QD 3.500 . 4.200 3.012 2.937 3.064 . 0 0 "[ . 1]" 1
3587 3 133 PHE HA 3 133 PHE QE 4.500 . 5.250 4.541 4.382 4.673 . 0 0 "[ . 1]" 1
3588 3 133 PHE HA 3 134 VAL QG 5.500 . 6.500 3.309 3.019 4.317 . 0 0 "[ . 1]" 1
3589 3 133 PHE HA 3 134 VAL H 3.300 . 3.800 2.400 2.354 2.447 . 0 0 "[ . 1]" 1
3590 3 133 PHE QB 3 133 PHE QD 2.800 . 3.100 2.147 2.144 2.150 . 0 0 "[ . 1]" 1
3591 3 133 PHE QD 3 163 ALA HA 5.500 . 6.500 4.590 3.272 5.534 . 0 0 "[ . 1]" 1
3592 3 133 PHE QE 3 163 ALA HA 4.500 . 5.250 3.678 2.978 5.094 . 0 0 "[ . 1]" 1
3593 3 133 PHE QE 3 163 ALA MB 5.500 . 6.500 2.897 2.047 4.812 . 0 0 "[ . 1]" 1
3594 3 134 VAL HA 3 135 THR H 3.300 . 3.800 2.352 2.279 2.408 . 0 0 "[ . 1]" 1
3595 3 134 VAL HB 3 136 TYR QE 4.500 . 5.250 3.571 2.778 4.733 . 0 0 "[ . 1]" 1
3596 3 134 VAL QG 3 135 THR HA 5.500 . 6.500 3.690 3.196 4.320 . 0 0 "[ . 1]" 1
3597 3 134 VAL QG 3 135 THR HB 5.500 . 6.500 4.729 4.377 5.481 . 0 0 "[ . 1]" 1
3598 3 134 VAL QG 3 135 THR H 3.500 . 4.200 2.620 2.229 3.454 . 0 0 "[ . 1]" 1
3599 3 134 VAL QG 3 136 TYR HA 5.500 . 6.500 4.725 4.315 5.886 . 0 0 "[ . 1]" 1
3600 3 134 VAL QG 3 136 TYR QE 3.500 . 4.200 2.523 2.125 3.347 . 0 0 "[ . 1]" 1
3601 3 134 VAL QG 3 136 TYR H 5.500 . 6.500 4.263 3.688 5.187 . 0 0 "[ . 1]" 1
3602 3 134 VAL H 3 134 VAL HB 3.300 . 3.800 3.238 2.704 3.907 0.107 5 0 "[ . 1]" 1
3603 3 135 THR HA 3 135 THR MG 3.500 . 4.200 2.269 2.148 2.355 . 0 0 "[ . 1]" 1
3604 3 135 THR HA 3 136 TYR QB 5.500 . 6.500 4.558 4.493 4.608 . 0 0 "[ . 1]" 1
3605 3 135 THR HA 3 136 TYR QD 4.500 . 5.250 3.866 3.252 4.721 . 0 0 "[ . 1]" 1
3606 3 135 THR HA 3 136 TYR H 3.300 . 3.800 2.192 2.170 2.249 . 0 0 "[ . 1]" 1
3607 3 135 THR HB 3 136 TYR H 5.500 . 6.500 4.105 3.924 4.233 . 0 0 "[ . 1]" 1
3608 3 135 THR MG 3 136 TYR HA 5.500 . 6.500 4.018 3.857 4.672 . 0 0 "[ . 1]" 1
3609 3 135 THR MG 3 136 TYR H 3.500 . 4.200 2.673 2.417 3.012 . 0 0 "[ . 1]" 1
3610 3 135 THR H 3 135 THR HB 3.300 . 3.800 2.826 2.748 3.131 . 0 0 "[ . 1]" 1
3611 3 135 THR H 3 136 TYR H 5.500 . 6.500 4.296 4.182 4.400 . 0 0 "[ . 1]" 1
3612 3 136 TYR HA 3 136 TYR QD 2.800 . 3.100 2.815 2.261 3.130 0.030 7 0 "[ . 1]" 1
3613 3 136 TYR HA 3 136 TYR QE 4.500 . 5.250 4.688 4.379 4.820 . 0 0 "[ . 1]" 1
3614 3 136 TYR HA 3 137 ASP QB 5.500 . 6.500 4.307 3.979 4.489 . 0 0 "[ . 1]" 1
3615 3 136 TYR HA 3 137 ASP H 3.300 . 3.800 2.455 2.271 3.528 . 0 0 "[ . 1]" 1
3616 3 136 TYR HA 3 138 SER H 5.500 . 6.500 4.237 3.517 5.200 . 0 0 "[ . 1]" 1
3617 3 136 TYR HA 3 141 ALA MB 5.500 . 6.500 4.704 4.334 5.148 . 0 0 "[ . 1]" 1
3618 3 136 TYR QB 3 136 TYR QD 2.800 . 3.100 2.158 2.143 2.180 . 0 0 "[ . 1]" 1
3619 3 136 TYR QB 3 137 ASP H 4.500 . 5.250 2.830 1.773 3.145 0.027 6 0 "[ . 1]" 1
3620 3 136 TYR QB 3 138 SER H 3.500 . 4.200 2.889 2.250 3.253 . 0 0 "[ . 1]" 1
3621 3 136 TYR QB 3 141 ALA MB 3.500 . 4.200 2.549 2.162 2.886 . 0 0 "[ . 1]" 1
3622 3 136 TYR QB 3 142 VAL QG 4.500 . 5.250 2.953 2.504 3.659 . 0 0 "[ . 1]" 1
3623 3 136 TYR QD 3 137 ASP H 4.500 . 5.250 4.161 3.579 4.416 . 0 0 "[ . 1]" 1
3624 3 136 TYR QD 3 138 SER H 5.500 . 6.500 4.941 4.390 5.276 . 0 0 "[ . 1]" 1
3625 3 136 TYR QD 3 141 ALA MB 3.500 . 4.200 2.995 2.585 3.280 . 0 0 "[ . 1]" 1
3626 3 136 TYR QD 3 142 VAL HA 3.500 . 4.200 3.899 3.144 4.249 0.049 7 0 "[ . 1]" 1
3627 3 136 TYR QD 3 142 VAL QG 3.500 . 4.200 2.365 2.085 3.355 . 0 0 "[ . 1]" 1
3628 3 136 TYR QE 3 137 ASP H 5.500 . 6.500 6.314 5.771 6.521 0.021 9 0 "[ . 1]" 1
3629 3 136 TYR QE 3 141 ALA MB 3.500 . 4.200 3.677 3.368 3.848 . 0 0 "[ . 1]" 1
3630 3 136 TYR QE 3 142 VAL HA 3.500 . 4.200 3.716 3.395 4.222 0.022 3 0 "[ . 1]" 1
3631 3 136 TYR QE 3 142 VAL QG 5.500 . 6.500 3.219 2.863 4.287 . 0 0 "[ . 1]" 1
3632 3 136 TYR QE 3 145 VAL HB 4.500 . 5.250 4.910 4.125 5.268 0.018 7 0 "[ . 1]" 1
3633 3 136 TYR QE 3 145 VAL QG 3.500 . 4.200 3.328 2.750 3.818 . 0 0 "[ . 1]" 1
3634 3 136 TYR H 3 136 TYR QD 3.500 . 4.200 2.684 2.082 3.488 . 0 0 "[ . 1]" 1
3635 3 136 TYR H 3 136 TYR QE 5.500 . 6.500 4.541 4.108 5.048 . 0 0 "[ . 1]" 1
3636 3 136 TYR H 3 137 ASP H 5.500 . 6.500 4.370 2.919 4.557 . 0 0 "[ . 1]" 1
3637 3 136 TYR H 3 138 SER H 5.500 . 6.500 5.173 4.031 5.799 . 0 0 "[ . 1]" 1
3638 3 136 TYR H 3 141 ALA MB 5.500 . 6.500 5.131 4.558 5.576 . 0 0 "[ . 1]" 1
3639 3 136 TYR H 3 142 VAL QG 5.500 . 6.500 3.801 3.237 4.767 . 0 0 "[ . 1]" 1
3640 3 137 ASP HA 3 138 SER H 3.300 . 3.800 3.429 3.102 3.575 . 0 0 "[ . 1]" 1
3641 3 137 ASP H 3 138 SER H 3.300 . 3.800 2.744 2.481 2.877 . 0 0 "[ . 1]" 1
3642 3 137 ASP H 3 141 ALA MB 5.500 . 6.500 5.031 4.446 5.377 . 0 0 "[ . 1]" 1
3643 3 138 SER HA 3 139 ALA MB 3.500 . 4.200 4.072 3.985 4.216 0.016 8 0 "[ . 1]" 1
3644 3 138 SER HA 3 139 ALA H 2.800 . 3.100 2.437 2.230 2.596 . 0 0 "[ . 1]" 1
3645 3 138 SER HA 3 141 ALA MB 5.500 . 6.500 5.410 4.397 6.002 . 0 0 "[ . 1]" 1
3646 3 138 SER QB 3 139 ALA H 4.500 . 5.250 2.810 2.113 3.581 . 0 0 "[ . 1]" 1
3647 3 138 SER QB 3 141 ALA H 3.500 . 4.200 3.106 2.064 4.076 . 0 0 "[ . 1]" 1
3648 3 138 SER H 3 141 ALA MB 4.500 . 5.250 4.197 3.424 4.650 . 0 0 "[ . 1]" 1
3649 3 139 ALA HA 3 140 ASP H 3.300 . 3.800 3.395 3.342 3.449 . 0 0 "[ . 1]" 1
3650 3 139 ALA HA 3 142 VAL HB 3.500 . 4.200 3.106 2.345 4.349 0.149 10 0 "[ . 1]" 1
3651 3 139 ALA HA 3 142 VAL QG 3.500 . 4.200 2.331 2.080 2.942 . 0 0 "[ . 1]" 1
3652 3 139 ALA HA 3 142 VAL H 4.500 . 5.250 3.031 2.817 3.233 . 0 0 "[ . 1]" 1
3653 3 139 ALA HA 3 143 ASP H 4.500 . 5.250 4.302 3.967 4.527 . 0 0 "[ . 1]" 1
3654 3 139 ALA MB 3 140 ASP H 3.500 . 4.200 3.016 2.744 3.214 . 0 0 "[ . 1]" 1
3655 3 139 ALA H 3 139 ALA MB 2.800 . 3.100 2.308 2.172 2.445 . 0 0 "[ . 1]" 1
3656 3 139 ALA H 3 140 ASP H 3.300 . 3.800 2.120 2.000 2.401 . 0 0 "[ . 1]" 1
3657 3 139 ALA H 3 141 ALA H 5.500 . 6.500 4.259 4.027 4.550 . 0 0 "[ . 1]" 1
3658 3 140 ASP HA 3 141 ALA H 3.300 . 3.800 3.573 3.546 3.593 . 0 0 "[ . 1]" 1
3659 3 140 ASP HA 3 143 ASP QB 2.800 . 3.100 2.821 2.393 3.110 0.010 2 0 "[ . 1]" 1
3660 3 140 ASP HA 3 143 ASP H 3.500 . 4.200 3.600 3.350 3.794 . 0 0 "[ . 1]" 1
3661 3 140 ASP HA 3 144 ARG H 4.500 . 5.250 4.192 4.112 4.263 . 0 0 "[ . 1]" 1
3662 3 140 ASP QB 3 141 ALA H 3.500 . 4.200 2.469 2.273 2.619 . 0 0 "[ . 1]" 1
3663 3 140 ASP H 3 140 ASP QB 3.500 . 4.200 2.371 2.245 2.520 . 0 0 "[ . 1]" 1
3664 3 140 ASP H 3 141 ALA H 3.300 . 3.800 2.828 2.796 2.859 . 0 0 "[ . 1]" 1
3665 3 140 ASP H 3 142 VAL H 5.500 . 6.500 4.197 3.996 4.729 . 0 0 "[ . 1]" 1
3666 3 141 ALA HA 3 142 VAL H 5.500 . 6.500 3.555 3.527 3.617 . 0 0 "[ . 1]" 1
3667 3 141 ALA HA 3 144 ARG QB 3.500 . 4.200 2.237 2.094 2.329 . 0 0 "[ . 1]" 1
3668 3 141 ALA HA 3 144 ARG QD 3.500 . 4.200 3.213 2.706 3.487 . 0 0 "[ . 1]" 1
3669 3 141 ALA HA 3 144 ARG QG 3.500 . 4.200 4.185 4.024 4.291 0.091 4 0 "[ . 1]" 1
3670 3 141 ALA HA 3 144 ARG H 4.500 . 5.250 3.308 3.177 3.577 . 0 0 "[ . 1]" 1
3671 3 141 ALA HA 3 145 VAL QG 5.500 . 6.500 4.688 3.664 5.024 . 0 0 "[ . 1]" 1
3672 3 141 ALA HA 3 145 VAL H 5.500 . 6.500 3.891 3.750 4.113 . 0 0 "[ . 1]" 1
3673 3 141 ALA MB 3 142 VAL H 3.500 . 4.200 2.546 2.355 2.724 . 0 0 "[ . 1]" 1
3674 3 141 ALA MB 3 143 ASP H 5.500 . 6.500 4.792 4.624 4.984 . 0 0 "[ . 1]" 1
3675 3 141 ALA MB 3 144 ARG H 5.500 . 6.500 4.353 4.264 4.501 . 0 0 "[ . 1]" 1
3676 3 141 ALA MB 3 145 VAL H 5.500 . 6.500 4.315 4.156 4.500 . 0 0 "[ . 1]" 1
3677 3 141 ALA H 3 141 ALA MB 2.800 . 3.100 2.160 2.045 2.260 . 0 0 "[ . 1]" 1
3678 3 141 ALA H 3 142 VAL H 2.800 . 3.100 2.731 2.624 2.965 . 0 0 "[ . 1]" 1
3679 3 141 ALA H 3 143 ASP H 4.500 . 5.250 4.545 4.387 4.712 . 0 0 "[ . 1]" 1
3680 3 142 VAL HA 3 142 VAL QG 2.800 . 3.100 2.103 2.038 2.384 . 0 0 "[ . 1]" 1
3681 3 142 VAL HA 3 143 ASP H 4.500 . 5.250 3.588 3.570 3.599 . 0 0 "[ . 1]" 1
3682 3 142 VAL HA 3 145 VAL HB 4.500 . 5.250 4.505 4.003 5.332 0.082 6 0 "[ . 1]" 1
3683 3 142 VAL HA 3 145 VAL QG 4.500 . 5.250 2.395 2.168 2.623 . 0 0 "[ . 1]" 1
3684 3 142 VAL HA 3 145 VAL H 4.500 . 5.250 3.724 3.428 3.928 . 0 0 "[ . 1]" 1
3685 3 142 VAL HA 3 146 CYS H 5.500 . 6.500 4.038 3.852 4.297 . 0 0 "[ . 1]" 1
3686 3 142 VAL HB 3 143 ASP H 3.300 . 3.800 2.367 2.068 3.904 0.104 10 0 "[ . 1]" 1
3687 3 142 VAL QG 3 143 ASP H 4.500 . 5.250 2.792 1.698 3.009 0.102 10 0 "[ . 1]" 1
3688 3 142 VAL QG 3 146 CYS QB 5.500 . 6.500 3.730 3.078 4.362 . 0 0 "[ . 1]" 1
3689 3 142 VAL QG 3 146 CYS H 5.500 . 6.500 3.965 3.730 4.265 . 0 0 "[ . 1]" 1
3690 3 142 VAL QG 3 162 ARG HA 3.500 . 4.200 3.433 2.523 3.912 . 0 0 "[ . 1]" 1
3691 3 142 VAL QG 3 162 ARG QD 5.500 . 6.500 3.479 1.964 4.415 . 0 0 "[ . 1]" 1
3692 3 142 VAL H 3 142 VAL HB 3.300 . 3.800 2.564 2.430 2.832 . 0 0 "[ . 1]" 1
3693 3 142 VAL H 3 142 VAL QG 3.500 . 4.200 2.072 1.774 2.325 0.026 10 0 "[ . 1]" 1
3694 3 142 VAL H 3 143 ASP H 3.300 . 3.800 2.905 2.837 2.999 . 0 0 "[ . 1]" 1
3695 3 143 ASP HA 3 146 CYS QB 3.500 . 4.200 2.312 2.077 2.536 . 0 0 "[ . 1]" 1
3696 3 143 ASP HA 3 146 CYS H 5.500 . 6.500 3.467 3.288 3.650 . 0 0 "[ . 1]" 1
3697 3 143 ASP QB 3 144 ARG H 4.500 . 5.250 2.856 2.710 3.013 . 0 0 "[ . 1]" 1
3698 3 143 ASP H 3 143 ASP QB 3.500 . 4.200 2.400 2.235 2.454 . 0 0 "[ . 1]" 1
3699 3 143 ASP H 3 144 ARG H 4.500 . 5.250 2.699 2.649 2.766 . 0 0 "[ . 1]" 1
3700 3 144 ARG HA 3 144 ARG QD 3.500 . 4.200 4.118 3.973 4.186 . 0 0 "[ . 1]" 1
3701 3 144 ARG HA 3 147 GLN QE 5.500 . 6.500 5.277 2.553 6.502 0.002 4 0 "[ . 1]" 1
3702 3 144 ARG HA 3 147 GLN H 3.500 . 4.200 4.237 4.130 4.303 0.103 10 0 "[ . 1]" 1
3703 3 144 ARG QB 3 144 ARG QD 2.800 . 3.100 2.262 2.088 2.333 . 0 0 "[ . 1]" 1
3704 3 144 ARG QB 3 145 VAL HA 3.500 . 4.200 4.102 4.039 4.139 . 0 0 "[ . 1]" 1
3705 3 144 ARG QB 3 145 VAL H 4.500 . 5.250 2.097 2.040 2.189 . 0 0 "[ . 1]" 1
3706 3 144 ARG QB 3 144 ARG HE 4.500 . 5.250 2.780 1.986 4.009 . 0 0 "[ . 1]" 1
3707 3 144 ARG H 3 144 ARG QB 3.500 . 4.200 2.309 2.285 2.347 . 0 0 "[ . 1]" 1
3708 3 144 ARG H 3 144 ARG QD 4.500 . 5.250 4.682 4.443 4.807 . 0 0 "[ . 1]" 1
3709 3 144 ARG H 3 144 ARG QG 4.500 . 5.250 4.002 3.982 4.030 . 0 0 "[ . 1]" 1
3710 3 144 ARG H 3 145 VAL H 3.300 . 3.800 2.827 2.650 2.956 . 0 0 "[ . 1]" 1
3711 3 145 VAL HA 3 145 VAL HB 2.800 . 3.100 2.512 2.246 2.588 . 0 0 "[ . 1]" 1
3712 3 145 VAL HA 3 145 VAL QG 2.800 . 3.100 2.295 2.212 2.603 . 0 0 "[ . 1]" 1
3713 3 145 VAL HA 3 146 CYS H 3.300 . 3.800 3.494 3.457 3.516 . 0 0 "[ . 1]" 1
3714 3 145 VAL HA 3 148 ASN H 5.500 . 6.500 3.185 3.065 3.304 . 0 0 "[ . 1]" 1
3715 3 145 VAL HA 3 149 LYS H 5.500 . 6.500 6.515 6.233 6.660 0.160 3 0 "[ . 1]" 1
3716 3 145 VAL HA 3 151 ILE MD 5.500 . 6.500 4.413 3.965 5.022 . 0 0 "[ . 1]" 1
3717 3 145 VAL HA 3 160 ILE MD 5.500 . 6.500 5.104 4.298 5.903 . 0 0 "[ . 1]" 1
3718 3 145 VAL HA 3 160 ILE MG 5.500 . 6.500 5.337 5.155 5.754 . 0 0 "[ . 1]" 1
3719 3 145 VAL QG 3 146 CYS H 3.500 . 4.200 2.212 2.053 2.372 . 0 0 "[ . 1]" 1
3720 3 145 VAL QG 3 148 ASN QB 5.500 . 6.500 2.544 2.105 4.256 . 0 0 "[ . 1]" 1
3721 3 145 VAL QG 3 148 ASN H 5.500 . 6.500 3.408 3.277 3.674 . 0 0 "[ . 1]" 1
3722 3 145 VAL QG 3 151 ILE MD 5.500 . 6.500 2.301 1.912 3.846 . 0 0 "[ . 1]" 1
3723 3 145 VAL QG 3 151 ILE MG 5.500 . 6.500 4.083 3.802 4.524 . 0 0 "[ . 1]" 1
3724 3 145 VAL QG 3 160 ILE HB 5.500 . 6.500 3.400 3.183 3.602 . 0 0 "[ . 1]" 1
3725 3 145 VAL QG 3 160 ILE MD 3.500 . 4.200 2.158 1.762 2.613 0.038 7 0 "[ . 1]" 1
3726 3 145 VAL QG 3 160 ILE MG 2.800 . 3.100 2.206 2.005 2.414 . 0 0 "[ . 1]" 1
3727 3 145 VAL H 3 145 VAL HB 3.300 . 3.800 2.500 2.336 3.197 . 0 0 "[ . 1]" 1
3728 3 145 VAL H 3 145 VAL QG 3.500 . 4.200 2.201 1.660 2.438 0.140 6 0 "[ . 1]" 1
3729 3 145 VAL H 3 146 CYS H 3.300 . 3.800 2.645 2.598 2.736 . 0 0 "[ . 1]" 1
3730 3 145 VAL H 3 147 GLN H 5.500 . 6.500 4.858 4.639 5.028 . 0 0 "[ . 1]" 1
3731 3 146 CYS HA 3 147 GLN H 4.500 . 5.250 3.588 3.540 3.610 . 0 0 "[ . 1]" 1
3732 3 146 CYS HA 3 148 ASN H 4.500 . 5.250 3.778 3.671 3.908 . 0 0 "[ . 1]" 1
3733 3 146 CYS HA 3 160 ILE MG 5.500 . 6.500 3.738 3.370 4.248 . 0 0 "[ . 1]" 1
3734 3 146 CYS QB 3 147 GLN H 5.500 . 6.500 2.290 2.172 2.367 . 0 0 "[ . 1]" 1
3735 3 146 CYS H 3 146 CYS QB 3.500 . 4.200 2.327 2.111 2.470 . 0 0 "[ . 1]" 1
3736 3 146 CYS H 3 147 GLN H 3.300 . 3.800 3.057 2.876 3.123 . 0 0 "[ . 1]" 1
3737 3 146 CYS H 3 148 ASN H 5.500 . 6.500 3.949 3.885 4.095 . 0 0 "[ . 1]" 1
3738 3 146 CYS H 3 160 ILE MG 5.500 . 6.500 4.848 4.553 5.269 . 0 0 "[ . 1]" 1
3739 3 147 GLN HA 3 147 GLN QE 5.500 . 6.500 4.502 3.118 5.524 . 0 0 "[ . 1]" 1
3740 3 147 GLN HA 3 147 GLN QG 2.800 . 3.100 2.812 2.339 3.270 0.170 9 0 "[ . 1]" 1
3741 3 147 GLN HA 3 148 ASN H 4.500 . 5.250 3.463 3.429 3.534 . 0 0 "[ . 1]" 1
3742 3 147 GLN QB 3 148 ASN H 3.500 . 4.200 3.141 2.767 3.563 . 0 0 "[ . 1]" 1
3743 3 147 GLN H 3 147 GLN QB 3.500 . 4.200 2.453 2.240 2.781 . 0 0 "[ . 1]" 1
3744 3 147 GLN H 3 147 GLN QG 3.500 . 4.200 2.662 1.771 3.965 0.029 1 0 "[ . 1]" 1
3745 3 147 GLN H 3 148 ASN H 3.300 . 3.800 2.759 2.683 2.891 . 0 0 "[ . 1]" 1
3746 3 148 ASN HA 3 149 LYS H 5.500 . 6.500 2.493 2.378 2.584 . 0 0 "[ . 1]" 1
3747 3 148 ASN HA 3 151 ILE MG 5.500 . 6.500 6.246 5.924 6.517 0.017 8 0 "[ . 1]" 1
3748 3 148 ASN QB 3 151 ILE HB 4.500 . 5.250 4.953 3.431 5.387 0.137 3 0 "[ . 1]" 1
3749 3 148 ASN QB 3 151 ILE MD 5.500 . 6.500 2.971 2.195 3.957 . 0 0 "[ . 1]" 1
3750 3 148 ASN QB 3 151 ILE QG 4.500 . 5.250 2.980 2.254 5.316 0.066 8 0 "[ . 1]" 1
3751 3 148 ASN QB 3 151 ILE MG 5.500 . 6.500 4.270 3.835 5.025 . 0 0 "[ . 1]" 1
3752 3 148 ASN QB 3 160 ILE MD 5.500 . 6.500 4.251 3.255 5.685 . 0 0 "[ . 1]" 1
3753 3 148 ASN H 3 148 ASN QB 3.500 . 4.200 2.525 2.421 2.881 . 0 0 "[ . 1]" 1
3754 3 148 ASN H 3 149 LYS H 5.500 . 6.500 3.746 3.543 4.063 . 0 0 "[ . 1]" 1
3755 3 148 ASN H 3 160 ILE MD 5.500 . 6.500 5.650 4.722 6.519 0.019 1 0 "[ . 1]" 1
3756 3 149 LYS HA 3 149 LYS QD 3.500 . 4.200 3.946 3.770 4.011 . 0 0 "[ . 1]" 1
3757 3 149 LYS HA 3 149 LYS QG 3.500 . 4.200 2.373 2.303 2.429 . 0 0 "[ . 1]" 1
3758 3 149 LYS HA 3 150 PHE HA 5.500 . 6.500 4.582 4.484 4.727 . 0 0 "[ . 1]" 1
3759 3 149 LYS HA 3 150 PHE QD 4.500 . 5.250 4.684 4.162 5.300 0.050 4 0 "[ . 1]" 1
3760 3 149 LYS HA 3 150 PHE QE 5.500 . 6.500 5.920 5.343 6.411 . 0 0 "[ . 1]" 1
3761 3 149 LYS HA 3 150 PHE H 3.300 . 3.800 3.471 3.366 3.563 . 0 0 "[ . 1]" 1
3762 3 149 LYS HA 3 160 ILE MD 5.500 . 6.500 4.281 3.112 5.158 . 0 0 "[ . 1]" 1
3763 3 149 LYS HA 3 160 ILE H 4.500 . 5.250 3.118 2.954 3.339 . 0 0 "[ . 1]" 1
3764 3 149 LYS QB 3 150 PHE QD 2.800 . 3.100 2.510 2.263 2.850 . 0 0 "[ . 1]" 1
3765 3 149 LYS QB 3 150 PHE H 4.500 . 5.250 2.501 1.774 3.243 0.026 8 0 "[ . 1]" 1
3766 3 149 LYS QB 3 150 PHE HZ 5.500 . 6.500 5.766 4.780 6.077 . 0 0 "[ . 1]" 1
3767 3 149 LYS QD 3 150 PHE QD 3.500 . 4.200 3.292 2.474 4.225 0.025 4 0 "[ . 1]" 1
3768 3 149 LYS QD 3 150 PHE QE 3.500 . 4.200 2.684 2.256 3.647 . 0 0 "[ . 1]" 1
3769 3 149 LYS QD 3 150 PHE HZ 4.500 . 5.250 4.546 3.641 5.295 0.045 7 0 "[ . 1]" 1
3770 3 149 LYS QE 3 150 PHE QE 3.500 . 4.200 2.634 2.131 3.389 . 0 0 "[ . 1]" 1
3771 3 149 LYS QE 3 150 PHE HZ 3.500 . 4.200 3.814 3.065 4.228 0.028 2 0 "[ . 1]" 1
3772 3 149 LYS QG 3 150 PHE HA 5.500 . 6.500 3.705 3.295 4.217 . 0 0 "[ . 1]" 1
3773 3 149 LYS QG 3 150 PHE QD 2.800 . 3.100 2.817 2.251 3.157 0.057 9 0 "[ . 1]" 1
3774 3 149 LYS QG 3 150 PHE QE 3.500 . 4.200 3.156 2.438 3.651 . 0 0 "[ . 1]" 1
3775 3 149 LYS QG 3 150 PHE HZ 4.500 . 5.250 4.618 3.745 5.259 0.009 8 0 "[ . 1]" 1
3776 3 149 LYS H 3 149 LYS QB 3.500 . 4.200 2.258 2.217 2.294 . 0 0 "[ . 1]" 1
3777 3 149 LYS H 3 150 PHE H 4.500 . 5.250 2.920 2.443 3.413 . 0 0 "[ . 1]" 1
3778 3 150 PHE HA 3 150 PHE QD 2.800 . 3.100 2.933 2.795 3.016 . 0 0 "[ . 1]" 1
3779 3 150 PHE HA 3 150 PHE QE 5.500 . 6.500 4.499 4.434 4.594 . 0 0 "[ . 1]" 1
3780 3 150 PHE HA 3 151 ILE HA 5.500 . 6.500 4.463 4.443 4.483 . 0 0 "[ . 1]" 1
3781 3 150 PHE HA 3 151 ILE QG 5.500 . 6.500 4.094 3.513 5.866 . 0 0 "[ . 1]" 1
3782 3 150 PHE HA 3 151 ILE MG 5.500 . 6.500 5.173 3.782 5.522 . 0 0 "[ . 1]" 1
3783 3 150 PHE HA 3 151 ILE H 3.300 . 3.800 2.200 2.172 2.226 . 0 0 "[ . 1]" 1
3784 3 150 PHE HA 3 157 LYS QB 4.500 . 5.250 4.603 3.671 5.279 0.029 10 0 "[ . 1]" 1
3785 3 150 PHE HA 3 157 LYS QG 4.500 . 5.250 4.468 3.517 5.347 0.097 7 0 "[ . 1]" 1
3786 3 150 PHE HA 3 158 ILE H 5.500 . 6.500 4.202 3.331 5.199 . 0 0 "[ . 1]" 1
3787 3 150 PHE HA 3 159 GLU HA 3.500 . 4.200 2.422 2.200 2.642 . 0 0 "[ . 1]" 1
3788 3 150 PHE HA 3 159 GLU QB 4.500 . 5.250 4.263 4.041 4.462 . 0 0 "[ . 1]" 1
3789 3 150 PHE HA 3 159 GLU QG 4.500 . 5.250 3.752 3.202 4.297 . 0 0 "[ . 1]" 1
3790 3 150 PHE HA 3 159 GLU H 5.500 . 6.500 4.694 4.206 4.984 . 0 0 "[ . 1]" 1
3791 3 150 PHE HA 3 160 ILE HB 4.500 . 5.250 5.223 5.111 5.271 0.021 8 0 "[ . 1]" 1
3792 3 150 PHE HA 3 160 ILE MD 5.500 . 6.500 4.959 4.363 5.668 . 0 0 "[ . 1]" 1
3793 3 150 PHE HA 3 160 ILE H 5.500 . 6.500 3.524 3.110 3.978 . 0 0 "[ . 1]" 1
3794 3 150 PHE QB 3 150 PHE QD 2.800 . 3.100 2.154 2.148 2.170 . 0 0 "[ . 1]" 1
3795 3 150 PHE QB 3 151 ILE MD 5.500 . 6.500 5.815 5.676 5.956 . 0 0 "[ . 1]" 1
3796 3 150 PHE QB 3 151 ILE MG 5.500 . 6.500 5.382 4.826 5.550 . 0 0 "[ . 1]" 1
3797 3 150 PHE QB 3 151 ILE H 5.500 . 6.500 3.314 3.101 3.442 . 0 0 "[ . 1]" 1
3798 3 150 PHE QB 3 159 GLU HA 4.500 . 5.250 4.281 4.073 4.545 . 0 0 "[ . 1]" 1
3799 3 150 PHE QD 3 157 LYS HA 4.500 . 5.250 4.914 4.434 5.330 0.080 2 0 "[ . 1]" 1
3800 3 150 PHE QD 3 157 LYS QG 3.300 . 4.000 2.849 2.339 3.563 . 0 0 "[ . 1]" 1
3801 3 150 PHE QD 3 158 ILE H 5.500 . 6.500 4.341 3.645 5.538 . 0 0 "[ . 1]" 1
3802 3 150 PHE QD 3 159 GLU HA 3.500 . 4.200 3.598 3.244 3.879 . 0 0 "[ . 1]" 1
3803 3 150 PHE QD 3 159 GLU QB 3.500 . 4.200 4.062 3.349 4.329 0.129 10 0 "[ . 1]" 1
3804 3 150 PHE QD 3 159 GLU QG 3.500 . 4.200 3.054 2.437 3.788 . 0 0 "[ . 1]" 1
3805 3 150 PHE QD 3 160 ILE H 5.500 . 6.500 4.757 4.409 5.176 . 0 0 "[ . 1]" 1
3806 3 150 PHE QE 3 157 LYS QB 4.500 . 5.250 4.285 3.648 4.650 . 0 0 "[ . 1]" 1
3807 3 150 PHE QE 3 157 LYS QG 4.500 . 5.250 4.248 2.757 5.286 0.036 9 0 "[ . 1]" 1
3808 3 150 PHE QE 3 159 GLU HA 3.500 . 4.200 4.174 3.785 4.410 0.210 10 0 "[ . 1]" 1
3809 3 150 PHE QE 3 159 GLU QB 3.500 . 4.200 3.426 2.306 4.064 . 0 0 "[ . 1]" 1
3810 3 150 PHE QE 3 159 GLU QG 3.500 . 4.200 2.505 2.047 3.179 . 0 0 "[ . 1]" 1
3811 3 150 PHE H 3 150 PHE QB 3.500 . 4.200 2.452 2.298 2.635 . 0 0 "[ . 1]" 1
3812 3 150 PHE H 3 151 ILE H 5.500 . 6.500 4.401 4.169 4.612 . 0 0 "[ . 1]" 1
3813 3 150 PHE HZ 3 157 LYS QB 5.500 . 6.500 6.331 5.817 6.544 0.044 1 0 "[ . 1]" 1
3814 3 150 PHE HZ 3 159 GLU HA 5.500 . 6.500 5.121 4.719 5.710 . 0 0 "[ . 1]" 1
3815 3 150 PHE HZ 3 159 GLU QB 4.500 . 5.250 3.899 2.963 4.974 . 0 0 "[ . 1]" 1
3816 3 150 PHE HZ 3 159 GLU QG 4.500 . 5.250 3.166 2.826 3.987 . 0 0 "[ . 1]" 1
3817 3 151 ILE HA 3 151 ILE HB 2.800 . 3.100 2.925 2.479 3.036 . 0 0 "[ . 1]" 1
3818 3 151 ILE HA 3 151 ILE MD 3.500 . 4.200 3.637 3.027 3.839 . 0 0 "[ . 1]" 1
3819 3 151 ILE HA 3 151 ILE QG 3.500 . 4.200 2.396 2.256 2.472 . 0 0 "[ . 1]" 1
3820 3 151 ILE HA 3 151 ILE MG 3.500 . 4.200 2.497 2.213 3.228 . 0 0 "[ . 1]" 1
3821 3 151 ILE HA 3 152 ASP H 5.500 . 6.500 2.287 2.212 2.354 . 0 0 "[ . 1]" 1
3822 3 151 ILE HA 3 158 ILE H 5.500 . 6.500 4.811 4.249 5.246 . 0 0 "[ . 1]" 1
3823 3 151 ILE HA 3 160 ILE MD 5.500 . 6.500 5.278 4.456 5.902 . 0 0 "[ . 1]" 1
3824 3 151 ILE HB 3 152 ASP H 3.500 . 4.200 3.936 3.751 4.105 . 0 0 "[ . 1]" 1
3825 3 151 ILE MD 3 152 ASP H 5.500 . 6.500 4.549 3.659 4.965 . 0 0 "[ . 1]" 1
3826 3 151 ILE MD 3 158 ILE MD 5.500 . 6.500 3.250 2.513 4.902 . 0 0 "[ . 1]" 1
3827 3 151 ILE MD 3 160 ILE MD 3.500 . 4.200 2.191 1.871 2.909 . 0 0 "[ . 1]" 1
3828 3 151 ILE QG 3 152 ASP H 4.500 . 5.250 3.681 1.880 4.178 . 0 0 "[ . 1]" 1
3829 3 151 ILE MG 3 152 ASP HA 5.500 . 6.500 4.074 3.882 4.452 . 0 0 "[ . 1]" 1
3830 3 151 ILE MG 3 152 ASP H 3.500 . 4.200 2.407 1.814 3.759 . 0 0 "[ . 1]" 1
3831 3 151 ILE MG 3 153 PHE HA 5.500 . 6.500 4.294 3.682 5.139 . 0 0 "[ . 1]" 1
3832 3 151 ILE MG 3 153 PHE QB 5.500 . 6.500 3.689 3.064 4.212 . 0 0 "[ . 1]" 1
3833 3 151 ILE MG 3 158 ILE MD 5.500 . 6.500 2.880 2.059 3.335 . 0 0 "[ . 1]" 1
3834 3 151 ILE MG 3 160 ILE MD 3.500 . 4.200 3.642 1.940 4.225 0.025 4 0 "[ . 1]" 1
3835 3 151 ILE H 3 151 ILE HB 3.300 . 3.800 2.797 2.595 3.258 . 0 0 "[ . 1]" 1
3836 3 151 ILE H 3 151 ILE MG 4.500 . 5.250 3.580 2.193 3.920 . 0 0 "[ . 1]" 1
3837 3 151 ILE H 3 152 ASP H 5.500 . 6.500 4.472 4.383 4.527 . 0 0 "[ . 1]" 1
3838 3 151 ILE H 3 157 LYS HA 4.500 . 5.250 4.342 3.189 5.272 0.022 2 0 "[ . 1]" 1
3839 3 151 ILE H 3 158 ILE QG 4.500 . 5.250 2.427 2.039 2.830 . 0 0 "[ . 1]" 1
3840 3 151 ILE H 3 158 ILE H 4.500 . 5.250 2.842 2.035 3.622 . 0 0 "[ . 1]" 1
3841 3 151 ILE H 3 159 GLU HA 5.500 . 6.500 3.763 3.589 4.058 . 0 0 "[ . 1]" 1
3842 3 151 ILE H 3 160 ILE MD 5.500 . 6.500 4.371 4.027 4.934 . 0 0 "[ . 1]" 1
3843 3 152 ASP HA 3 153 PHE QD 5.500 . 6.500 5.906 5.699 5.995 . 0 0 "[ . 1]" 1
3844 3 152 ASP HA 3 153 PHE H 3.300 . 3.800 2.229 2.181 2.387 . 0 0 "[ . 1]" 1
3845 3 152 ASP HA 3 156 ARG H 5.500 . 6.500 5.715 3.800 6.552 0.052 10 0 "[ . 1]" 1
3846 3 152 ASP HA 3 157 LYS HA 2.800 . 3.100 2.598 2.262 2.981 . 0 0 "[ . 1]" 1
3847 3 152 ASP HA 3 157 LYS QB 4.500 . 5.250 4.102 3.321 4.745 . 0 0 "[ . 1]" 1
3848 3 152 ASP HA 3 157 LYS QE 4.500 . 5.250 4.784 3.652 5.285 0.035 4 0 "[ . 1]" 1
3849 3 152 ASP HA 3 157 LYS QG 4.500 . 5.250 4.080 2.664 5.319 0.069 2 0 "[ . 1]" 1
3850 3 152 ASP HA 3 157 LYS H 5.500 . 6.500 4.722 3.692 5.361 . 0 0 "[ . 1]" 1
3851 3 152 ASP HA 3 158 ILE MG 5.500 . 6.500 4.514 4.072 5.138 . 0 0 "[ . 1]" 1
3852 3 152 ASP HA 3 158 ILE H 4.500 . 5.250 3.793 3.325 4.207 . 0 0 "[ . 1]" 1
3853 3 152 ASP QB 3 153 PHE H 3.500 . 4.200 3.576 2.596 4.003 . 0 0 "[ . 1]" 1
3854 3 152 ASP QB 3 157 LYS HA 4.500 . 5.250 4.408 3.734 4.802 . 0 0 "[ . 1]" 1
3855 3 152 ASP H 3 152 ASP QB 3.500 . 4.200 2.409 2.275 2.706 . 0 0 "[ . 1]" 1
3856 3 152 ASP H 3 153 PHE H 5.500 . 6.500 4.469 4.145 4.661 . 0 0 "[ . 1]" 1
3857 3 153 PHE HA 3 153 PHE QD 2.800 . 3.100 2.244 2.030 2.619 . 0 0 "[ . 1]" 1
3858 3 153 PHE HA 3 153 PHE QE 5.500 . 6.500 4.344 4.190 4.489 . 0 0 "[ . 1]" 1
3859 3 153 PHE HA 3 154 LYS H 4.500 . 5.250 2.634 2.471 2.742 . 0 0 "[ . 1]" 1
3860 3 153 PHE HA 3 158 ILE MD 4.500 . 5.250 4.141 3.708 4.612 . 0 0 "[ . 1]" 1
3861 3 153 PHE HA 3 158 ILE MG 5.500 . 6.500 4.276 3.913 4.691 . 0 0 "[ . 1]" 1
3862 3 153 PHE HA 3 158 ILE H 5.500 . 6.500 6.022 5.515 6.380 . 0 0 "[ . 1]" 1
3863 3 153 PHE QB 3 154 LYS QB 4.500 . 5.250 4.182 3.908 4.984 . 0 0 "[ . 1]" 1
3864 3 153 PHE QB 3 158 ILE MD 3.500 . 4.200 2.212 2.040 2.638 . 0 0 "[ . 1]" 1
3865 3 153 PHE QB 3 158 ILE QG 5.500 . 6.500 2.631 2.044 3.601 . 0 0 "[ . 1]" 1
3866 3 153 PHE QB 3 158 ILE MG 4.500 . 5.250 1.933 1.785 2.161 0.015 4 0 "[ . 1]" 1
3867 3 153 PHE QD 3 154 LYS HA 4.500 . 5.250 4.626 4.423 4.814 . 0 0 "[ . 1]" 1
3868 3 153 PHE QD 3 154 LYS QB 4.500 . 5.250 3.214 2.686 4.213 . 0 0 "[ . 1]" 1
3869 3 153 PHE QD 3 154 LYS QD 4.500 . 5.250 4.573 3.930 5.312 0.062 5 0 "[ . 1]" 1
3870 3 153 PHE QD 3 154 LYS QE 4.500 . 5.250 4.680 3.909 5.255 0.005 9 0 "[ . 1]" 1
3871 3 153 PHE QD 3 154 LYS QG 4.500 . 5.250 3.658 2.627 4.588 . 0 0 "[ . 1]" 1
3872 3 153 PHE QD 3 158 ILE HB 4.500 . 5.250 5.130 4.579 5.362 0.112 1 0 "[ . 1]" 1
3873 3 153 PHE QD 3 158 ILE MD 3.500 . 4.200 3.135 2.213 3.431 . 0 0 "[ . 1]" 1
3874 3 153 PHE QD 3 158 ILE MG 4.500 . 5.250 2.773 2.202 3.070 . 0 0 "[ . 1]" 1
3875 3 153 PHE QD 3 158 ILE H 5.500 . 6.500 5.854 5.272 6.354 . 0 0 "[ . 1]" 1
3876 3 153 PHE QE 3 154 LYS QD 3.500 . 4.200 3.582 2.735 4.365 0.165 10 0 "[ . 1]" 1
3877 3 153 PHE QE 3 154 LYS QE 3.500 . 4.200 3.341 2.311 4.154 . 0 0 "[ . 1]" 1
3878 3 153 PHE QE 3 154 LYS QG 3.500 . 4.200 3.310 2.432 4.246 0.046 4 0 "[ . 1]" 1
3879 3 153 PHE QE 3 158 ILE MG 5.500 . 6.500 4.349 4.033 4.655 . 0 0 "[ . 1]" 1
3880 3 153 PHE H 3 154 LYS H 5.500 . 6.500 4.455 4.325 4.509 . 0 0 "[ . 1]" 1
3881 3 153 PHE H 3 155 ASP H 5.500 . 6.500 4.836 3.601 6.611 0.111 2 0 "[ . 1]" 1
3882 3 153 PHE H 3 156 ARG H 4.500 . 5.250 4.351 2.983 5.304 0.054 5 0 "[ . 1]" 1
3883 3 153 PHE H 3 157 LYS HA 4.500 . 5.250 3.092 2.285 4.247 . 0 0 "[ . 1]" 1
3884 3 153 PHE H 3 158 ILE MD 5.500 . 6.500 4.481 3.854 5.366 . 0 0 "[ . 1]" 1
3885 3 153 PHE H 3 158 ILE MG 4.500 . 5.250 3.389 2.711 4.444 . 0 0 "[ . 1]" 1
3886 3 153 PHE HZ 3 154 LYS HA 5.500 . 6.500 6.263 5.860 6.539 0.039 2 0 "[ . 1]" 1
3887 3 153 PHE HZ 3 154 LYS QD 4.500 . 5.250 4.396 3.889 5.110 . 0 0 "[ . 1]" 1
3888 3 153 PHE HZ 3 154 LYS QE 3.500 . 4.200 3.351 2.776 4.034 . 0 0 "[ . 1]" 1
3889 3 153 PHE HZ 3 154 LYS QG 4.500 . 5.250 3.931 2.718 5.304 0.054 5 0 "[ . 1]" 1
3890 3 154 LYS HA 3 154 LYS QD 3.500 . 4.200 3.750 2.160 4.154 . 0 0 "[ . 1]" 1
3891 3 154 LYS HA 3 154 LYS QE 3.500 . 4.200 4.298 4.026 4.532 0.332 10 0 "[ . 1]" 1
3892 3 154 LYS HA 3 154 LYS QG 2.800 . 3.100 2.458 2.189 3.284 0.184 6 0 "[ . 1]" 1
3893 3 154 LYS HA 3 155 ASP HA 4.500 . 5.250 4.620 4.400 4.856 . 0 0 "[ . 1]" 1
3894 3 154 LYS HA 3 155 ASP QB 4.500 . 5.250 5.062 4.250 5.397 0.147 8 0 "[ . 1]" 1
3895 3 154 LYS HA 3 155 ASP H 5.500 . 6.500 3.330 2.225 3.584 . 0 0 "[ . 1]" 1
3896 3 154 LYS QB 3 154 LYS QE 3.500 . 4.200 2.791 1.990 3.539 . 0 0 "[ . 1]" 1
3897 3 154 LYS QE 3 154 LYS QG 2.800 . 3.100 2.191 2.074 2.434 . 0 0 "[ . 1]" 1
3898 3 154 LYS H 3 154 LYS HA 2.800 . 3.100 2.721 2.616 2.802 . 0 0 "[ . 1]" 1
3899 3 154 LYS H 3 154 LYS QD 4.500 . 5.250 4.205 3.272 4.916 . 0 0 "[ . 1]" 1
3900 3 154 LYS H 3 155 ASP H 4.500 . 5.250 3.418 2.834 4.597 . 0 0 "[ . 1]" 1
3901 3 155 ASP HA 3 156 ARG H 3.300 . 3.800 3.183 2.470 3.567 . 0 0 "[ . 1]" 1
3902 3 155 ASP QB 3 156 ARG H 5.500 . 6.500 2.695 1.880 4.073 . 0 0 "[ . 1]" 1
3903 3 155 ASP H 3 155 ASP HA 2.800 . 3.100 2.883 2.600 2.993 . 0 0 "[ . 1]" 1
3904 3 155 ASP H 3 156 ARG H 3.500 . 4.200 3.405 1.826 4.279 0.079 5 0 "[ . 1]" 1
3905 3 156 ARG HA 3 157 LYS H 4.500 . 5.250 2.914 2.176 3.593 . 0 0 "[ . 1]" 1
3906 3 156 ARG QB 3 157 LYS H 3.500 . 4.200 2.771 1.883 3.957 . 0 0 "[ . 1]" 1
3907 3 157 LYS HA 3 157 LYS QE 4.500 . 5.250 4.191 3.748 4.554 . 0 0 "[ . 1]" 1
3908 3 157 LYS HA 3 157 LYS QG 3.500 . 4.200 2.669 2.151 3.306 . 0 0 "[ . 1]" 1
3909 3 157 LYS HA 3 158 ILE H 2.800 . 3.100 2.392 2.209 2.695 . 0 0 "[ . 1]" 1
3910 3 157 LYS QB 3 157 LYS QE 3.500 . 4.200 2.809 2.057 3.617 . 0 0 "[ . 1]" 1
3911 3 157 LYS QB 3 158 ILE H 5.500 . 6.500 3.119 2.430 4.025 . 0 0 "[ . 1]" 1
3912 3 157 LYS QE 3 157 LYS QG 2.800 . 3.100 2.217 2.099 2.367 . 0 0 "[ . 1]" 1
3913 3 157 LYS H 3 157 LYS QB 3.500 . 4.200 2.525 2.048 3.316 . 0 0 "[ . 1]" 1
3914 3 157 LYS H 3 158 ILE H 5.500 . 6.500 4.271 2.356 4.711 . 0 0 "[ . 1]" 1
3915 3 158 ILE HA 3 158 ILE MG 3.500 . 4.200 2.363 2.240 2.468 . 0 0 "[ . 1]" 1
3916 3 158 ILE HA 3 159 GLU H 3.300 . 3.800 2.301 2.177 2.398 . 0 0 "[ . 1]" 1
3917 3 158 ILE HB 3 158 ILE MD 3.500 . 4.200 2.317 2.218 2.488 . 0 0 "[ . 1]" 1
3918 3 158 ILE HB 3 159 GLU H 3.500 . 4.200 2.965 2.690 3.565 . 0 0 "[ . 1]" 1
3919 3 158 ILE MG 3 159 GLU H 4.500 . 5.250 3.929 3.630 4.260 . 0 0 "[ . 1]" 1
3920 3 158 ILE H 3 158 ILE MD 4.500 . 5.250 3.859 3.599 4.057 . 0 0 "[ . 1]" 1
3921 3 158 ILE H 3 158 ILE QG 3.500 . 4.200 2.231 2.034 2.400 . 0 0 "[ . 1]" 1
3922 3 158 ILE H 3 158 ILE MG 4.500 . 5.250 2.639 1.899 2.930 . 0 0 "[ . 1]" 1
3923 3 159 GLU HA 3 160 ILE HB 4.500 . 5.250 4.681 4.500 4.777 . 0 0 "[ . 1]" 1
3924 3 159 GLU HA 3 160 ILE MD 5.500 . 6.500 4.884 4.498 5.216 . 0 0 "[ . 1]" 1
3925 3 159 GLU HA 3 160 ILE H 3.300 . 3.800 2.279 2.194 2.376 . 0 0 "[ . 1]" 1
3926 3 160 ILE HA 3 160 ILE MD 3.500 . 4.200 3.050 2.194 3.862 . 0 0 "[ . 1]" 1
3927 3 160 ILE HA 3 161 LYS H 3.300 . 3.800 2.345 2.256 2.435 . 0 0 "[ . 1]" 1
3928 3 160 ILE HB 3 160 ILE MD 3.500 . 4.200 2.728 2.202 3.187 . 0 0 "[ . 1]" 1
3929 3 160 ILE MD 3 161 LYS H 5.500 . 6.500 4.189 3.562 4.764 . 0 0 "[ . 1]" 1
3930 3 160 ILE MG 3 161 LYS H 3.500 . 4.200 2.113 1.881 2.318 . 0 0 "[ . 1]" 1
3931 3 160 ILE H 3 160 ILE HB 3.300 . 3.800 2.583 2.431 2.712 . 0 0 "[ . 1]" 1
3932 3 160 ILE H 3 160 ILE MD 5.500 . 6.500 3.781 3.424 4.063 . 0 0 "[ . 1]" 1
3933 3 160 ILE H 3 160 ILE MG 4.500 . 5.250 3.823 3.755 3.904 . 0 0 "[ . 1]" 1
3934 3 160 ILE H 3 161 LYS H 5.500 . 6.500 4.581 4.485 4.684 . 0 0 "[ . 1]" 1
3935 3 161 LYS HA 3 162 ARG H 2.800 . 3.100 2.370 2.273 2.467 . 0 0 "[ . 1]" 1
3936 3 161 LYS H 3 162 ARG H 5.500 . 6.500 4.292 3.548 4.409 . 0 0 "[ . 1]" 1
3937 3 162 ARG HA 3 163 ALA H 3.300 . 3.800 2.293 2.195 2.354 . 0 0 "[ . 1]" 1
3938 3 162 ARG QB 3 162 ARG HE 4.500 . 5.250 3.310 1.962 4.239 . 0 0 "[ . 1]" 1
3939 3 162 ARG H 3 162 ARG QB 3.500 . 4.200 2.531 2.265 2.960 . 0 0 "[ . 1]" 1
3940 3 162 ARG H 3 162 ARG QD 5.500 . 6.500 3.748 1.766 4.265 0.034 1 0 "[ . 1]" 1
3941 3 163 ALA HA 3 164 GLU QG 5.500 . 6.500 4.926 4.017 6.182 . 0 0 "[ . 1]" 1
3942 3 163 ALA HA 3 164 GLU H 3.300 . 3.800 3.054 2.278 3.477 . 0 0 "[ . 1]" 1
3943 3 163 ALA MB 3 164 GLU H 3.500 . 4.200 3.327 2.677 3.716 . 0 0 "[ . 1]" 1
3944 3 163 ALA H 3 164 GLU H 5.500 . 6.500 3.052 2.433 4.214 . 0 0 "[ . 1]" 1
3945 3 164 GLU HA 3 164 GLU QG 3.500 . 4.200 2.681 2.128 3.328 . 0 0 "[ . 1]" 1
3946 3 164 GLU HA 3 165 PRO QD 3.500 . 4.200 2.411 2.080 3.526 . 0 0 "[ . 1]" 1
3947 3 164 GLU H 3 164 GLU QG 4.500 . 5.250 3.012 1.921 4.077 . 0 0 "[ . 1]" 1
3948 3 165 PRO HA 3 165 PRO QG 3.500 . 4.200 3.245 2.898 3.512 . 0 0 "[ . 1]" 1
3949 3 165 PRO HA 3 166 ARG H 3.300 . 3.800 2.782 2.231 3.588 . 0 0 "[ . 1]" 1
3950 3 165 PRO QB 3 166 ARG H 3.500 . 4.200 2.881 1.847 3.696 . 0 0 "[ . 1]" 1
3951 3 165 PRO QB 3 167 HIS H 5.500 . 6.500 4.124 3.060 5.268 . 0 0 "[ . 1]" 1
3952 3 166 ARG HA 3 166 ARG QD 3.500 . 4.200 3.787 2.255 3.995 . 0 0 "[ . 1]" 1
3953 3 166 ARG HA 3 166 ARG QG 2.800 . 3.100 2.400 2.149 2.963 . 0 0 "[ . 1]" 1
3954 3 166 ARG QG 3 167 HIS H 4.500 . 5.250 4.058 2.964 4.853 . 0 0 "[ . 1]" 1
3955 3 166 ARG H 3 166 ARG QG 3.500 . 4.200 3.351 2.172 4.169 . 0 0 "[ . 1]" 1
3956 3 166 ARG H 3 167 HIS H 3.300 . 3.800 2.848 1.800 3.866 0.066 2 0 "[ . 1]" 1
3957 3 167 HIS H 3 167 HIS QB 3.500 . 4.200 2.827 2.454 3.236 . 0 0 "[ . 1]" 1
3958 1 1 U H1' 1 1 U H6 4.500 . 5.250 3.669 3.634 3.700 . 0 0 "[ . 1]" 1
3959 1 1 U H1' 1 1 U H2' 4.500 . 5.250 3.004 3.001 3.006 . 0 0 "[ . 1]" 1
3960 1 1 U H2' 1 1 U H5 4.500 . 5.250 3.973 3.917 4.023 . 0 0 "[ . 1]" 1
3961 1 1 U H2' 1 1 U H6 3.500 . 4.200 1.663 1.542 1.788 0.258 7 0 "[ . 1]" 1
3962 1 1 U H5 1 1 U H6 3.300 . 3.800 2.426 2.426 2.427 . 0 0 "[ . 1]" 1
3963 1 2 A H1' 1 2 A H8 4.500 . 5.250 3.856 3.824 3.901 . 0 0 "[ . 1]" 1
3964 1 2 A H1' 1 3 U H5 3.500 . 4.200 3.726 3.054 4.230 0.030 1 0 "[ . 1]" 1
3965 1 2 A H1' 1 3 U H6 3.500 . 4.200 3.000 2.064 3.564 . 0 0 "[ . 1]" 1
3966 1 2 A H1' 1 2 A H2' 5.500 . 6.500 3.007 3.001 3.020 . 0 0 "[ . 1]" 1
3967 1 2 A H2 1 3 U H5 4.500 . 5.250 3.858 3.328 4.526 . 0 0 "[ . 1]" 1
3968 1 2 A H2 1 3 U H6 4.500 . 5.250 4.431 3.551 5.321 0.071 6 0 "[ . 1]" 1
3969 1 3 U H1' 1 3 U H6 3.300 . 3.800 3.635 3.595 3.649 . 0 0 "[ . 1]" 1
3970 1 3 U H1' 1 3 U H2' 3.300 . 3.800 3.015 3.004 3.031 . 0 0 "[ . 1]" 1
3971 1 3 U H2' 1 3 U H6 4.500 . 5.250 3.064 2.986 3.213 . 0 0 "[ . 1]" 1
3972 1 3 U H5 1 3 U H6 3.300 . 3.800 2.425 2.422 2.427 . 0 0 "[ . 1]" 1
3973 1 4 A H1' 1 4 A H8 4.500 . 5.250 2.973 2.635 3.941 . 0 0 "[ . 1]" 1
3974 1 4 A H1' 1 4 A H2' 3.300 . 3.800 3.009 3.002 3.030 . 0 0 "[ . 1]" 1
3975 1 4 A H2' 1 4 A H8 3.500 . 4.200 3.495 2.382 4.560 0.360 10 0 "[ . 1]" 1
3976 1 5 U H1' 1 5 U H6 4.500 . 5.250 3.450 2.289 3.712 . 0 0 "[ . 1]" 1
3977 1 5 U H1' 1 6 A H8 5.500 . 6.500 5.196 3.866 6.513 0.013 2 0 "[ . 1]" 1
3978 1 5 U H1' 1 5 U H2' 3.300 . 3.800 2.830 2.758 2.906 . 0 0 "[ . 1]" 1
3979 1 5 U H2' 1 5 U H6 5.500 . 6.250 2.191 1.316 4.006 0.484 1 0 "[ . 1]" 1
3980 1 5 U H5 1 5 U H6 3.300 . 3.800 2.420 2.413 2.430 . 0 0 "[ . 1]" 1
3981 1 6 A H1' 1 6 A H2 4.500 . 5.250 4.457 4.411 4.512 . 0 0 "[ . 1]" 1
3982 1 6 A H1' 1 6 A H8 4.500 . 5.250 3.895 3.859 3.928 . 0 0 "[ . 1]" 1
3983 1 6 A H1' 1 7 U H6 5.500 . 6.500 4.842 4.546 5.149 . 0 0 "[ . 1]" 1
3984 1 6 A H1' 1 6 A H2' 4.500 . 5.250 3.020 3.012 3.028 . 0 0 "[ . 1]" 1
3985 1 7 U H1' 1 7 U H6 3.300 . 3.800 3.604 3.545 3.624 . 0 0 "[ . 1]" 1
3986 1 7 U H1' 1 7 U H2' 4.500 . 5.250 3.011 3.001 3.018 . 0 0 "[ . 1]" 1
3987 1 7 U H2' 1 7 U H5 5.500 . 6.500 4.862 3.839 5.081 . 0 0 "[ . 1]" 1
3988 1 7 U H2' 1 7 U H6 4.500 . 5.250 3.063 1.415 3.306 0.385 6 0 "[ . 1]" 1
3989 1 7 U H5 1 7 U H6 3.300 . 3.800 2.426 2.420 2.430 . 0 0 "[ . 1]" 1
3990 1 5 U H5 3 7 PHE QB 5.800 . 6.800 6.477 5.400 6.880 0.080 5 0 "[ . 1]" 1
3991 1 5 U H6 3 7 PHE QB 5.800 . 6.800 6.737 4.935 7.005 0.205 7 0 "[ . 1]" 1
3992 1 6 A H2 3 7 PHE QB 4.500 . 5.250 2.921 2.273 4.110 . 0 0 "[ . 1]" 1
3993 1 5 U H1' 3 7 PHE QD 5.500 . 6.250 5.348 4.218 6.314 0.064 5 0 "[ . 1]" 1
3994 1 5 U H5 3 7 PHE QD 5.500 . 6.500 4.788 3.894 5.363 . 0 0 "[ . 1]" 1
3995 1 6 A H2 3 7 PHE QD 4.500 . 5.250 3.246 2.769 3.627 . 0 0 "[ . 1]" 1
3996 1 6 A H8 3 7 PHE QD 4.500 . 5.250 5.079 4.481 5.306 0.056 4 0 "[ . 1]" 1
3997 1 5 U H1' 3 7 PHE QE 3.500 . 4.200 3.572 1.910 4.238 0.038 4 0 "[ . 1]" 1
3998 1 5 U H5 3 7 PHE QE 4.500 . 5.250 3.777 2.650 4.545 . 0 0 "[ . 1]" 1
3999 1 6 A H8 3 7 PHE QE 5.500 . 6.500 3.524 3.089 4.112 . 0 0 "[ . 1]" 1
4000 1 5 U H1' 3 7 PHE HZ 3.300 . 3.800 3.060 2.247 3.846 0.046 6 0 "[ . 1]" 1
4001 1 5 U H5 3 7 PHE HZ 5.500 . 6.500 5.461 3.317 6.578 0.078 9 0 "[ . 1]" 1
4002 1 6 A H8 3 7 PHE HZ 4.500 . 5.250 3.520 2.763 4.696 . 0 0 "[ . 1]" 1
4003 1 5 U H1' 3 9 GLY QA 4.500 . 5.250 4.322 2.836 5.591 0.341 4 0 "[ . 1]" 1
4004 1 5 U H5 3 9 GLY QA 4.500 . 5.250 3.239 2.037 4.587 . 0 0 "[ . 1]" 1
4005 1 5 U H6 3 9 GLY QA 4.500 . 5.250 3.910 2.494 4.846 . 0 0 "[ . 1]" 1
4006 1 5 U H6 3 10 GLY QA 5.500 . 6.500 5.894 4.689 6.627 0.127 8 0 "[ . 1]" 1
4007 1 5 U H1' 3 10 GLY H 5.500 . 6.500 5.458 4.648 6.544 0.044 5 0 "[ . 1]" 1
4008 1 4 A H1' 3 12 ASN HA 5.500 . 6.500 6.215 5.182 6.636 0.136 6 0 "[ . 1]" 1
4009 1 4 A H8 3 12 ASN HA 3.300 . 3.800 3.332 2.559 3.700 . 0 0 "[ . 1]" 1
4010 1 4 A H8 3 12 ASN QB 5.500 . 6.500 5.014 4.378 5.521 . 0 0 "[ . 1]" 1
4011 1 4 A H8 3 13 TRP HA 3.300 . 3.800 3.861 3.701 3.937 0.137 2 0 "[ . 1]" 1
4012 1 4 A H1' 3 13 TRP HD1 5.500 . 6.500 5.119 4.562 6.385 . 0 0 "[ . 1]" 1
4013 1 4 A H8 3 13 TRP HD1 4.500 . 5.250 4.542 3.509 5.452 0.202 6 0 "[ . 1]" 1
4014 1 4 A H1' 3 13 TRP HE1 5.500 . 6.500 3.762 2.671 5.878 . 0 0 "[ . 1]" 1
4015 1 4 A H2' 3 13 TRP HE1 5.500 . 6.500 6.139 5.428 7.588 1.088 6 1 "[ .+ 1]" 1
4016 1 4 A H1' 3 13 TRP HE3 5.500 . 6.500 6.312 4.815 6.572 0.072 2 0 "[ . 1]" 1
4017 1 4 A H2 3 13 TRP HE3 5.500 . 6.500 6.043 5.430 6.579 0.079 10 0 "[ . 1]" 1
4018 1 4 A H8 3 13 TRP HE3 4.500 2.800 5.250 5.065 4.576 5.361 0.111 4 0 "[ . 1]" 1
4019 1 4 A H1' 3 13 TRP HH2 5.500 . 6.500 5.473 5.090 5.944 . 0 0 "[ . 1]" 1
4020 1 4 A H2 3 13 TRP HH2 3.500 . 4.200 2.926 2.533 4.352 0.152 6 0 "[ . 1]" 1
4021 1 4 A H8 3 13 TRP H 4.500 . 5.250 3.907 2.927 4.913 . 0 0 "[ . 1]" 1
4022 1 4 A H1' 3 13 TRP HZ2 4.500 . 5.250 4.035 3.238 5.301 0.051 6 0 "[ . 1]" 1
4023 1 4 A H2 3 13 TRP HZ2 3.500 . 4.200 4.129 2.494 4.366 0.166 3 0 "[ . 1]" 1
4024 1 4 A H1' 3 13 TRP HZ3 5.500 . 6.500 6.426 4.844 6.688 0.188 3 0 "[ . 1]" 1
4025 1 4 A H2 3 13 TRP HZ3 5.500 . 6.500 4.239 3.478 5.767 . 0 0 "[ . 1]" 1
4026 1 7 U H5 3 34 LYS QB 4.500 . 5.250 5.330 5.288 5.426 0.176 6 0 "[ . 1]" 1
4027 1 7 U H1' 3 36 MET ME 3.300 . 3.800 2.992 1.794 3.796 0.006 1 0 "[ . 1]" 1
4028 1 7 U H5 3 36 MET ME 5.500 . 6.500 4.519 3.789 5.154 . 0 0 "[ . 1]" 1
4029 1 7 U H6 3 36 MET ME 4.500 . 5.250 4.185 3.453 4.830 . 0 0 "[ . 1]" 1
4030 1 7 U H1' 3 45 ARG QG 5.500 . 6.500 6.270 4.908 6.573 0.073 8 0 "[ . 1]" 1
4031 1 5 U H1' 3 47 PHE HA 5.500 . 6.500 4.127 2.436 5.654 . 0 0 "[ . 1]" 1
4032 1 5 U H1' 3 47 PHE QB 5.500 . 6.500 2.366 1.733 3.574 0.067 10 0 "[ . 1]" 1
4033 1 7 U H1' 3 47 PHE QE 5.500 . 6.500 3.276 2.598 4.035 . 0 0 "[ . 1]" 1
4034 1 7 U H2' 3 47 PHE QE 4.500 . 5.250 5.103 4.276 5.612 0.362 1 0 "[ . 1]" 1
4035 1 7 U H6 3 47 PHE QE 5.500 . 6.500 4.124 3.748 4.589 . 0 0 "[ . 1]" 1
4036 1 6 A H2 3 49 PHE QD 3.300 . 3.800 3.856 3.791 3.970 0.170 8 0 "[ . 1]" 1
4037 1 7 U H1' 3 49 PHE QD 5.500 . 6.500 6.087 5.545 6.579 0.079 6 0 "[ . 1]" 1
4038 1 7 U H5 3 49 PHE QD 5.500 . 6.500 4.713 3.386 5.685 . 0 0 "[ . 1]" 1
4039 1 7 U H6 3 49 PHE QD 4.500 . 5.500 4.860 4.276 5.440 . 0 0 "[ . 1]" 1
4040 1 6 A H1' 3 49 PHE QE 3.500 . 4.200 3.930 3.436 4.279 0.079 3 0 "[ . 1]" 1
4041 1 6 A H2 3 49 PHE QE 3.300 . 3.800 2.118 1.948 2.358 . 0 0 "[ . 1]" 1
4042 1 7 U H6 3 49 PHE QE 3.500 . 4.200 2.933 2.198 3.546 . 0 0 "[ . 1]" 1
4043 1 6 A H1' 3 49 PHE HZ 3.300 . 3.800 2.764 2.099 3.313 . 0 0 "[ . 1]" 1
4044 1 6 A H2 3 49 PHE HZ 3.300 . 3.800 3.896 3.802 3.989 0.189 7 0 "[ . 1]" 1
4045 1 7 U H6 3 49 PHE HZ 3.300 . 3.800 3.803 3.394 3.945 0.145 7 0 "[ . 1]" 1
4046 1 4 A H8 3 71 LYS QB 5.500 . 6.500 6.299 5.804 6.550 0.050 5 0 "[ . 1]" 1
4047 1 4 A H8 3 71 LYS QD 5.500 . 6.500 6.414 5.803 6.592 0.092 3 0 "[ . 1]" 1
4048 1 4 A H8 3 71 LYS QG 5.500 . 6.500 6.064 5.252 6.558 0.058 6 0 "[ . 1]" 1
4049 1 6 A H2 3 78 ALA HA 5.500 . 6.500 3.163 2.730 3.626 . 0 0 "[ . 1]" 1
4050 1 6 A H2 3 78 ALA MB 5.500 . 6.500 3.107 2.834 3.368 . 0 0 "[ . 1]" 1
4051 1 6 A H2 3 79 ILE HB 5.500 . 6.500 5.570 5.196 5.724 . 0 0 "[ . 1]" 1
4052 1 6 A H2 3 79 ILE MD 5.500 . 6.500 6.224 5.385 6.620 0.120 7 0 "[ . 1]" 1
4053 1 6 A H2 3 79 ILE QG 5.500 . 6.500 5.775 5.296 6.501 0.001 4 0 "[ . 1]" 1
4054 1 6 A H2 3 79 ILE MG 5.500 . 6.500 6.307 5.480 6.571 0.071 1 0 "[ . 1]" 1
4055 1 6 A H2 3 79 ILE H 5.500 . 6.500 3.415 2.623 4.003 . 0 0 "[ . 1]" 1
4056 1 6 A H2 3 84 GLN QE 5.500 . 6.500 5.799 4.705 6.542 0.042 4 0 "[ . 1]" 1
4057 1 2 A H2 3 91 PHE HA 4.500 . 5.250 4.742 4.140 5.271 0.021 7 0 "[ . 1]" 1
4058 1 2 A H2 3 91 PHE QB 4.500 . 5.250 2.664 1.944 3.301 . 0 0 "[ . 1]" 1
4059 1 2 A H2 3 91 PHE QD 3.500 . 4.200 2.995 2.451 3.672 . 0 0 "[ . 1]" 1
4060 1 3 U H5 3 91 PHE QD 4.500 . 5.250 5.232 5.054 5.320 0.070 4 0 "[ . 1]" 1
4061 1 1 U H1' 3 91 PHE QE 4.500 . 5.250 5.200 4.841 5.316 0.066 8 0 "[ . 1]" 1
4062 1 1 U H2' 3 91 PHE QE 4.500 . 5.250 5.325 2.993 7.017 1.767 9 3 "[ * - +1]" 1
4063 1 2 A H8 3 91 PHE QE 3.500 . 4.200 4.089 3.588 4.352 0.152 10 0 "[ . 1]" 1
4064 1 3 U H1' 3 120 MET ME 4.500 . 5.250 4.092 3.438 5.265 0.015 1 0 "[ . 1]" 1
4065 1 3 U H6 3 120 MET ME 5.500 . 6.500 5.605 4.688 6.530 0.030 9 0 "[ . 1]" 1
4066 1 3 U H1' 3 120 MET QG 4.500 . 5.250 5.112 4.449 5.491 0.241 2 0 "[ . 1]" 1
4067 1 2 A H2' 3 131 PHE QD 5.500 . 6.500 5.824 5.007 6.490 . 0 0 "[ . 1]" 1
4068 1 2 A H2' 3 131 PHE QE 4.500 . 5.250 5.851 4.789 6.665 1.415 8 6 "[ **.-*+*1]" 1
4069 1 2 A H2 3 133 PHE QD 4.500 . 5.250 4.379 3.381 5.284 0.034 4 0 "[ . 1]" 1
4070 1 3 U H6 3 133 PHE QD 5.500 . 6.500 5.821 5.145 6.451 . 0 0 "[ . 1]" 1
4071 1 2 A H2 3 133 PHE QE 3.500 . 4.200 2.406 1.769 3.429 0.031 8 0 "[ . 1]" 1
4072 1 3 U H1' 3 133 PHE QE 4.500 . 5.250 3.790 2.224 4.788 . 0 0 "[ . 1]" 1
4073 1 3 U H5 3 133 PHE QE 4.500 . 5.200 4.749 4.275 5.253 0.053 9 0 "[ . 1]" 1
4074 1 3 U H6 3 133 PHE QE 4.500 . 5.250 3.730 3.133 4.342 . 0 0 "[ . 1]" 1
4075 1 2 A H2 3 133 PHE HZ 3.300 . 3.800 2.523 1.753 3.801 0.047 5 0 "[ . 1]" 1
4076 1 3 U H1' 3 133 PHE HZ 4.500 . 5.250 3.976 2.333 5.285 0.035 6 0 "[ . 1]" 1
4077 1 2 A H2 3 163 ALA HA 3.300 . 3.800 3.655 3.319 3.850 0.050 2 0 "[ . 1]" 1
4078 1 2 A H2 3 163 ALA MB 3.500 . 4.200 3.981 3.714 4.263 0.063 5 0 "[ . 1]" 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 139
_Distance_constraint_stats_list.Viol_count 70
_Distance_constraint_stats_list.Viol_total 739.924
_Distance_constraint_stats_list.Viol_max 2.551
_Distance_constraint_stats_list.Viol_rms 0.2839
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0532
_Distance_constraint_stats_list.Viol_average_violations_only 1.0570
_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 3 U 11.378 1.813 10 8 "[-* *.****+]"
1 5 U 62.615 2.551 7 10 [*****-+***]
2 1 ASN 0.000 0.000 . 0 "[ . 1]"
2 4 SER 0.000 0.000 . 0 "[ . 1]"
2 5 ARG 0.000 0.000 . 0 "[ . 1]"
2 6 VAL 0.000 0.000 . 0 "[ . 1]"
2 7 VAL 0.000 0.000 . 0 "[ . 1]"
2 8 TYR 0.000 0.000 . 0 "[ . 1]"
2 9 LEU 0.000 0.000 . 0 "[ . 1]"
2 10 GLY 0.000 0.000 . 0 "[ . 1]"
2 11 SER 0.000 0.000 . 0 "[ . 1]"
2 12 ILE 0.000 0.000 . 0 "[ . 1]"
2 14 TYR 0.000 0.000 . 0 "[ . 1]"
2 15 ASP 0.106 0.106 7 0 "[ . 1]"
2 16 GLN 0.000 0.000 . 0 "[ . 1]"
2 17 THR 0.905 0.893 7 1 "[ . + 1]"
2 18 GLU 0.000 0.000 . 0 "[ . 1]"
2 19 GLU 0.000 0.000 . 0 "[ . 1]"
2 20 GLN 0.000 0.000 . 0 "[ . 1]"
2 21 ILE 0.000 0.000 . 0 "[ . 1]"
2 22 LEU 0.000 0.000 . 0 "[ . 1]"
2 23 ASP 0.000 0.000 . 0 "[ . 1]"
2 24 LEU 0.000 0.000 . 0 "[ . 1]"
2 25 CYS 0.000 0.000 . 0 "[ . 1]"
2 26 SER 0.000 0.000 . 0 "[ . 1]"
2 27 ASN 0.000 0.000 . 0 "[ . 1]"
2 28 VAL 0.000 0.000 . 0 "[ . 1]"
2 29 GLY 0.000 0.000 . 0 "[ . 1]"
2 31 VAL 0.000 0.000 . 0 "[ . 1]"
2 32 ILE 0.000 0.000 . 0 "[ . 1]"
2 33 ASN 3.573 1.032 7 3 "[ -. + *1]"
2 34 LEU 0.000 0.000 . 0 "[ . 1]"
2 35 LYS 0.000 0.000 . 0 "[ . 1]"
2 36 MET 0.000 0.000 . 0 "[ . 1]"
2 37 MET 0.000 0.000 . 0 "[ . 1]"
2 38 PHE 0.000 0.000 . 0 "[ . 1]"
2 39 ASP 0.000 0.000 . 0 "[ . 1]"
2 41 GLN 0.000 0.000 . 0 "[ . 1]"
2 42 THR 0.000 0.000 . 0 "[ . 1]"
2 43 GLY 0.000 0.000 . 0 "[ . 1]"
2 44 ARG 0.000 0.000 . 0 "[ . 1]"
2 45 SER 0.029 0.029 10 0 "[ . 1]"
2 46 LYS 5.011 1.845 9 4 "[ -. * +*]"
2 47 GLY 6.938 2.223 10 5 "[* .*- *+]"
2 48 TYR 4.730 1.692 7 4 "[- . + **]"
2 49 ALA 0.000 0.000 . 0 "[ . 1]"
2 50 PHE 2.273 0.901 7 3 "[ . + *-]"
2 51 ILE 0.084 0.084 9 0 "[ . 1]"
2 52 GLU 0.000 0.000 . 0 "[ . 1]"
2 53 PHE 0.000 0.000 . 0 "[ . 1]"
2 54 ARG 0.000 0.000 . 0 "[ . 1]"
2 55 ASP 0.000 0.000 . 0 "[ . 1]"
2 56 LEU 0.000 0.000 . 0 "[ . 1]"
2 57 GLU 0.000 0.000 . 0 "[ . 1]"
2 58 SER 0.000 0.000 . 0 "[ . 1]"
2 59 SER 0.000 0.000 . 0 "[ . 1]"
2 60 ALA 0.000 0.000 . 0 "[ . 1]"
2 61 SER 0.000 0.000 . 0 "[ . 1]"
2 62 ALA 0.000 0.000 . 0 "[ . 1]"
2 63 VAL 0.000 0.000 . 0 "[ . 1]"
2 64 ARG 0.000 0.000 . 0 "[ . 1]"
2 65 ASN 11.378 1.813 10 8 "[-* *.****+]"
2 66 LEU 0.000 0.000 . 0 "[ . 1]"
2 67 ASN 0.000 0.000 . 0 "[ . 1]"
2 68 GLY 10.638 1.819 9 7 "[* * *-**+1]"
2 69 TYR 0.000 0.000 . 0 "[ . 1]"
2 70 GLN 22.473 2.551 7 10 [******+**-]
2 71 LEU 0.000 0.000 . 0 "[ . 1]"
2 72 GLY 0.000 0.000 . 0 "[ . 1]"
2 73 SER 0.000 0.000 . 0 "[ . 1]"
2 74 ARG 0.000 0.000 . 0 "[ . 1]"
2 75 PHE 0.000 0.000 . 0 "[ . 1]"
2 76 LEU 5.331 1.349 9 4 "[* . *-+1]"
2 77 LYS 0.000 0.000 . 0 "[ . 1]"
2 78 CYS 0.000 0.000 . 0 "[ . 1]"
2 79 GLY 0.000 0.000 . 0 "[ . 1]"
2 80 TYR 0.000 0.000 . 0 "[ . 1]"
2 81 SER 0.000 0.000 . 0 "[ . 1]"
2 82 SER 0.000 0.000 . 0 "[ . 1]"
2 83 ASN 0.523 0.523 8 1 "[ . + 1]"
2 84 SER 0.000 0.000 . 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 U H2' 2 1 ASN N 31.800 . 31.800 24.305 21.822 26.955 . 0 0 "[ . 1]" 2
2 1 3 U H2' 2 1 ASN QD 31.800 . 31.800 19.209 16.696 22.653 . 0 0 "[ . 1]" 2
3 1 3 U H2' 2 41 GLN QE 31.800 . 31.800 10.196 6.420 16.573 . 0 0 "[ . 1]" 2
4 1 3 U H2' 2 65 ASN QD 31.800 . 31.800 32.938 31.941 33.613 1.813 10 8 "[-* *.****+]" 2
5 1 3 U H2' 2 67 ASN QD 31.800 . 31.800 26.391 23.085 28.710 . 0 0 "[ . 1]" 2
6 1 3 U H2' 2 77 LYS H 31.800 . 31.800 23.554 22.365 24.489 . 0 0 "[ . 1]" 2
7 1 3 U H2' 2 79 GLY H 31.800 . 31.800 23.420 21.830 24.621 . 0 0 "[ . 1]" 2
8 1 3 U H2' 2 81 SER H 31.800 . 31.800 21.232 17.932 24.278 . 0 0 "[ . 1]" 2
9 1 3 U H2' 2 82 SER H 31.800 . 31.800 20.643 16.562 24.764 . 0 0 "[ . 1]" 2
10 1 3 U H2' 2 83 ASN H 31.800 . 31.800 21.884 16.442 26.436 . 0 0 "[ . 1]" 2
11 1 3 U H2' 2 83 ASN QD 31.800 . 31.800 19.148 11.571 27.233 . 0 0 "[ . 1]" 2
12 1 3 U H2' 2 84 SER H 31.800 . 31.800 22.750 18.059 28.271 . 0 0 "[ . 1]" 2
13 1 3 U H2' 2 5 ARG H 12.000 12.000 111.000 25.898 24.257 27.742 . 0 0 "[ . 1]" 2
14 1 3 U H2' 2 6 VAL H 12.000 12.000 111.000 24.361 22.430 26.208 . 0 0 "[ . 1]" 2
15 1 3 U H2' 2 7 VAL H 12.000 12.000 111.000 24.435 22.725 25.884 . 0 0 "[ . 1]" 2
16 1 3 U H2' 2 8 TYR H 12.000 12.000 111.000 22.479 21.300 23.696 . 0 0 "[ . 1]" 2
17 1 3 U H2' 2 9 LEU H 12.000 12.000 111.000 21.480 19.616 22.996 . 0 0 "[ . 1]" 2
18 1 3 U H2' 2 10 GLY H 12.000 12.000 111.000 21.726 20.077 24.190 . 0 0 "[ . 1]" 2
19 1 3 U H2' 2 11 SER H 12.000 12.000 111.000 21.620 18.340 24.208 . 0 0 "[ . 1]" 2
20 1 3 U H2' 2 12 ILE H 12.000 12.000 111.000 23.356 21.221 25.422 . 0 0 "[ . 1]" 2
21 1 3 U H2' 2 14 TYR H 12.000 12.000 111.000 27.657 25.449 30.849 . 0 0 "[ . 1]" 2
22 1 3 U H2' 2 15 ASP H 12.000 12.000 111.000 29.661 27.547 32.351 . 0 0 "[ . 1]" 2
23 1 3 U H2' 2 16 GLN H 12.000 12.000 111.000 29.849 27.713 32.235 . 0 0 "[ . 1]" 2
24 1 3 U H2' 2 17 THR H 12.000 12.000 111.000 30.784 28.636 32.820 . 0 0 "[ . 1]" 2
25 1 3 U H2' 2 18 GLU H 12.000 12.000 111.000 28.705 26.675 30.302 . 0 0 "[ . 1]" 2
26 1 3 U H2' 2 19 GLU H 12.000 12.000 111.000 31.225 29.206 32.770 . 0 0 "[ . 1]" 2
27 1 3 U H2' 2 20 GLN H 12.000 12.000 111.000 32.367 30.524 34.230 . 0 0 "[ . 1]" 2
28 1 3 U H2' 2 21 ILE H 12.000 12.000 111.000 30.586 28.803 32.371 . 0 0 "[ . 1]" 2
29 1 3 U H2' 2 22 LEU H 12.000 12.000 111.000 30.813 28.993 32.145 . 0 0 "[ . 1]" 2
30 1 3 U H2' 2 23 ASP H 12.000 12.000 111.000 33.169 31.231 34.648 . 0 0 "[ . 1]" 2
31 1 3 U H2' 2 24 LEU H 12.000 12.000 111.000 33.275 31.145 35.674 . 0 0 "[ . 1]" 2
32 1 3 U H2' 2 25 CYS H 12.000 12.000 111.000 31.798 29.763 33.912 . 0 0 "[ . 1]" 2
33 1 3 U H2' 2 26 SER H 12.000 12.000 111.000 32.421 30.382 34.267 . 0 0 "[ . 1]" 2
34 1 3 U H2' 2 27 ASN H 12.000 12.000 111.000 34.831 32.705 36.996 . 0 0 "[ . 1]" 2
35 1 3 U H2' 2 28 VAL H 12.000 12.000 111.000 36.583 34.320 37.439 . 0 0 "[ . 1]" 2
36 1 3 U H2' 2 29 GLY H 12.000 12.000 111.000 35.745 33.335 36.958 . 0 0 "[ . 1]" 2
37 1 3 U H2' 2 31 VAL H 12.000 12.000 111.000 33.691 30.722 35.456 . 0 0 "[ . 1]" 2
38 1 3 U H2' 2 32 ILE H 12.000 12.000 111.000 29.956 26.786 31.693 . 0 0 "[ . 1]" 2
39 1 3 U H2' 2 33 ASN H 12.000 12.000 111.000 27.962 24.434 29.573 . 0 0 "[ . 1]" 2
40 1 3 U H2' 2 34 LEU H 12.000 12.000 111.000 27.045 23.921 28.674 . 0 0 "[ . 1]" 2
41 1 3 U H2' 2 35 LYS H 12.000 12.000 111.000 24.294 21.971 25.401 . 0 0 "[ . 1]" 2
42 1 3 U H2' 2 36 MET H 12.000 12.000 111.000 24.039 21.473 25.986 . 0 0 "[ . 1]" 2
43 1 3 U H2' 2 37 MET H 12.000 12.000 111.000 21.443 18.796 23.547 . 0 0 "[ . 1]" 2
44 1 3 U H2' 2 45 SER H 12.000 12.000 111.000 15.817 12.428 19.066 . 0 0 "[ . 1]" 2
45 1 3 U H2' 2 46 LYS H 12.000 12.000 111.000 19.846 16.830 23.255 . 0 0 "[ . 1]" 2
46 1 3 U H2' 2 47 GLY H 12.000 12.000 111.000 20.742 19.155 22.541 . 0 0 "[ . 1]" 2
47 1 3 U H2' 2 48 TYR H 12.000 12.000 111.000 20.341 17.561 22.192 . 0 0 "[ . 1]" 2
48 1 3 U H2' 2 49 ALA H 12.000 12.000 111.000 20.923 19.014 22.509 . 0 0 "[ . 1]" 2
49 1 3 U H2' 2 50 PHE H 12.000 12.000 111.000 21.706 19.656 22.865 . 0 0 "[ . 1]" 2
50 1 3 U H2' 2 51 ILE H 12.000 12.000 111.000 23.476 21.526 24.574 . 0 0 "[ . 1]" 2
51 1 3 U H2' 2 52 GLU H 12.000 12.000 111.000 25.650 22.599 27.237 . 0 0 "[ . 1]" 2
52 1 3 U H2' 2 53 PHE H 12.000 12.000 111.000 27.364 24.718 28.936 . 0 0 "[ . 1]" 2
53 1 3 U H2' 2 54 ARG H 12.000 12.000 111.000 31.780 28.790 33.478 . 0 0 "[ . 1]" 2
54 1 3 U H2' 2 55 ASP H 12.000 12.000 111.000 31.382 28.296 33.135 . 0 0 "[ . 1]" 2
55 1 3 U H2' 2 56 LEU H 12.000 12.000 111.000 30.597 27.636 32.421 . 0 0 "[ . 1]" 2
56 1 3 U H2' 2 57 GLU H 12.000 12.000 111.000 33.254 30.345 35.008 . 0 0 "[ . 1]" 2
57 1 3 U H2' 2 58 SER H 12.000 12.000 111.000 34.159 31.313 35.723 . 0 0 "[ . 1]" 2
58 1 3 U H2' 2 59 SER H 12.000 12.000 111.000 31.872 29.315 33.283 . 0 0 "[ . 1]" 2
59 1 3 U H2' 2 60 ALA H 12.000 12.000 111.000 32.571 30.430 33.726 . 0 0 "[ . 1]" 2
60 1 3 U H2' 2 61 SER H 12.000 12.000 111.000 34.737 32.893 35.848 . 0 0 "[ . 1]" 2
61 1 3 U H2' 2 73 SER H 12.000 12.000 111.000 26.297 23.948 29.458 . 0 0 "[ . 1]" 2
62 1 5 U H2' 2 1 ASN N 21.800 . 21.800 17.288 14.969 18.961 . 0 0 "[ . 1]" 2
63 1 5 U H2' 2 4 SER H 12.000 12.000 111.000 18.721 18.210 19.889 . 0 0 "[ . 1]" 2
64 1 5 U H2' 2 5 ARG H 21.800 . 21.800 19.621 18.915 20.382 . 0 0 "[ . 1]" 2
65 1 5 U H2' 2 6 VAL H 21.800 . 21.800 18.890 18.297 19.594 . 0 0 "[ . 1]" 2
66 1 5 U H2' 2 7 VAL H 21.800 . 21.800 20.528 19.757 21.384 . 0 0 "[ . 1]" 2
67 1 5 U H2' 2 8 TYR H 21.800 . 21.800 17.850 17.118 18.565 . 0 0 "[ . 1]" 2
68 1 5 U H2' 2 9 LEU H 21.800 . 21.800 19.246 18.327 20.082 . 0 0 "[ . 1]" 2
69 1 5 U H2' 2 10 GLY H 21.800 . 21.800 19.083 18.282 20.076 . 0 0 "[ . 1]" 2
70 1 5 U H2' 2 14 TYR H 31.800 . 31.800 28.939 27.951 31.084 . 0 0 "[ . 1]" 2
71 1 5 U H2' 2 15 ASP H 31.800 . 31.800 30.177 29.139 31.906 0.106 7 0 "[ . 1]" 2
72 1 5 U H2' 2 16 GLN H 31.800 . 31.800 29.792 28.720 31.343 . 0 0 "[ . 1]" 2
73 1 5 U H2' 2 16 GLN QE 31.800 . 31.800 26.142 24.895 28.635 . 0 0 "[ . 1]" 2
74 1 5 U H2' 2 17 THR H 31.800 . 31.800 31.182 30.489 32.693 0.893 7 1 "[ . + 1]" 2
75 1 5 U H2' 2 18 GLU H 31.800 . 31.800 29.861 28.858 31.083 . 0 0 "[ . 1]" 2
76 1 5 U H2' 2 19 GLU H 12.000 12.000 111.000 31.891 30.886 33.103 . 0 0 "[ . 1]" 2
77 1 5 U H2' 2 20 GLN H 12.000 12.000 111.000 32.206 31.249 33.738 . 0 0 "[ . 1]" 2
78 1 5 U H2' 2 20 GLN HE21 12.000 12.000 111.000 31.796 30.882 33.826 . 0 0 "[ . 1]" 2
79 1 5 U H2' 2 20 GLN HE22 12.000 12.000 111.000 32.601 31.299 34.607 . 0 0 "[ . 1]" 2
80 1 5 U H2' 2 21 ILE H 12.000 12.000 111.000 29.824 28.935 31.323 . 0 0 "[ . 1]" 2
81 1 5 U H2' 2 22 LEU H 12.000 12.000 111.000 29.937 29.362 31.088 . 0 0 "[ . 1]" 2
82 1 5 U H2' 2 23 ASP H 12.000 12.000 111.000 31.493 30.825 32.499 . 0 0 "[ . 1]" 2
83 1 5 U H2' 2 24 LEU H 12.000 12.000 111.000 30.980 30.127 31.881 . 0 0 "[ . 1]" 2
84 1 5 U H2' 2 25 CYS H 12.000 12.000 111.000 28.941 28.031 29.756 . 0 0 "[ . 1]" 2
85 1 5 U H2' 2 26 SER H 12.000 12.000 111.000 29.488 28.589 30.741 . 0 0 "[ . 1]" 2
86 1 5 U H2' 2 27 ASN H 12.000 12.000 111.000 31.262 30.184 32.790 . 0 0 "[ . 1]" 2
87 1 5 U H2' 2 28 VAL H 12.000 12.000 111.000 32.331 30.900 33.294 . 0 0 "[ . 1]" 2
88 1 5 U H2' 2 29 GLY H 12.000 12.000 111.000 31.471 30.091 32.219 . 0 0 "[ . 1]" 2
89 1 5 U H2' 2 31 VAL H 12.000 12.000 111.000 30.829 29.864 31.485 . 0 0 "[ . 1]" 2
90 1 5 U H2' 2 32 ILE H 31.800 . 31.800 27.342 26.173 28.166 . 0 0 "[ . 1]" 2
91 1 5 U H2' 2 33 ASN H 31.800 . 31.800 26.025 24.578 27.060 . 0 0 "[ . 1]" 2
92 1 5 U H2' 2 33 ASN QD 21.800 . 21.800 21.940 20.216 22.832 1.032 7 3 "[ -. + *1]" 2
93 1 5 U H2' 2 34 LEU H 31.800 . 31.800 26.919 25.708 27.833 . 0 0 "[ . 1]" 2
94 1 5 U H2' 2 35 LYS H 31.800 . 31.800 24.195 23.247 25.321 . 0 0 "[ . 1]" 2
95 1 5 U H2' 2 36 MET H 31.800 . 31.800 25.818 24.366 27.487 . 0 0 "[ . 1]" 2
96 1 5 U H2' 2 37 MET H 31.800 . 31.800 23.352 21.774 25.337 . 0 0 "[ . 1]" 2
97 1 5 U H2' 2 38 PHE H 31.800 . 31.800 24.263 22.395 26.848 . 0 0 "[ . 1]" 2
98 1 5 U H2' 2 39 ASP H 31.800 . 31.800 22.586 20.925 24.783 . 0 0 "[ . 1]" 2
99 1 5 U H2' 2 41 GLN H 12.000 12.000 111.000 22.665 20.646 27.130 . 0 0 "[ . 1]" 2
100 1 5 U H2' 2 42 THR H 31.800 . 31.800 20.671 18.054 25.271 . 0 0 "[ . 1]" 2
101 1 5 U H2' 2 43 GLY H 12.000 12.000 111.000 21.120 18.365 24.714 . 0 0 "[ . 1]" 2
102 1 5 U H2' 2 44 ARG H 31.800 . 31.800 19.524 16.435 23.014 . 0 0 "[ . 1]" 2
103 1 5 U H2' 2 45 SER H 21.800 . 21.800 19.282 16.547 21.829 0.029 10 0 "[ . 1]" 2
104 1 5 U H2' 2 46 LYS H 21.800 . 21.800 21.801 19.265 23.645 1.845 9 4 "[ -. * +*]" 2
105 1 5 U H2' 2 47 GLY H 21.800 . 21.800 22.316 20.919 24.023 2.223 10 5 "[* .*- *+]" 2
106 1 5 U H2' 2 48 TYR H 21.800 . 21.800 21.968 20.252 23.492 1.692 7 4 "[- . + **]" 2
107 1 5 U H2' 2 49 ALA H 21.800 . 21.800 20.381 19.378 21.447 . 0 0 "[ . 1]" 2
108 1 5 U H2' 2 50 PHE H 21.800 . 21.800 21.605 20.623 22.701 0.901 7 3 "[ . + *-]" 2
109 1 5 U H2' 2 51 ILE H 21.800 . 21.800 21.055 20.232 21.884 0.084 9 0 "[ . 1]" 2
110 1 5 U H2' 2 52 GLU H 31.800 . 31.800 23.556 22.276 24.948 . 0 0 "[ . 1]" 2
111 1 5 U H2' 2 53 PHE H 31.800 . 31.800 23.335 22.457 24.192 . 0 0 "[ . 1]" 2
112 1 5 U H2' 2 54 ARG H 12.000 12.000 111.000 27.631 26.763 28.516 . 0 0 "[ . 1]" 2
113 1 5 U H2' 2 55 ASP H 12.000 12.000 111.000 26.379 25.409 27.384 . 0 0 "[ . 1]" 2
114 1 5 U H2' 2 57 GLU H 12.000 12.000 111.000 27.060 26.321 27.859 . 0 0 "[ . 1]" 2
115 1 5 U H2' 2 58 SER H 12.000 12.000 111.000 28.507 27.822 29.453 . 0 0 "[ . 1]" 2
116 1 5 U H2' 2 59 SER H 12.000 12.000 111.000 26.116 25.541 27.131 . 0 0 "[ . 1]" 2
117 1 5 U H2' 2 60 ALA H 12.000 12.000 111.000 25.860 25.029 26.915 . 0 0 "[ . 1]" 2
118 1 5 U H2' 2 61 SER H 12.000 12.000 111.000 27.878 27.046 29.020 . 0 0 "[ . 1]" 2
119 1 5 U H2' 2 62 ALA H 12.000 12.000 111.000 27.209 26.239 28.435 . 0 0 "[ . 1]" 2
120 1 5 U H2' 2 63 VAL H 12.000 12.000 111.000 24.578 23.618 25.892 . 0 0 "[ . 1]" 2
121 1 5 U H2' 2 64 ARG H 12.000 12.000 111.000 24.801 23.762 26.006 . 0 0 "[ . 1]" 2
122 1 5 U H2' 2 65 ASN H 12.000 12.000 111.000 26.839 25.587 28.014 . 0 0 "[ . 1]" 2
123 1 5 U H2' 2 65 ASN QD 31.800 . 31.800 26.748 26.128 27.788 . 0 0 "[ . 1]" 2
124 1 5 U H2' 2 66 LEU H 31.800 . 31.800 26.302 25.401 27.244 . 0 0 "[ . 1]" 2
125 1 5 U H2' 2 67 ASN H 12.000 12.000 111.000 24.333 23.386 25.397 . 0 0 "[ . 1]" 2
126 1 5 U H2' 2 68 GLY H 21.800 . 21.800 22.856 21.719 23.619 1.819 9 7 "[* * *-**+1]" 2
127 1 5 U H2' 2 69 TYR H 31.800 . 31.800 24.137 23.244 24.841 . 0 0 "[ . 1]" 2
128 1 5 U H2' 2 70 GLN H 12.000 12.000 111.000 27.183 26.054 27.724 . 0 0 "[ . 1]" 2
129 1 5 U H2' 2 70 GLN QE 21.800 . 21.800 24.047 23.207 24.351 2.551 7 10 [******+**-] 2
130 1 5 U H2' 2 71 LEU H 12.000 12.000 111.000 25.533 24.844 26.013 . 0 0 "[ . 1]" 2
131 1 5 U H2' 2 72 GLY H 12.000 12.000 111.000 27.335 26.588 27.988 . 0 0 "[ . 1]" 2
132 1 5 U H2' 2 74 ARG H 31.800 . 31.800 22.407 21.635 23.001 . 0 0 "[ . 1]" 2
133 1 5 U H2' 2 75 PHE H 21.800 . 21.800 20.464 19.541 21.240 . 0 0 "[ . 1]" 2
134 1 5 U H2' 2 76 LEU H 21.800 . 21.800 22.276 21.426 23.149 1.349 9 4 "[* . *-+1]" 2
135 1 5 U H2' 2 77 LYS H 31.800 . 31.800 18.551 17.380 19.622 . 0 0 "[ . 1]" 2
136 1 5 U H2' 2 78 CYS H 31.800 . 31.800 17.174 16.527 18.882 . 0 0 "[ . 1]" 2
137 1 5 U H2' 2 80 TYR H 12.000 12.000 111.000 14.602 13.720 15.683 . 0 0 "[ . 1]" 2
138 1 5 U H2' 2 81 SER H 21.800 . 21.800 16.401 14.288 17.907 . 0 0 "[ . 1]" 2
139 1 5 U H2' 2 83 ASN H 21.800 . 21.800 19.449 14.892 22.323 0.523 8 1 "[ . + 1]" 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 132
_Distance_constraint_stats_list.Viol_count 537
_Distance_constraint_stats_list.Viol_total 83.628
_Distance_constraint_stats_list.Viol_max 0.151
_Distance_constraint_stats_list.Viol_rms 0.0120
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0063
_Distance_constraint_stats_list.Viol_average_violations_only 0.0156
_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
2 5 ARG 0.141 0.027 8 0 "[ . 1]"
2 6 VAL 0.026 0.017 6 0 "[ . 1]"
2 7 VAL 0.253 0.038 2 0 "[ . 1]"
2 8 TYR 0.061 0.021 9 0 "[ . 1]"
2 9 LEU 0.122 0.020 4 0 "[ . 1]"
2 17 THR 0.003 0.002 5 0 "[ . 1]"
2 18 GLU 0.092 0.022 7 0 "[ . 1]"
2 20 GLN 0.245 0.026 7 0 "[ . 1]"
2 21 ILE 0.211 0.035 8 0 "[ . 1]"
2 22 LEU 0.092 0.022 7 0 "[ . 1]"
2 24 LEU 0.245 0.026 7 0 "[ . 1]"
2 25 CYS 0.207 0.035 8 0 "[ . 1]"
2 33 ASN 0.198 0.037 4 0 "[ . 1]"
2 35 LYS 0.255 0.035 5 0 "[ . 1]"
2 37 MET 0.348 0.151 7 0 "[ . 1]"
2 39 ASP 0.405 0.069 7 0 "[ . 1]"
2 45 SER 0.405 0.069 7 0 "[ . 1]"
2 48 TYR 0.348 0.151 7 0 "[ . 1]"
2 49 ALA 0.122 0.020 4 0 "[ . 1]"
2 50 PHE 0.255 0.035 5 0 "[ . 1]"
2 51 ILE 0.253 0.038 2 0 "[ . 1]"
2 52 GLU 0.198 0.037 4 0 "[ . 1]"
2 53 PHE 0.141 0.027 8 0 "[ . 1]"
2 55 ASP 0.191 0.033 5 0 "[ . 1]"
2 56 LEU 0.048 0.012 3 0 "[ . 1]"
2 57 GLU 0.498 0.044 6 0 "[ . 1]"
2 58 SER 0.383 0.036 7 0 "[ . 1]"
2 59 SER 0.305 0.033 5 0 "[ . 1]"
2 60 ALA 0.143 0.017 6 0 "[ . 1]"
2 61 SER 0.659 0.044 6 0 "[ . 1]"
2 62 ALA 0.383 0.036 7 0 "[ . 1]"
2 63 VAL 0.114 0.028 6 0 "[ . 1]"
2 64 ARG 0.095 0.017 6 0 "[ . 1]"
2 65 ASN 0.161 0.025 2 0 "[ . 1]"
2 77 LYS 0.061 0.021 9 0 "[ . 1]"
2 79 GLY 0.026 0.017 6 0 "[ . 1]"
3 4 CYS 0.201 0.037 8 0 "[ . 1]"
3 5 LYS 0.069 0.015 6 0 "[ . 1]"
3 6 MET 0.147 0.037 5 0 "[ . 1]"
3 7 PHE 0.050 0.012 7 0 "[ . 1]"
3 8 ILE 0.161 0.024 2 0 "[ . 1]"
3 9 GLY 0.061 0.015 9 0 "[ . 1]"
3 17 GLU 0.106 0.039 9 0 "[ . 1]"
3 18 ASP 0.059 0.016 5 0 "[ . 1]"
3 19 ASN 0.198 0.036 10 0 "[ . 1]"
3 20 LEU 0.031 0.019 6 0 "[ . 1]"
3 21 ARG 0.539 0.056 3 0 "[ . 1]"
3 22 GLU 0.059 0.016 5 0 "[ . 1]"
3 23 TYR 0.198 0.036 10 0 "[ . 1]"
3 24 PHE 0.031 0.019 6 0 "[ . 1]"
3 25 GLY 0.433 0.056 3 0 "[ . 1]"
3 32 ASP 0.073 0.042 5 0 "[ . 1]"
3 34 LYS 0.094 0.027 6 0 "[ . 1]"
3 48 GLY 0.161 0.024 2 0 "[ . 1]"
3 49 PHE 0.094 0.027 6 0 "[ . 1]"
3 50 LEU 0.147 0.037 5 0 "[ . 1]"
3 51 SER 0.073 0.042 5 0 "[ . 1]"
3 52 PHE 0.201 0.037 8 0 "[ . 1]"
3 57 SER 0.060 0.023 2 0 "[ . 1]"
3 59 ASP 0.033 0.018 2 0 "[ . 1]"
3 61 VAL 0.060 0.023 2 0 "[ . 1]"
3 63 LYS 0.033 0.018 2 0 "[ . 1]"
3 74 ASP 0.061 0.015 9 0 "[ . 1]"
3 76 LYS 0.050 0.012 7 0 "[ . 1]"
3 78 ALA 0.069 0.015 6 0 "[ . 1]"
3 80 PRO 0.020 0.007 8 0 "[ . 1]"
3 81 ARG 0.036 0.010 4 0 "[ . 1]"
3 84 GLN 0.020 0.007 8 0 "[ . 1]"
3 85 ASP 0.036 0.010 4 0 "[ . 1]"
3 88 GLY 0.062 0.016 6 0 "[ . 1]"
3 89 LYS 0.132 0.025 8 0 "[ . 1]"
3 90 ILE 0.181 0.028 5 0 "[ . 1]"
3 91 PHE 0.475 0.044 4 0 "[ . 1]"
3 92 VAL 0.071 0.013 2 0 "[ . 1]"
3 93 GLY 0.089 0.017 10 0 "[ . 1]"
3 101 PRO 0.069 0.015 9 0 "[ . 1]"
3 102 LYS 0.099 0.020 7 0 "[ . 1]"
3 103 GLU 0.332 0.044 7 0 "[ . 1]"
3 104 PHE 0.412 0.068 10 0 "[ . 1]"
3 105 GLU 0.069 0.015 9 0 "[ . 1]"
3 106 GLU 0.099 0.020 7 0 "[ . 1]"
3 107 PHE 0.332 0.044 7 0 "[ . 1]"
3 108 PHE 0.412 0.068 10 0 "[ . 1]"
3 118 GLN 0.167 0.026 10 0 "[ . 1]"
3 132 GLY 0.071 0.013 2 0 "[ . 1]"
3 133 PHE 0.167 0.026 10 0 "[ . 1]"
3 134 VAL 0.181 0.028 5 0 "[ . 1]"
3 136 TYR 0.062 0.016 6 0 "[ . 1]"
3 139 ALA 0.039 0.013 4 0 "[ . 1]"
3 140 ASP 0.076 0.025 8 0 "[ . 1]"
3 141 ALA 0.000 0.000 . 0 "[ . 1]"
3 142 VAL 0.026 0.006 6 0 "[ . 1]"
3 143 ASP 0.039 0.013 4 0 "[ . 1]"
3 144 ARG 0.076 0.025 8 0 "[ . 1]"
3 145 VAL 0.000 0.000 . 0 "[ . 1]"
3 146 CYS 0.026 0.006 6 0 "[ . 1]"
3 149 LYS 0.136 0.033 8 0 "[ . 1]"
3 151 ILE 0.317 0.108 8 0 "[ . 1]"
3 158 ILE 0.317 0.108 8 0 "[ . 1]"
3 159 GLU 0.089 0.017 10 0 "[ . 1]"
3 160 ILE 0.136 0.033 8 0 "[ . 1]"
3 161 LYS 0.475 0.044 4 0 "[ . 1]"
3 163 ALA 0.132 0.025 8 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 2 6 VAL H 2 79 GLY O 2.100 . 2.100 2.008 1.893 2.117 0.017 6 0 "[ . 1]" 3
2 2 6 VAL N 2 79 GLY O 3.100 2.700 3.100 2.925 2.771 3.059 . 0 0 "[ . 1]" 3
3 2 7 VAL H 2 51 ILE O 2.100 . 2.100 2.084 2.028 2.113 0.013 5 0 "[ . 1]" 3
4 2 7 VAL N 2 51 ILE O 3.100 2.700 3.100 3.019 2.918 3.090 . 0 0 "[ . 1]" 3
5 2 8 TYR H 2 77 LYS O 2.100 . 2.100 2.079 1.866 2.121 0.021 9 0 "[ . 1]" 3
6 2 8 TYR N 2 77 LYS O 3.100 2.700 3.100 3.001 2.810 3.088 . 0 0 "[ . 1]" 3
7 2 9 LEU H 2 49 ALA O 2.100 . 2.100 2.029 1.791 2.113 0.013 4 0 "[ . 1]" 3
8 2 9 LEU N 2 49 ALA O 3.100 2.700 3.100 2.937 2.711 3.063 . 0 0 "[ . 1]" 3
9 2 17 THR O 2 21 ILE H 2.100 . 2.100 1.971 1.799 2.102 0.002 5 0 "[ . 1]" 3
10 2 17 THR O 2 21 ILE N 3.100 2.700 3.100 2.902 2.734 3.078 . 0 0 "[ . 1]" 3
11 2 18 GLU O 2 22 LEU H 2.100 . 2.100 2.074 1.911 2.122 0.022 7 0 "[ . 1]" 3
12 2 18 GLU O 2 22 LEU N 3.100 2.700 3.100 2.933 2.767 3.016 . 0 0 "[ . 1]" 3
13 2 20 GLN O 2 24 LEU H 2.100 . 2.100 1.854 1.778 2.124 0.024 2 0 "[ . 1]" 3
14 2 20 GLN O 2 24 LEU N 3.100 2.700 3.100 2.750 2.674 3.011 0.026 7 0 "[ . 1]" 3
15 2 21 ILE O 2 25 CYS H 2.100 . 2.100 2.082 1.894 2.135 0.035 8 0 "[ . 1]" 3
16 2 21 ILE O 2 25 CYS N 3.100 2.700 3.100 3.043 2.811 3.110 0.010 9 0 "[ . 1]" 3
17 2 33 ASN H 2 52 GLU O 2.100 . 2.100 2.119 2.107 2.137 0.037 4 0 "[ . 1]" 3
18 2 33 ASN N 2 52 GLU O 3.100 2.700 3.100 3.057 2.994 3.084 . 0 0 "[ . 1]" 3
19 2 35 LYS H 2 50 PHE O 2.100 . 2.100 2.117 2.104 2.135 0.035 5 0 "[ . 1]" 3
20 2 35 LYS N 2 50 PHE O 3.100 2.700 3.100 2.922 2.862 2.958 . 0 0 "[ . 1]" 3
21 2 39 ASP H 2 45 SER O 2.100 . 2.100 2.129 2.104 2.169 0.069 7 0 "[ . 1]" 3
22 2 39 ASP N 2 45 SER O 3.100 2.700 3.100 2.772 2.666 3.030 0.034 1 0 "[ . 1]" 3
23 2 37 MET O 2 48 TYR H 2.100 . 2.100 2.020 1.866 2.251 0.151 7 0 "[ . 1]" 3
24 2 37 MET O 2 48 TYR N 3.100 2.700 3.100 2.870 2.688 3.224 0.124 7 0 "[ . 1]" 3
25 2 9 LEU O 2 49 ALA H 2.100 . 2.100 2.038 1.897 2.120 0.020 4 0 "[ . 1]" 3
26 2 9 LEU O 2 49 ALA N 3.100 2.700 3.100 2.957 2.845 3.093 . 0 0 "[ . 1]" 3
27 2 35 LYS O 2 50 PHE H 2.100 . 2.100 2.077 1.946 2.119 0.019 1 0 "[ . 1]" 3
28 2 35 LYS O 2 50 PHE N 3.100 2.700 3.100 2.883 2.795 2.980 . 0 0 "[ . 1]" 3
29 2 7 VAL O 2 51 ILE H 2.100 . 2.100 2.111 2.021 2.138 0.038 2 0 "[ . 1]" 3
30 2 7 VAL O 2 51 ILE N 3.100 2.700 3.100 3.072 2.925 3.122 0.022 5 0 "[ . 1]" 3
31 2 33 ASN O 2 52 GLU H 2.100 . 2.100 2.036 1.935 2.108 0.008 3 0 "[ . 1]" 3
32 2 33 ASN O 2 52 GLU N 3.100 2.700 3.100 2.788 2.725 2.853 . 0 0 "[ . 1]" 3
33 2 5 ARG O 2 53 PHE H 2.100 . 2.100 2.114 2.100 2.127 0.027 8 0 "[ . 1]" 3
34 2 5 ARG O 2 53 PHE N 3.100 2.700 3.100 3.053 3.001 3.088 . 0 0 "[ . 1]" 3
35 2 55 ASP O 2 59 SER H 2.100 . 2.100 1.805 1.788 1.847 0.012 6 0 "[ . 1]" 3
36 2 55 ASP O 2 59 SER N 3.100 2.700 3.100 2.688 2.667 2.739 0.033 5 0 "[ . 1]" 3
37 2 56 LEU O 2 60 ALA H 2.100 . 2.100 2.022 1.969 2.105 0.005 5 0 "[ . 1]" 3
38 2 56 LEU O 2 60 ALA N 3.100 2.700 3.100 2.725 2.688 2.791 0.012 3 0 "[ . 1]" 3
39 2 57 GLU O 2 61 SER H 2.100 . 2.100 2.137 2.126 2.144 0.044 6 0 "[ . 1]" 3
40 2 57 GLU O 2 61 SER N 3.100 2.700 3.100 3.113 3.100 3.121 0.021 6 0 "[ . 1]" 3
41 2 58 SER O 2 62 ALA H 2.100 . 2.100 1.776 1.764 1.793 0.036 7 0 "[ . 1]" 3
42 2 58 SER O 2 62 ALA N 3.100 2.700 3.100 2.687 2.675 2.711 0.025 6 0 "[ . 1]" 3
43 2 59 SER O 2 63 VAL H 2.100 . 2.100 2.023 1.909 2.102 0.002 10 0 "[ . 1]" 3
44 2 59 SER O 2 63 VAL N 3.100 2.700 3.100 2.709 2.672 2.879 0.028 6 0 "[ . 1]" 3
45 2 60 ALA O 2 64 ARG H 2.100 . 2.100 2.110 2.103 2.117 0.017 6 0 "[ . 1]" 3
46 2 60 ALA O 2 64 ARG N 3.100 2.700 3.100 2.963 2.936 2.988 . 0 0 "[ . 1]" 3
47 2 61 SER O 2 65 ASN H 2.100 . 2.100 2.116 2.110 2.125 0.025 2 0 "[ . 1]" 3
48 2 61 SER O 2 65 ASN N 3.100 2.700 3.100 3.004 2.961 3.093 . 0 0 "[ . 1]" 3
49 3 17 GLU O 3 21 ARG H 1.950 . 2.100 1.881 1.761 2.112 0.039 9 0 "[ . 1]" 3
50 3 17 GLU O 3 21 ARG N 2.900 2.700 3.100 2.819 2.723 3.016 . 0 0 "[ . 1]" 3
51 3 18 ASP O 3 22 GLU H 1.950 . 2.100 2.012 1.823 2.114 0.014 9 0 "[ . 1]" 3
52 3 18 ASP O 3 22 GLU N 2.900 2.700 3.100 2.894 2.684 3.020 0.016 5 0 "[ . 1]" 3
53 3 19 ASN O 3 23 TYR H 1.950 . 2.100 2.120 2.109 2.136 0.036 10 0 "[ . 1]" 3
54 3 19 ASN O 3 23 TYR N 2.900 2.700 3.100 2.918 2.848 2.977 . 0 0 "[ . 1]" 3
55 3 20 LEU O 3 24 PHE H 1.950 . 2.100 2.027 1.881 2.119 0.019 6 0 "[ . 1]" 3
56 3 20 LEU O 3 24 PHE N 2.900 2.700 3.100 2.936 2.795 3.081 . 0 0 "[ . 1]" 3
57 3 21 ARG O 3 25 GLY H 1.950 . 2.100 2.041 1.786 2.148 0.048 3 0 "[ . 1]" 3
58 3 21 ARG O 3 25 GLY N 2.900 2.700 3.100 2.676 2.644 2.724 0.056 3 0 "[ . 1]" 3
59 3 57 SER O 3 61 VAL H 1.950 . 2.100 1.972 1.796 2.108 0.008 3 0 "[ . 1]" 3
60 3 57 SER O 3 61 VAL N 2.900 2.700 3.100 2.860 2.677 3.019 0.023 2 0 "[ . 1]" 3
61 3 59 ASP O 3 63 LYS H 1.950 . 2.100 1.990 1.798 2.118 0.018 2 0 "[ . 1]" 3
62 3 59 ASP O 3 63 LYS N 2.900 2.700 3.100 2.881 2.713 3.050 . 0 0 "[ . 1]" 3
63 3 81 ARG O 3 85 ASP H 1.950 . 2.100 2.011 1.792 2.110 0.010 4 0 "[ . 1]" 3
64 3 81 ARG O 3 85 ASP N 2.900 2.700 3.100 2.947 2.711 3.064 . 0 0 "[ . 1]" 3
65 3 80 PRO O 3 84 GLN H 1.950 . 2.100 1.971 1.796 2.107 0.007 8 0 "[ . 1]" 3
66 3 80 PRO O 3 84 GLN N 2.900 2.700 3.100 2.905 2.732 3.055 . 0 0 "[ . 1]" 3
67 3 101 PRO O 3 105 GLU H 1.950 . 2.100 2.089 1.967 2.115 0.015 9 0 "[ . 1]" 3
68 3 101 PRO O 3 105 GLU N 2.900 2.700 3.100 3.005 2.932 3.072 . 0 0 "[ . 1]" 3
69 3 102 LYS O 3 106 GLU H 1.950 . 2.100 2.062 1.858 2.120 0.020 7 0 "[ . 1]" 3
70 3 102 LYS O 3 106 GLU N 2.900 2.700 3.100 2.985 2.792 3.082 . 0 0 "[ . 1]" 3
71 3 103 GLU O 3 107 PHE H 1.950 . 2.100 1.920 1.768 2.113 0.032 3 0 "[ . 1]" 3
72 3 103 GLU O 3 107 PHE N 2.900 2.700 3.100 2.680 2.656 2.709 0.044 7 0 "[ . 1]" 3
73 3 104 PHE O 3 108 PHE H 1.950 . 2.100 2.141 2.121 2.168 0.068 10 0 "[ . 1]" 3
74 3 104 PHE O 3 108 PHE N 2.900 2.700 3.100 2.968 2.902 3.030 . 0 0 "[ . 1]" 3
75 3 139 ALA O 3 143 ASP H 1.950 . 2.100 2.057 1.911 2.113 0.013 4 0 "[ . 1]" 3
76 3 139 ALA O 3 143 ASP N 2.900 2.700 3.100 2.996 2.886 3.060 . 0 0 "[ . 1]" 3
77 3 140 ASP O 3 144 ARG H 1.950 . 2.100 2.013 1.880 2.108 0.008 10 0 "[ . 1]" 3
78 3 140 ASP O 3 144 ARG N 2.900 2.700 3.100 2.764 2.675 2.858 0.025 8 0 "[ . 1]" 3
79 3 141 ALA O 3 145 VAL H 1.950 . 2.100 1.962 1.912 2.094 . 0 0 "[ . 1]" 3
80 3 141 ALA O 3 145 VAL N 2.900 2.700 3.100 2.912 2.850 3.028 . 0 0 "[ . 1]" 3
81 3 142 VAL O 3 146 CYS H 1.950 . 2.100 1.881 1.795 2.105 0.005 6 0 "[ . 1]" 3
82 3 142 VAL O 3 146 CYS N 2.900 2.700 3.100 2.762 2.694 2.941 0.006 6 0 "[ . 1]" 3
83 3 6 MET H 3 50 LEU O 1.950 . 2.100 2.090 1.881 2.137 0.037 5 0 "[ . 1]" 3
84 3 6 MET N 3 50 LEU O 2.900 2.700 3.100 2.879 2.688 3.072 0.012 9 0 "[ . 1]" 3
85 3 7 PHE H 3 76 LYS O 1.950 . 2.100 1.849 1.788 2.084 0.012 7 0 "[ . 1]" 3
86 3 7 PHE N 3 76 LYS O 2.900 2.700 3.100 2.760 2.692 2.956 0.008 2 0 "[ . 1]" 3
87 3 8 ILE H 3 48 GLY O 1.950 . 2.100 1.976 1.877 2.076 . 0 0 "[ . 1]" 3
88 3 8 ILE N 3 48 GLY O 2.900 2.700 3.100 2.759 2.682 2.944 0.018 10 0 "[ . 1]" 3
89 3 9 GLY H 3 74 ASP O 1.950 . 2.100 2.055 1.849 2.115 0.015 9 0 "[ . 1]" 3
90 3 9 GLY N 3 74 ASP O 2.900 2.700 3.100 2.863 2.701 3.059 . 0 0 "[ . 1]" 3
91 3 34 LYS H 3 49 PHE O 1.950 . 2.100 1.997 1.834 2.112 0.012 10 0 "[ . 1]" 3
92 3 34 LYS N 3 49 PHE O 2.900 2.700 3.100 2.890 2.710 3.011 . 0 0 "[ . 1]" 3
93 3 8 ILE O 3 48 GLY H 1.950 . 2.100 2.111 2.094 2.124 0.024 2 0 "[ . 1]" 3
94 3 8 ILE O 3 48 GLY N 2.900 2.700 3.100 3.020 2.929 3.100 . 0 0 "[ . 1]" 3
95 3 34 LYS O 3 49 PHE H 1.950 . 2.100 2.053 1.794 2.127 0.027 6 0 "[ . 1]" 3
96 3 34 LYS O 3 49 PHE N 2.900 2.700 3.100 2.958 2.767 3.103 0.003 2 0 "[ . 1]" 3
97 3 32 ASP O 3 51 SER H 1.950 . 2.100 2.052 1.970 2.142 0.042 5 0 "[ . 1]" 3
98 3 32 ASP O 3 51 SER N 2.900 2.700 3.100 2.854 2.680 3.085 0.020 6 0 "[ . 1]" 3
99 3 4 CYS O 3 52 PHE H 1.950 . 2.100 2.118 2.107 2.137 0.037 8 0 "[ . 1]" 3
100 3 4 CYS O 3 52 PHE N 2.900 2.700 3.100 2.831 2.685 3.087 0.015 8 0 "[ . 1]" 3
101 3 5 LYS O 3 78 ALA H 1.950 . 2.100 2.091 2.023 2.115 0.015 6 0 "[ . 1]" 3
102 3 5 LYS O 3 78 ALA N 2.900 2.700 3.100 2.944 2.698 3.057 0.002 5 0 "[ . 1]" 3
103 3 90 ILE H 3 134 VAL O 1.950 . 2.100 2.065 1.931 2.111 0.011 3 0 "[ . 1]" 3
104 3 90 ILE N 3 134 VAL O 2.900 2.700 3.100 2.990 2.891 3.046 . 0 0 "[ . 1]" 3
105 3 91 PHE H 3 161 LYS O 1.950 . 2.100 1.941 1.786 2.132 0.032 7 0 "[ . 1]" 3
106 3 91 PHE N 3 161 LYS O 2.900 2.700 3.100 2.718 2.657 3.057 0.043 6 0 "[ . 1]" 3
107 3 92 VAL H 3 132 GLY O 1.950 . 2.100 1.979 1.793 2.105 0.007 1 0 "[ . 1]" 3
108 3 92 VAL N 3 132 GLY O 2.900 2.700 3.100 2.856 2.734 3.031 . 0 0 "[ . 1]" 3
109 3 93 GLY H 3 159 GLU O 1.950 . 2.100 1.861 1.790 1.975 0.010 9 0 "[ . 1]" 3
110 3 93 GLY N 3 159 GLU O 2.900 2.700 3.100 2.753 2.683 2.868 0.017 10 0 "[ . 1]" 3
111 3 118 GLN H 3 133 PHE O 1.950 . 2.100 2.113 2.108 2.126 0.026 10 0 "[ . 1]" 3
112 3 118 GLN N 3 133 PHE O 2.900 2.700 3.100 3.058 2.941 3.104 0.004 10 0 "[ . 1]" 3
113 3 92 VAL O 3 132 GLY H 1.950 . 2.100 2.086 1.944 2.113 0.013 2 0 "[ . 1]" 3
114 3 92 VAL O 3 132 GLY N 2.900 2.700 3.100 2.902 2.782 3.040 . 0 0 "[ . 1]" 3
115 3 118 GLN O 3 133 PHE H 1.950 . 2.100 2.055 1.901 2.110 0.010 6 0 "[ . 1]" 3
116 3 118 GLN O 3 133 PHE N 2.900 2.700 3.100 2.928 2.808 3.046 . 0 0 "[ . 1]" 3
117 3 90 ILE O 3 134 VAL H 1.950 . 2.100 2.092 1.889 2.128 0.028 5 0 "[ . 1]" 3
118 3 90 ILE O 3 134 VAL N 2.900 2.700 3.100 2.984 2.837 3.058 . 0 0 "[ . 1]" 3
119 3 88 GLY O 3 136 TYR H 1.950 . 2.100 2.093 1.998 2.116 0.016 6 0 "[ . 1]" 3
120 3 88 GLY O 3 136 TYR N 2.900 2.700 3.100 2.984 2.882 3.031 . 0 0 "[ . 1]" 3
121 3 151 ILE O 3 158 ILE H 1.950 . 2.100 2.078 1.971 2.208 0.108 8 0 "[ . 1]" 3
122 3 151 ILE O 3 158 ILE N 2.900 2.700 3.100 2.873 2.636 3.035 0.064 8 0 "[ . 1]" 3
123 3 93 GLY O 3 159 GLU H 1.950 . 2.100 1.988 1.788 2.108 0.012 2 0 "[ . 1]" 3
124 3 93 GLY O 3 159 GLU N 2.900 2.700 3.100 2.795 2.690 2.951 0.010 4 0 "[ . 1]" 3
125 3 149 LYS O 3 160 ILE H 1.950 . 2.100 2.091 1.970 2.133 0.033 8 0 "[ . 1]" 3
126 3 149 LYS O 3 160 ILE N 2.900 2.700 3.100 2.971 2.841 3.081 . 0 0 "[ . 1]" 3
127 3 91 PHE O 3 161 LYS H 1.950 . 2.100 2.122 2.108 2.144 0.044 4 0 "[ . 1]" 3
128 3 91 PHE O 3 161 LYS N 2.900 2.700 3.100 2.923 2.836 3.061 . 0 0 "[ . 1]" 3
129 3 89 LYS O 3 163 ALA H 1.950 . 2.100 2.081 1.799 2.125 0.025 8 0 "[ . 1]" 3
130 3 89 LYS O 3 163 ALA N 2.900 2.700 3.100 2.949 2.745 3.035 . 0 0 "[ . 1]" 3
131 3 151 ILE H 3 158 ILE O 1.950 . 2.100 2.030 1.798 2.109 0.009 7 0 "[ . 1]" 3
132 3 151 ILE N 3 158 ILE O 2.900 2.700 3.100 2.949 2.701 3.044 . 0 0 "[ . 1]" 3
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