NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
578264 |
2m9q   |
19306 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m9q
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 1084
_Distance_constraint_stats_list.Viol_count 615
_Distance_constraint_stats_list.Viol_total 778.218
_Distance_constraint_stats_list.Viol_max 0.915
_Distance_constraint_stats_list.Viol_rms 0.0394
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0072
_Distance_constraint_stats_list.Viol_average_violations_only 0.1265
_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 3 ALA 0.705 0.273 6 0 "[ . 1]"
1 4 ALA 0.932 0.235 6 0 "[ . 1]"
1 5 ASP 0.399 0.235 6 0 "[ . 1]"
1 6 LEU 3.335 0.915 4 2 "[ +. -1]"
1 7 GLU 1.074 0.272 2 0 "[ . 1]"
1 8 LEU 1.497 0.202 10 0 "[ . 1]"
1 9 GLU 0.074 0.074 1 0 "[ . 1]"
1 10 ARG 0.000 0.000 . 0 "[ . 1]"
1 11 ALA 0.030 0.030 5 0 "[ . 1]"
1 12 ALA 0.004 0.004 9 0 "[ . 1]"
1 13 ASP 0.000 0.000 . 0 "[ . 1]"
1 14 VAL 0.115 0.065 5 0 "[ . 1]"
1 15 LYS 0.000 0.000 . 0 "[ . 1]"
1 16 TRP 2.009 0.298 10 0 "[ . 1]"
1 17 GLU 0.695 0.155 7 0 "[ . 1]"
1 18 ASP 0.386 0.252 10 0 "[ . 1]"
1 19 GLN 0.331 0.122 10 0 "[ . 1]"
1 20 ALA 0.296 0.155 7 0 "[ . 1]"
1 21 GLU 0.446 0.122 10 0 "[ . 1]"
1 22 ILE 0.134 0.134 3 0 "[ . 1]"
1 23 SER 1.079 0.269 10 0 "[ . 1]"
1 24 GLY 0.178 0.103 3 0 "[ . 1]"
1 25 SER 0.447 0.191 5 0 "[ . 1]"
1 26 SER 0.000 0.000 . 0 "[ . 1]"
1 28 ILE 0.000 0.000 . 0 "[ . 1]"
1 29 LEU 1.938 0.271 10 0 "[ . 1]"
1 30 SER 1.001 0.157 9 0 "[ . 1]"
1 31 ILE 2.511 0.429 6 0 "[ . 1]"
1 32 THR 0.000 0.000 . 0 "[ . 1]"
1 33 ILE 1.318 0.222 4 0 "[ . 1]"
1 34 SER 0.127 0.103 7 0 "[ . 1]"
1 35 GLU 0.000 0.000 . 0 "[ . 1]"
1 36 ASP 0.000 0.000 . 0 "[ . 1]"
1 37 GLY 0.000 0.000 . 0 "[ . 1]"
1 38 SER 0.127 0.103 7 0 "[ . 1]"
1 39 MET 2.273 0.222 4 0 "[ . 1]"
1 40 SER 0.315 0.072 6 0 "[ . 1]"
1 41 ILE 2.800 0.320 4 0 "[ . 1]"
1 42 LYS 0.106 0.072 6 0 "[ . 1]"
1 46 GLU 0.000 0.000 . 0 "[ . 1]"
1 47 GLU 0.000 0.000 . 0 "[ . 1]"
1 48 GLN 0.000 0.000 . 0 "[ . 1]"
1 49 THR 0.521 0.243 8 0 "[ . 1]"
1 50 LEU 0.855 0.276 7 0 "[ . 1]"
1 51 GLY 1.733 0.276 7 0 "[ . 1]"
1 55 SER 0.000 0.000 . 0 "[ . 1]"
1 56 GLY 0.000 0.000 . 0 "[ . 1]"
1 60 GLU 0.000 0.000 . 0 "[ . 1]"
1 61 PHE 0.000 0.000 . 0 "[ . 1]"
1 62 ALA 0.000 0.000 . 0 "[ . 1]"
1 63 GLY 0.000 0.000 . 0 "[ . 1]"
1 64 VAL 3.110 0.440 6 0 "[ . 1]"
1 65 LEU 0.000 0.000 . 0 "[ . 1]"
1 66 TRP 7.213 0.504 3 1 "[ + . 1]"
1 67 ASP 2.753 0.504 3 1 "[ + . 1]"
1 68 VAL 1.031 0.438 7 0 "[ . 1]"
1 70 SER 0.000 0.000 . 0 "[ . 1]"
1 74 VAL 0.000 0.000 . 0 "[ . 1]"
1 75 GLY 0.000 0.000 . 0 "[ . 1]"
1 76 LYS 0.033 0.033 3 0 "[ . 1]"
1 77 ALA 0.033 0.033 3 0 "[ . 1]"
1 79 LEU 0.799 0.183 2 0 "[ . 1]"
1 81 ASP 0.183 0.183 2 0 "[ . 1]"
1 82 GLY 0.013 0.013 9 0 "[ . 1]"
1 83 ALA 0.030 0.030 5 0 "[ . 1]"
1 84 TYR 0.097 0.056 5 0 "[ . 1]"
1 85 ARG 0.254 0.150 3 0 "[ . 1]"
1 86 ILE 1.536 0.273 3 0 "[ . 1]"
1 87 LYS 0.368 0.242 1 0 "[ . 1]"
1 88 GLN 5.338 0.915 4 2 "[ +. -1]"
1 89 LYS 1.250 0.241 7 0 "[ . 1]"
1 90 GLY 0.000 0.000 . 0 "[ . 1]"
1 91 ILE 2.888 0.841 6 1 "[ .+ 1]"
1 92 LEU 0.000 0.000 . 0 "[ . 1]"
1 93 GLY 0.000 0.000 . 0 "[ . 1]"
1 94 TYR 0.000 0.000 . 0 "[ . 1]"
1 95 SER 3.793 0.841 6 1 "[ .+ 1]"
1 96 GLN 0.000 0.000 . 0 "[ . 1]"
1 97 ILE 3.567 0.447 9 0 "[ . 1]"
1 98 GLY 0.158 0.105 8 0 "[ . 1]"
1 99 ALA 0.037 0.037 3 0 "[ . 1]"
1 100 GLY 0.401 0.202 10 0 "[ . 1]"
1 101 VAL 0.864 0.186 5 0 "[ . 1]"
1 102 TYR 0.000 0.000 . 0 "[ . 1]"
1 103 LYS 0.000 0.000 . 0 "[ . 1]"
1 104 GLU 0.148 0.065 5 0 "[ . 1]"
1 105 GLY 0.043 0.035 6 0 "[ . 1]"
1 106 THR 0.397 0.164 1 0 "[ . 1]"
1 107 PHE 0.623 0.148 7 0 "[ . 1]"
1 108 HIS 0.097 0.097 9 0 "[ . 1]"
1 109 THR 0.188 0.080 10 0 "[ . 1]"
1 110 MET 1.708 0.272 6 0 "[ . 1]"
1 111 TRP 2.054 0.318 1 0 "[ . 1]"
1 112 HIS 0.000 0.000 . 0 "[ . 1]"
1 113 VAL 0.592 0.272 6 0 "[ . 1]"
1 114 THR 1.429 0.273 6 0 "[ . 1]"
1 115 ARG 0.000 0.000 . 0 "[ . 1]"
1 116 GLY 0.468 0.199 9 0 "[ . 1]"
1 117 ALA 0.273 0.155 7 0 "[ . 1]"
1 118 VAL 1.190 0.349 9 0 "[ . 1]"
1 119 LEU 1.182 0.217 4 0 "[ . 1]"
1 120 MET 5.098 0.349 9 0 "[ . 1]"
1 121 HIS 0.000 0.000 . 0 "[ . 1]"
1 122 LYS 0.505 0.218 7 0 "[ . 1]"
1 123 GLY 0.088 0.088 5 0 "[ . 1]"
1 124 LYS 0.000 0.000 . 0 "[ . 1]"
1 125 ARG 0.000 0.000 . 0 "[ . 1]"
1 126 ILE 0.683 0.236 6 0 "[ . 1]"
1 127 GLU 0.000 0.000 . 0 "[ . 1]"
1 129 SER 0.794 0.148 7 0 "[ . 1]"
1 130 TRP 5.555 0.337 3 0 "[ . 1]"
1 131 ALA 0.000 0.000 . 0 "[ . 1]"
1 132 ASP 0.000 0.000 . 0 "[ . 1]"
1 133 VAL 1.084 0.261 8 0 "[ . 1]"
1 134 LYS 0.000 0.000 . 0 "[ . 1]"
1 135 LYS 0.000 0.000 . 0 "[ . 1]"
1 136 ASP 0.000 0.000 . 0 "[ . 1]"
1 137 LEU 0.141 0.091 7 0 "[ . 1]"
1 138 ILE 2.417 0.337 3 0 "[ . 1]"
1 139 SER 0.000 0.000 . 0 "[ . 1]"
1 140 TYR 0.000 0.000 . 0 "[ . 1]"
1 141 GLY 0.000 0.000 . 0 "[ . 1]"
1 142 GLY 0.000 0.000 . 0 "[ . 1]"
1 143 GLY 0.000 0.000 . 0 "[ . 1]"
1 144 TRP 2.453 0.306 2 0 "[ . 1]"
1 145 LYS 0.000 0.000 . 0 "[ . 1]"
1 146 LEU 1.727 0.277 8 0 "[ . 1]"
1 147 GLU 2.471 0.389 8 0 "[ . 1]"
1 148 GLY 0.435 0.120 8 0 "[ . 1]"
1 149 GLU 1.669 0.411 8 0 "[ . 1]"
1 150 TRP 3.202 0.526 2 1 "[ + . 1]"
1 151 LYS 0.000 0.000 . 0 "[ . 1]"
1 152 GLU 0.209 0.061 7 0 "[ . 1]"
1 153 GLY 0.000 0.000 . 0 "[ . 1]"
1 154 GLU 0.111 0.075 10 0 "[ . 1]"
1 156 VAL 1.309 0.444 9 0 "[ . 1]"
1 157 GLN 0.427 0.143 5 0 "[ . 1]"
1 158 VAL 0.227 0.182 8 0 "[ . 1]"
1 159 LEU 0.663 0.303 4 0 "[ . 1]"
1 160 ALA 0.047 0.027 2 0 "[ . 1]"
1 161 LEU 0.618 0.260 8 0 "[ . 1]"
1 162 GLU 1.202 0.303 4 0 "[ . 1]"
1 164 GLY 0.000 0.000 . 0 "[ . 1]"
1 165 LYS 0.394 0.240 9 0 "[ . 1]"
1 166 ASN 0.793 0.240 9 0 "[ . 1]"
1 168 ARG 0.215 0.168 6 0 "[ . 1]"
1 169 ALA 0.431 0.182 8 0 "[ . 1]"
1 170 VAL 1.414 0.298 10 0 "[ . 1]"
1 171 GLN 0.760 0.269 10 0 "[ . 1]"
1 172 THR 0.118 0.104 7 0 "[ . 1]"
1 173 LYS 0.520 0.287 2 0 "[ . 1]"
1 175 GLY 0.120 0.120 10 0 "[ . 1]"
1 176 LEU 1.257 0.271 10 0 "[ . 1]"
1 177 PHE 0.378 0.117 2 0 "[ . 1]"
1 178 LYS 1.498 0.220 1 0 "[ . 1]"
1 179 THR 0.303 0.167 9 0 "[ . 1]"
1 181 ALA 0.507 0.112 2 0 "[ . 1]"
1 182 GLY 0.222 0.111 4 0 "[ . 1]"
1 183 THR 0.345 0.106 7 0 "[ . 1]"
1 184 ILE 2.525 0.429 6 0 "[ . 1]"
1 185 GLY 0.000 0.000 . 0 "[ . 1]"
1 186 ALA 0.540 0.179 6 0 "[ . 1]"
1 187 VAL 0.626 0.137 10 0 "[ . 1]"
1 188 SER 0.330 0.191 5 0 "[ . 1]"
1 189 LEU 1.823 0.458 9 0 "[ . 1]"
1 190 ASP 0.034 0.034 4 0 "[ . 1]"
1 191 PHE 0.435 0.162 9 0 "[ . 1]"
1 192 SER 0.435 0.162 9 0 "[ . 1]"
1 195 THR 0.000 0.000 . 0 "[ . 1]"
1 196 SER 0.000 0.000 . 0 "[ . 1]"
1 197 GLY 0.445 0.162 9 0 "[ . 1]"
1 198 SER 1.831 0.273 3 0 "[ . 1]"
1 200 ILE 1.934 0.245 8 0 "[ . 1]"
1 201 ILE 0.434 0.154 7 0 "[ . 1]"
1 202 ASP 0.004 0.004 6 0 "[ . 1]"
1 203 LYS 0.218 0.218 8 0 "[ . 1]"
1 204 LYS 0.000 0.000 . 0 "[ . 1]"
1 205 GLY 0.184 0.154 7 0 "[ . 1]"
1 206 LYS 0.287 0.283 8 0 "[ . 1]"
1 207 VAL 2.152 0.389 8 0 "[ . 1]"
1 208 VAL 2.849 0.526 2 1 "[ + . 1]"
1 209 GLY 0.935 0.411 8 0 "[ . 1]"
1 210 LEU 0.282 0.091 7 0 "[ . 1]"
1 211 TYR 0.220 0.162 9 0 "[ . 1]"
1 212 GLY 0.544 0.261 10 0 "[ . 1]"
1 213 ASN 0.000 0.000 . 0 "[ . 1]"
1 214 GLY 1.250 0.218 4 0 "[ . 1]"
1 215 VAL 1.009 0.238 4 0 "[ . 1]"
1 216 VAL 0.397 0.117 1 0 "[ . 1]"
1 217 THR 1.881 0.335 10 0 "[ . 1]"
1 219 SER 0.726 0.320 4 0 "[ . 1]"
1 220 GLY 1.561 0.335 10 0 "[ . 1]"
1 221 ALA 0.653 0.214 5 0 "[ . 1]"
1 222 TYR 0.093 0.059 8 0 "[ . 1]"
1 223 VAL 0.701 0.120 10 0 "[ . 1]"
1 224 SER 3.021 0.458 9 0 "[ . 1]"
1 225 ALA 0.728 0.261 10 0 "[ . 1]"
1 226 ILE 2.071 0.444 9 0 "[ . 1]"
1 227 ALA 0.000 0.000 . 0 "[ . 1]"
1 228 GLN 0.821 0.206 9 0 "[ . 1]"
1 229 THR 0.138 0.051 9 0 "[ . 1]"
1 230 GLU 0.057 0.040 9 0 "[ . 1]"
1 231 LYS 1.000 0.247 8 0 "[ . 1]"
1 232 SER 0.125 0.097 6 0 "[ . 1]"
1 233 ILE 0.490 0.228 8 0 "[ . 1]"
1 234 GLU 0.000 0.000 . 0 "[ . 1]"
1 235 ASP 0.490 0.228 8 0 "[ . 1]"
1 236 ASN 0.000 0.000 . 0 "[ . 1]"
1 238 GLU 0.000 0.000 . 0 "[ . 1]"
1 239 ILE 0.000 0.000 . 0 "[ . 1]"
1 240 GLU 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 ALA H 1 4 ALA H 5.000 . 6.500 3.443 1.763 4.564 0.037 6 0 "[ . 1]" 1
2 1 3 ALA H 1 5 ASP H 5.000 . 6.500 4.614 2.798 5.961 . 0 0 "[ . 1]" 1
3 1 3 ALA H 1 88 GLN QE 4.800 . 6.300 3.369 1.636 4.866 0.164 7 0 "[ . 1]" 1
4 1 3 ALA H 1 114 THR HG1 4.800 . 6.300 6.161 5.507 6.573 0.273 6 0 "[ . 1]" 1
5 1 4 ALA H 1 5 ASP H 2.900 . 4.450 2.156 1.565 3.012 0.235 6 0 "[ . 1]" 1
6 1 4 ALA H 1 6 LEU QD 4.800 . 6.300 3.396 2.269 5.046 . 0 0 "[ . 1]" 1
7 1 4 ALA H 1 88 GLN QE 4.800 . 6.300 3.659 2.605 4.486 . 0 0 "[ . 1]" 1
8 1 4 ALA H 1 118 VAL QG 4.800 . 6.300 4.121 3.388 5.159 . 0 0 "[ . 1]" 1
9 1 4 ALA H 1 120 MET QG 4.800 . 6.300 6.204 5.635 6.487 0.187 10 0 "[ . 1]" 1
10 1 4 ALA H 1 120 MET ME 4.800 . 6.250 4.882 3.795 5.605 . 0 0 "[ . 1]" 1
11 1 4 ALA MB 1 5 ASP H 4.800 . 6.300 3.547 3.060 3.716 . 0 0 "[ . 1]" 1
12 1 4 ALA MB 1 6 LEU QD 4.800 . 6.300 4.509 3.698 5.187 . 0 0 "[ . 1]" 1
13 1 4 ALA MB 1 118 VAL QG 4.800 . 6.300 3.063 2.589 4.406 . 0 0 "[ . 1]" 1
14 1 5 ASP H 1 6 LEU H 2.900 . 4.450 2.617 2.152 3.228 . 0 0 "[ . 1]" 1
15 1 5 ASP H 1 6 LEU QD 4.800 . 6.300 2.792 1.668 3.739 0.132 9 0 "[ . 1]" 1
16 1 5 ASP H 1 88 GLN QE 4.800 . 6.300 3.542 2.788 4.645 . 0 0 "[ . 1]" 1
17 1 5 ASP H 1 118 VAL QG 4.800 . 6.300 4.193 3.282 4.889 . 0 0 "[ . 1]" 1
18 1 5 ASP H 1 119 LEU QD 4.800 . 6.300 5.685 5.450 6.027 . 0 0 "[ . 1]" 1
19 1 5 ASP H 1 120 MET QG 4.800 . 5.450 4.544 4.185 5.021 . 0 0 "[ . 1]" 1
20 1 5 ASP H 1 120 MET ME 4.800 . 5.050 3.964 3.182 4.588 . 0 0 "[ . 1]" 1
21 1 6 LEU H 1 6 LEU QD 4.800 . 6.300 2.916 2.001 3.447 . 0 0 "[ . 1]" 1
22 1 6 LEU H 1 88 GLN QE 4.800 . 6.300 4.935 4.008 5.787 . 0 0 "[ . 1]" 1
23 1 6 LEU H 1 118 VAL QG 4.800 . 6.300 4.041 3.307 4.742 . 0 0 "[ . 1]" 1
24 1 6 LEU H 1 119 LEU QD 4.800 . 6.300 4.304 4.013 4.637 . 0 0 "[ . 1]" 1
25 1 6 LEU H 1 120 MET QB 5.000 . 6.500 4.304 3.943 4.728 . 0 0 "[ . 1]" 1
26 1 6 LEU H 1 120 MET QG 4.800 . 6.300 2.551 2.200 3.469 . 0 0 "[ . 1]" 1
27 1 6 LEU H 1 120 MET ME 4.800 . 5.050 3.345 2.416 4.196 . 0 0 "[ . 1]" 1
28 1 6 LEU QD 1 7 GLU H 4.800 . 6.300 4.201 3.910 4.632 . 0 0 "[ . 1]" 1
29 1 6 LEU QD 1 87 LYS H 4.800 . 6.300 5.594 5.228 6.005 . 0 0 "[ . 1]" 1
30 1 6 LEU QD 1 88 GLN H . . 4.450 4.770 4.549 5.365 0.915 4 2 "[ +. -1]" 1
31 1 6 LEU QD 1 88 GLN QE 4.800 . 5.050 2.502 1.853 3.824 . 0 0 "[ . 1]" 1
32 1 6 LEU QD 1 89 LYS H 4.800 . 6.300 4.467 3.787 4.761 . 0 0 "[ . 1]" 1
33 1 6 LEU QD 1 91 ILE MD 4.800 . 6.300 3.888 3.357 4.974 . 0 0 "[ . 1]" 1
34 1 6 LEU QD 1 97 ILE MD 4.800 . 6.300 4.883 3.934 5.547 . 0 0 "[ . 1]" 1
35 1 6 LEU QD 1 115 ARG H 4.800 . 6.300 4.656 3.846 5.561 . 0 0 "[ . 1]" 1
36 1 6 LEU QD 1 116 GLY H 4.800 . 6.300 4.659 4.130 5.518 . 0 0 "[ . 1]" 1
37 1 6 LEU QD 1 117 ALA H 4.800 . 6.300 3.312 2.609 4.156 . 0 0 "[ . 1]" 1
38 1 6 LEU QD 1 118 VAL H 4.800 . 6.300 2.861 2.370 3.245 . 0 0 "[ . 1]" 1
39 1 6 LEU QD 1 118 VAL QG 4.800 . 6.300 3.329 2.236 3.743 . 0 0 "[ . 1]" 1
40 1 6 LEU QD 1 119 LEU H 4.800 . 6.300 4.181 3.739 4.663 . 0 0 "[ . 1]" 1
41 1 6 LEU QD 1 119 LEU QD 4.800 . 6.300 2.198 1.839 2.776 . 0 0 "[ . 1]" 1
42 1 6 LEU QD 1 120 MET H 4.800 . 6.300 4.931 4.732 5.170 . 0 0 "[ . 1]" 1
43 1 6 LEU QD 1 120 MET ME 4.800 . 6.300 4.522 3.123 5.696 . 0 0 "[ . 1]" 1
44 1 7 GLU H 1 8 LEU QD 4.800 . 6.300 4.783 3.960 5.512 . 0 0 "[ . 1]" 1
45 1 7 GLU H 1 64 VAL QG 4.800 . 6.300 3.522 1.831 5.390 . 0 0 "[ . 1]" 1
46 1 7 GLU H 1 65 LEU QD 4.800 . 6.300 4.986 3.940 5.861 . 0 0 "[ . 1]" 1
47 1 7 GLU H 1 87 LYS H 3.600 . 4.250 3.881 3.584 4.258 0.008 5 0 "[ . 1]" 1
48 1 7 GLU H 1 119 LEU QD 4.800 . 6.300 4.788 4.293 5.415 . 0 0 "[ . 1]" 1
49 1 7 GLU H 1 120 MET QB 5.000 . 6.500 5.813 5.626 6.081 . 0 0 "[ . 1]" 1
50 1 7 GLU H 1 120 MET QG 4.800 . 6.300 3.839 3.578 4.201 . 0 0 "[ . 1]" 1
51 1 7 GLU H 1 120 MET ME 4.800 . 5.850 5.932 5.721 6.122 0.272 2 0 "[ . 1]" 1
52 1 8 LEU H 1 8 LEU QD 4.800 . 6.300 2.142 1.744 3.347 0.056 5 0 "[ . 1]" 1
53 1 8 LEU H 1 65 LEU QD 4.800 . 6.300 4.945 4.042 5.748 . 0 0 "[ . 1]" 1
54 1 8 LEU H 1 68 VAL QG 4.800 . 6.300 2.622 1.882 3.598 . 0 0 "[ . 1]" 1
55 1 8 LEU H 1 87 LYS H 5.000 . 6.500 5.176 5.024 5.312 . 0 0 "[ . 1]" 1
56 1 8 LEU H 1 119 LEU QD 4.800 . 6.300 4.508 3.770 5.273 . 0 0 "[ . 1]" 1
57 1 8 LEU H 1 120 MET QB 5.000 . 6.500 5.495 5.381 5.728 . 0 0 "[ . 1]" 1
58 1 8 LEU H 1 120 MET QG 4.800 . 6.300 4.687 4.197 5.030 . 0 0 "[ . 1]" 1
59 1 8 LEU H 1 121 HIS H 5.000 . 6.500 5.298 5.202 5.458 . 0 0 "[ . 1]" 1
60 1 8 LEU H 1 122 LYS H 5.000 . 6.500 4.931 4.194 6.135 . 0 0 "[ . 1]" 1
61 1 8 LEU H 1 126 ILE MD 4.800 . 6.300 5.045 4.313 5.572 . 0 0 "[ . 1]" 1
62 1 8 LEU QD 1 9 GLU H 4.800 . 6.300 4.047 3.296 4.529 . 0 0 "[ . 1]" 1
63 1 8 LEU QD 1 65 LEU QD 4.800 . 6.300 5.020 4.328 5.826 . 0 0 "[ . 1]" 1
64 1 8 LEU QD 1 67 ASP H 4.800 . 6.300 4.953 4.170 5.856 . 0 0 "[ . 1]" 1
65 1 8 LEU QD 1 68 VAL H 4.800 . 6.300 5.077 4.255 6.497 0.197 1 0 "[ . 1]" 1
66 1 8 LEU QD 1 68 VAL QG 4.800 . 6.300 2.058 1.670 2.983 0.130 10 0 "[ . 1]" 1
67 1 8 LEU QD 1 79 LEU QD 4.800 . 6.300 5.921 5.169 6.326 0.026 6 0 "[ . 1]" 1
68 1 8 LEU QD 1 84 TYR H 4.800 . 6.300 5.705 4.934 6.356 0.056 5 0 "[ . 1]" 1
69 1 8 LEU QD 1 85 ARG H 4.800 . 6.300 5.953 5.408 6.450 0.150 3 0 "[ . 1]" 1
70 1 8 LEU QD 1 86 ILE MD 4.800 . 6.300 4.432 3.178 5.844 . 0 0 "[ . 1]" 1
71 1 8 LEU QD 1 87 LYS H 4.800 . 6.300 5.053 4.657 5.454 . 0 0 "[ . 1]" 1
72 1 8 LEU QD 1 100 GLY H 4.800 . 6.300 5.500 4.521 6.502 0.202 10 0 "[ . 1]" 1
73 1 8 LEU QD 1 101 VAL H 4.800 . 6.300 5.528 4.656 6.437 0.137 4 0 "[ . 1]" 1
74 1 8 LEU QD 1 119 LEU H 4.800 . 6.300 5.203 4.922 5.689 . 0 0 "[ . 1]" 1
75 1 8 LEU QD 1 119 LEU QD 4.800 . 6.300 1.987 1.736 2.789 0.064 8 0 "[ . 1]" 1
76 1 8 LEU QD 1 126 ILE MD 4.800 . 6.300 2.568 1.791 3.298 0.009 5 0 "[ . 1]" 1
77 1 9 GLU H 1 10 ARG H 5.000 . 6.500 4.376 4.014 4.604 . 0 0 "[ . 1]" 1
78 1 9 GLU H 1 65 LEU QD 4.800 . 6.300 3.235 2.452 3.952 . 0 0 "[ . 1]" 1
79 1 9 GLU H 1 85 ARG H 3.600 . 4.050 3.812 3.136 4.124 0.074 1 0 "[ . 1]" 1
80 1 9 GLU H 1 87 LYS H 5.000 . 6.500 4.599 3.876 5.314 . 0 0 "[ . 1]" 1
81 1 10 ARG H 1 11 ALA H 5.000 . 6.500 4.578 4.474 4.638 . 0 0 "[ . 1]" 1
82 1 10 ARG H 1 85 ARG H 5.000 . 6.500 4.731 4.157 4.958 . 0 0 "[ . 1]" 1
83 1 11 ALA H 1 12 ALA H 2.300 . 3.750 2.092 1.787 2.353 . 0 0 "[ . 1]" 1
84 1 11 ALA H 1 83 ALA H . . 4.950 4.742 4.606 4.980 0.030 5 0 "[ . 1]" 1
85 1 11 ALA H 1 84 TYR H 5.000 . 6.500 4.481 4.317 4.670 . 0 0 "[ . 1]" 1
86 1 11 ALA H 1 161 LEU QD 4.800 . 6.300 4.033 3.589 4.383 . 0 0 "[ . 1]" 1
87 1 12 ALA H 1 13 ASP H 3.600 . 5.100 4.314 4.247 4.390 . 0 0 "[ . 1]" 1
88 1 12 ALA H 1 14 VAL H 5.000 . 6.500 6.357 6.207 6.504 0.004 9 0 "[ . 1]" 1
89 1 12 ALA H 1 14 VAL QG 4.800 . 6.300 5.662 5.514 6.027 . 0 0 "[ . 1]" 1
90 1 12 ALA H 1 83 ALA H 4.000 . 4.250 3.532 3.406 3.673 . 0 0 "[ . 1]" 1
91 1 12 ALA H 1 84 TYR H 5.000 . 6.500 5.078 4.846 5.224 . 0 0 "[ . 1]" 1
92 1 12 ALA H 1 85 ARG H 5.000 . 6.500 5.063 4.554 5.889 . 0 0 "[ . 1]" 1
93 1 12 ALA H 1 159 LEU QD 4.800 . 6.300 5.111 4.778 5.489 . 0 0 "[ . 1]" 1
94 1 12 ALA H 1 161 LEU QD 4.800 . 6.300 3.869 3.459 4.263 . 0 0 "[ . 1]" 1
95 1 13 ASP H 1 14 VAL H 5.000 . 6.500 4.597 4.514 4.656 . 0 0 "[ . 1]" 1
96 1 13 ASP H 1 14 VAL QG 4.800 . 6.300 5.295 5.110 5.419 . 0 0 "[ . 1]" 1
97 1 13 ASP H 1 15 LYS H 5.000 . 6.500 5.308 5.165 5.468 . 0 0 "[ . 1]" 1
98 1 13 ASP H 1 83 ALA H 3.600 . 4.850 4.039 3.811 4.287 . 0 0 "[ . 1]" 1
99 1 13 ASP H 1 159 LEU QD 4.800 . 6.300 4.173 3.911 4.382 . 0 0 "[ . 1]" 1
100 1 13 ASP H 1 161 LEU QD 4.800 . 6.300 5.587 4.600 6.029 . 0 0 "[ . 1]" 1
101 1 14 VAL H 1 15 LYS H 5.000 . 6.500 4.216 4.129 4.280 . 0 0 "[ . 1]" 1
102 1 14 VAL H 1 82 GLY H 5.000 . 6.500 4.681 4.326 5.140 . 0 0 "[ . 1]" 1
103 1 14 VAL H 1 83 ALA H 2.900 . 4.450 3.101 2.852 3.597 . 0 0 "[ . 1]" 1
104 1 14 VAL H 1 102 TYR H 5.000 . 6.500 5.848 5.230 6.241 . 0 0 "[ . 1]" 1
105 1 14 VAL H 1 159 LEU QD 4.800 . 6.300 4.413 3.774 5.020 . 0 0 "[ . 1]" 1
106 1 14 VAL H 1 201 ILE MD 4.800 . 6.300 5.088 4.828 5.697 . 0 0 "[ . 1]" 1
107 1 14 VAL QG 1 15 LYS H 4.800 . 6.300 3.369 3.250 3.683 . 0 0 "[ . 1]" 1
108 1 14 VAL QG 1 16 TRP H 4.800 . 6.300 5.582 5.038 5.862 . 0 0 "[ . 1]" 1
109 1 14 VAL QG 1 82 GLY H 4.800 . 6.300 3.558 3.263 3.991 . 0 0 "[ . 1]" 1
110 1 14 VAL QG 1 83 ALA H 4.800 . 6.300 2.968 2.790 3.339 . 0 0 "[ . 1]" 1
111 1 14 VAL QG 1 102 TYR H 4.800 . 6.300 3.362 2.758 3.676 . 0 0 "[ . 1]" 1
112 1 14 VAL QG 1 103 LYS H 4.800 . 6.300 4.672 4.022 5.233 . 0 0 "[ . 1]" 1
113 1 14 VAL QG 1 104 GLU H 4.800 . 6.300 5.668 5.126 6.365 0.065 5 0 "[ . 1]" 1
114 1 14 VAL QG 1 146 LEU QD 4.800 . 6.300 3.942 2.648 5.144 . 0 0 "[ . 1]" 1
115 1 14 VAL QG 1 159 LEU H 4.800 . 6.300 5.300 4.710 5.789 . 0 0 "[ . 1]" 1
116 1 14 VAL QG 1 159 LEU QD 4.800 . 6.300 2.968 2.079 3.600 . 0 0 "[ . 1]" 1
117 1 14 VAL QG 1 200 ILE H 4.800 . 6.300 5.096 4.643 5.583 . 0 0 "[ . 1]" 1
118 1 14 VAL QG 1 201 ILE MD 4.800 . 6.300 2.265 1.949 2.741 . 0 0 "[ . 1]" 1
119 1 14 VAL QG 1 207 VAL QG 4.800 . 6.300 4.508 2.116 5.965 . 0 0 "[ . 1]" 1
120 1 14 VAL QG 1 208 VAL H 4.800 . 6.300 5.432 4.662 6.191 . 0 0 "[ . 1]" 1
121 1 14 VAL QG 1 209 GLY H 4.800 . 6.300 5.658 5.320 6.277 . 0 0 "[ . 1]" 1
122 1 15 LYS H 1 16 TRP H 4.000 . 5.500 4.175 3.800 4.332 . 0 0 "[ . 1]" 1
123 1 15 LYS H 1 17 GLU H 5.000 . 6.500 5.374 5.052 5.925 . 0 0 "[ . 1]" 1
124 1 15 LYS H 1 83 ALA H 5.000 . 6.500 5.698 5.364 6.246 . 0 0 "[ . 1]" 1
125 1 15 LYS H 1 159 LEU QD 4.800 . 6.300 2.245 1.822 3.198 . 0 0 "[ . 1]" 1
126 1 15 LYS H 1 201 ILE MD . . 4.050 2.355 2.124 2.739 . 0 0 "[ . 1]" 1
127 1 16 TRP H 1 17 GLU H 5.000 . 6.500 4.360 4.015 4.583 . 0 0 "[ . 1]" 1
128 1 16 TRP H 1 159 LEU QD 4.800 . 6.300 4.492 3.844 4.885 . 0 0 "[ . 1]" 1
129 1 16 TRP H 1 201 ILE MD . . 4.050 3.269 2.689 4.076 0.026 3 0 "[ . 1]" 1
130 1 16 TRP HE1 1 17 GLU H 4.800 . 6.300 5.139 3.969 6.444 0.144 9 0 "[ . 1]" 1
131 1 16 TRP HE1 1 18 ASP H 4.800 . 6.300 5.946 5.100 6.552 0.252 10 0 "[ . 1]" 1
132 1 16 TRP HE1 1 19 GLN H 4.800 . 6.300 5.618 4.959 6.118 . 0 0 "[ . 1]" 1
133 1 16 TRP HE1 1 20 ALA H 4.800 . 5.250 4.533 3.948 5.335 0.085 2 0 "[ . 1]" 1
134 1 16 TRP HE1 1 21 GLU H 4.800 . 6.300 4.928 3.064 6.069 . 0 0 "[ . 1]" 1
135 1 16 TRP HE1 1 170 VAL QG 4.800 . 6.300 5.756 3.726 6.598 0.298 10 0 "[ . 1]" 1
136 1 17 GLU H 1 18 ASP H 3.600 . 5.100 4.000 2.681 4.610 . 0 0 "[ . 1]" 1
137 1 17 GLU H 1 19 GLN H 5.000 . 6.500 4.980 4.645 5.440 . 0 0 "[ . 1]" 1
138 1 17 GLU H 1 20 ALA H 5.000 . 6.500 6.103 4.726 6.655 0.155 7 0 "[ . 1]" 1
139 1 17 GLU H 1 159 LEU QD 4.800 . 6.300 3.095 2.417 4.211 . 0 0 "[ . 1]" 1
140 1 17 GLU H 1 201 ILE MD 4.800 . 4.850 4.674 4.078 4.920 0.070 2 0 "[ . 1]" 1
141 1 18 ASP H 1 19 GLN H 2.300 . 3.750 2.694 2.447 2.818 . 0 0 "[ . 1]" 1
142 1 18 ASP H 1 20 ALA H 5.000 . 6.500 4.680 3.327 5.464 . 0 0 "[ . 1]" 1
143 1 18 ASP H 1 159 LEU QD 4.800 . 6.300 5.328 3.382 6.224 . 0 0 "[ . 1]" 1
144 1 19 GLN H 1 19 GLN QE 4.800 . 6.300 4.329 3.075 5.408 . 0 0 "[ . 1]" 1
145 1 19 GLN H 1 20 ALA H 2.900 . 4.450 2.919 1.881 3.522 . 0 0 "[ . 1]" 1
146 1 19 GLN H 1 21 GLU H 5.000 . 6.500 5.826 3.551 6.622 0.122 10 0 "[ . 1]" 1
147 1 19 GLN QE 1 169 ALA H 4.800 . 6.300 5.341 4.293 6.420 0.120 8 0 "[ . 1]" 1
148 1 20 ALA H 1 21 GLU H 4.000 . 5.500 4.187 3.672 4.438 . 0 0 "[ . 1]" 1
149 1 20 ALA H 1 169 ALA H 5.000 . 6.500 5.132 3.401 6.116 . 0 0 "[ . 1]" 1
150 1 21 GLU H 1 22 ILE H 5.000 . 6.500 4.132 3.151 4.598 . 0 0 "[ . 1]" 1
151 1 21 GLU H 1 22 ILE MD 4.800 . 6.300 4.993 3.847 6.290 . 0 0 "[ . 1]" 1
152 1 21 GLU H 1 169 ALA H 5.000 . 6.500 5.145 4.080 6.583 0.083 7 0 "[ . 1]" 1
153 1 21 GLU H 1 170 VAL H 5.000 . 6.500 5.121 4.438 6.234 . 0 0 "[ . 1]" 1
154 1 21 GLU H 1 170 VAL QG 4.800 . 6.300 3.772 3.356 4.466 . 0 0 "[ . 1]" 1
155 1 21 GLU H 1 171 GLN H 3.600 . 4.450 3.644 2.901 4.556 0.106 10 0 "[ . 1]" 1
156 1 22 ILE H 1 22 ILE MD 4.800 . 6.300 3.263 1.847 4.506 . 0 0 "[ . 1]" 1
157 1 22 ILE H 1 23 SER H 5.000 . 6.500 4.296 4.068 4.509 . 0 0 "[ . 1]" 1
158 1 22 ILE H 1 170 VAL QG 4.800 . 6.300 4.195 1.909 4.832 . 0 0 "[ . 1]" 1
159 1 22 ILE H 1 171 GLN H . . 4.850 4.137 2.205 4.984 0.134 3 0 "[ . 1]" 1
160 1 22 ILE MD 1 23 SER H 4.800 . 6.300 4.308 2.468 5.494 . 0 0 "[ . 1]" 1
161 1 22 ILE MD 1 171 GLN H 4.800 . 6.300 4.262 3.318 5.438 . 0 0 "[ . 1]" 1
162 1 23 SER H 1 23 SER HG 4.800 . 6.300 3.347 2.588 3.677 . 0 0 "[ . 1]" 1
163 1 23 SER H 1 24 GLY H 2.900 . 4.450 2.770 1.697 4.316 0.103 3 0 "[ . 1]" 1
164 1 23 SER H 1 170 VAL QG 4.800 . 6.300 3.135 2.378 4.619 . 0 0 "[ . 1]" 1
165 1 23 SER H 1 171 GLN H 4.000 . 4.250 4.000 3.622 4.519 0.269 10 0 "[ . 1]" 1
166 1 23 SER H 1 172 THR H 5.000 . 6.500 5.649 4.538 6.604 0.104 7 0 "[ . 1]" 1
167 1 23 SER H 1 173 LYS H 5.000 . 6.500 5.809 4.498 6.680 0.180 10 0 "[ . 1]" 1
168 1 23 SER H 1 189 LEU QD 4.800 . 6.300 4.161 3.362 5.080 . 0 0 "[ . 1]" 1
169 1 23 SER HG 1 24 GLY H 4.800 . 6.300 4.490 3.312 5.131 . 0 0 "[ . 1]" 1
170 1 23 SER HG 1 171 GLN H 4.800 . 6.300 5.918 5.135 6.347 0.047 10 0 "[ . 1]" 1
171 1 23 SER HG 1 189 LEU QD 4.800 . 6.300 4.775 2.250 6.375 0.075 5 0 "[ . 1]" 1
172 1 24 GLY H 1 25 SER H 4.000 . 5.500 4.172 3.456 4.502 . 0 0 "[ . 1]" 1
173 1 24 GLY H 1 170 VAL QG 4.800 . 6.300 3.665 2.497 5.383 . 0 0 "[ . 1]" 1
174 1 24 GLY H 1 173 LYS H 5.000 . 6.500 5.001 3.212 6.374 . 0 0 "[ . 1]" 1
175 1 24 GLY H 1 189 LEU QD 4.800 . 6.300 3.299 2.439 4.307 . 0 0 "[ . 1]" 1
176 1 25 SER H 1 26 SER H 2.300 . 3.750 2.696 1.926 3.309 . 0 0 "[ . 1]" 1
177 1 25 SER H 1 173 LYS H 5.000 . 6.500 3.999 2.798 5.790 . 0 0 "[ . 1]" 1
178 1 25 SER H 1 187 VAL QG 4.800 . 6.300 4.922 3.855 5.934 . 0 0 "[ . 1]" 1
179 1 25 SER H 1 188 SER H 5.000 . 5.250 4.932 3.880 5.441 0.191 5 0 "[ . 1]" 1
180 1 25 SER H 1 189 LEU H 5.000 . 6.500 5.353 4.261 6.079 . 0 0 "[ . 1]" 1
181 1 25 SER H 1 189 LEU QD 4.800 . 6.300 3.952 1.896 4.654 . 0 0 "[ . 1]" 1
182 1 25 SER H 1 190 ASP H 5.000 . 6.500 4.225 3.445 5.468 . 0 0 "[ . 1]" 1
183 1 25 SER H 1 223 VAL QG 4.800 . 6.300 6.023 5.431 6.365 0.065 5 0 "[ . 1]" 1
184 1 26 SER H 1 29 LEU QD 4.800 . 6.300 5.359 3.464 6.283 . 0 0 "[ . 1]" 1
185 1 26 SER H 1 189 LEU H 5.000 . 6.500 4.977 4.362 6.227 . 0 0 "[ . 1]" 1
186 1 26 SER H 1 190 ASP H 5.000 . 6.500 4.545 3.748 5.917 . 0 0 "[ . 1]" 1
187 1 28 ILE H 1 28 ILE MD 4.800 . 6.300 3.307 2.971 4.389 . 0 0 "[ . 1]" 1
188 1 28 ILE H 1 29 LEU H 5.000 . 6.500 4.448 4.274 4.582 . 0 0 "[ . 1]" 1
189 1 28 ILE H 1 29 LEU QD 4.800 . 6.300 5.489 3.520 6.123 . 0 0 "[ . 1]" 1
190 1 28 ILE H 1 176 LEU H 5.000 . 6.500 5.706 4.854 6.319 . 0 0 "[ . 1]" 1
191 1 28 ILE H 1 176 LEU QD 4.800 . 6.300 5.074 4.244 5.478 . 0 0 "[ . 1]" 1
192 1 28 ILE MD 1 29 LEU H 4.800 . 6.300 3.718 1.924 4.042 . 0 0 "[ . 1]" 1
193 1 28 ILE MD 1 176 LEU H 4.800 . 6.300 3.595 2.681 4.434 . 0 0 "[ . 1]" 1
194 1 28 ILE MD 1 176 LEU QD 4.800 . 6.300 2.323 2.104 2.889 . 0 0 "[ . 1]" 1
195 1 28 ILE MD 1 177 PHE H 4.800 . 6.300 4.948 4.010 5.293 . 0 0 "[ . 1]" 1
196 1 29 LEU H 1 29 LEU QD 4.800 . 6.300 3.680 2.556 4.049 . 0 0 "[ . 1]" 1
197 1 29 LEU H 1 30 SER H 5.000 . 6.500 4.497 4.112 4.634 . 0 0 "[ . 1]" 1
198 1 29 LEU H 1 31 ILE MD 4.800 . 6.300 5.621 5.311 6.461 0.161 4 0 "[ . 1]" 1
199 1 29 LEU H 1 176 LEU H . . 4.450 4.512 3.991 4.721 0.271 10 0 "[ . 1]" 1
200 1 29 LEU H 1 176 LEU QD 4.800 . 6.300 4.928 4.020 5.368 . 0 0 "[ . 1]" 1
201 1 29 LEU H 1 177 PHE H 3.600 . 5.100 4.814 4.525 5.217 0.117 2 0 "[ . 1]" 1
202 1 29 LEU H 1 178 LYS H 3.600 . 4.250 3.572 3.211 4.136 . 0 0 "[ . 1]" 1
203 1 29 LEU H 1 223 VAL QG 4.800 . 6.300 4.979 4.247 5.537 . 0 0 "[ . 1]" 1
204 1 29 LEU QD 1 30 SER H 4.800 . 6.300 2.615 2.149 3.796 . 0 0 "[ . 1]" 1
205 1 29 LEU QD 1 31 ILE H 4.800 . 6.300 4.897 3.902 5.662 . 0 0 "[ . 1]" 1
206 1 29 LEU QD 1 31 ILE MD 4.800 . 6.300 2.846 2.165 3.862 . 0 0 "[ . 1]" 1
207 1 29 LEU QD 1 39 MET ME 4.800 . 6.300 5.106 4.233 5.838 . 0 0 "[ . 1]" 1
208 1 29 LEU QD 1 41 ILE MD 4.800 . 6.300 3.509 2.685 4.233 . 0 0 "[ . 1]" 1
209 1 29 LEU QD 1 176 LEU H 4.800 . 6.300 5.549 4.028 6.320 0.020 10 0 "[ . 1]" 1
210 1 29 LEU QD 1 177 PHE H 4.800 . 6.300 5.815 5.227 6.199 . 0 0 "[ . 1]" 1
211 1 29 LEU QD 1 178 LYS H 4.800 . 6.300 5.309 4.970 5.773 . 0 0 "[ . 1]" 1
212 1 29 LEU QD 1 215 VAL QG 4.800 . 6.300 4.544 3.642 5.026 . 0 0 "[ . 1]" 1
213 1 29 LEU QD 1 217 THR H 4.800 . 6.300 4.513 4.308 4.772 . 0 0 "[ . 1]" 1
214 1 29 LEU QD 1 219 SER H 4.800 . 6.300 5.917 4.412 6.411 0.111 5 0 "[ . 1]" 1
215 1 29 LEU QD 1 221 ALA H 4.800 . 6.300 5.234 4.477 6.117 . 0 0 "[ . 1]" 1
216 1 29 LEU QD 1 223 VAL H 4.800 . 6.300 4.969 4.574 5.266 . 0 0 "[ . 1]" 1
217 1 29 LEU QD 1 223 VAL QG 4.800 . 6.300 1.847 1.704 2.187 0.096 9 0 "[ . 1]" 1
218 1 30 SER H 1 31 ILE H 5.000 . 6.500 4.338 4.191 4.494 . 0 0 "[ . 1]" 1
219 1 30 SER H 1 31 ILE MD 4.800 . 6.300 5.513 5.003 6.117 . 0 0 "[ . 1]" 1
220 1 30 SER H 1 41 ILE MD 4.800 . 6.300 5.435 4.608 6.457 0.157 9 0 "[ . 1]" 1
221 1 30 SER H 1 178 LYS H . . 4.850 4.913 4.731 4.997 0.147 10 0 "[ . 1]" 1
222 1 31 ILE H 1 31 ILE MD 4.800 . 6.300 4.198 3.906 4.432 . 0 0 "[ . 1]" 1
223 1 31 ILE H 1 32 THR H 5.000 . 6.500 4.519 4.471 4.575 . 0 0 "[ . 1]" 1
224 1 31 ILE H 1 33 ILE H 5.000 . 6.500 5.735 5.424 6.018 . 0 0 "[ . 1]" 1
225 1 31 ILE H 1 33 ILE MD 4.800 . 6.300 4.984 3.535 6.448 0.148 10 0 "[ . 1]" 1
226 1 31 ILE H 1 39 MET ME 4.800 . 6.300 5.473 4.728 6.256 . 0 0 "[ . 1]" 1
227 1 31 ILE H 1 41 ILE MD 4.800 . 6.300 5.196 4.595 5.633 . 0 0 "[ . 1]" 1
228 1 31 ILE H 1 178 LYS H 3.600 . 4.650 4.320 3.661 4.759 0.109 7 0 "[ . 1]" 1
229 1 31 ILE H 1 179 THR H 5.000 . 6.500 5.684 4.724 6.667 0.167 9 0 "[ . 1]" 1
230 1 31 ILE H 1 184 ILE MD 4.800 . 6.300 5.416 4.627 6.074 . 0 0 "[ . 1]" 1
231 1 31 ILE MD 1 32 THR H 4.800 . 6.300 4.560 2.715 4.859 . 0 0 "[ . 1]" 1
232 1 31 ILE MD 1 33 ILE MD 4.800 . 6.300 4.791 4.076 5.553 . 0 0 "[ . 1]" 1
233 1 31 ILE MD 1 39 MET ME . . 4.050 2.122 1.975 2.259 . 0 0 "[ . 1]" 1
234 1 31 ILE MD 1 40 SER H 4.800 . 6.300 4.916 3.375 5.361 . 0 0 "[ . 1]" 1
235 1 31 ILE MD 1 41 ILE H 4.800 . 6.300 5.255 3.782 6.297 . 0 0 "[ . 1]" 1
236 1 31 ILE MD 1 41 ILE MD 4.800 . 6.300 3.594 1.971 5.266 . 0 0 "[ . 1]" 1
237 1 31 ILE MD 1 177 PHE H 4.800 . 6.300 5.149 4.212 6.011 . 0 0 "[ . 1]" 1
238 1 31 ILE MD 1 178 LYS H 4.800 . 6.300 5.685 5.424 5.965 . 0 0 "[ . 1]" 1
239 1 31 ILE MD 1 184 ILE MD . . 4.250 4.284 3.452 4.679 0.429 6 0 "[ . 1]" 1
240 1 31 ILE MD 1 215 VAL H 4.800 . 6.300 4.366 3.322 4.981 . 0 0 "[ . 1]" 1
241 1 31 ILE MD 1 215 VAL QG 4.800 . 6.300 2.792 1.828 3.295 . 0 0 "[ . 1]" 1
242 1 31 ILE MD 1 223 VAL H 4.800 . 6.300 5.036 4.246 5.733 . 0 0 "[ . 1]" 1
243 1 31 ILE MD 1 223 VAL QG 4.800 . 6.300 2.210 1.769 3.384 0.031 10 0 "[ . 1]" 1
244 1 31 ILE MD 1 224 SER H 4.800 . 6.300 5.244 4.446 6.027 . 0 0 "[ . 1]" 1
245 1 31 ILE MD 1 225 ALA H 4.800 . 6.300 5.823 4.513 6.331 0.031 6 0 "[ . 1]" 1
246 1 32 THR H 1 33 ILE H 5.000 . 6.500 4.303 4.181 4.454 . 0 0 "[ . 1]" 1
247 1 32 THR H 1 39 MET ME 4.800 . 6.300 5.000 4.538 5.399 . 0 0 "[ . 1]" 1
248 1 32 THR H 1 40 SER H 2.900 . 4.050 3.609 3.433 3.859 . 0 0 "[ . 1]" 1
249 1 32 THR H 1 41 ILE MD 4.800 . 6.300 3.378 2.824 3.740 . 0 0 "[ . 1]" 1
250 1 32 THR H 1 42 LYS H 5.000 . 6.500 4.355 3.694 5.276 . 0 0 "[ . 1]" 1
251 1 32 THR H 1 215 VAL QG 4.800 . 6.300 4.634 4.067 5.308 . 0 0 "[ . 1]" 1
252 1 33 ILE H 1 33 ILE MD 4.800 . 6.300 3.103 2.176 4.125 . 0 0 "[ . 1]" 1
253 1 33 ILE H 1 34 SER H 5.000 . 6.500 4.530 4.382 4.645 . 0 0 "[ . 1]" 1
254 1 33 ILE H 1 39 MET ME 4.800 . 6.300 6.162 5.154 6.417 0.117 1 0 "[ . 1]" 1
255 1 33 ILE H 1 40 SER H 5.000 . 6.500 4.892 4.785 5.115 . 0 0 "[ . 1]" 1
256 1 33 ILE H 1 184 ILE MD 4.800 . 6.300 5.816 5.172 6.324 0.024 9 0 "[ . 1]" 1
257 1 33 ILE MD 1 34 SER H 4.800 . 6.300 3.851 2.648 4.712 . 0 0 "[ . 1]" 1
258 1 33 ILE MD 1 39 MET H 4.800 . 6.300 5.195 4.288 6.335 0.035 8 0 "[ . 1]" 1
259 1 33 ILE MD 1 39 MET ME . . 4.050 3.758 2.991 4.272 0.222 4 0 "[ . 1]" 1
260 1 33 ILE MD 1 40 SER H 4.800 . 6.300 4.178 3.724 4.720 . 0 0 "[ . 1]" 1
261 1 33 ILE MD 1 179 THR H 4.800 . 6.300 5.285 4.535 6.313 0.013 5 0 "[ . 1]" 1
262 1 33 ILE MD 1 179 THR HG1 4.800 . 6.300 3.305 2.397 4.848 . 0 0 "[ . 1]" 1
263 1 33 ILE MD 1 181 ALA H 4.800 . 6.300 5.517 5.049 6.367 0.067 9 0 "[ . 1]" 1
264 1 33 ILE MD 1 182 GLY H 4.800 . 6.300 5.503 4.349 6.411 0.111 1 0 "[ . 1]" 1
265 1 33 ILE MD 1 184 ILE H 4.800 . 6.300 5.514 4.900 6.315 0.015 5 0 "[ . 1]" 1
266 1 33 ILE MD 1 184 ILE MD 4.800 . 6.300 2.404 1.934 2.993 . 0 0 "[ . 1]" 1
267 1 34 SER H 1 36 ASP H 5.000 . 6.500 4.186 3.285 5.312 . 0 0 "[ . 1]" 1
268 1 34 SER H 1 37 GLY H 5.000 . 6.500 5.139 4.131 6.181 . 0 0 "[ . 1]" 1
269 1 34 SER H 1 38 SER H 4.000 . 4.050 3.912 3.717 4.153 0.103 7 0 "[ . 1]" 1
270 1 34 SER H 1 40 SER H 5.000 . 6.500 4.200 3.550 4.882 . 0 0 "[ . 1]" 1
271 1 34 SER H 1 40 SER HG 4.800 . 6.300 4.676 3.739 5.696 . 0 0 "[ . 1]" 1
272 1 34 SER HG 1 35 GLU H 4.800 . 6.300 4.421 2.922 5.426 . 0 0 "[ . 1]" 1
273 1 35 GLU H 1 36 ASP H 3.600 . 5.100 2.983 2.652 4.129 . 0 0 "[ . 1]" 1
274 1 35 GLU H 1 37 GLY H 5.000 . 6.500 5.204 4.430 6.208 . 0 0 "[ . 1]" 1
275 1 35 GLU H 1 38 SER H 5.000 . 6.500 5.155 4.984 5.381 . 0 0 "[ . 1]" 1
276 1 36 ASP H 1 37 GLY H 2.900 . 4.450 3.092 2.172 3.920 . 0 0 "[ . 1]" 1
277 1 36 ASP H 1 38 SER H 3.600 . 5.100 3.687 2.519 4.505 . 0 0 "[ . 1]" 1
278 1 37 GLY H 1 38 SER H 2.300 . 3.750 2.361 1.714 2.818 . 0 0 "[ . 1]" 1
279 1 38 SER H 1 39 MET H 5.000 . 6.500 4.548 4.507 4.602 . 0 0 "[ . 1]" 1
280 1 39 MET H 1 39 MET ME 4.800 . 6.300 4.728 4.285 5.108 . 0 0 "[ . 1]" 1
281 1 39 MET H 1 40 SER H 5.000 . 6.500 4.306 4.120 4.452 . 0 0 "[ . 1]" 1
282 1 39 MET H 1 215 VAL QG 4.800 . 6.300 5.658 4.630 6.303 0.003 4 0 "[ . 1]" 1
283 1 39 MET ME 1 40 SER H 4.800 . 6.300 3.870 3.161 4.591 . 0 0 "[ . 1]" 1
284 1 39 MET ME 1 40 SER HG 4.800 . 6.300 5.908 5.103 6.366 0.066 10 0 "[ . 1]" 1
285 1 39 MET ME 1 41 ILE H 4.800 . 6.300 5.555 4.815 6.433 0.133 9 0 "[ . 1]" 1
286 1 39 MET ME 1 177 PHE H 4.800 . 6.300 5.901 4.411 6.403 0.103 5 0 "[ . 1]" 1
287 1 39 MET ME 1 184 ILE MD . . 4.050 3.364 2.312 4.089 0.039 3 0 "[ . 1]" 1
288 1 39 MET ME 1 214 GLY H 4.800 . 6.300 4.944 3.575 5.571 . 0 0 "[ . 1]" 1
289 1 39 MET ME 1 215 VAL H 4.800 . 6.300 3.977 3.217 4.864 . 0 0 "[ . 1]" 1
290 1 39 MET ME 1 215 VAL QG 4.800 . 6.300 3.102 2.470 3.949 . 0 0 "[ . 1]" 1
291 1 39 MET ME 1 217 THR HG1 4.800 . 6.300 6.021 4.140 6.505 0.205 4 0 "[ . 1]" 1
292 1 39 MET ME 1 223 VAL QG 4.800 . 6.300 3.519 3.091 4.093 . 0 0 "[ . 1]" 1
293 1 39 MET ME 1 224 SER H 4.800 . 6.300 5.390 4.730 6.333 0.033 10 0 "[ . 1]" 1
294 1 39 MET ME 1 225 ALA H 4.800 . 5.050 4.244 3.523 5.161 0.111 10 0 "[ . 1]" 1
295 1 40 SER H 1 41 ILE H 5.000 . 6.500 4.356 4.274 4.403 . 0 0 "[ . 1]" 1
296 1 40 SER H 1 41 ILE MD 4.800 . 6.300 5.221 4.341 6.007 . 0 0 "[ . 1]" 1
297 1 40 SER H 1 42 LYS H 5.000 . 6.500 6.207 4.830 6.572 0.072 6 0 "[ . 1]" 1
298 1 40 SER H 1 215 VAL QG 4.800 . 6.300 4.094 3.810 4.516 . 0 0 "[ . 1]" 1
299 1 41 ILE H 1 41 ILE MD 4.800 . 6.300 3.495 2.344 4.377 . 0 0 "[ . 1]" 1
300 1 41 ILE H 1 42 LYS H 5.000 . 6.500 4.504 4.047 4.635 . 0 0 "[ . 1]" 1
301 1 41 ILE H 1 215 VAL QG 4.800 . 6.300 1.904 1.562 2.771 0.238 4 0 "[ . 1]" 1
302 1 41 ILE H 1 216 VAL H 5.000 . 6.500 5.574 4.912 6.124 . 0 0 "[ . 1]" 1
303 1 41 ILE MD 1 42 LYS H 4.800 . 6.300 3.482 1.897 4.875 . 0 0 "[ . 1]" 1
304 1 41 ILE MD 1 215 VAL QG 4.800 . 6.300 2.896 2.011 3.711 . 0 0 "[ . 1]" 1
305 1 41 ILE MD 1 216 VAL H 4.800 . 6.300 5.950 5.213 6.417 0.117 1 0 "[ . 1]" 1
306 1 41 ILE MD 1 216 VAL QG 4.800 . 6.300 5.105 4.678 5.580 . 0 0 "[ . 1]" 1
307 1 41 ILE MD 1 217 THR H 4.800 . 5.050 4.487 3.741 5.077 0.027 9 0 "[ . 1]" 1
308 1 41 ILE MD 1 219 SER H 4.800 . 6.300 5.281 4.056 6.620 0.320 4 0 "[ . 1]" 1
309 1 41 ILE MD 1 220 GLY H 4.800 . 6.300 6.114 5.636 6.494 0.194 2 0 "[ . 1]" 1
310 1 41 ILE MD 1 221 ALA H 4.800 . 6.300 6.259 5.864 6.514 0.214 5 0 "[ . 1]" 1
311 1 41 ILE MD 1 223 VAL QG 4.800 . 6.300 4.480 3.735 5.072 . 0 0 "[ . 1]" 1
312 1 46 GLU H 1 47 GLU H 5.000 . 6.500 4.082 2.486 4.583 . 0 0 "[ . 1]" 1
313 1 47 GLU H 1 48 GLN H 4.000 . 5.500 3.764 2.314 4.598 . 0 0 "[ . 1]" 1
314 1 48 GLN H 1 49 THR H 5.000 . 6.500 4.137 2.922 4.663 . 0 0 "[ . 1]" 1
315 1 49 THR H 1 50 LEU H 3.600 . 5.100 3.910 2.539 4.596 . 0 0 "[ . 1]" 1
316 1 49 THR H 1 50 LEU QD 4.800 . 6.300 5.143 4.049 6.396 0.096 5 0 "[ . 1]" 1
317 1 49 THR H 1 51 GLY H 5.000 . 6.500 6.211 5.399 6.743 0.243 8 0 "[ . 1]" 1
318 1 50 LEU H 1 50 LEU QD 4.800 . 6.300 3.244 1.763 4.137 0.037 2 0 "[ . 1]" 1
319 1 50 LEU H 1 51 GLY H 2.300 . 3.750 2.913 1.734 4.026 0.276 7 0 "[ . 1]" 1
320 1 50 LEU QD 1 51 GLY H 4.800 . 6.300 3.284 1.945 4.385 . 0 0 "[ . 1]" 1
321 1 50 LEU QD 1 85 ARG H 4.800 . 6.300 4.688 4.084 6.331 0.031 1 0 "[ . 1]" 1
322 1 50 LEU QD 1 86 ILE H 4.800 . 6.300 3.231 2.403 4.527 . 0 0 "[ . 1]" 1
323 1 50 LEU QD 1 97 ILE H 4.800 . 6.300 3.847 2.700 5.078 . 0 0 "[ . 1]" 1
324 1 50 LEU QD 1 98 GLY H 4.800 . 6.300 3.413 2.787 4.915 . 0 0 "[ . 1]" 1
325 1 50 LEU QD 1 164 GLY H 4.800 . 6.300 4.430 2.684 6.101 . 0 0 "[ . 1]" 1
326 1 51 GLY H 1 161 LEU QD 4.800 . 6.300 6.177 5.280 6.560 0.260 8 0 "[ . 1]" 1
327 1 55 SER H 1 56 GLY H 3.600 . 5.100 3.567 2.288 4.606 . 0 0 "[ . 1]" 1
328 1 60 GLU H 1 61 PHE H 2.300 . 3.750 2.650 2.135 3.492 . 0 0 "[ . 1]" 1
329 1 61 PHE H 1 62 ALA H 2.900 . 4.450 2.719 2.216 3.430 . 0 0 "[ . 1]" 1
330 1 61 PHE H 1 63 GLY H 5.000 . 6.500 4.706 3.988 5.722 . 0 0 "[ . 1]" 1
331 1 62 ALA H 1 63 GLY H 2.900 . 4.450 2.808 1.908 3.740 . 0 0 "[ . 1]" 1
332 1 63 GLY H 1 64 VAL H 4.000 . 5.500 4.036 2.931 4.621 . 0 0 "[ . 1]" 1
333 1 63 GLY H 1 64 VAL QG 4.800 . 6.300 4.663 3.799 5.242 . 0 0 "[ . 1]" 1
334 1 64 VAL H 1 65 LEU H 3.600 . 5.100 3.223 2.264 4.549 . 0 0 "[ . 1]" 1
335 1 64 VAL H 1 65 LEU QD 4.800 . 6.300 5.076 4.100 5.937 . 0 0 "[ . 1]" 1
336 1 64 VAL H 1 66 TRP H 5.000 . 6.500 6.374 5.896 6.940 0.440 6 0 "[ . 1]" 1
337 1 64 VAL H 1 66 TRP HE1 4.800 . 6.300 6.163 3.452 6.699 0.399 5 0 "[ . 1]" 1
338 1 64 VAL QG 1 65 LEU H 4.800 . 6.300 2.935 1.819 3.870 . 0 0 "[ . 1]" 1
339 1 64 VAL QG 1 65 LEU QD 4.800 . 6.300 3.351 2.232 4.276 . 0 0 "[ . 1]" 1
340 1 64 VAL QG 1 66 TRP H 4.800 . 6.300 5.566 4.900 6.148 . 0 0 "[ . 1]" 1
341 1 64 VAL QG 1 95 SER H 4.800 . 6.300 5.409 4.459 6.440 0.140 10 0 "[ . 1]" 1
342 1 65 LEU H 1 65 LEU QD 4.800 . 6.300 3.142 2.483 3.883 . 0 0 "[ . 1]" 1
343 1 65 LEU H 1 66 TRP H 4.000 . 5.500 4.223 3.201 4.660 . 0 0 "[ . 1]" 1
344 1 65 LEU QD 1 66 TRP H 4.800 . 6.300 3.623 3.183 4.064 . 0 0 "[ . 1]" 1
345 1 65 LEU QD 1 67 ASP H 4.800 . 6.300 5.114 4.670 5.690 . 0 0 "[ . 1]" 1
346 1 65 LEU QD 1 85 ARG H 4.800 . 6.300 4.676 4.337 5.449 . 0 0 "[ . 1]" 1
347 1 65 LEU QD 1 87 LYS H 4.800 . 6.300 2.726 1.922 4.176 . 0 0 "[ . 1]" 1
348 1 65 LEU QD 1 96 GLN H 4.800 . 6.300 4.682 3.753 5.436 . 0 0 "[ . 1]" 1
349 1 66 TRP H 1 66 TRP HE1 4.800 . 6.300 5.697 4.456 6.734 0.434 8 0 "[ . 1]" 1
350 1 66 TRP H 1 67 ASP H 5.000 . 6.500 3.727 2.904 4.423 . 0 0 "[ . 1]" 1
351 1 66 TRP H 1 68 VAL QG 4.800 . 6.300 5.072 4.123 5.922 . 0 0 "[ . 1]" 1
352 1 66 TRP HE1 1 67 ASP H 4.800 . 6.300 6.560 6.144 6.804 0.504 3 1 "[ + . 1]" 1
353 1 66 TRP HE1 1 68 VAL QG 4.800 . 6.300 5.844 4.149 6.738 0.438 7 0 "[ . 1]" 1
354 1 67 ASP H 1 68 VAL H 3.600 . 5.100 3.203 2.487 3.803 . 0 0 "[ . 1]" 1
355 1 67 ASP H 1 68 VAL QG 4.800 . 6.300 2.506 1.980 3.073 . 0 0 "[ . 1]" 1
356 1 68 VAL QG 1 70 SER H 4.800 . 6.300 3.929 2.807 5.070 . 0 0 "[ . 1]" 1
357 1 68 VAL QG 1 79 LEU QD 4.800 . 6.300 5.359 4.738 6.221 . 0 0 "[ . 1]" 1
358 1 68 VAL QG 1 120 MET HA 4.800 . 6.300 3.864 2.686 5.641 . 0 0 "[ . 1]" 1
359 1 68 VAL QG 1 126 ILE MD 4.800 . 6.300 2.388 1.837 4.392 . 0 0 "[ . 1]" 1
360 1 74 VAL H 1 75 GLY H 2.900 . 4.450 2.910 2.059 4.406 . 0 0 "[ . 1]" 1
361 1 74 VAL QG 1 75 GLY H 4.800 . 6.300 2.822 2.070 3.692 . 0 0 "[ . 1]" 1
362 1 75 GLY H 1 76 LYS H 2.900 . 4.450 3.089 2.340 3.926 . 0 0 "[ . 1]" 1
363 1 76 LYS H 1 77 ALA H 2.900 . 4.450 3.324 2.221 4.483 0.033 3 0 "[ . 1]" 1
364 1 79 LEU QD 1 81 ASP H 4.800 . 6.300 4.430 2.423 6.483 0.183 2 0 "[ . 1]" 1
365 1 79 LEU QD 1 106 THR H 4.800 . 6.300 5.931 4.696 6.464 0.164 1 0 "[ . 1]" 1
366 1 79 LEU QD 1 126 ILE MD 4.800 . 6.300 5.915 5.327 6.433 0.133 6 0 "[ . 1]" 1
367 1 81 ASP H 1 82 GLY H 4.000 . 5.500 3.850 3.437 4.582 . 0 0 "[ . 1]" 1
368 1 82 GLY H 1 83 ALA H 5.000 . 6.500 4.387 4.260 4.474 . 0 0 "[ . 1]" 1
369 1 82 GLY H 1 102 TYR H 3.600 . 4.250 3.131 2.741 3.394 . 0 0 "[ . 1]" 1
370 1 82 GLY H 1 103 LYS H 5.000 . 6.500 5.077 4.836 5.208 . 0 0 "[ . 1]" 1
371 1 82 GLY H 1 104 GLU H 5.000 . 6.500 5.848 5.398 6.513 0.013 9 0 "[ . 1]" 1
372 1 83 ALA H 1 84 TYR H 5.000 . 6.500 4.418 4.286 4.624 . 0 0 "[ . 1]" 1
373 1 83 ALA H 1 102 TYR H 5.000 . 6.500 5.152 5.016 5.288 . 0 0 "[ . 1]" 1
374 1 83 ALA H 1 159 LEU QD 4.800 . 6.300 4.218 3.859 4.742 . 0 0 "[ . 1]" 1
375 1 83 ALA H 1 161 LEU QD 4.800 . 6.300 4.813 4.359 5.198 . 0 0 "[ . 1]" 1
376 1 84 TYR H 1 85 ARG H 5.000 . 6.500 4.486 4.384 4.565 . 0 0 "[ . 1]" 1
377 1 84 TYR H 1 86 ILE MD 4.800 . 6.300 5.556 5.134 6.134 . 0 0 "[ . 1]" 1
378 1 84 TYR H 1 100 GLY H 3.600 . 4.050 3.033 2.380 3.974 . 0 0 "[ . 1]" 1
379 1 84 TYR H 1 101 VAL H 5.000 . 6.500 4.709 4.197 5.078 . 0 0 "[ . 1]" 1
380 1 84 TYR H 1 101 VAL QG 4.800 . 6.300 3.860 3.193 4.608 . 0 0 "[ . 1]" 1
381 1 84 TYR H 1 102 TYR H 5.000 . 6.500 4.315 3.162 5.476 . 0 0 "[ . 1]" 1
382 1 84 TYR H 1 161 LEU QD 4.800 . 6.300 3.775 3.291 4.274 . 0 0 "[ . 1]" 1
383 1 85 ARG H 1 100 GLY H 5.000 . 6.500 4.683 3.718 5.081 . 0 0 "[ . 1]" 1
384 1 85 ARG H 1 161 LEU QD 4.800 . 6.300 3.729 3.131 4.471 . 0 0 "[ . 1]" 1
385 1 86 ILE H 1 86 ILE MD 4.800 . 6.300 3.915 3.719 4.560 . 0 0 "[ . 1]" 1
386 1 86 ILE H 1 97 ILE H 5.000 . 6.500 4.045 3.631 4.453 . 0 0 "[ . 1]" 1
387 1 86 ILE H 1 97 ILE MD 4.800 . 6.300 4.925 3.930 6.511 0.211 1 0 "[ . 1]" 1
388 1 86 ILE H 1 98 GLY H 3.600 . 4.650 2.908 2.436 3.310 . 0 0 "[ . 1]" 1
389 1 86 ILE H 1 99 ALA H 5.000 . 6.500 4.799 4.476 5.054 . 0 0 "[ . 1]" 1
390 1 86 ILE MD 1 87 LYS H 4.800 . 6.300 5.002 4.565 5.370 . 0 0 "[ . 1]" 1
391 1 86 ILE MD 1 98 GLY H 4.800 . 6.300 4.049 3.585 4.528 . 0 0 "[ . 1]" 1
392 1 86 ILE MD 1 99 ALA H . . 4.050 2.904 2.511 3.446 . 0 0 "[ . 1]" 1
393 1 86 ILE MD 1 100 GLY H 4.800 . 6.300 3.159 2.944 3.433 . 0 0 "[ . 1]" 1
394 1 86 ILE MD 1 101 VAL H 4.800 . 6.300 4.717 4.006 5.430 . 0 0 "[ . 1]" 1
395 1 86 ILE MD 1 109 THR HG1 4.800 . 5.995 3.489 2.267 4.212 . 0 0 "[ . 1]" 1
396 1 86 ILE MD 1 110 MET H 4.800 . 6.300 4.849 4.305 5.595 . 0 0 "[ . 1]" 1
397 1 86 ILE MD 1 113 VAL QG 4.800 . 6.300 3.243 2.552 3.669 . 0 0 "[ . 1]" 1
398 1 86 ILE MD 1 119 LEU QD 4.800 . 6.300 4.144 3.663 4.516 . 0 0 "[ . 1]" 1
399 1 86 ILE MD 1 161 LEU QD 4.800 . 6.300 5.170 4.568 5.611 . 0 0 "[ . 1]" 1
400 1 86 ILE MD 1 197 GLY H 4.800 . 6.300 6.001 5.195 6.397 0.097 7 0 "[ . 1]" 1
401 1 86 ILE MD 1 198 SER H 4.800 . 6.300 6.318 5.885 6.573 0.273 3 0 "[ . 1]" 1
402 1 87 LYS H 1 97 ILE H 5.000 . 6.500 4.903 4.755 5.031 . 0 0 "[ . 1]" 1
403 1 87 LYS H 1 97 ILE MD 4.800 . 6.300 5.495 4.057 6.542 0.242 1 0 "[ . 1]" 1
404 1 87 LYS H 1 98 GLY H 5.000 . 6.500 5.251 5.115 5.337 . 0 0 "[ . 1]" 1
405 1 87 LYS H 1 119 LEU QD 4.800 . 6.300 5.680 5.161 6.418 0.118 7 0 "[ . 1]" 1
406 1 88 GLN H 1 90 GLY H 5.000 . 6.500 5.362 4.840 5.582 . 0 0 "[ . 1]" 1
407 1 88 GLN H 1 91 ILE MD 4.800 . 6.300 6.001 4.831 6.634 0.334 7 0 "[ . 1]" 1
408 1 88 GLN H 1 95 SER H 3.600 . 4.050 3.352 2.853 3.595 . 0 0 "[ . 1]" 1
409 1 88 GLN H 1 96 GLN H 4.000 . 5.500 5.141 5.047 5.253 . 0 0 "[ . 1]" 1
410 1 88 GLN H 1 97 ILE H 5.000 . 5.050 4.651 4.152 4.998 . 0 0 "[ . 1]" 1
411 1 88 GLN H 1 97 ILE MD . . 4.650 4.416 1.765 4.975 0.325 1 0 "[ . 1]" 1
412 1 88 GLN H 1 98 GLY H 5.000 . 6.500 6.008 5.680 6.395 . 0 0 "[ . 1]" 1
413 1 88 GLN QE 1 89 LYS H 4.800 . 6.300 4.228 3.128 4.932 . 0 0 "[ . 1]" 1
414 1 89 LYS H 1 90 GLY H 4.000 . 5.500 4.068 3.914 4.481 . 0 0 "[ . 1]" 1
415 1 89 LYS H 1 95 SER H 5.000 . 6.500 5.196 4.949 5.263 . 0 0 "[ . 1]" 1
416 1 89 LYS H 1 120 MET ME 4.800 . 6.300 6.365 5.850 6.541 0.241 7 0 "[ . 1]" 1
417 1 90 GLY H 1 91 ILE H 5.000 . 6.500 4.404 4.355 4.581 . 0 0 "[ . 1]" 1
418 1 90 GLY H 1 91 ILE MD 4.800 . 6.300 4.956 4.127 5.511 . 0 0 "[ . 1]" 1
419 1 90 GLY H 1 92 LEU H 5.000 . 6.500 4.670 4.030 6.061 . 0 0 "[ . 1]" 1
420 1 90 GLY H 1 93 GLY H 3.600 . 5.100 3.430 2.945 3.920 . 0 0 "[ . 1]" 1
421 1 90 GLY H 1 94 TYR H 5.000 . 6.500 4.758 3.821 5.158 . 0 0 "[ . 1]" 1
422 1 90 GLY H 1 95 SER H 3.600 . 5.050 4.026 2.953 4.600 . 0 0 "[ . 1]" 1
423 1 91 ILE H 1 91 ILE MD 4.800 . 6.300 3.661 1.829 4.365 . 0 0 "[ . 1]" 1
424 1 91 ILE H 1 92 LEU H 3.600 . 5.100 3.568 2.602 4.607 . 0 0 "[ . 1]" 1
425 1 91 ILE H 1 93 GLY H 5.000 . 6.500 4.472 3.886 4.939 . 0 0 "[ . 1]" 1
426 1 91 ILE MD 1 92 LEU H 4.800 . 6.300 4.506 4.007 5.600 . 0 0 "[ . 1]" 1
427 1 91 ILE MD 1 92 LEU QD 4.800 . 6.300 5.362 4.347 6.205 . 0 0 "[ . 1]" 1
428 1 91 ILE MD 1 93 GLY H 4.800 . 6.300 5.316 4.875 5.831 . 0 0 "[ . 1]" 1
429 1 91 ILE MD 1 95 SER H 4.800 . 6.300 6.442 5.180 7.141 0.841 6 1 "[ .+ 1]" 1
430 1 91 ILE MD 1 97 ILE MD 4.800 . 6.300 4.940 4.136 5.603 . 0 0 "[ . 1]" 1
431 1 92 LEU H 1 92 LEU QD 4.800 . 6.300 3.421 2.407 4.181 . 0 0 "[ . 1]" 1
432 1 92 LEU H 1 93 GLY H 2.300 . 3.750 2.304 1.698 2.665 . 0 0 "[ . 1]" 1
433 1 92 LEU QD 1 93 GLY H 4.800 . 6.300 4.004 2.595 4.520 . 0 0 "[ . 1]" 1
434 1 93 GLY H 1 94 TYR H 5.000 . 6.500 4.331 3.738 4.548 . 0 0 "[ . 1]" 1
435 1 94 TYR H 1 95 SER H 3.600 . 5.100 3.893 2.541 4.466 . 0 0 "[ . 1]" 1
436 1 95 SER H 1 96 GLN H 4.000 . 5.500 4.326 3.969 4.526 . 0 0 "[ . 1]" 1
437 1 95 SER H 1 97 ILE MD 4.800 . 6.300 6.104 4.164 6.747 0.447 9 0 "[ . 1]" 1
438 1 96 GLN H 1 97 ILE H 5.000 . 6.500 4.439 4.365 4.588 . 0 0 "[ . 1]" 1
439 1 97 ILE H 1 97 ILE MD 4.800 . 6.300 2.968 1.846 4.651 . 0 0 "[ . 1]" 1
440 1 97 ILE H 1 98 GLY H 2.300 . 3.750 2.059 1.873 2.157 . 0 0 "[ . 1]" 1
441 1 97 ILE MD 1 98 GLY H 4.800 . 6.300 2.650 1.747 4.936 0.053 8 0 "[ . 1]" 1
442 1 97 ILE MD 1 99 ALA H 4.800 . 6.300 4.769 4.063 6.216 . 0 0 "[ . 1]" 1
443 1 97 ILE MD 1 113 VAL QG 4.800 . 6.300 3.501 2.446 4.830 . 0 0 "[ . 1]" 1
444 1 97 ILE MD 1 114 THR HG1 4.800 . 6.300 5.482 4.742 6.531 0.231 6 0 "[ . 1]" 1
445 1 98 GLY H 1 99 ALA H 5.000 . 6.500 4.374 3.893 4.606 . 0 0 "[ . 1]" 1
446 1 98 GLY H 1 113 VAL QG 4.800 . 6.300 5.598 5.098 6.405 0.105 8 0 "[ . 1]" 1
447 1 99 ALA H 1 100 GLY H 5.000 . 6.500 4.290 4.210 4.397 . 0 0 "[ . 1]" 1
448 1 99 ALA H 1 109 THR HG1 4.800 . 6.300 5.531 4.783 6.297 . 0 0 "[ . 1]" 1
449 1 99 ALA H 1 113 VAL QG 4.800 . 6.300 4.138 3.915 4.388 . 0 0 "[ . 1]" 1
450 1 99 ALA H 1 161 LEU QD 4.800 . 6.300 4.512 4.104 4.860 . 0 0 "[ . 1]" 1
451 1 99 ALA H 1 197 GLY H 5.000 . 6.500 4.634 4.059 4.998 . 0 0 "[ . 1]" 1
452 1 99 ALA H 1 198 SER H 5.000 . 6.500 4.522 4.033 4.942 . 0 0 "[ . 1]" 1
453 1 99 ALA H 1 198 SER HG 4.800 . 6.300 5.218 4.703 6.337 0.037 3 0 "[ . 1]" 1
454 1 100 GLY H 1 101 VAL H 5.000 . 6.500 4.411 4.235 4.573 . 0 0 "[ . 1]" 1
455 1 100 GLY H 1 101 VAL QG 4.800 . 6.300 4.232 3.739 4.682 . 0 0 "[ . 1]" 1
456 1 100 GLY H 1 161 LEU QD 4.800 . 6.300 3.796 3.102 4.220 . 0 0 "[ . 1]" 1
457 1 101 VAL H 1 102 TYR H 5.000 . 6.500 4.139 3.853 4.326 . 0 0 "[ . 1]" 1
458 1 101 VAL H 1 108 HIS H 4.000 . 4.650 3.736 3.004 4.261 . 0 0 "[ . 1]" 1
459 1 101 VAL H 1 210 LEU QD 4.800 . 6.300 4.213 3.836 4.591 . 0 0 "[ . 1]" 1
460 1 101 VAL QG 1 102 TYR H 4.800 . 6.300 3.225 2.655 3.769 . 0 0 "[ . 1]" 1
461 1 101 VAL QG 1 103 LYS H 4.800 . 6.300 4.187 3.727 4.876 . 0 0 "[ . 1]" 1
462 1 101 VAL QG 1 108 HIS H 4.800 . 6.300 3.527 3.083 4.031 . 0 0 "[ . 1]" 1
463 1 101 VAL QG 1 109 THR H 4.800 . 6.300 5.082 4.492 5.476 . 0 0 "[ . 1]" 1
464 1 101 VAL QG 1 109 THR HG1 4.800 . 6.300 4.777 3.054 6.312 0.012 3 0 "[ . 1]" 1
465 1 101 VAL QG 1 110 MET H 4.800 . 6.300 5.766 4.643 6.486 0.186 5 0 "[ . 1]" 1
466 1 101 VAL QG 1 146 LEU QD 4.800 . 6.300 3.695 2.444 5.212 . 0 0 "[ . 1]" 1
467 1 101 VAL QG 1 161 LEU QD 4.800 . 6.300 4.450 3.317 5.307 . 0 0 "[ . 1]" 1
468 1 101 VAL QG 1 198 SER H 4.800 . 6.300 5.281 4.828 6.100 . 0 0 "[ . 1]" 1
469 1 101 VAL QG 1 210 LEU QD 4.800 . 6.300 1.978 1.726 2.764 0.074 3 0 "[ . 1]" 1
470 1 102 TYR H 1 103 LYS H 5.000 . 6.500 4.300 4.049 4.442 . 0 0 "[ . 1]" 1
471 1 102 TYR H 1 108 HIS H 5.000 . 5.650 4.790 4.410 5.181 . 0 0 "[ . 1]" 1
472 1 103 LYS H 1 104 GLU H 5.000 . 6.500 4.206 3.818 4.359 . 0 0 "[ . 1]" 1
473 1 103 LYS H 1 105 GLY H 5.000 . 6.500 4.340 4.047 4.618 . 0 0 "[ . 1]" 1
474 1 103 LYS H 1 106 THR H 3.600 . 5.100 3.252 3.053 3.458 . 0 0 "[ . 1]" 1
475 1 103 LYS H 1 108 HIS H 5.000 . 6.500 4.535 3.876 5.034 . 0 0 "[ . 1]" 1
476 1 103 LYS H 1 146 LEU QD 4.800 . 6.300 4.662 4.126 5.197 . 0 0 "[ . 1]" 1
477 1 104 GLU H 1 105 GLY H 4.000 . 5.500 3.565 2.637 4.072 . 0 0 "[ . 1]" 1
478 1 104 GLU H 1 106 THR H 5.000 . 6.500 4.530 4.068 4.792 . 0 0 "[ . 1]" 1
479 1 104 GLU H 1 146 LEU QD 4.800 . 6.300 5.608 4.386 6.323 0.023 2 0 "[ . 1]" 1
480 1 105 GLY H 1 106 THR H 2.900 . 4.450 2.201 1.765 2.976 0.035 6 0 "[ . 1]" 1
481 1 106 THR H 1 107 PHE H 5.000 . 6.500 4.272 4.107 4.427 . 0 0 "[ . 1]" 1
482 1 106 THR H 1 146 LEU QD 4.800 . 6.300 5.337 4.365 6.345 0.045 4 0 "[ . 1]" 1
483 1 107 PHE H 1 108 HIS H 5.000 . 6.500 4.378 3.944 4.614 . 0 0 "[ . 1]" 1
484 1 107 PHE H 1 129 SER HG 4.800 . 6.300 6.359 6.263 6.448 0.148 7 0 "[ . 1]" 1
485 1 107 PHE H 1 140 TYR H 3.600 . 4.050 2.970 2.572 3.267 . 0 0 "[ . 1]" 1
486 1 107 PHE H 1 141 GLY H 5.000 . 6.500 4.945 4.789 5.124 . 0 0 "[ . 1]" 1
487 1 107 PHE H 1 142 GLY H 5.000 . 6.500 5.040 4.505 5.488 . 0 0 "[ . 1]" 1
488 1 108 HIS H 1 109 THR H 5.000 . 6.500 4.206 4.013 4.408 . 0 0 "[ . 1]" 1
489 1 108 HIS H 1 140 TYR H 5.000 . 6.500 4.918 4.548 5.086 . 0 0 "[ . 1]" 1
490 1 108 HIS H 1 146 LEU QD 4.800 . 6.300 5.493 4.929 6.397 0.097 9 0 "[ . 1]" 1
491 1 108 HIS H 1 210 LEU QD 4.800 . 6.300 4.611 4.095 5.245 . 0 0 "[ . 1]" 1
492 1 109 THR H 1 109 THR HG1 4.800 . 6.300 4.536 4.251 4.729 . 0 0 "[ . 1]" 1
493 1 109 THR H 1 110 MET H 5.000 . 6.500 4.278 4.119 4.428 . 0 0 "[ . 1]" 1
494 1 109 THR H 1 137 LEU QD 4.800 . 6.300 4.340 3.942 5.160 . 0 0 "[ . 1]" 1
495 1 109 THR H 1 138 ILE H 3.600 . 4.450 3.326 3.085 3.551 . 0 0 "[ . 1]" 1
496 1 109 THR H 1 138 ILE MD 4.800 . 6.300 5.613 5.322 5.944 . 0 0 "[ . 1]" 1
497 1 109 THR H 1 139 SER H 5.000 . 6.500 4.971 4.626 5.119 . 0 0 "[ . 1]" 1
498 1 109 THR H 1 210 LEU QD 4.800 . 6.300 3.721 3.284 4.738 . 0 0 "[ . 1]" 1
499 1 109 THR HG1 1 110 MET H 4.800 . 6.300 2.200 1.720 2.571 0.080 10 0 "[ . 1]" 1
500 1 109 THR HG1 1 110 MET ME 4.800 . 6.300 5.308 4.308 6.333 0.033 9 0 "[ . 1]" 1
501 1 109 THR HG1 1 113 VAL QG 4.800 . 6.300 3.021 1.819 3.801 . 0 0 "[ . 1]" 1
502 1 109 THR HG1 1 119 LEU QD 4.800 . 6.300 5.657 4.787 6.350 0.050 1 0 "[ . 1]" 1
503 1 109 THR HG1 1 210 LEU QD 4.800 . 6.300 4.274 3.495 5.480 . 0 0 "[ . 1]" 1
504 1 110 MET H 1 110 MET ME 4.800 . 6.300 4.323 3.485 4.864 . 0 0 "[ . 1]" 1
505 1 110 MET H 1 111 TRP H 5.000 . 6.500 4.552 4.393 4.650 . 0 0 "[ . 1]" 1
506 1 110 MET H 1 112 HIS H 5.000 . 6.500 5.949 5.662 6.122 . 0 0 "[ . 1]" 1
507 1 110 MET H 1 113 VAL H 5.000 . 6.500 5.109 4.620 5.321 . 0 0 "[ . 1]" 1
508 1 110 MET H 1 113 VAL QG 4.800 . 6.300 2.755 2.185 3.091 . 0 0 "[ . 1]" 1
509 1 110 MET H 1 138 ILE MD 4.800 . 6.300 4.564 3.358 5.636 . 0 0 "[ . 1]" 1
510 1 110 MET H 1 210 LEU QD 4.800 . 6.300 4.156 3.274 5.523 . 0 0 "[ . 1]" 1
511 1 110 MET ME 1 111 TRP H 4.800 . 6.300 3.654 2.651 4.594 . 0 0 "[ . 1]" 1
512 1 110 MET ME 1 112 HIS H 4.800 . 6.300 4.676 3.414 6.187 . 0 0 "[ . 1]" 1
513 1 110 MET ME 1 113 VAL H 4.800 . 6.300 5.477 4.768 6.572 0.272 6 0 "[ . 1]" 1
514 1 110 MET ME 1 113 VAL QG 4.800 . 6.300 4.065 3.516 4.619 . 0 0 "[ . 1]" 1
515 1 110 MET ME 1 137 LEU H 4.800 . 6.300 5.247 4.651 6.061 . 0 0 "[ . 1]" 1
516 1 110 MET ME 1 137 LEU QD 4.800 . 6.300 2.240 1.957 3.014 . 0 0 "[ . 1]" 1
517 1 110 MET ME 1 138 ILE H 4.800 . 6.300 4.964 4.160 5.579 . 0 0 "[ . 1]" 1
518 1 110 MET ME 1 197 GLY H 4.800 . 6.300 4.667 3.150 5.472 . 0 0 "[ . 1]" 1
519 1 110 MET ME 1 198 SER H 4.800 . 6.300 5.874 4.298 6.522 0.222 3 0 "[ . 1]" 1
520 1 110 MET ME 1 200 ILE MD 4.800 . 6.300 5.646 5.011 6.093 . 0 0 "[ . 1]" 1
521 1 110 MET ME 1 210 LEU H 4.800 . 5.850 5.064 4.626 5.619 . 0 0 "[ . 1]" 1
522 1 110 MET ME 1 210 LEU QD 4.800 . 6.300 2.898 1.923 3.957 . 0 0 "[ . 1]" 1
523 1 110 MET ME 1 211 TYR H 4.800 . 6.300 4.368 3.114 5.063 . 0 0 "[ . 1]" 1
524 1 110 MET ME 1 212 GLY H 4.800 . 6.300 3.969 2.691 4.485 . 0 0 "[ . 1]" 1
525 1 110 MET ME 1 213 ASN H 4.800 . 6.300 4.129 2.557 5.709 . 0 0 "[ . 1]" 1
526 1 110 MET ME 1 227 ALA H 4.800 . 6.300 4.554 3.658 5.356 . 0 0 "[ . 1]" 1
527 1 110 MET ME 1 228 GLN H 4.800 . 6.300 5.918 5.128 6.388 0.088 5 0 "[ . 1]" 1
528 1 111 TRP H 1 112 HIS H 2.900 . 4.450 2.495 2.354 2.610 . 0 0 "[ . 1]" 1
529 1 111 TRP H 1 113 VAL H 5.000 . 6.500 4.036 3.829 4.128 . 0 0 "[ . 1]" 1
530 1 111 TRP H 1 113 VAL QG 4.800 . 6.300 3.723 3.579 3.893 . 0 0 "[ . 1]" 1
531 1 111 TRP H 1 136 ASP H 5.000 . 6.500 5.352 5.150 5.683 . 0 0 "[ . 1]" 1
532 1 111 TRP H 1 137 LEU H 4.000 . 5.500 3.918 3.413 4.180 . 0 0 "[ . 1]" 1
533 1 111 TRP H 1 137 LEU QD 4.800 . 6.300 3.830 3.133 4.863 . 0 0 "[ . 1]" 1
534 1 111 TRP H 1 138 ILE H 3.600 . 5.100 4.298 4.147 4.585 . 0 0 "[ . 1]" 1
535 1 111 TRP H 1 138 ILE MD 4.800 . 6.300 4.300 3.909 4.628 . 0 0 "[ . 1]" 1
536 1 111 TRP HE1 1 130 TRP HE1 4.800 . 6.300 6.364 4.887 6.618 0.318 1 0 "[ . 1]" 1
537 1 111 TRP HE1 1 131 ALA H 4.800 . 6.300 5.270 4.840 5.517 . 0 0 "[ . 1]" 1
538 1 111 TRP HE1 1 133 VAL H 4.800 . 6.300 4.087 3.694 4.342 . 0 0 "[ . 1]" 1
539 1 111 TRP HE1 1 133 VAL QG 4.800 . 6.300 3.283 2.528 4.144 . 0 0 "[ . 1]" 1
540 1 111 TRP HE1 1 138 ILE MD 4.800 . 5.450 3.635 3.286 3.791 . 0 0 "[ . 1]" 1
541 1 112 HIS H 1 113 VAL H 2.900 . 4.450 2.699 2.449 2.822 . 0 0 "[ . 1]" 1
542 1 112 HIS H 1 113 VAL QG 4.800 . 6.300 3.498 3.380 3.643 . 0 0 "[ . 1]" 1
543 1 112 HIS H 1 114 THR H 5.000 . 6.500 4.474 3.939 4.860 . 0 0 "[ . 1]" 1
544 1 112 HIS H 1 137 LEU H 5.000 . 6.500 5.830 5.152 6.103 . 0 0 "[ . 1]" 1
545 1 112 HIS H 1 138 ILE MD 4.800 . 6.300 5.121 4.942 5.338 . 0 0 "[ . 1]" 1
546 1 113 VAL H 1 114 THR H 2.900 . 4.450 2.705 2.482 2.875 . 0 0 "[ . 1]" 1
547 1 113 VAL H 1 138 ILE MD 4.800 . 6.300 4.918 4.555 5.251 . 0 0 "[ . 1]" 1
548 1 113 VAL QG 1 114 THR H 4.800 . 6.300 2.334 1.740 2.801 0.060 4 0 "[ . 1]" 1
549 1 113 VAL QG 1 115 ARG H 4.800 . 6.300 5.439 5.193 5.751 . 0 0 "[ . 1]" 1
550 1 113 VAL QG 1 116 GLY H 4.800 . 6.300 5.068 4.723 5.385 . 0 0 "[ . 1]" 1
551 1 113 VAL QG 1 117 ALA H 4.800 . 6.300 5.807 4.917 6.455 0.155 7 0 "[ . 1]" 1
552 1 113 VAL QG 1 119 LEU QD 4.800 . 6.300 4.877 4.259 5.341 . 0 0 "[ . 1]" 1
553 1 113 VAL QG 1 197 GLY H 4.800 . 6.300 4.109 3.556 4.513 . 0 0 "[ . 1]" 1
554 1 113 VAL QG 1 210 LEU QD 4.800 . 6.300 4.770 3.619 5.965 . 0 0 "[ . 1]" 1
555 1 114 THR H 1 114 THR HG1 4.800 . 6.300 4.235 3.425 4.917 . 0 0 "[ . 1]" 1
556 1 114 THR H 1 115 ARG H 4.000 . 5.500 4.307 4.139 4.387 . 0 0 "[ . 1]" 1
557 1 114 THR H 1 116 GLY H 5.000 . 6.500 4.414 4.152 4.714 . 0 0 "[ . 1]" 1
558 1 114 THR H 1 138 ILE MD 4.800 . 6.300 3.933 3.292 5.043 . 0 0 "[ . 1]" 1
559 1 114 THR HG1 1 115 ARG H 4.800 . 6.300 3.707 2.532 4.750 . 0 0 "[ . 1]" 1
560 1 114 THR HG1 1 116 GLY H 4.800 . 6.300 4.984 3.474 5.848 . 0 0 "[ . 1]" 1
561 1 114 THR HG1 1 117 ALA H 4.800 . 6.300 5.174 3.020 6.372 0.072 5 0 "[ . 1]" 1
562 1 114 THR HG1 1 119 LEU QD 4.800 . 6.300 5.824 5.130 6.517 0.217 4 0 "[ . 1]" 1
563 1 114 THR HG1 1 138 ILE MD 4.800 . 6.300 5.730 5.011 6.254 . 0 0 "[ . 1]" 1
564 1 115 ARG H 1 116 GLY H 2.300 . 3.750 2.841 2.095 3.340 . 0 0 "[ . 1]" 1
565 1 115 ARG H 1 117 ALA H 4.000 . 5.500 4.249 3.491 4.920 . 0 0 "[ . 1]" 1
566 1 115 ARG H 1 138 ILE MD 4.800 . 6.300 4.917 4.638 5.409 . 0 0 "[ . 1]" 1
567 1 116 GLY H 1 117 ALA H 2.900 . 4.450 2.505 2.337 2.865 . 0 0 "[ . 1]" 1
568 1 116 GLY H 1 119 LEU QD 4.800 . 6.300 6.016 5.353 6.499 0.199 9 0 "[ . 1]" 1
569 1 116 GLY H 1 138 ILE MD . . 4.650 2.873 2.398 3.584 . 0 0 "[ . 1]" 1
570 1 117 ALA H 1 118 VAL H 5.000 . 6.500 4.440 4.276 4.582 . 0 0 "[ . 1]" 1
571 1 117 ALA H 1 118 VAL QG 4.800 . 6.300 5.470 5.167 5.650 . 0 0 "[ . 1]" 1
572 1 117 ALA H 1 119 LEU QD 4.800 . 6.300 4.496 3.822 5.208 . 0 0 "[ . 1]" 1
573 1 117 ALA H 1 138 ILE MD . . 4.050 3.556 3.326 3.933 . 0 0 "[ . 1]" 1
574 1 118 VAL H 1 119 LEU H 5.000 . 6.500 4.588 4.469 4.670 . 0 0 "[ . 1]" 1
575 1 118 VAL H 1 119 LEU QD 4.800 . 6.300 4.295 3.867 4.921 . 0 0 "[ . 1]" 1
576 1 118 VAL H 1 120 MET ME 4.800 . 6.300 5.667 4.370 6.649 0.349 9 0 "[ . 1]" 1
577 1 118 VAL QG 1 119 LEU H 4.800 . 6.300 2.282 1.769 2.641 0.031 9 0 "[ . 1]" 1
578 1 118 VAL QG 1 119 LEU QD 4.800 . 6.300 3.765 3.591 4.089 . 0 0 "[ . 1]" 1
579 1 118 VAL QG 1 120 MET QG 4.800 . 6.300 4.138 3.038 4.866 . 0 0 "[ . 1]" 1
580 1 118 VAL QG 1 120 MET ME 4.800 . 6.300 2.902 1.961 3.967 . 0 0 "[ . 1]" 1
581 1 118 VAL QG 1 125 ARG H 4.800 . 6.300 5.561 5.359 5.810 . 0 0 "[ . 1]" 1
582 1 118 VAL QG 1 126 ILE H 4.800 . 6.300 3.093 2.642 3.700 . 0 0 "[ . 1]" 1
583 1 118 VAL QG 1 126 ILE MD 4.800 . 6.300 5.191 3.771 5.610 . 0 0 "[ . 1]" 1
584 1 118 VAL QG 1 127 GLU H 4.800 . 6.300 3.949 3.527 4.735 . 0 0 "[ . 1]" 1
585 1 119 LEU H 1 119 LEU QD 4.800 . 6.300 2.899 2.438 3.468 . 0 0 "[ . 1]" 1
586 1 119 LEU H 1 120 MET H 5.000 . 6.500 4.571 4.512 4.669 . 0 0 "[ . 1]" 1
587 1 119 LEU H 1 120 MET ME 4.800 . 6.300 5.328 4.127 6.221 . 0 0 "[ . 1]" 1
588 1 119 LEU H 1 126 ILE H 3.600 . 4.250 3.867 3.542 4.214 . 0 0 "[ . 1]" 1
589 1 119 LEU H 1 126 ILE MD 4.800 . 6.300 5.124 3.837 5.796 . 0 0 "[ . 1]" 1
590 1 119 LEU H 1 127 GLU H 5.000 . 6.500 5.052 4.730 5.237 . 0 0 "[ . 1]" 1
591 1 119 LEU QD 1 120 MET H 4.800 . 6.300 3.209 2.648 3.688 . 0 0 "[ . 1]" 1
592 1 119 LEU QD 1 120 MET QG 4.800 . 6.300 4.388 3.988 5.191 . 0 0 "[ . 1]" 1
593 1 119 LEU QD 1 120 MET ME 4.800 . 6.300 5.299 4.527 6.089 . 0 0 "[ . 1]" 1
594 1 119 LEU QD 1 126 ILE H 4.800 . 6.300 5.161 4.850 5.604 . 0 0 "[ . 1]" 1
595 1 119 LEU QD 1 126 ILE MD 4.800 . 6.300 3.740 2.564 4.802 . 0 0 "[ . 1]" 1
596 1 119 LEU QD 1 138 ILE MD 4.800 . 6.300 4.621 4.275 5.307 . 0 0 "[ . 1]" 1
597 1 120 MET H 1 120 MET QG 4.800 . 6.300 2.843 2.487 3.098 . 0 0 "[ . 1]" 1
598 1 120 MET H 1 120 MET ME 4.800 . 6.300 4.767 4.172 5.346 . 0 0 "[ . 1]" 1
599 1 120 MET H 1 121 HIS H 5.000 . 6.500 4.365 4.281 4.422 . 0 0 "[ . 1]" 1
600 1 120 MET H 1 126 ILE H 5.000 . 6.500 4.462 3.824 4.987 . 0 0 "[ . 1]" 1
601 1 120 MET H 1 126 ILE MD 4.800 . 6.300 3.816 2.921 4.263 . 0 0 "[ . 1]" 1
602 1 120 MET QB 1 121 HIS H 2.300 . 3.750 2.140 1.883 2.496 . 0 0 "[ . 1]" 1
603 1 120 MET QB 1 123 GLY H 5.000 . 6.500 3.077 2.539 4.408 . 0 0 "[ . 1]" 1
604 1 120 MET QB 1 124 LYS H 4.000 . 5.500 3.215 2.579 3.767 . 0 0 "[ . 1]" 1
605 1 120 MET QB 1 125 ARG H 5.000 . 6.500 4.071 3.955 4.401 . 0 0 "[ . 1]" 1
606 1 120 MET QB 1 126 ILE MD 4.800 . 6.300 4.666 3.533 5.589 . 0 0 "[ . 1]" 1
607 1 120 MET QG 1 121 HIS H 4.800 . 6.300 3.704 3.328 4.032 . 0 0 "[ . 1]" 1
608 1 120 MET QG 1 123 GLY H 4.800 . 6.300 3.536 2.692 5.074 . 0 0 "[ . 1]" 1
609 1 120 MET QG 1 124 LYS H 4.800 . 6.300 4.756 3.809 5.480 . 0 0 "[ . 1]" 1
610 1 120 MET QG 1 126 ILE H 4.800 . 6.300 4.835 4.237 5.199 . 0 0 "[ . 1]" 1
611 1 120 MET QG 1 126 ILE MD 4.800 . 6.300 5.437 4.340 6.317 0.017 7 0 "[ . 1]" 1
612 1 120 MET ME 1 121 HIS H 4.800 . 6.300 4.566 3.860 4.991 . 0 0 "[ . 1]" 1
613 1 120 MET ME 1 122 LYS H 4.800 . 6.300 5.841 5.023 6.518 0.218 7 0 "[ . 1]" 1
614 1 120 MET ME 1 123 GLY H 4.800 . 6.300 3.934 3.006 6.388 0.088 5 0 "[ . 1]" 1
615 1 120 MET ME 1 124 LYS H 4.800 . 6.300 4.656 3.769 6.154 . 0 0 "[ . 1]" 1
616 1 120 MET ME 1 125 ARG H 4.800 . 6.300 4.541 4.095 5.869 . 0 0 "[ . 1]" 1
617 1 120 MET ME 1 126 ILE H 4.800 . 6.300 4.256 3.298 5.111 . 0 0 "[ . 1]" 1
618 1 120 MET ME 1 126 ILE MD 4.800 . 6.300 6.059 5.262 6.536 0.236 6 0 "[ . 1]" 1
619 1 121 HIS H 1 122 LYS H 5.000 . 6.500 3.933 3.725 4.259 . 0 0 "[ . 1]" 1
620 1 121 HIS H 1 124 LYS H 3.600 . 5.100 3.005 1.975 3.731 . 0 0 "[ . 1]" 1
621 1 121 HIS H 1 125 ARG H 5.000 . 6.500 4.901 4.597 5.101 . 0 0 "[ . 1]" 1
622 1 121 HIS H 1 126 ILE H 5.000 . 6.500 4.915 4.293 5.580 . 0 0 "[ . 1]" 1
623 1 121 HIS H 1 126 ILE MD 4.800 . 6.300 4.374 3.514 5.825 . 0 0 "[ . 1]" 1
624 1 122 LYS H 1 123 GLY H 4.000 . 5.500 3.365 2.884 4.518 . 0 0 "[ . 1]" 1
625 1 122 LYS H 1 124 LYS H 5.000 . 6.500 4.325 4.004 4.530 . 0 0 "[ . 1]" 1
626 1 123 GLY H 1 124 LYS H 2.900 . 4.450 2.613 2.203 2.977 . 0 0 "[ . 1]" 1
627 1 124 LYS H 1 125 ARG H 5.000 . 6.500 4.397 4.096 4.521 . 0 0 "[ . 1]" 1
628 1 125 ARG H 1 126 ILE H 5.000 . 6.500 4.508 4.224 4.630 . 0 0 "[ . 1]" 1
629 1 126 ILE H 1 126 ILE MD 4.800 . 6.300 3.887 1.814 4.493 . 0 0 "[ . 1]" 1
630 1 126 ILE H 1 127 GLU H 5.000 . 6.500 4.316 4.110 4.504 . 0 0 "[ . 1]" 1
631 1 126 ILE MD 1 127 GLU H 4.800 . 6.300 5.005 3.953 5.334 . 0 0 "[ . 1]" 1
632 1 129 SER HG 1 142 GLY H 4.800 . 6.300 2.648 2.313 3.597 . 0 0 "[ . 1]" 1
633 1 129 SER HG 1 143 GLY H 4.800 . 6.300 4.434 2.790 5.063 . 0 0 "[ . 1]" 1
634 1 129 SER HG 1 144 TRP H 4.800 . 6.300 6.096 5.491 6.397 0.097 3 0 "[ . 1]" 1
635 1 130 TRP H 1 131 ALA H 5.000 . 6.500 4.337 4.291 4.361 . 0 0 "[ . 1]" 1
636 1 130 TRP H 1 138 ILE MD 4.800 . 6.300 6.168 5.700 6.396 0.096 2 0 "[ . 1]" 1
637 1 130 TRP H 1 139 SER H 4.000 . 4.650 3.187 2.912 3.358 . 0 0 "[ . 1]" 1
638 1 130 TRP H 1 141 GLY H 5.000 . 6.500 5.342 5.108 5.575 . 0 0 "[ . 1]" 1
639 1 130 TRP HE1 1 131 ALA H 4.800 . 6.300 4.413 3.899 4.688 . 0 0 "[ . 1]" 1
640 1 130 TRP HE1 1 132 ASP H 4.800 . 6.300 3.140 2.847 3.998 . 0 0 "[ . 1]" 1
641 1 130 TRP HE1 1 133 VAL QG 4.800 . 6.300 6.320 5.443 6.561 0.261 8 0 "[ . 1]" 1
642 1 130 TRP HE1 1 138 ILE MD 4.800 . 6.300 6.515 6.443 6.637 0.337 3 0 "[ . 1]" 1
643 1 131 ALA H 1 138 ILE MD 4.800 . 6.300 5.696 5.115 5.922 . 0 0 "[ . 1]" 1
644 1 131 ALA H 1 139 SER H 4.000 . 5.500 4.643 4.451 4.853 . 0 0 "[ . 1]" 1
645 1 132 ASP H 1 133 VAL H 5.000 . 6.500 4.226 4.086 4.344 . 0 0 "[ . 1]" 1
646 1 132 ASP H 1 133 VAL QG 4.800 . 6.300 4.756 4.429 5.250 . 0 0 "[ . 1]" 1
647 1 132 ASP H 1 134 LYS H 5.000 . 6.500 5.639 5.441 6.147 . 0 0 "[ . 1]" 1
648 1 132 ASP H 1 135 LYS H 5.000 . 6.500 5.864 5.497 6.306 . 0 0 "[ . 1]" 1
649 1 132 ASP H 1 136 ASP H 5.000 . 6.500 5.310 4.990 5.597 . 0 0 "[ . 1]" 1
650 1 132 ASP H 1 137 LEU H 4.000 . 4.450 3.463 3.195 3.669 . 0 0 "[ . 1]" 1
651 1 132 ASP H 1 137 LEU QD 4.800 . 6.300 5.346 3.125 5.672 . 0 0 "[ . 1]" 1
652 1 132 ASP H 1 138 ILE MD 4.800 . 6.300 4.307 3.156 4.780 . 0 0 "[ . 1]" 1
653 1 132 ASP H 1 139 SER H 5.000 . 6.500 5.155 4.446 5.582 . 0 0 "[ . 1]" 1
654 1 133 VAL H 1 134 LYS H 2.900 . 4.450 2.516 2.443 2.639 . 0 0 "[ . 1]" 1
655 1 133 VAL H 1 135 LYS H 5.000 . 6.500 4.580 4.209 5.041 . 0 0 "[ . 1]" 1
656 1 133 VAL H 1 136 ASP H 5.000 . 6.500 4.648 4.401 4.861 . 0 0 "[ . 1]" 1
657 1 133 VAL H 1 137 LEU H 5.000 . 6.500 5.151 5.095 5.184 . 0 0 "[ . 1]" 1
658 1 133 VAL QG 1 134 LYS H 4.800 . 6.300 3.020 2.462 3.472 . 0 0 "[ . 1]" 1
659 1 133 VAL QG 1 135 LYS H 4.800 . 6.300 4.788 4.509 5.146 . 0 0 "[ . 1]" 1
660 1 133 VAL QG 1 136 ASP H 4.800 . 6.300 4.397 4.154 4.691 . 0 0 "[ . 1]" 1
661 1 133 VAL QG 1 137 LEU H 4.800 . 6.300 5.183 4.882 5.371 . 0 0 "[ . 1]" 1
662 1 133 VAL QG 1 138 ILE MD 4.800 . 6.300 5.123 4.580 5.715 . 0 0 "[ . 1]" 1
663 1 134 LYS H 1 135 LYS H 2.900 . 4.450 2.658 2.468 2.821 . 0 0 "[ . 1]" 1
664 1 134 LYS H 1 136 ASP H 4.000 . 5.500 3.428 3.259 3.766 . 0 0 "[ . 1]" 1
665 1 135 LYS H 1 136 ASP H 2.300 . 3.750 2.328 2.175 2.527 . 0 0 "[ . 1]" 1
666 1 135 LYS H 1 137 LEU H 4.000 . 5.500 4.160 3.817 4.623 . 0 0 "[ . 1]" 1
667 1 135 LYS H 1 137 LEU QD 4.800 . 6.300 5.122 4.339 5.478 . 0 0 "[ . 1]" 1
668 1 136 ASP H 1 137 LEU H 2.900 . 4.450 2.739 2.517 2.902 . 0 0 "[ . 1]" 1
669 1 136 ASP H 1 137 LEU QD 4.800 . 6.300 4.617 3.637 5.011 . 0 0 "[ . 1]" 1
670 1 137 LEU H 1 137 LEU QD 4.800 . 6.300 3.630 3.075 3.824 . 0 0 "[ . 1]" 1
671 1 137 LEU QD 1 138 ILE H 4.800 . 6.300 3.393 3.037 4.236 . 0 0 "[ . 1]" 1
672 1 137 LEU QD 1 144 TRP HE1 4.800 . 6.300 3.401 2.604 4.229 . 0 0 "[ . 1]" 1
673 1 137 LEU QD 1 210 LEU H 4.800 . 6.300 4.390 3.729 5.816 . 0 0 "[ . 1]" 1
674 1 137 LEU QD 1 210 LEU QD 4.800 . 6.300 2.166 1.709 3.500 0.091 7 0 "[ . 1]" 1
675 1 137 LEU QD 1 227 ALA H 4.800 . 6.300 4.798 4.280 6.255 . 0 0 "[ . 1]" 1
676 1 137 LEU QD 1 228 GLN H 4.800 . 6.300 3.421 2.727 4.992 . 0 0 "[ . 1]" 1
677 1 137 LEU QD 1 229 THR H 4.800 . 6.300 5.215 4.573 6.350 0.050 6 0 "[ . 1]" 1
678 1 137 LEU QD 1 230 GLU H 4.800 . 6.300 4.525 3.817 5.121 . 0 0 "[ . 1]" 1
679 1 138 ILE H 1 138 ILE MD 4.800 . 6.300 4.059 3.108 4.252 . 0 0 "[ . 1]" 1
680 1 138 ILE H 1 210 LEU QD 4.800 . 6.300 4.555 3.900 5.714 . 0 0 "[ . 1]" 1
681 1 138 ILE MD 1 139 SER H 4.800 . 6.300 4.801 4.301 5.027 . 0 0 "[ . 1]" 1
682 1 139 SER H 1 140 TYR H 5.000 . 6.500 4.392 4.337 4.469 . 0 0 "[ . 1]" 1
683 1 140 TYR H 1 141 GLY H 5.000 . 6.500 4.390 4.198 4.491 . 0 0 "[ . 1]" 1
684 1 140 TYR H 1 142 GLY H 5.000 . 6.500 4.498 3.834 6.106 . 0 0 "[ . 1]" 1
685 1 141 GLY H 1 142 GLY H 3.600 . 5.100 2.847 2.168 4.225 . 0 0 "[ . 1]" 1
686 1 142 GLY H 1 143 GLY H 3.600 . 5.100 4.077 2.799 4.418 . 0 0 "[ . 1]" 1
687 1 143 GLY H 1 144 TRP H 5.000 . 6.500 4.433 3.837 4.647 . 0 0 "[ . 1]" 1
688 1 144 TRP H 1 145 LYS H 5.000 . 6.500 4.417 4.145 4.620 . 0 0 "[ . 1]" 1
689 1 144 TRP H 1 232 SER H 5.000 . 6.500 5.146 4.068 6.528 0.028 4 0 "[ . 1]" 1
690 1 144 TRP HE1 1 146 LEU H 4.800 . 6.300 5.873 5.315 6.443 0.143 6 0 "[ . 1]" 1
691 1 144 TRP HE1 1 146 LEU QD 4.800 . 6.300 4.905 3.881 6.577 0.277 8 0 "[ . 1]" 1
692 1 144 TRP HE1 1 147 GLU H 4.800 . 6.300 6.373 5.781 6.606 0.306 2 0 "[ . 1]" 1
693 1 144 TRP HE1 1 210 LEU QD 4.800 . 6.300 5.177 4.216 5.900 . 0 0 "[ . 1]" 1
694 1 144 TRP HE1 1 228 GLN H 4.800 . 6.050 5.604 4.433 6.199 0.149 1 0 "[ . 1]" 1
695 1 144 TRP HE1 1 229 THR H 4.800 . 6.300 4.433 3.811 5.020 . 0 0 "[ . 1]" 1
696 1 144 TRP HE1 1 230 GLU H 4.800 . 6.300 2.568 1.783 3.465 0.017 7 0 "[ . 1]" 1
697 1 144 TRP HE1 1 231 LYS H 4.800 . 6.300 4.341 2.545 5.830 . 0 0 "[ . 1]" 1
698 1 145 LYS H 1 146 LEU H 4.000 . 5.500 4.142 3.862 4.401 . 0 0 "[ . 1]" 1
699 1 145 LYS H 1 146 LEU QD 4.800 . 6.300 4.075 2.668 5.619 . 0 0 "[ . 1]" 1
700 1 145 LYS H 1 232 SER H 5.000 . 6.500 5.207 4.468 6.367 . 0 0 "[ . 1]" 1
701 1 146 LEU H 1 146 LEU QD 4.800 . 6.300 3.374 2.632 4.101 . 0 0 "[ . 1]" 1
702 1 146 LEU H 1 147 GLU H 3.600 . 5.100 3.158 2.300 4.648 . 0 0 "[ . 1]" 1
703 1 146 LEU H 1 148 GLY H 5.000 . 6.500 5.400 3.700 6.619 0.119 8 0 "[ . 1]" 1
704 1 146 LEU H 1 231 LYS H 5.000 . 6.500 4.789 3.474 6.440 . 0 0 "[ . 1]" 1
705 1 146 LEU H 1 232 SER H 5.000 . 6.500 5.247 4.388 6.139 . 0 0 "[ . 1]" 1
706 1 146 LEU QD 1 147 GLU H 4.800 . 6.300 3.322 2.000 3.774 . 0 0 "[ . 1]" 1
707 1 146 LEU QD 1 148 GLY H 4.800 . 6.300 3.934 2.090 4.991 . 0 0 "[ . 1]" 1
708 1 146 LEU QD 1 207 VAL H 4.800 . 6.300 4.903 3.123 6.341 0.041 1 0 "[ . 1]" 1
709 1 146 LEU QD 1 207 VAL QG 4.800 . 6.300 3.917 1.723 5.900 0.077 6 0 "[ . 1]" 1
710 1 146 LEU QD 1 208 VAL H 4.800 . 6.300 5.612 4.607 6.564 0.264 8 0 "[ . 1]" 1
711 1 146 LEU QD 1 208 VAL QG 4.800 . 6.300 3.883 1.767 6.343 0.043 8 0 "[ . 1]" 1
712 1 146 LEU QD 1 209 GLY H 4.800 . 6.300 5.211 4.035 5.926 . 0 0 "[ . 1]" 1
713 1 146 LEU QD 1 210 LEU QD 4.800 . 6.300 4.251 2.248 5.711 . 0 0 "[ . 1]" 1
714 1 146 LEU QD 1 231 LYS H 4.800 . 6.300 5.965 4.661 6.547 0.247 8 0 "[ . 1]" 1
715 1 147 GLU H 1 148 GLY H 2.300 . 3.750 2.463 1.476 3.472 . 0 0 "[ . 1]" 1
716 1 147 GLU H 1 207 VAL QG 4.800 . 6.300 5.251 2.673 6.689 0.389 8 0 "[ . 1]" 1
717 1 147 GLU H 1 229 THR H 5.000 . 6.500 5.509 4.944 6.551 0.051 9 0 "[ . 1]" 1
718 1 147 GLU H 1 231 LYS H 5.000 . 6.500 5.827 4.950 6.737 0.237 9 0 "[ . 1]" 1
719 1 148 GLY H 1 149 GLU H 3.600 . 5.100 4.414 4.085 4.645 . 0 0 "[ . 1]" 1
720 1 148 GLY H 1 207 VAL H 5.000 . 6.500 4.361 3.432 5.072 . 0 0 "[ . 1]" 1
721 1 148 GLY H 1 207 VAL QG 4.800 . 6.300 4.147 1.920 5.174 . 0 0 "[ . 1]" 1
722 1 148 GLY H 1 208 VAL H 5.000 . 6.500 6.086 5.553 6.584 0.084 2 0 "[ . 1]" 1
723 1 148 GLY H 1 208 VAL QG 4.800 . 6.300 4.504 2.414 6.167 . 0 0 "[ . 1]" 1
724 1 148 GLY H 1 209 GLY H 5.000 . 6.500 6.200 5.003 6.620 0.120 8 0 "[ . 1]" 1
725 1 148 GLY H 1 229 THR H 5.000 . 6.500 5.312 4.105 6.537 0.037 8 0 "[ . 1]" 1
726 1 149 GLU H 1 150 TRP H 5.000 . 6.500 4.135 3.557 4.496 . 0 0 "[ . 1]" 1
727 1 149 GLU H 1 207 VAL H 5.000 . 6.500 5.816 3.711 6.747 0.247 8 0 "[ . 1]" 1
728 1 149 GLU H 1 207 VAL QG 4.800 . 6.300 4.081 2.398 5.981 . 0 0 "[ . 1]" 1
729 1 149 GLU H 1 208 VAL H 5.000 . 6.500 6.298 5.720 6.687 0.187 9 0 "[ . 1]" 1
730 1 149 GLU H 1 208 VAL QG 4.800 . 6.300 4.781 3.124 6.012 . 0 0 "[ . 1]" 1
731 1 149 GLU H 1 209 GLY H 5.000 . 6.500 6.376 5.925 6.911 0.411 8 0 "[ . 1]" 1
732 1 149 GLU H 1 229 THR HG1 4.800 . 6.300 4.959 4.017 6.139 . 0 0 "[ . 1]" 1
733 1 150 TRP H 1 151 LYS H 5.000 . 6.500 4.517 4.300 4.673 . 0 0 "[ . 1]" 1
734 1 150 TRP H 1 156 VAL QG 4.800 . 6.300 4.810 3.447 6.063 . 0 0 "[ . 1]" 1
735 1 150 TRP H 1 200 ILE MD 4.800 . 6.300 5.673 4.599 6.498 0.198 3 0 "[ . 1]" 1
736 1 150 TRP H 1 207 VAL QG 4.800 . 6.300 4.159 2.133 6.542 0.242 7 0 "[ . 1]" 1
737 1 150 TRP H 1 208 VAL QG 4.800 . 6.300 4.745 1.949 6.826 0.526 2 1 "[ + . 1]" 1
738 1 150 TRP H 1 209 GLY H 5.000 . 6.500 5.641 4.716 6.146 . 0 0 "[ . 1]" 1
739 1 150 TRP HE1 1 151 LYS H 4.800 . 6.300 4.805 3.948 5.949 . 0 0 "[ . 1]" 1
740 1 150 TRP HE1 1 152 GLU H 4.800 . 6.300 5.559 4.361 6.316 0.016 1 0 "[ . 1]" 1
741 1 150 TRP HE1 1 153 GLY H 4.800 . 6.300 4.161 3.288 5.916 . 0 0 "[ . 1]" 1
742 1 150 TRP HE1 1 154 GLU H 4.800 . 6.300 4.658 3.269 6.375 0.075 10 0 "[ . 1]" 1
743 1 150 TRP HE1 1 156 VAL H 4.800 . 6.300 4.671 3.667 6.088 . 0 0 "[ . 1]" 1
744 1 150 TRP HE1 1 156 VAL QG 4.800 . 6.300 3.151 2.051 3.712 . 0 0 "[ . 1]" 1
745 1 150 TRP HE1 1 187 VAL QG 4.800 . 6.300 5.605 4.222 6.406 0.106 1 0 "[ . 1]" 1
746 1 150 TRP HE1 1 200 ILE MD 4.800 . 6.300 6.168 5.093 6.545 0.245 8 0 "[ . 1]" 1
747 1 150 TRP HE1 1 226 ILE MD 4.800 . 6.300 3.634 2.660 4.904 . 0 0 "[ . 1]" 1
748 1 151 LYS H 1 152 GLU H 4.000 . 5.500 4.307 4.071 4.576 . 0 0 "[ . 1]" 1
749 1 151 LYS H 1 154 GLU H 5.000 . 6.500 5.005 3.982 6.064 . 0 0 "[ . 1]" 1
750 1 152 GLU H 1 153 GLY H 5.000 . 6.500 4.466 4.173 4.660 . 0 0 "[ . 1]" 1
751 1 152 GLU H 1 154 GLU H 5.000 . 6.500 5.081 4.445 6.536 0.036 10 0 "[ . 1]" 1
752 1 152 GLU H 1 226 ILE MD 4.800 . 6.300 5.601 2.287 6.361 0.061 7 0 "[ . 1]" 1
753 1 154 GLU H 1 156 VAL QG 4.800 . 6.300 5.230 4.439 6.042 . 0 0 "[ . 1]" 1
754 1 156 VAL H 1 157 GLN H 5.000 . 6.500 4.471 4.311 4.579 . 0 0 "[ . 1]" 1
755 1 156 VAL H 1 172 THR H 3.600 . 4.050 3.604 3.409 3.964 . 0 0 "[ . 1]" 1
756 1 156 VAL H 1 172 THR HG1 4.800 . 6.300 4.630 3.249 5.479 . 0 0 "[ . 1]" 1
757 1 156 VAL H 1 173 LYS H 5.000 . 6.500 5.021 4.591 5.208 . 0 0 "[ . 1]" 1
758 1 156 VAL H 1 187 VAL QG 4.800 . 6.300 5.128 4.113 5.923 . 0 0 "[ . 1]" 1
759 1 156 VAL H 1 226 ILE MD 4.800 . 6.300 5.921 4.806 6.744 0.444 9 0 "[ . 1]" 1
760 1 156 VAL QG 1 157 GLN H 4.800 . 6.300 2.686 1.756 3.508 0.044 1 0 "[ . 1]" 1
761 1 156 VAL QG 1 158 VAL H 4.800 . 6.300 4.741 3.797 5.501 . 0 0 "[ . 1]" 1
762 1 156 VAL QG 1 158 VAL QG 4.800 . 6.300 4.038 3.094 5.194 . 0 0 "[ . 1]" 1
763 1 156 VAL QG 1 172 THR H 4.800 . 6.300 3.772 3.354 4.956 . 0 0 "[ . 1]" 1
764 1 156 VAL QG 1 173 LYS H 4.800 . 6.300 5.261 4.512 6.587 0.287 2 0 "[ . 1]" 1
765 1 156 VAL QG 1 187 VAL QG 4.800 . 6.300 3.315 2.043 5.295 . 0 0 "[ . 1]" 1
766 1 156 VAL QG 1 200 ILE H 4.800 . 6.300 5.640 4.995 6.178 . 0 0 "[ . 1]" 1
767 1 156 VAL QG 1 200 ILE MD 4.800 . 6.300 3.288 2.515 4.235 . 0 0 "[ . 1]" 1
768 1 156 VAL QG 1 201 ILE H 4.800 . 6.300 4.194 3.120 5.048 . 0 0 "[ . 1]" 1
769 1 156 VAL QG 1 202 ASP H 4.800 . 6.300 4.827 3.190 5.916 . 0 0 "[ . 1]" 1
770 1 156 VAL QG 1 203 LYS H 4.800 . 6.300 5.345 4.370 6.518 0.218 8 0 "[ . 1]" 1
771 1 156 VAL QG 1 208 VAL H 4.800 . 6.300 4.766 4.020 5.350 . 0 0 "[ . 1]" 1
772 1 156 VAL QG 1 209 GLY H 4.800 . 6.300 5.154 4.595 5.543 . 0 0 "[ . 1]" 1
773 1 156 VAL QG 1 226 ILE MD 4.800 . 6.300 3.445 2.537 4.558 . 0 0 "[ . 1]" 1
774 1 157 GLN H 1 158 VAL H 5.000 . 6.500 4.480 4.339 4.603 . 0 0 "[ . 1]" 1
775 1 157 GLN H 1 158 VAL QG 4.800 . 6.300 5.057 4.202 5.426 . 0 0 "[ . 1]" 1
776 1 157 GLN H 1 200 ILE MD 4.800 . 6.300 6.159 5.504 6.443 0.143 5 0 "[ . 1]" 1
777 1 157 GLN H 1 201 ILE H 3.600 . 4.050 3.618 3.233 3.829 . 0 0 "[ . 1]" 1
778 1 157 GLN H 1 203 LYS H 5.000 . 6.500 5.154 4.258 5.707 . 0 0 "[ . 1]" 1
779 1 158 VAL H 1 159 LEU H 5.000 . 6.500 4.355 4.086 4.451 . 0 0 "[ . 1]" 1
780 1 158 VAL H 1 160 ALA H 5.000 . 6.500 5.193 4.735 5.660 . 0 0 "[ . 1]" 1
781 1 158 VAL H 1 170 VAL H 3.600 . 4.050 2.950 2.654 3.400 . 0 0 "[ . 1]" 1
782 1 158 VAL H 1 170 VAL QG 4.800 . 6.300 3.984 3.288 4.471 . 0 0 "[ . 1]" 1
783 1 158 VAL H 1 171 GLN H 5.000 . 6.500 4.922 4.733 5.092 . 0 0 "[ . 1]" 1
784 1 158 VAL H 1 172 THR H 4.000 . 5.500 4.696 3.551 5.144 . 0 0 "[ . 1]" 1
785 1 158 VAL H 1 189 LEU QD 4.800 . 6.300 4.755 3.861 5.435 . 0 0 "[ . 1]" 1
786 1 158 VAL H 1 201 ILE H 5.000 . 6.500 4.685 4.335 5.069 . 0 0 "[ . 1]" 1
787 1 158 VAL QG 1 159 LEU H 4.800 . 6.300 2.693 2.245 3.493 . 0 0 "[ . 1]" 1
788 1 158 VAL QG 1 160 ALA H 4.800 . 6.300 3.054 2.675 3.277 . 0 0 "[ . 1]" 1
789 1 158 VAL QG 1 161 LEU H 4.800 . 6.300 4.867 4.416 5.638 . 0 0 "[ . 1]" 1
790 1 158 VAL QG 1 169 ALA H 4.800 . 6.300 6.087 5.684 6.482 0.182 8 0 "[ . 1]" 1
791 1 158 VAL QG 1 170 VAL H 4.800 . 6.300 3.063 2.609 3.736 . 0 0 "[ . 1]" 1
792 1 158 VAL QG 1 171 GLN H 4.800 . 6.300 4.935 4.270 5.688 . 0 0 "[ . 1]" 1
793 1 158 VAL QG 1 172 THR H 4.800 . 6.300 4.544 4.063 5.049 . 0 0 "[ . 1]" 1
794 1 158 VAL QG 1 172 THR HG1 4.800 . 6.300 4.934 3.733 5.768 . 0 0 "[ . 1]" 1
795 1 158 VAL QG 1 187 VAL QG 4.800 . 6.300 3.216 2.787 3.703 . 0 0 "[ . 1]" 1
796 1 158 VAL QG 1 189 LEU QD 4.800 . 6.300 2.370 1.895 3.346 . 0 0 "[ . 1]" 1
797 1 158 VAL QG 1 198 SER H 4.800 . 6.300 4.842 4.458 5.256 . 0 0 "[ . 1]" 1
798 1 158 VAL QG 1 198 SER HG 4.800 . 6.300 4.168 3.900 4.507 . 0 0 "[ . 1]" 1
799 1 158 VAL QG 1 200 ILE H 4.800 . 6.300 4.200 3.712 4.777 . 0 0 "[ . 1]" 1
800 1 158 VAL QG 1 200 ILE MD 4.800 . 6.300 3.921 3.170 4.530 . 0 0 "[ . 1]" 1
801 1 158 VAL QG 1 201 ILE H 4.800 . 6.300 4.201 3.906 4.550 . 0 0 "[ . 1]" 1
802 1 158 VAL QG 1 201 ILE MD 4.800 . 6.300 4.890 4.330 5.590 . 0 0 "[ . 1]" 1
803 1 158 VAL QG 1 211 TYR H 4.800 . 6.300 4.426 4.132 4.837 . 0 0 "[ . 1]" 1
804 1 159 LEU H 1 159 LEU QD 4.800 . 6.300 3.306 1.834 3.785 . 0 0 "[ . 1]" 1
805 1 159 LEU H 1 160 ALA H 4.000 . 5.500 4.027 3.905 4.147 . 0 0 "[ . 1]" 1
806 1 159 LEU H 1 170 VAL H 5.000 . 6.500 4.995 4.491 5.246 . 0 0 "[ . 1]" 1
807 1 159 LEU H 1 201 ILE H 5.000 . 6.500 4.233 3.626 4.695 . 0 0 "[ . 1]" 1
808 1 159 LEU H 1 201 ILE MD 4.800 . 6.300 3.735 3.322 4.474 . 0 0 "[ . 1]" 1
809 1 159 LEU QD 1 160 ALA H 4.800 . 6.300 3.745 3.079 4.385 . 0 0 "[ . 1]" 1
810 1 159 LEU QD 1 161 LEU H 4.800 . 6.300 5.113 3.621 5.659 . 0 0 "[ . 1]" 1
811 1 159 LEU QD 1 161 LEU QD 4.800 . 6.300 3.033 2.444 3.406 . 0 0 "[ . 1]" 1
812 1 159 LEU QD 1 162 GLU H 4.800 . 6.300 6.110 5.030 6.603 0.303 4 0 "[ . 1]" 1
813 1 159 LEU QD 1 168 ARG H 4.800 . 6.300 4.433 3.740 5.493 . 0 0 "[ . 1]" 1
814 1 159 LEU QD 1 169 ALA H 4.800 . 6.300 3.753 3.292 5.239 . 0 0 "[ . 1]" 1
815 1 159 LEU QD 1 170 VAL H 4.800 . 6.300 4.285 3.382 5.327 . 0 0 "[ . 1]" 1
816 1 159 LEU QD 1 201 ILE H 4.800 . 6.300 5.202 4.219 5.750 . 0 0 "[ . 1]" 1
817 1 159 LEU QD 1 201 ILE MD 4.800 . 6.300 2.326 1.772 2.890 0.028 4 0 "[ . 1]" 1
818 1 160 ALA H 1 161 LEU QD 4.800 . 6.300 4.867 4.648 5.383 . 0 0 "[ . 1]" 1
819 1 160 ALA H 1 168 ARG H 4.000 . 4.050 3.801 3.417 4.077 0.027 2 0 "[ . 1]" 1
820 1 160 ALA H 1 169 ALA H 5.000 . 6.500 4.942 4.581 5.212 . 0 0 "[ . 1]" 1
821 1 160 ALA H 1 170 VAL H 3.600 . 5.100 3.518 2.918 3.786 . 0 0 "[ . 1]" 1
822 1 160 ALA H 1 170 VAL QG 4.800 . 6.300 3.292 2.869 4.222 . 0 0 "[ . 1]" 1
823 1 161 LEU H 1 161 LEU QD 4.800 . 6.300 3.084 2.741 3.358 . 0 0 "[ . 1]" 1
824 1 161 LEU H 1 162 GLU H 4.000 . 5.500 4.327 3.902 4.554 . 0 0 "[ . 1]" 1
825 1 161 LEU H 1 198 SER HG 4.800 . 6.300 4.166 3.416 4.546 . 0 0 "[ . 1]" 1
826 1 161 LEU QD 1 162 GLU H 4.800 . 6.300 3.779 3.014 4.013 . 0 0 "[ . 1]" 1
827 1 161 LEU QD 1 168 ARG H 4.800 . 6.300 4.207 3.530 5.000 . 0 0 "[ . 1]" 1
828 1 161 LEU QD 1 198 SER H 4.800 . 6.300 5.479 4.997 6.170 . 0 0 "[ . 1]" 1
829 1 161 LEU QD 1 198 SER HG 4.800 . 6.300 4.585 3.641 5.456 . 0 0 "[ . 1]" 1
830 1 162 GLU H 1 165 LYS H 5.000 . 6.500 4.961 4.334 5.708 . 0 0 "[ . 1]" 1
831 1 162 GLU H 1 166 ASN QD 4.800 . 6.300 5.605 4.116 6.471 0.171 8 0 "[ . 1]" 1
832 1 162 GLU H 1 168 ARG H 3.600 . 5.100 3.507 2.932 5.268 0.168 6 0 "[ . 1]" 1
833 1 164 GLY H 1 165 LYS H 2.900 . 4.450 2.691 2.495 3.020 . 0 0 "[ . 1]" 1
834 1 165 LYS H 1 166 ASN QD 4.800 . 6.300 5.679 4.963 6.540 0.240 9 0 "[ . 1]" 1
835 1 166 ASN H 1 166 ASN QD 4.800 . 6.300 3.056 2.251 3.701 . 0 0 "[ . 1]" 1
836 1 168 ARG H 1 169 ALA H 5.000 . 6.500 4.310 3.996 4.550 . 0 0 "[ . 1]" 1
837 1 168 ARG H 1 170 VAL QG 4.800 . 6.300 4.598 3.933 5.181 . 0 0 "[ . 1]" 1
838 1 169 ALA H 1 170 VAL QG 4.800 . 6.300 4.251 3.863 4.748 . 0 0 "[ . 1]" 1
839 1 170 VAL H 1 171 GLN H 5.000 . 6.500 4.397 4.308 4.523 . 0 0 "[ . 1]" 1
840 1 170 VAL H 1 189 LEU QD 4.800 . 6.300 4.876 4.233 5.612 . 0 0 "[ . 1]" 1
841 1 170 VAL QG 1 171 GLN H 4.800 . 6.300 2.698 2.367 3.103 . 0 0 "[ . 1]" 1
842 1 170 VAL QG 1 189 LEU QD 4.800 . 6.300 2.008 1.683 2.852 0.117 3 0 "[ . 1]" 1
843 1 171 GLN H 1 172 THR H 5.000 . 6.500 4.465 4.253 4.582 . 0 0 "[ . 1]" 1
844 1 171 GLN H 1 189 LEU QD 4.800 . 6.300 4.867 4.080 5.385 . 0 0 "[ . 1]" 1
845 1 172 THR H 1 172 THR HG1 4.800 . 6.300 3.776 2.279 4.482 . 0 0 "[ . 1]" 1
846 1 172 THR H 1 173 LYS H 5.000 . 6.500 4.184 3.679 4.409 . 0 0 "[ . 1]" 1
847 1 172 THR H 1 187 VAL QG 4.800 . 6.300 4.957 4.373 5.234 . 0 0 "[ . 1]" 1
848 1 172 THR H 1 189 LEU QD 4.800 . 6.300 4.797 4.013 5.720 . 0 0 "[ . 1]" 1
849 1 172 THR HG1 1 173 LYS H 4.800 . 6.300 3.361 2.503 4.962 . 0 0 "[ . 1]" 1
850 1 172 THR HG1 1 189 LEU QD 4.800 . 6.300 4.319 3.359 5.062 . 0 0 "[ . 1]" 1
851 1 173 LYS H 1 187 VAL QG 4.800 . 6.300 4.772 3.943 5.684 . 0 0 "[ . 1]" 1
852 1 173 LYS H 1 189 LEU QD 4.800 . 6.300 5.084 2.696 5.912 . 0 0 "[ . 1]" 1
853 1 175 GLY H 1 176 LEU QD 4.800 . 6.300 4.552 3.733 5.636 . 0 0 "[ . 1]" 1
854 1 175 GLY H 1 186 ALA H 4.000 . 4.050 3.556 3.383 3.777 . 0 0 "[ . 1]" 1
855 1 175 GLY H 1 187 VAL H 3.600 . 5.100 4.312 2.624 5.050 . 0 0 "[ . 1]" 1
856 1 175 GLY H 1 187 VAL QG 4.800 . 6.300 4.269 3.464 4.654 . 0 0 "[ . 1]" 1
857 1 175 GLY H 1 188 SER H 2.900 . 4.450 3.010 2.576 3.425 . 0 0 "[ . 1]" 1
858 1 175 GLY H 1 223 VAL QG 4.800 . 6.300 5.660 5.385 6.420 0.120 10 0 "[ . 1]" 1
859 1 175 GLY H 1 226 ILE MD 4.800 . 6.300 4.269 3.950 5.080 . 0 0 "[ . 1]" 1
860 1 176 LEU H 1 176 LEU QD 4.800 . 6.300 2.365 2.071 3.889 . 0 0 "[ . 1]" 1
861 1 176 LEU H 1 177 PHE H 4.000 . 5.500 4.268 4.110 4.410 . 0 0 "[ . 1]" 1
862 1 176 LEU H 1 186 ALA H 5.000 . 6.500 4.726 4.366 5.332 . 0 0 "[ . 1]" 1
863 1 176 LEU H 1 223 VAL QG 4.800 . 6.300 5.260 4.489 6.006 . 0 0 "[ . 1]" 1
864 1 176 LEU QD 1 177 PHE H 4.800 . 6.300 3.911 2.378 4.289 . 0 0 "[ . 1]" 1
865 1 176 LEU QD 1 178 LYS H 4.800 . 6.300 5.164 3.218 6.091 . 0 0 "[ . 1]" 1
866 1 176 LEU QD 1 183 THR H 4.800 . 6.300 5.799 5.153 6.369 0.069 3 0 "[ . 1]" 1
867 1 176 LEU QD 1 184 ILE H 4.800 . 6.300 4.669 3.034 5.334 . 0 0 "[ . 1]" 1
868 1 176 LEU QD 1 185 GLY H 4.800 . 6.300 4.986 3.436 5.660 . 0 0 "[ . 1]" 1
869 1 176 LEU QD 1 186 ALA H 4.800 . 6.300 4.536 3.952 4.729 . 0 0 "[ . 1]" 1
870 1 177 PHE H 1 178 LYS H 5.000 . 6.500 4.333 4.217 4.455 . 0 0 "[ . 1]" 1
871 1 177 PHE H 1 184 ILE H 3.600 . 4.050 3.153 2.697 3.615 . 0 0 "[ . 1]" 1
872 1 177 PHE H 1 184 ILE MD 4.800 . 6.300 4.625 3.986 5.300 . 0 0 "[ . 1]" 1
873 1 177 PHE H 1 186 ALA H 5.000 . 6.500 4.677 4.152 5.486 . 0 0 "[ . 1]" 1
874 1 178 LYS H 1 179 THR H 5.000 . 6.500 4.443 4.081 4.566 . 0 0 "[ . 1]" 1
875 1 178 LYS H 1 179 THR HG1 4.800 . 6.300 5.323 4.354 6.353 0.053 4 0 "[ . 1]" 1
876 1 178 LYS H 1 184 ILE H 5.000 . 6.500 5.071 4.780 5.240 . 0 0 "[ . 1]" 1
877 1 178 LYS H 1 184 ILE MD 4.800 . 6.300 5.678 4.937 6.520 0.220 1 0 "[ . 1]" 1
878 1 179 THR H 1 179 THR HG1 4.800 . 6.300 2.954 2.456 3.582 . 0 0 "[ . 1]" 1
879 1 179 THR H 1 181 ALA H 5.000 . 6.500 4.547 4.132 4.943 . 0 0 "[ . 1]" 1
880 1 179 THR H 1 182 GLY H 3.600 . 5.100 3.682 3.119 4.372 . 0 0 "[ . 1]" 1
881 1 179 THR H 1 183 THR H 5.000 . 6.500 4.489 3.812 4.838 . 0 0 "[ . 1]" 1
882 1 179 THR H 1 184 ILE H 5.000 . 6.500 4.417 3.782 5.115 . 0 0 "[ . 1]" 1
883 1 179 THR H 1 184 ILE MD 4.800 . 6.300 4.508 3.668 5.729 . 0 0 "[ . 1]" 1
884 1 179 THR HG1 1 181 ALA H 4.800 . 6.300 5.072 3.304 6.051 . 0 0 "[ . 1]" 1
885 1 179 THR HG1 1 182 GLY H 4.800 . 6.300 4.434 2.209 5.322 . 0 0 "[ . 1]" 1
886 1 179 THR HG1 1 183 THR H 4.800 . 6.300 5.167 3.406 6.371 0.071 3 0 "[ . 1]" 1
887 1 179 THR HG1 1 184 ILE H 4.800 . 6.300 3.836 2.720 5.551 . 0 0 "[ . 1]" 1
888 1 179 THR HG1 1 184 ILE MD 4.800 . 6.300 2.776 2.281 3.095 . 0 0 "[ . 1]" 1
889 1 181 ALA H 1 182 GLY H 2.300 . 3.750 2.301 1.543 2.938 . 0 0 "[ . 1]" 1
890 1 181 ALA H 1 183 THR H 5.000 . 6.500 5.966 5.268 6.606 0.106 7 0 "[ . 1]" 1
891 1 181 ALA H 1 184 ILE MD 4.800 . 6.300 5.941 5.096 6.412 0.112 2 0 "[ . 1]" 1
892 1 182 GLY H 1 183 THR H 5.000 . 6.500 4.000 3.411 4.437 . 0 0 "[ . 1]" 1
893 1 182 GLY H 1 184 ILE MD 4.800 . 6.300 5.244 4.245 6.411 0.111 4 0 "[ . 1]" 1
894 1 183 THR H 1 184 ILE H 4.000 . 5.500 4.244 4.104 4.541 . 0 0 "[ . 1]" 1
895 1 183 THR H 1 184 ILE MD 4.800 . 6.300 4.812 3.684 6.336 0.036 2 0 "[ . 1]" 1
896 1 184 ILE H 1 184 ILE MD 4.800 . 6.300 2.762 1.951 3.828 . 0 0 "[ . 1]" 1
897 1 184 ILE H 1 185 GLY H 5.000 . 6.500 4.435 4.244 4.557 . 0 0 "[ . 1]" 1
898 1 185 GLY H 1 186 ALA H 5.000 . 6.500 4.388 4.301 4.595 . 0 0 "[ . 1]" 1
899 1 186 ALA H 1 187 VAL QG 4.800 . 6.300 5.078 3.456 5.417 . 0 0 "[ . 1]" 1
900 1 186 ALA H 1 188 SER H 5.000 . 6.500 5.254 4.535 5.898 . 0 0 "[ . 1]" 1
901 1 186 ALA H 1 223 VAL QG 4.800 . 6.300 5.319 4.874 5.927 . 0 0 "[ . 1]" 1
902 1 186 ALA H 1 226 ILE H 5.000 . 6.500 5.647 3.121 6.679 0.179 6 0 "[ . 1]" 1
903 1 186 ALA H 1 226 ILE MD . . 4.450 4.347 4.007 4.596 0.146 7 0 "[ . 1]" 1
904 1 187 VAL H 1 189 LEU H 5.000 . 6.500 6.406 6.027 6.593 0.093 7 0 "[ . 1]" 1
905 1 187 VAL H 1 200 ILE MD 4.800 . 6.300 5.057 4.453 6.437 0.137 10 0 "[ . 1]" 1
906 1 187 VAL H 1 223 VAL QG 4.800 . 6.300 4.572 4.007 5.338 . 0 0 "[ . 1]" 1
907 1 187 VAL H 1 224 SER H 3.600 . 4.250 3.975 3.716 4.226 . 0 0 "[ . 1]" 1
908 1 187 VAL H 1 225 ALA H 5.000 . 6.500 5.396 4.974 5.968 . 0 0 "[ . 1]" 1
909 1 187 VAL H 1 226 ILE H 4.000 . 5.500 4.019 3.345 5.556 0.056 10 0 "[ . 1]" 1
910 1 187 VAL H 1 226 ILE MD 4.800 . 6.300 3.348 2.647 4.914 . 0 0 "[ . 1]" 1
911 1 187 VAL QG 1 188 SER H 4.800 . 6.300 3.011 2.482 3.307 . 0 0 "[ . 1]" 1
912 1 187 VAL QG 1 189 LEU H 4.800 . 6.300 3.502 2.809 3.999 . 0 0 "[ . 1]" 1
913 1 187 VAL QG 1 189 LEU QD 4.800 . 6.300 3.082 2.385 3.599 . 0 0 "[ . 1]" 1
914 1 187 VAL QG 1 200 ILE MD 4.800 . 6.300 2.727 2.069 3.370 . 0 0 "[ . 1]" 1
915 1 187 VAL QG 1 212 GLY H 4.800 . 6.300 4.424 3.479 6.209 . 0 0 "[ . 1]" 1
916 1 187 VAL QG 1 223 VAL H 4.800 . 6.300 5.427 4.837 6.380 0.080 8 0 "[ . 1]" 1
917 1 187 VAL QG 1 224 SER H 4.800 . 6.300 2.575 2.134 3.011 . 0 0 "[ . 1]" 1
918 1 187 VAL QG 1 225 ALA H 4.800 . 6.300 4.555 4.309 5.385 . 0 0 "[ . 1]" 1
919 1 187 VAL QG 1 226 ILE H 4.800 . 6.300 3.989 2.635 4.966 . 0 0 "[ . 1]" 1
920 1 187 VAL QG 1 226 ILE MD 4.800 . 6.300 3.204 2.026 3.949 . 0 0 "[ . 1]" 1
921 1 187 VAL QG 1 227 ALA H 4.800 . 6.300 4.971 4.617 6.014 . 0 0 "[ . 1]" 1
922 1 188 SER H 1 223 VAL QG 4.800 . 6.300 4.149 3.745 4.663 . 0 0 "[ . 1]" 1
923 1 188 SER H 1 224 SER H 5.000 . 6.500 5.318 5.004 5.912 . 0 0 "[ . 1]" 1
924 1 189 LEU H 1 189 LEU QD 4.800 . 6.300 3.868 3.065 4.071 . 0 0 "[ . 1]" 1
925 1 189 LEU H 1 190 ASP H 5.000 . 6.500 4.302 4.018 4.512 . 0 0 "[ . 1]" 1
926 1 189 LEU H 1 222 TYR H 5.000 . 6.500 4.953 4.010 6.559 0.059 8 0 "[ . 1]" 1
927 1 189 LEU H 1 223 VAL H 5.000 . 6.500 4.938 4.620 5.167 . 0 0 "[ . 1]" 1
928 1 189 LEU H 1 223 VAL QG 4.800 . 6.300 2.484 1.718 3.689 0.082 4 0 "[ . 1]" 1
929 1 189 LEU H 1 224 SER H . . 4.450 4.476 3.654 4.908 0.458 9 0 "[ . 1]" 1
930 1 189 LEU QD 1 190 ASP H 4.800 . 6.300 2.637 1.811 3.363 . 0 0 "[ . 1]" 1
931 1 189 LEU QD 1 191 PHE H 4.800 . 6.300 3.886 2.743 5.453 . 0 0 "[ . 1]" 1
932 1 189 LEU QD 1 192 SER H 4.800 . 6.300 4.947 4.053 5.906 . 0 0 "[ . 1]" 1
933 1 189 LEU QD 1 222 TYR H 4.800 . 6.300 4.062 2.455 4.826 . 0 0 "[ . 1]" 1
934 1 190 ASP H 1 191 PHE H 5.000 . 6.500 4.316 4.036 4.674 . 0 0 "[ . 1]" 1
935 1 190 ASP H 1 222 TYR H 5.000 . 6.500 5.371 4.406 6.534 0.034 4 0 "[ . 1]" 1
936 1 191 PHE H 1 192 SER H 5.000 . 6.500 4.334 4.298 4.402 . 0 0 "[ . 1]" 1
937 1 191 PHE H 1 192 SER HG 4.800 . 6.300 6.082 4.710 6.462 0.162 9 0 "[ . 1]" 1
938 1 191 PHE H 1 216 VAL QG 4.800 . 6.300 5.479 4.648 6.064 . 0 0 "[ . 1]" 1
939 1 191 PHE H 1 223 VAL QG 4.800 . 6.300 5.432 4.597 6.189 . 0 0 "[ . 1]" 1
940 1 192 SER H 1 192 SER HG 4.800 . 6.300 2.790 2.155 4.151 . 0 0 "[ . 1]" 1
941 1 195 THR H 1 195 THR HG1 4.800 . 6.300 3.803 2.910 4.661 . 0 0 "[ . 1]" 1
942 1 195 THR H 1 196 SER H 5.000 . 6.500 4.464 4.245 4.641 . 0 0 "[ . 1]" 1
943 1 195 THR HG1 1 196 SER H 4.800 . 6.300 4.454 2.393 5.424 . 0 0 "[ . 1]" 1
944 1 196 SER H 1 197 GLY H 5.000 . 6.500 4.383 4.188 4.577 . 0 0 "[ . 1]" 1
945 1 197 GLY H 1 198 SER H 2.300 . 3.750 2.113 1.819 2.372 . 0 0 "[ . 1]" 1
946 1 197 GLY H 1 198 SER HG 4.800 . 6.300 4.230 3.787 4.695 . 0 0 "[ . 1]" 1
947 1 197 GLY H 1 210 LEU QD 4.800 . 6.300 4.836 3.986 5.846 . 0 0 "[ . 1]" 1
948 1 197 GLY H 1 211 TYR H . . 4.850 4.429 3.850 5.012 0.162 9 0 "[ . 1]" 1
949 1 198 SER H 1 198 SER HG 4.800 . 6.300 2.389 2.173 2.599 . 0 0 "[ . 1]" 1
950 1 198 SER H 1 210 LEU QD 4.800 . 6.300 4.824 4.018 5.743 . 0 0 "[ . 1]" 1
951 1 198 SER H 1 211 TYR H 5.000 . 6.500 4.192 3.668 4.778 . 0 0 "[ . 1]" 1
952 1 198 SER HG 1 211 TYR H 4.800 . 6.300 5.809 5.206 6.228 . 0 0 "[ . 1]" 1
953 1 200 ILE H 1 200 ILE MD 4.800 . 6.300 3.833 3.627 3.992 . 0 0 "[ . 1]" 1
954 1 200 ILE H 1 201 ILE H 5.000 . 6.500 4.251 4.153 4.412 . 0 0 "[ . 1]" 1
955 1 200 ILE H 1 201 ILE MD 4.800 . 6.300 5.403 4.964 6.157 . 0 0 "[ . 1]" 1
956 1 200 ILE H 1 207 VAL QG 4.800 . 6.300 4.406 3.352 5.392 . 0 0 "[ . 1]" 1
957 1 200 ILE H 1 208 VAL H 5.000 . 6.500 5.103 4.920 5.263 . 0 0 "[ . 1]" 1
958 1 200 ILE H 1 208 VAL QG 4.800 . 6.300 5.027 4.292 5.286 . 0 0 "[ . 1]" 1
959 1 200 ILE H 1 209 GLY H 3.600 . 5.100 3.687 3.186 4.004 . 0 0 "[ . 1]" 1
960 1 200 ILE H 1 210 LEU H 4.000 . 5.500 3.988 3.540 4.409 . 0 0 "[ . 1]" 1
961 1 200 ILE H 1 210 LEU QD 4.800 . 6.300 3.328 2.790 4.595 . 0 0 "[ . 1]" 1
962 1 200 ILE H 1 211 TYR H 5.000 . 6.500 3.975 3.586 4.526 . 0 0 "[ . 1]" 1
963 1 200 ILE MD 1 201 ILE H 4.800 . 6.300 5.416 5.296 5.587 . 0 0 "[ . 1]" 1
964 1 200 ILE MD 1 207 VAL QG 4.800 . 6.300 4.719 3.808 5.990 . 0 0 "[ . 1]" 1
965 1 200 ILE MD 1 208 VAL H 4.800 . 6.300 6.075 4.826 6.388 0.088 9 0 "[ . 1]" 1
966 1 200 ILE MD 1 209 GLY H 4.800 . 6.300 4.743 4.406 5.067 . 0 0 "[ . 1]" 1
967 1 200 ILE MD 1 210 LEU H 4.800 . 6.300 3.248 2.521 3.914 . 0 0 "[ . 1]" 1
968 1 200 ILE MD 1 212 GLY H 4.800 . 6.300 3.955 3.240 4.418 . 0 0 "[ . 1]" 1
969 1 200 ILE MD 1 226 ILE H 4.800 . 6.300 4.729 3.731 5.042 . 0 0 "[ . 1]" 1
970 1 200 ILE MD 1 226 ILE MD 4.800 . 6.300 3.361 2.684 3.849 . 0 0 "[ . 1]" 1
971 1 200 ILE MD 1 227 ALA H 4.800 . 6.300 3.074 2.604 3.602 . 0 0 "[ . 1]" 1
972 1 200 ILE MD 1 228 GLN H 4.800 . 6.300 5.814 5.238 6.506 0.206 9 0 "[ . 1]" 1
973 1 201 ILE H 1 201 ILE MD 4.800 . 6.300 3.818 3.670 4.053 . 0 0 "[ . 1]" 1
974 1 201 ILE H 1 202 ASP H 5.000 . 6.500 4.442 4.372 4.511 . 0 0 "[ . 1]" 1
975 1 201 ILE H 1 207 VAL QG 4.800 . 6.300 4.542 3.852 5.247 . 0 0 "[ . 1]" 1
976 1 201 ILE H 1 208 VAL H 5.000 . 6.500 4.485 4.228 4.767 . 0 0 "[ . 1]" 1
977 1 201 ILE H 1 208 VAL QG 4.800 . 6.300 4.634 3.424 5.551 . 0 0 "[ . 1]" 1
978 1 201 ILE H 1 209 GLY H 5.000 . 6.500 5.140 4.990 5.231 . 0 0 "[ . 1]" 1
979 1 201 ILE MD 1 202 ASP H 4.800 . 6.300 4.667 4.048 5.321 . 0 0 "[ . 1]" 1
980 1 201 ILE MD 1 205 GLY H 4.800 . 6.300 5.436 4.062 6.454 0.154 7 0 "[ . 1]" 1
981 1 201 ILE MD 1 208 VAL H 4.800 . 6.300 5.470 4.509 6.226 . 0 0 "[ . 1]" 1
982 1 201 ILE MD 1 208 VAL QG 4.800 . 6.300 4.751 2.584 6.134 . 0 0 "[ . 1]" 1
983 1 202 ASP H 1 203 LYS H 5.000 . 6.500 4.514 4.424 4.619 . 0 0 "[ . 1]" 1
984 1 202 ASP H 1 204 LYS H 5.000 . 6.500 4.734 4.239 5.163 . 0 0 "[ . 1]" 1
985 1 202 ASP H 1 205 GLY H 3.600 . 5.100 3.669 3.383 4.139 . 0 0 "[ . 1]" 1
986 1 202 ASP H 1 206 LYS H 2.300 . 3.750 3.050 1.976 3.754 0.004 6 0 "[ . 1]" 1
987 1 202 ASP H 1 207 VAL QG 4.800 . 6.300 3.783 2.090 5.153 . 0 0 "[ . 1]" 1
988 1 202 ASP H 1 208 VAL H 3.600 . 5.100 3.736 3.243 4.387 . 0 0 "[ . 1]" 1
989 1 202 ASP H 1 208 VAL QG 4.800 . 6.300 3.786 2.923 4.723 . 0 0 "[ . 1]" 1
990 1 203 LYS H 1 204 LYS H 2.900 . 4.450 2.749 2.668 2.964 . 0 0 "[ . 1]" 1
991 1 203 LYS H 1 205 GLY H 5.000 . 6.500 4.115 3.959 4.216 . 0 0 "[ . 1]" 1
992 1 203 LYS H 1 206 LYS H 5.000 . 6.500 5.158 4.829 5.466 . 0 0 "[ . 1]" 1
993 1 204 LYS H 1 205 GLY H 2.300 . 3.750 2.560 2.394 2.695 . 0 0 "[ . 1]" 1
994 1 204 LYS H 1 206 LYS H 5.000 . 6.500 3.633 3.205 3.940 . 0 0 "[ . 1]" 1
995 1 205 GLY H 1 206 LYS H 3.600 . 5.100 2.356 2.158 2.598 . 0 0 "[ . 1]" 1
996 1 206 LYS H 1 207 VAL H 5.000 . 6.500 4.528 4.228 4.659 . 0 0 "[ . 1]" 1
997 1 206 LYS H 1 207 VAL QG 4.800 . 6.300 4.745 4.111 5.694 . 0 0 "[ . 1]" 1
998 1 206 LYS H 1 208 VAL QG 4.800 . 6.300 4.771 3.923 6.583 0.283 8 0 "[ . 1]" 1
999 1 207 VAL H 1 208 VAL H 2.900 . 4.450 3.956 2.634 4.394 . 0 0 "[ . 1]" 1
1000 1 207 VAL H 1 208 VAL QG 4.800 . 6.300 4.004 2.915 5.404 . 0 0 "[ . 1]" 1
1001 1 207 VAL H 1 209 GLY H 5.000 . 6.500 5.437 3.416 5.810 . 0 0 "[ . 1]" 1
1002 1 207 VAL QG 1 208 VAL H 4.800 . 6.300 2.662 1.835 3.013 . 0 0 "[ . 1]" 1
1003 1 207 VAL QG 1 208 VAL QG 4.800 . 6.300 3.557 1.656 3.993 0.144 8 0 "[ . 1]" 1
1004 1 207 VAL QG 1 209 GLY H 4.800 . 6.300 2.361 1.732 3.693 0.068 9 0 "[ . 1]" 1
1005 1 207 VAL QG 1 210 LEU H 4.800 . 6.300 5.053 4.563 6.274 . 0 0 "[ . 1]" 1
1006 1 207 VAL QG 1 229 THR H 4.800 . 6.300 4.856 3.793 5.915 . 0 0 "[ . 1]" 1
1007 1 208 VAL H 1 209 GLY H 3.600 . 5.100 2.471 2.126 2.721 . 0 0 "[ . 1]" 1
1008 1 208 VAL QG 1 209 GLY H 4.800 . 6.300 3.417 3.128 3.670 . 0 0 "[ . 1]" 1
1009 1 208 VAL QG 1 210 LEU H 4.800 . 6.300 5.444 3.740 6.199 . 0 0 "[ . 1]" 1
1010 1 208 VAL QG 1 229 THR H 4.800 . 6.300 5.023 3.717 6.300 0.000 4 0 "[ . 1]" 1
1011 1 209 GLY H 1 210 LEU H 5.000 . 6.500 4.299 3.893 4.499 . 0 0 "[ . 1]" 1
1012 1 209 GLY H 1 210 LEU QD 4.800 . 6.300 4.786 4.116 5.365 . 0 0 "[ . 1]" 1
1013 1 210 LEU H 1 210 LEU QD 4.800 . 6.300 3.476 1.886 3.859 . 0 0 "[ . 1]" 1
1014 1 210 LEU H 1 211 TYR H 5.000 . 6.500 4.382 4.135 4.472 . 0 0 "[ . 1]" 1
1015 1 210 LEU H 1 227 ALA H 3.600 . 4.050 3.598 3.252 3.990 . 0 0 "[ . 1]" 1
1016 1 210 LEU H 1 228 GLN H 5.000 . 6.500 4.665 4.176 5.228 . 0 0 "[ . 1]" 1
1017 1 210 LEU QD 1 211 TYR H 4.800 . 6.300 3.434 3.192 3.775 . 0 0 "[ . 1]" 1
1018 1 210 LEU QD 1 227 ALA H 4.800 . 6.300 5.292 4.130 5.633 . 0 0 "[ . 1]" 1
1019 1 210 LEU QD 1 228 GLN H 4.800 . 6.300 5.520 4.545 6.303 0.003 10 0 "[ . 1]" 1
1020 1 211 TYR H 1 212 GLY H 5.000 . 6.500 4.449 4.313 4.612 . 0 0 "[ . 1]" 1
1021 1 211 TYR H 1 227 ALA H 5.000 . 6.500 4.991 4.736 5.161 . 0 0 "[ . 1]" 1
1022 1 212 GLY H 1 213 ASN H 4.000 . 5.500 3.933 2.451 4.561 . 0 0 "[ . 1]" 1
1023 1 212 GLY H 1 225 ALA H . . 4.850 4.317 3.393 5.111 0.261 10 0 "[ . 1]" 1
1024 1 212 GLY H 1 226 ILE H 3.600 . 5.100 4.587 3.984 5.129 0.029 5 0 "[ . 1]" 1
1025 1 213 ASN H 1 214 GLY H 4.000 . 5.500 4.181 3.982 4.501 . 0 0 "[ . 1]" 1
1026 1 214 GLY H 1 215 VAL H 3.600 . 5.100 4.240 3.964 4.588 . 0 0 "[ . 1]" 1
1027 1 214 GLY H 1 215 VAL QG 4.800 . 6.300 5.112 4.916 5.312 . 0 0 "[ . 1]" 1
1028 1 214 GLY H 1 224 SER H 5.000 . 6.500 6.607 6.339 6.718 0.218 4 0 "[ . 1]" 1
1029 1 214 GLY H 1 224 SER HG 4.800 . 6.300 4.245 2.570 6.316 0.016 10 0 "[ . 1]" 1
1030 1 214 GLY H 1 225 ALA H 3.600 . 5.100 3.861 3.038 4.312 . 0 0 "[ . 1]" 1
1031 1 215 VAL H 1 216 VAL QG 4.800 . 6.300 4.969 4.786 5.355 . 0 0 "[ . 1]" 1
1032 1 215 VAL H 1 223 VAL H . . 4.050 3.602 3.407 3.855 . 0 0 "[ . 1]" 1
1033 1 215 VAL H 1 223 VAL QG 4.800 . 6.300 3.980 2.140 4.454 . 0 0 "[ . 1]" 1
1034 1 215 VAL H 1 224 SER H 5.000 . 6.500 4.833 4.560 5.038 . 0 0 "[ . 1]" 1
1035 1 215 VAL H 1 225 ALA H 5.000 . 6.500 5.087 4.645 5.625 . 0 0 "[ . 1]" 1
1036 1 215 VAL QG 1 216 VAL H 4.800 . 6.300 1.944 1.774 2.122 0.026 3 0 "[ . 1]" 1
1037 1 215 VAL QG 1 217 THR H 4.800 . 6.300 3.527 3.134 4.157 . 0 0 "[ . 1]" 1
1038 1 215 VAL QG 1 220 GLY H 4.800 . 6.300 6.041 5.595 6.434 0.134 6 0 "[ . 1]" 1
1039 1 215 VAL QG 1 223 VAL H 4.800 . 6.300 4.012 3.618 4.331 . 0 0 "[ . 1]" 1
1040 1 215 VAL QG 1 223 VAL QG 4.800 . 6.300 3.747 2.521 4.426 . 0 0 "[ . 1]" 1
1041 1 216 VAL H 1 223 VAL H 5.000 . 6.500 4.903 4.752 5.179 . 0 0 "[ . 1]" 1
1042 1 216 VAL QG 1 217 THR H 4.800 . 6.300 3.256 2.888 3.685 . 0 0 "[ . 1]" 1
1043 1 216 VAL QG 1 220 GLY H 4.800 . 6.300 3.309 2.219 4.488 . 0 0 "[ . 1]" 1
1044 1 216 VAL QG 1 221 ALA H 4.800 . 6.300 3.498 2.036 4.389 . 0 0 "[ . 1]" 1
1045 1 216 VAL QG 1 222 TYR H 4.800 . 6.300 3.908 3.026 4.764 . 0 0 "[ . 1]" 1
1046 1 216 VAL QG 1 223 VAL H 4.800 . 6.300 4.162 3.621 4.688 . 0 0 "[ . 1]" 1
1047 1 217 THR H 1 217 THR HG1 4.800 . 6.300 3.530 2.269 4.719 . 0 0 "[ . 1]" 1
1048 1 217 THR H 1 220 GLY H 4.000 . 5.500 4.352 3.936 4.856 . 0 0 "[ . 1]" 1
1049 1 217 THR H 1 221 ALA H 3.600 . 4.450 3.418 2.729 4.163 . 0 0 "[ . 1]" 1
1050 1 217 THR H 1 222 TYR H 5.000 . 6.500 4.783 4.546 4.979 . 0 0 "[ . 1]" 1
1051 1 217 THR H 1 223 VAL H 2.900 . 4.450 3.304 2.769 4.462 0.012 6 0 "[ . 1]" 1
1052 1 217 THR H 1 223 VAL QG 4.800 . 6.300 3.381 2.697 4.126 . 0 0 "[ . 1]" 1
1053 1 217 THR HG1 1 220 GLY H 4.800 . 6.300 6.393 6.142 6.635 0.335 10 0 "[ . 1]" 1
1054 1 217 THR HG1 1 221 ALA H 4.800 . 6.300 5.653 4.270 6.407 0.107 10 0 "[ . 1]" 1
1055 1 219 SER H 1 220 GLY H 2.900 . 4.450 2.722 2.482 2.946 . 0 0 "[ . 1]" 1
1056 1 219 SER H 1 221 ALA H 4.000 . 5.500 4.341 3.408 4.923 . 0 0 "[ . 1]" 1
1057 1 220 GLY H 1 221 ALA H 2.300 . 3.750 2.257 1.848 2.477 . 0 0 "[ . 1]" 1
1058 1 221 ALA H 1 222 TYR H 5.000 . 6.500 4.389 3.773 4.635 . 0 0 "[ . 1]" 1
1059 1 221 ALA H 1 223 VAL QG 4.800 . 6.300 4.773 4.170 5.374 . 0 0 "[ . 1]" 1
1060 1 222 TYR H 1 223 VAL QG 4.800 . 6.300 4.049 3.717 4.352 . 0 0 "[ . 1]" 1
1061 1 223 VAL QG 1 224 SER H 4.800 . 6.300 2.726 2.077 3.302 . 0 0 "[ . 1]" 1
1062 1 223 VAL QG 1 225 ALA H 4.800 . 6.300 4.890 4.415 5.190 . 0 0 "[ . 1]" 1
1063 1 224 SER H 1 225 ALA H 5.000 . 6.500 4.367 4.198 4.511 . 0 0 "[ . 1]" 1
1064 1 224 SER H 1 226 ILE H 5.000 . 6.500 6.088 4.459 6.759 0.259 8 0 "[ . 1]" 1
1065 1 225 ALA H 1 226 ILE H 3.600 . 5.100 4.175 2.279 4.706 . 0 0 "[ . 1]" 1
1066 1 226 ILE H 1 226 ILE MD 4.800 . 6.300 3.952 3.638 4.766 . 0 0 "[ . 1]" 1
1067 1 226 ILE H 1 227 ALA H 4.000 . 5.500 4.235 3.597 4.582 . 0 0 "[ . 1]" 1
1068 1 226 ILE MD 1 227 ALA H 4.800 . 6.300 5.353 4.700 5.643 . 0 0 "[ . 1]" 1
1069 1 227 ALA H 1 228 GLN H 5.000 . 6.500 4.523 4.220 4.606 . 0 0 "[ . 1]" 1
1070 1 228 GLN H 1 229 THR H 5.000 . 6.500 4.456 4.397 4.576 . 0 0 "[ . 1]" 1
1071 1 229 THR H 1 229 THR HG1 4.800 . 6.300 2.653 2.227 4.404 . 0 0 "[ . 1]" 1
1072 1 229 THR H 1 230 GLU H 5.000 . 6.500 4.363 4.233 4.613 . 0 0 "[ . 1]" 1
1073 1 230 GLU H 1 231 LYS H 2.900 . 4.450 2.892 1.760 4.199 0.040 9 0 "[ . 1]" 1
1074 1 231 LYS H 1 232 SER H 3.600 . 5.100 3.175 2.363 4.215 . 0 0 "[ . 1]" 1
1075 1 231 LYS H 1 232 SER HG 4.800 . 6.300 5.367 4.598 6.397 0.097 6 0 "[ . 1]" 1
1076 1 233 ILE H 1 233 ILE MD 4.800 . 6.300 4.104 2.698 4.581 . 0 0 "[ . 1]" 1
1077 1 233 ILE H 1 234 GLU H 2.900 . 4.450 3.045 1.876 4.265 . 0 0 "[ . 1]" 1
1078 1 233 ILE MD 1 234 GLU H 4.800 . 6.300 4.694 3.645 5.673 . 0 0 "[ . 1]" 1
1079 1 233 ILE MD 1 235 ASP H 4.800 . 6.300 5.399 4.095 6.528 0.228 8 0 "[ . 1]" 1
1080 1 235 ASP H 1 236 ASN H 2.900 . 4.450 2.462 1.904 2.829 . 0 0 "[ . 1]" 1
1081 1 238 GLU H 1 239 ILE H 2.900 . 4.450 2.825 2.301 4.043 . 0 0 "[ . 1]" 1
1082 1 239 ILE H 1 239 ILE MD 4.800 . 6.300 4.089 2.034 5.135 . 0 0 "[ . 1]" 1
1083 1 239 ILE H 1 240 GLU H 2.900 . 4.450 2.577 1.866 3.636 . 0 0 "[ . 1]" 1
1084 1 239 ILE MD 1 240 GLU H 4.800 . 6.300 4.742 3.785 5.740 . 0 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 145
_Distance_constraint_stats_list.Viol_count 320
_Distance_constraint_stats_list.Viol_total 758.816
_Distance_constraint_stats_list.Viol_max 1.852
_Distance_constraint_stats_list.Viol_rms 0.1802
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0523
_Distance_constraint_stats_list.Viol_average_violations_only 0.2371
_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 4 ALA 1.931 0.261 2 0 "[ . 1]"
1 5 ASP 1.223 0.311 1 0 "[ . 1]"
1 6 LEU 1.175 0.334 9 0 "[ . 1]"
1 7 GLU 1.070 0.324 10 0 "[ . 1]"
1 8 LEU 0.066 0.066 9 0 "[ . 1]"
1 9 GLU 5.378 1.120 9 4 "[-* . *+1]"
1 10 ARG 9.157 1.852 9 4 "[-* . *+1]"
1 11 ALA 0.024 0.024 10 0 "[ . 1]"
1 12 ALA 0.054 0.054 7 0 "[ . 1]"
1 13 ASP 0.720 0.218 9 0 "[ . 1]"
1 14 VAL 0.232 0.126 5 0 "[ . 1]"
1 15 LYS 0.000 0.000 . 0 "[ . 1]"
1 16 TRP 0.126 0.126 3 0 "[ . 1]"
1 21 GLU 1.864 0.894 10 1 "[ . +]"
1 22 ILE 0.027 0.027 7 0 "[ . 1]"
1 23 SER 0.027 0.027 7 0 "[ . 1]"
1 24 GLY 0.754 0.241 7 0 "[ . 1]"
1 25 SER 0.000 0.000 . 0 "[ . 1]"
1 28 ILE 0.019 0.019 7 0 "[ . 1]"
1 29 LEU 0.729 0.271 9 0 "[ . 1]"
1 31 ILE 0.561 0.313 4 0 "[ . 1]"
1 32 THR 1.625 0.256 2 0 "[ . 1]"
1 34 SER 0.477 0.149 5 0 "[ . 1]"
1 39 MET 0.477 0.149 5 0 "[ . 1]"
1 40 SER 0.000 0.000 . 0 "[ . 1]"
1 41 ILE 0.729 0.271 9 0 "[ . 1]"
1 42 LYS 1.577 0.256 2 0 "[ . 1]"
1 51 GLY 1.740 0.368 3 0 "[ . 1]"
1 64 VAL 4.496 0.508 9 1 "[ . +1]"
1 65 LEU 4.061 0.443 5 0 "[ . 1]"
1 66 TRP 4.868 0.625 7 2 "[- . + 1]"
1 67 ASP 3.800 0.469 3 0 "[ . 1]"
1 68 VAL 0.276 0.257 7 0 "[ . 1]"
1 78 GLU 1.035 0.469 3 0 "[ . 1]"
1 79 LEU 5.387 1.380 9 2 "[ . - +1]"
1 80 GLU 3.041 0.443 4 0 "[ . 1]"
1 84 TYR 12.795 1.852 9 4 "[-* . *+1]"
1 88 GLN 0.450 0.227 10 0 "[ . 1]"
1 89 LYS 4.655 1.484 7 3 "[- . + *]"
1 94 TYR 4.077 1.484 7 3 "[- . + *]"
1 97 ILE 0.836 0.355 8 0 "[ . 1]"
1 99 ALA 2.267 0.443 8 0 "[ . 1]"
1 100 GLY 0.000 0.000 . 0 "[ . 1]"
1 102 TYR 5.387 1.380 9 2 "[ . - +1]"
1 107 PHE 0.000 0.000 . 0 "[ . 1]"
1 108 HIS 0.977 0.370 9 0 "[ . 1]"
1 109 THR 2.333 0.355 8 0 "[ . 1]"
1 110 MET 0.073 0.073 9 0 "[ . 1]"
1 111 TRP 0.789 0.157 3 0 "[ . 1]"
1 112 HIS 1.986 0.439 9 0 "[ . 1]"
1 113 VAL 2.267 0.443 8 0 "[ . 1]"
1 115 ARG 0.000 0.000 . 0 "[ . 1]"
1 118 VAL 2.006 0.261 2 0 "[ . 1]"
1 119 LEU 2.852 0.334 9 0 "[ . 1]"
1 120 MET 0.000 0.000 . 0 "[ . 1]"
1 121 HIS 2.803 0.625 7 2 "[- . + 1]"
1 122 LYS 10.621 0.508 9 1 "[ . +1]"
1 125 ARG 0.487 0.153 2 0 "[ . 1]"
1 126 ILE 0.066 0.066 9 0 "[ . 1]"
1 127 GLU 8.430 1.685 4 5 "[ *+.-* *]"
1 133 VAL 0.789 0.157 3 0 "[ . 1]"
1 136 ASP 0.131 0.131 2 0 "[ . 1]"
1 137 LEU 1.497 0.285 8 0 "[ . 1]"
1 138 ILE 0.000 0.000 . 0 "[ . 1]"
1 140 TYR 8.430 1.685 4 5 "[ *+.-* *]"
1 144 TRP 0.977 0.370 9 0 "[ . 1]"
1 150 TRP 0.006 0.006 9 0 "[ . 1]"
1 156 VAL 0.098 0.098 2 0 "[ . 1]"
1 158 VAL 0.228 0.153 7 0 "[ . 1]"
1 159 LEU 0.920 0.269 8 0 "[ . 1]"
1 161 LEU 0.735 0.218 9 0 "[ . 1]"
1 167 PRO 0.000 0.000 . 0 "[ . 1]"
1 170 VAL 1.864 0.894 10 1 "[ . +]"
1 174 PRO 0.006 0.006 9 0 "[ . 1]"
1 176 LEU 1.574 0.277 5 0 "[ . 1]"
1 186 ALA 1.555 0.277 5 0 "[ . 1]"
1 187 VAL 1.182 0.511 9 1 "[ . +1]"
1 189 LEU 0.754 0.241 7 0 "[ . 1]"
1 196 SER 1.856 0.439 9 0 "[ . 1]"
1 198 SER 0.186 0.121 7 0 "[ . 1]"
1 200 ILE 0.098 0.098 2 0 "[ . 1]"
1 201 ILE 1.415 0.287 8 0 "[ . 1]"
1 202 ASP 0.126 0.126 3 0 "[ . 1]"
1 205 GLY 0.513 0.287 8 0 "[ . 1]"
1 210 LEU 0.073 0.073 9 0 "[ . 1]"
1 215 VAL 0.623 0.313 4 0 "[ . 1]"
1 216 VAL 0.154 0.050 3 0 "[ . 1]"
1 217 THR 0.000 0.000 . 0 "[ . 1]"
1 220 GLY 0.067 0.050 3 0 "[ . 1]"
1 221 ALA 0.074 0.049 9 0 "[ . 1]"
1 223 VAL 0.000 0.000 . 0 "[ . 1]"
1 226 ILE 0.954 0.511 9 1 "[ . +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 22 ILE MD 1 23 SER HG 6.970 . 7.670 5.901 4.639 7.697 0.027 7 0 "[ . 1]" 2
2 1 109 THR HG1 1 113 VAL MG1 6.090 . 6.700 4.164 3.675 4.824 . 0 0 "[ . 1]" 2
3 1 109 THR HG1 1 113 VAL MG2 6.090 . 6.700 3.211 1.824 4.542 . 0 0 "[ . 1]" 2
4 1 161 LEU MD1 1 198 SER HG 6.480 . 7.130 4.820 3.691 5.860 . 0 0 "[ . 1]" 2
5 1 161 LEU MD2 1 198 SER HG 6.480 . 7.130 5.899 5.054 6.684 . 0 0 "[ . 1]" 2
6 1 97 ILE MD 1 109 THR HG1 6.320 . 6.950 6.908 6.393 7.305 0.355 8 0 "[ . 1]" 2
7 1 109 THR HG1 1 137 LEU MD1 7.000 . 7.700 7.654 6.182 7.985 0.285 8 0 "[ . 1]" 2
8 1 109 THR HG1 1 137 LEU MD2 7.000 . 7.700 6.119 5.249 7.714 0.014 5 0 "[ . 1]" 2
9 1 109 THR HG1 1 138 ILE MD 5.810 . 7.368 5.644 3.895 6.809 . 0 0 "[ . 1]" 2
10 1 25 SER HG 1 189 LEU QD 5.760 . 7.318 5.755 4.955 7.165 . 0 0 "[ . 1]" 2
11 1 215 VAL MG1 1 216 VAL H 7.000 . 7.700 3.334 3.014 3.533 . 0 0 "[ . 1]" 2
12 1 215 VAL MG2 1 216 VAL H 7.000 . 7.700 1.958 1.786 2.140 0.014 3 0 "[ . 1]" 2
13 1 112 HIS NE2 1 196 SER OG 3.200 . 3.650 3.829 3.581 4.089 0.439 9 0 "[ . 1]" 2
14 1 112 HIS ND1 1 136 ASP OD2 3.200 . 3.650 3.115 2.833 3.781 0.131 2 0 "[ . 1]" 2
15 1 4 ALA H 1 89 LYS H 6.000 . 6.450 6.203 5.529 6.652 0.202 9 0 "[ . 1]" 2
16 1 4 ALA H 1 88 GLN HE21 4.600 . 5.050 4.376 3.410 5.213 0.163 5 0 "[ . 1]" 2
17 1 4 ALA H 1 88 GLN HE22 4.600 . 5.050 4.302 2.628 5.277 0.227 10 0 "[ . 1]" 2
18 1 5 ASP H 1 88 GLN HE21 5.400 . 5.850 4.153 2.981 5.069 . 0 0 "[ . 1]" 2
19 1 4 ALA H 1 118 VAL MG1 5.200 . 5.650 4.328 3.409 5.866 0.216 4 0 "[ . 1]" 2
20 1 5 ASP H 1 118 VAL MG2 5.800 . 6.250 6.040 5.327 6.434 0.184 5 0 "[ . 1]" 2
21 1 5 ASP H 1 119 LEU MD2 5.400 . 5.850 5.916 5.734 6.161 0.311 1 0 "[ . 1]" 2
22 1 6 LEU H 1 119 LEU MD2 4.600 . 5.050 4.518 4.134 4.867 . 0 0 "[ . 1]" 2
23 1 6 LEU H 1 119 LEU MD1 6.000 . 6.450 5.967 4.487 6.784 0.334 9 0 "[ . 1]" 2
24 1 6 LEU H 1 118 VAL MG2 5.200 . 5.650 5.486 5.055 5.786 0.136 1 0 "[ . 1]" 2
25 1 6 LEU H 1 120 MET HG3 4.800 . 5.250 3.445 2.737 4.045 . 0 0 "[ . 1]" 2
26 1 5 ASP H 1 89 LYS H 4.750 . 5.200 4.751 4.453 5.180 . 0 0 "[ . 1]" 2
27 1 7 GLU H 1 119 LEU MD2 5.400 . 5.850 5.423 4.722 6.174 0.324 10 0 "[ . 1]" 2
28 1 7 GLU H 1 119 LEU MD1 6.000 . 6.450 5.897 4.404 6.662 0.212 4 0 "[ . 1]" 2
29 1 7 GLU H 1 120 MET HG2 6.000 . 6.450 4.202 3.694 4.770 . 0 0 "[ . 1]" 2
30 1 11 ALA H 1 161 LEU MD1 4.400 . 4.850 4.419 3.789 4.874 0.024 10 0 "[ . 1]" 2
31 1 12 ALA H 1 161 LEU MD1 4.800 . 5.250 4.683 3.902 5.304 0.054 7 0 "[ . 1]" 2
32 1 15 LYS H 1 159 LEU MD1 3.600 . 4.050 2.297 1.828 3.387 . 0 0 "[ . 1]" 2
33 1 16 TRP H 1 159 LEU MD2 5.000 . 5.450 4.879 4.325 5.236 . 0 0 "[ . 1]" 2
34 1 21 GLU H 1 170 VAL MG2 4.200 . 4.650 4.093 3.497 4.841 0.191 7 0 "[ . 1]" 2
35 1 111 TRP HE1 1 133 VAL MG1 4.400 . 4.850 4.409 3.002 5.007 0.157 3 0 "[ . 1]" 2
36 1 111 TRP HE1 1 133 VAL MG2 4.400 . 4.850 3.857 2.541 4.997 0.147 2 0 "[ . 1]" 2
37 1 216 VAL MG1 1 220 GLY H 4.800 . 5.250 3.880 2.221 5.300 0.050 3 0 "[ . 1]" 2
38 1 5 ASP H 1 88 GLN HE22 5.400 . 5.850 4.388 2.820 5.714 . 0 0 "[ . 1]" 2
39 1 4 ALA H 1 118 VAL MG2 6.000 . 6.450 6.138 4.931 6.711 0.261 2 0 "[ . 1]" 2
40 1 6 LEU H 1 120 MET HG2 4.800 . 5.250 2.666 2.319 3.775 . 0 0 "[ . 1]" 2
41 1 7 GLU H 1 120 MET HG3 6.000 . 6.450 4.637 3.986 5.548 . 0 0 "[ . 1]" 2
42 1 11 ALA H 1 159 LEU MD1 6.500 . 6.950 6.596 6.109 6.872 . 0 0 "[ . 1]" 2
43 1 11 ALA H 1 161 LEU MD2 4.600 . 5.050 4.706 4.168 5.013 . 0 0 "[ . 1]" 2
44 1 12 ALA H 1 161 LEU MD2 5.000 . 5.450 4.153 3.786 4.492 . 0 0 "[ . 1]" 2
45 1 13 ASP H 1 159 LEU MD1 4.000 . 4.450 4.315 3.952 4.526 0.076 10 0 "[ . 1]" 2
46 1 13 ASP H 1 161 LEU MD2 5.600 . 6.050 5.809 4.744 6.268 0.218 9 0 "[ . 1]" 2
47 1 6 LEU H 1 118 VAL MG1 5.000 . 5.450 4.189 3.330 5.135 . 0 0 "[ . 1]" 2
48 1 21 GLU H 1 170 VAL MG1 4.000 . 4.450 4.479 3.859 5.344 0.894 10 1 "[ . +]" 2
49 1 24 GLY H 1 189 LEU MD2 4.000 . 4.450 4.301 3.335 4.691 0.241 7 0 "[ . 1]" 2
50 1 32 THR H 1 215 VAL MG1 5.000 . 5.450 4.770 4.185 5.498 0.048 8 0 "[ . 1]" 2
51 1 40 SER H 1 215 VAL MG1 4.600 . 5.050 4.268 3.958 4.732 . 0 0 "[ . 1]" 2
52 1 109 THR H 1 210 LEU MD1 4.600 . 5.050 3.796 3.325 4.880 . 0 0 "[ . 1]" 2
53 1 161 LEU H 1 198 SER H 6.000 . 6.450 6.245 5.983 6.571 0.121 7 0 "[ . 1]" 2
54 1 176 LEU MD2 1 186 ALA H 4.200 . 4.650 4.743 4.025 4.927 0.277 5 0 "[ . 1]" 2
55 1 29 LEU MD2 1 217 THR H 5.800 . 6.250 5.002 4.521 6.076 . 0 0 "[ . 1]" 2
56 1 216 VAL MG1 1 221 ALA H 4.400 . 4.850 3.891 2.038 4.899 0.049 9 0 "[ . 1]" 2
57 1 5 ASP H 1 118 VAL MG1 6.800 . 7.250 4.324 3.297 5.249 . 0 0 "[ . 1]" 2
58 1 99 ALA H 1 113 VAL MG1 3.600 . 4.050 4.277 4.070 4.493 0.443 8 0 "[ . 1]" 2
59 1 109 THR H 1 137 LEU MD2 4.800 . 5.250 4.616 4.040 5.432 0.182 1 0 "[ . 1]" 2
60 1 6 LEU QD 1 119 LEU MD1 4.200 . 4.650 3.918 2.991 4.788 0.138 9 0 "[ . 1]" 2
61 1 8 LEU MD2 1 126 ILE MD 4.400 . 4.850 3.344 1.899 4.640 . 0 0 "[ . 1]" 2
62 1 28 ILE MD 1 176 LEU MD2 3.600 . 4.050 2.794 2.305 4.069 0.019 7 0 "[ . 1]" 2
63 1 29 LEU MD2 1 41 ILE MD 3.600 . 4.050 3.685 2.743 4.321 0.271 9 0 "[ . 1]" 2
64 1 41 ILE MD 1 215 VAL MG1 3.600 . 4.050 2.962 2.028 3.856 . 0 0 "[ . 1]" 2
65 1 6 LEU QD 1 119 LEU MD2 3.600 . 4.050 2.211 1.851 2.794 . 0 0 "[ . 1]" 2
66 1 110 MET ME 1 137 LEU MD1 4.600 . 5.050 3.598 2.087 4.362 . 0 0 "[ . 1]" 2
67 1 8 LEU MD1 1 126 ILE MD 3.600 . 4.050 2.995 2.101 4.116 0.066 9 0 "[ . 1]" 2
68 1 158 VAL MG2 1 187 VAL MG1 4.400 . 4.850 4.384 3.265 5.003 0.153 7 0 "[ . 1]" 2
69 1 187 VAL MG2 1 226 ILE MD 3.800 . 4.250 3.824 2.030 4.761 0.511 9 1 "[ . +1]" 2
70 1 187 VAL MG1 1 223 VAL MG1 4.400 . 4.850 4.185 3.738 4.697 . 0 0 "[ . 1]" 2
71 1 110 MET ME 1 137 LEU MD2 3.600 . 4.050 2.572 1.965 3.926 . 0 0 "[ . 1]" 2
72 1 84 TYR H 1 161 LEU MD1 5.200 . 5.650 3.911 3.340 4.408 . 0 0 "[ . 1]" 2
73 1 110 MET ME 1 210 LEU MD1 3.600 . 4.050 2.967 1.962 4.123 0.073 9 0 "[ . 1]" 2
74 1 39 MET ME 1 215 VAL MG1 3.800 . 4.250 3.131 2.477 4.005 . 0 0 "[ . 1]" 2
75 1 31 ILE MD 1 215 VAL MG1 4.000 . 4.450 2.805 1.830 3.319 . 0 0 "[ . 1]" 2
76 1 31 ILE MD 1 215 VAL MG2 4.800 . 5.250 5.164 4.347 5.563 0.313 4 0 "[ . 1]" 2
77 1 187 VAL MG1 1 226 ILE MD 3.600 . 4.050 3.633 3.079 4.217 0.167 9 0 "[ . 1]" 2
78 1 6 LEU CD2 1 88 GLN CB 4.440 . 4.890 3.835 3.315 4.368 . 0 0 "[ . 1]" 2
79 1 6 LEU CD2 1 88 GLN CG 4.450 . 4.900 3.966 3.650 4.627 . 0 0 "[ . 1]" 2
80 1 9 GLU CD 1 51 GLY CA 4.460 . 4.910 5.044 4.522 5.278 0.368 3 0 "[ . 1]" 2
81 1 9 GLU C 1 84 TYR CD2 4.350 . 4.800 4.454 3.255 5.920 1.120 9 4 "[-* . *+1]" 2
82 1 10 ARG CA 1 84 TYR CD2 4.390 . 4.840 4.688 3.536 5.872 1.032 9 4 "[-* . *+1]" 2
83 1 10 ARG CB 1 84 TYR CE2 4.490 . 4.940 5.239 3.724 6.792 1.852 9 4 "[*- . *+1]" 2
84 1 14 VAL CG1 1 201 ILE CD1 4.170 . 4.620 4.065 3.599 4.746 0.126 5 0 "[ . 1]" 2
85 1 16 TRP CE3 1 202 ASP C 6.000 . 6.450 5.930 5.366 6.576 0.126 3 0 "[ . 1]" 2
86 1 32 THR CG2 1 42 LYS CB 4.440 . 4.890 4.885 4.019 5.146 0.256 2 0 "[ . 1]" 2
87 1 32 THR CG2 1 42 LYS CG 4.470 . 4.920 4.146 3.701 5.006 0.086 7 0 "[ . 1]" 2
88 1 32 THR CG2 1 42 LYS CD 4.380 . 4.830 4.423 3.859 4.975 0.145 7 0 "[ . 1]" 2
89 1 34 SER CB 1 39 MET CA 5.000 . 5.450 5.025 4.467 5.348 . 0 0 "[ . 1]" 2
90 1 34 SER CB 1 39 MET CB 6.000 . 6.450 6.394 5.995 6.599 0.149 5 0 "[ . 1]" 2
91 1 64 VAL CA 1 122 LYS CD 4.410 . 4.860 4.250 3.706 4.727 . 0 0 "[ . 1]" 2
92 1 64 VAL CA 1 122 LYS CE 6.000 . 6.450 4.637 4.042 5.442 . 0 0 "[ . 1]" 2
93 1 64 VAL CB 1 122 LYS CG 4.320 . 4.770 4.242 3.507 4.962 0.192 3 0 "[ . 1]" 2
94 1 64 VAL CB 1 122 LYS CD 4.380 . 4.830 4.441 3.424 5.064 0.234 6 0 "[ . 1]" 2
95 1 64 VAL CB 1 122 LYS CE 6.000 . 6.450 5.188 4.577 6.164 . 0 0 "[ . 1]" 2
96 1 64 VAL CG2 1 122 LYS CA 4.220 . 4.670 4.806 3.817 5.178 0.508 9 1 "[ . +1]" 2
97 1 64 VAL CG2 1 122 LYS CG 4.100 . 4.550 4.236 3.606 4.599 0.049 4 0 "[ . 1]" 2
98 1 64 VAL C 1 122 LYS CG 4.380 . 4.830 4.359 3.583 4.980 0.150 8 0 "[ . 1]" 2
99 1 64 VAL C 1 122 LYS CD 3.780 . 4.230 3.986 3.597 4.622 0.392 6 0 "[ . 1]" 2
100 1 64 VAL C 1 122 LYS CE 3.980 . 4.430 4.128 3.485 4.715 0.285 8 0 "[ . 1]" 2
101 1 65 LEU CA 1 122 LYS CD 4.020 . 4.470 4.718 4.442 4.867 0.397 8 0 "[ . 1]" 2
102 1 65 LEU CA 1 122 LYS CE 4.320 . 4.770 4.502 3.860 5.213 0.443 5 0 "[ . 1]" 2
103 1 65 LEU C 1 122 LYS CD 4.150 . 4.600 4.435 4.138 4.719 0.119 3 0 "[ . 1]" 2
104 1 65 LEU C 1 122 LYS CE 4.240 . 4.690 4.295 3.660 5.120 0.430 5 0 "[ . 1]" 2
105 1 66 TRP CB 1 121 HIS CE1 3.980 . 4.430 4.001 3.413 4.471 0.041 1 0 "[ . 1]" 2
106 1 66 TRP CG 1 121 HIS CE1 4.250 . 4.700 3.861 3.627 4.285 . 0 0 "[ . 1]" 2
107 1 66 TRP CG 1 122 LYS CD 4.270 . 4.720 4.362 3.658 4.916 0.196 10 0 "[ . 1]" 2
108 1 66 TRP CG 1 122 LYS CE 4.100 . 4.550 4.040 3.604 4.658 0.108 6 0 "[ . 1]" 2
109 1 66 TRP CD1 1 121 HIS CD2 4.180 . 4.630 4.547 3.465 5.255 0.625 7 2 "[- . + 1]" 2
110 1 66 TRP CD1 1 121 HIS CE1 4.100 . 4.550 3.813 3.191 4.699 0.149 7 0 "[ . 1]" 2
111 1 66 TRP CD1 1 122 LYS CG 4.100 . 4.550 4.202 3.575 4.805 0.255 6 0 "[ . 1]" 2
112 1 66 TRP CD1 1 122 LYS CD 3.790 . 4.240 3.859 3.427 4.261 0.021 9 0 "[ . 1]" 2
113 1 66 TRP CD1 1 122 LYS CE 3.780 . 4.230 3.574 3.201 4.361 0.131 6 0 "[ . 1]" 2
114 1 66 TRP CD2 1 122 LYS CE 4.340 . 4.790 4.288 3.755 5.160 0.370 3 0 "[ . 1]" 2
115 1 66 TRP CE2 1 122 LYS CE 4.070 . 4.520 4.000 3.442 4.709 0.189 3 0 "[ . 1]" 2
116 1 67 ASP CA 1 80 GLU CB 6.000 . 6.450 5.677 5.085 6.536 0.086 10 0 "[ . 1]" 2
117 1 67 ASP CA 1 80 GLU CG 6.000 . 6.450 5.413 4.345 6.383 . 0 0 "[ . 1]" 2
118 1 67 ASP CA 1 80 GLU CD 6.000 . 6.450 6.026 5.115 6.433 . 0 0 "[ . 1]" 2
119 1 67 ASP CB 1 80 GLU CA 6.000 . 6.450 6.453 5.783 6.779 0.329 1 0 "[ . 1]" 2
120 1 67 ASP CB 1 80 GLU CB 6.000 . 6.450 5.248 4.380 5.998 . 0 0 "[ . 1]" 2
121 1 67 ASP CB 1 80 GLU CG 6.000 . 6.450 5.068 3.749 6.309 . 0 0 "[ . 1]" 2
122 1 67 ASP CG 1 80 GLU CA 6.000 . 6.450 5.531 4.669 6.445 . 0 0 "[ . 1]" 2
123 1 67 ASP CG 1 80 GLU CB 6.000 . 6.450 4.469 3.998 5.480 . 0 0 "[ . 1]" 2
124 1 67 ASP CG 1 80 GLU CG 6.000 . 6.450 4.330 3.581 5.965 . 0 0 "[ . 1]" 2
125 1 67 ASP CG 1 80 GLU C 6.000 . 6.450 6.396 5.889 6.893 0.443 4 0 "[ . 1]" 2
126 1 67 ASP C 1 78 GLU CD 6.000 . 6.450 5.742 4.348 6.919 0.469 3 0 "[ . 1]" 2
127 1 67 ASP C 1 80 GLU CB 6.000 . 6.450 5.007 4.127 6.450 . 0 0 "[ . 1]" 2
128 1 67 ASP C 1 80 GLU CD 6.000 . 6.450 5.379 4.048 6.700 0.250 7 0 "[ . 1]" 2
129 1 68 VAL CA 1 78 GLU CD 6.000 . 6.450 4.850 4.308 5.944 . 0 0 "[ . 1]" 2
130 1 68 VAL CB 1 78 GLU CD 6.000 . 6.450 4.975 3.505 6.707 0.257 7 0 "[ . 1]" 2
131 1 79 LEU C 1 102 TYR CE2 6.000 . 6.450 6.093 4.559 7.727 1.277 9 2 "[ . - +1]" 2
132 1 79 LEU C 1 102 TYR CD2 6.000 . 6.450 6.304 4.507 7.830 1.380 9 2 "[ . - +1]" 2
133 1 89 LYS CB 1 94 TYR CE1 4.360 . 4.810 4.893 3.995 6.294 1.484 7 3 "[- . + *]" 2
134 1 100 GLY CA 1 107 PHE QE 4.420 . 4.870 3.436 2.852 4.175 . 0 0 "[ . 1]" 2
135 1 108 HIS CD2 1 144 TRP CE3 4.490 . 4.940 4.897 3.933 5.310 0.370 9 0 "[ . 1]" 2
136 1 111 TRP CH2 1 115 ARG C 4.450 . 4.900 4.025 3.577 4.686 . 0 0 "[ . 1]" 2
137 1 118 VAL CG1 1 125 ARG CG 4.120 . 4.570 4.435 3.500 4.723 0.153 2 0 "[ . 1]" 2
138 1 127 GLU C 1 140 TYR CD2 4.210 . 4.660 5.250 3.615 6.345 1.685 4 5 "[ *+.-* *]" 2
139 1 150 TRP CZ2 1 174 PRO CB 4.450 . 4.900 4.130 3.521 4.906 0.006 9 0 "[ . 1]" 2
140 1 156 VAL CG2 1 200 ILE CG2 4.460 . 4.910 3.902 3.529 5.008 0.098 2 0 "[ . 1]" 2
141 1 159 LEU CD1 1 201 ILE CD1 4.130 . 4.580 4.174 3.656 4.849 0.269 8 0 "[ . 1]" 2
142 1 161 LEU CD2 1 167 PRO CB 4.340 . 4.790 3.771 3.541 4.752 . 0 0 "[ . 1]" 2
143 1 200 ILE CD1 1 226 ILE CG2 4.450 . 4.900 3.812 3.558 4.077 . 0 0 "[ . 1]" 2
144 1 201 ILE CG2 1 205 GLY CA 4.180 . 4.630 4.300 3.703 4.917 0.287 8 0 "[ . 1]" 2
145 1 201 ILE CG2 1 205 GLY C 4.240 . 4.690 4.206 3.766 4.793 0.103 9 0 "[ . 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 128
_Distance_constraint_stats_list.Viol_count 747
_Distance_constraint_stats_list.Viol_total 607.474
_Distance_constraint_stats_list.Viol_max 0.403
_Distance_constraint_stats_list.Viol_rms 0.0603
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0475
_Distance_constraint_stats_list.Viol_average_violations_only 0.0813
_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 5 ASP 2.051 0.203 3 0 "[ . 1]"
1 6 LEU 0.523 0.102 9 0 "[ . 1]"
1 7 GLU 2.099 0.143 1 0 "[ . 1]"
1 8 LEU 4.556 0.398 6 0 "[ . 1]"
1 9 GLU 1.709 0.207 2 0 "[ . 1]"
1 11 ALA 0.630 0.098 9 0 "[ . 1]"
1 12 ALA 1.445 0.116 10 0 "[ . 1]"
1 32 THR 1.701 0.166 10 0 "[ . 1]"
1 34 SER 2.051 0.240 6 0 "[ . 1]"
1 38 SER 2.051 0.240 6 0 "[ . 1]"
1 40 SER 1.701 0.166 10 0 "[ . 1]"
1 82 GLY 2.222 0.148 9 0 "[ . 1]"
1 83 ALA 2.075 0.116 10 0 "[ . 1]"
1 84 TYR 0.817 0.100 1 0 "[ . 1]"
1 85 ARG 1.709 0.207 2 0 "[ . 1]"
1 86 ILE 5.069 0.212 9 0 "[ . 1]"
1 87 LYS 2.099 0.143 1 0 "[ . 1]"
1 88 GLN 3.943 0.207 6 0 "[ . 1]"
1 89 LYS 2.051 0.203 3 0 "[ . 1]"
1 90 GLY 1.490 0.115 3 0 "[ . 1]"
1 93 GLY 1.490 0.115 3 0 "[ . 1]"
1 95 SER 3.943 0.207 6 0 "[ . 1]"
1 97 ILE 0.709 0.166 7 0 "[ . 1]"
1 98 GLY 4.361 0.212 9 0 "[ . 1]"
1 99 ALA 1.459 0.150 9 0 "[ . 1]"
1 100 GLY 0.817 0.100 1 0 "[ . 1]"
1 102 TYR 2.222 0.148 9 0 "[ . 1]"
1 103 LYS 1.706 0.135 8 0 "[ . 1]"
1 106 THR 1.706 0.135 8 0 "[ . 1]"
1 107 PHE 1.548 0.186 8 0 "[ . 1]"
1 109 THR 0.690 0.093 9 0 "[ . 1]"
1 119 LEU 1.308 0.191 4 0 "[ . 1]"
1 120 MET 5.079 0.398 6 0 "[ . 1]"
1 121 HIS 0.842 0.127 2 0 "[ . 1]"
1 124 LYS 0.842 0.127 2 0 "[ . 1]"
1 126 ILE 1.308 0.191 4 0 "[ . 1]"
1 130 TRP 1.925 0.121 9 0 "[ . 1]"
1 132 ASP 1.368 0.142 2 0 "[ . 1]"
1 137 LEU 1.368 0.142 2 0 "[ . 1]"
1 138 ILE 0.690 0.093 9 0 "[ . 1]"
1 139 SER 1.925 0.121 9 0 "[ . 1]"
1 140 TYR 1.548 0.186 8 0 "[ . 1]"
1 156 VAL 1.055 0.157 9 0 "[ . 1]"
1 157 GLN 1.050 0.138 1 0 "[ . 1]"
1 158 VAL 0.972 0.117 4 0 "[ . 1]"
1 160 ALA 1.149 0.132 4 0 "[ . 1]"
1 168 ARG 1.149 0.132 4 0 "[ . 1]"
1 170 VAL 0.972 0.117 4 0 "[ . 1]"
1 172 THR 1.055 0.157 9 0 "[ . 1]"
1 175 GLY 2.710 0.403 9 0 "[ . 1]"
1 177 PHE 1.327 0.146 8 0 "[ . 1]"
1 179 THR 0.578 0.136 9 0 "[ . 1]"
1 182 GLY 0.578 0.136 9 0 "[ . 1]"
1 184 ILE 1.327 0.146 8 0 "[ . 1]"
1 186 ALA 2.710 0.403 9 0 "[ . 1]"
1 195 THR 1.573 0.166 7 0 "[ . 1]"
1 196 SER 1.459 0.150 9 0 "[ . 1]"
1 198 SER 2.063 0.166 7 0 "[ . 1]"
1 200 ILE 3.335 0.231 1 0 "[ . 1]"
1 201 ILE 1.050 0.138 1 0 "[ . 1]"
1 202 ASP 0.398 0.142 8 0 "[ . 1]"
1 206 LYS 0.398 0.142 8 0 "[ . 1]"
1 208 VAL 1.671 0.231 1 0 "[ . 1]"
1 209 GLY 1.664 0.185 8 0 "[ . 1]"
1 210 LEU 1.659 0.163 1 0 "[ . 1]"
1 211 TYR 0.490 0.117 5 0 "[ . 1]"
1 215 VAL 2.179 0.185 10 0 "[ . 1]"
1 217 THR 1.121 0.173 8 0 "[ . 1]"
1 221 ALA 1.121 0.173 8 0 "[ . 1]"
1 223 VAL 2.179 0.185 10 0 "[ . 1]"
1 227 ALA 1.659 0.163 1 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 6 LEU O 1 120 MET H 1.900 . 2.000 2.052 2.010 2.102 0.102 9 0 "[ . 1]" 3
2 1 6 LEU O 1 120 MET N 2.850 . 3.000 2.697 2.590 2.789 . 0 0 "[ . 1]" 3
3 1 8 LEU H 1 120 MET O 1.900 . 2.000 2.268 2.220 2.398 0.398 6 0 "[ . 1]" 3
4 1 8 LEU N 1 120 MET O 2.850 . 3.000 3.188 3.143 3.308 0.308 6 0 "[ . 1]" 3
5 1 32 THR O 1 40 SER H 1.900 . 2.000 2.063 2.009 2.107 0.107 1 0 "[ . 1]" 3
6 1 32 THR O 1 40 SER N 2.850 . 3.000 2.988 2.877 3.063 0.063 2 0 "[ . 1]" 3
7 1 32 THR H 1 40 SER O 1.900 . 2.000 2.090 2.007 2.166 0.166 10 0 "[ . 1]" 3
8 1 32 THR N 1 40 SER O 2.850 . 3.000 2.874 2.785 2.984 . 0 0 "[ . 1]" 3
9 1 34 SER O 1 38 SER H 1.900 . 2.000 2.152 2.082 2.240 0.240 6 0 "[ . 1]" 3
10 1 34 SER O 1 38 SER N 2.850 . 3.000 2.984 2.856 3.078 0.078 6 0 "[ . 1]" 3
11 1 34 SER H 1 38 SER O 1.900 . 2.000 2.029 1.943 2.075 0.075 7 0 "[ . 1]" 3
12 1 34 SER N 1 38 SER O 2.850 . 3.000 2.879 2.758 3.024 0.024 8 0 "[ . 1]" 3
13 1 160 ALA H 1 168 ARG O 1.900 . 2.000 2.064 1.986 2.104 0.104 6 0 "[ . 1]" 3
14 1 160 ALA N 1 168 ARG O 2.850 . 3.000 2.913 2.835 2.983 . 0 0 "[ . 1]" 3
15 1 160 ALA O 1 168 ARG H 1.900 . 2.000 2.045 1.981 2.132 0.132 4 0 "[ . 1]" 3
16 1 160 ALA O 1 168 ARG N 2.850 . 3.000 2.910 2.735 3.027 0.027 4 0 "[ . 1]" 3
17 1 158 VAL O 1 170 VAL H 1.900 . 2.000 2.024 1.895 2.108 0.108 9 0 "[ . 1]" 3
18 1 158 VAL O 1 170 VAL N 2.850 . 3.000 2.959 2.855 3.068 0.068 7 0 "[ . 1]" 3
19 1 158 VAL H 1 170 VAL O 1.900 . 2.000 2.018 1.925 2.117 0.117 4 0 "[ . 1]" 3
20 1 158 VAL N 1 170 VAL O 2.850 . 3.000 2.918 2.825 3.015 0.015 4 0 "[ . 1]" 3
21 1 156 VAL H 1 172 THR O 1.900 . 2.000 2.091 2.035 2.157 0.157 9 0 "[ . 1]" 3
22 1 156 VAL N 1 172 THR O 2.850 . 3.000 2.937 2.778 3.066 0.066 8 0 "[ . 1]" 3
23 1 179 THR H 1 182 GLY O 1.900 . 2.000 2.050 1.943 2.136 0.136 9 0 "[ . 1]" 3
24 1 179 THR N 1 182 GLY O 2.850 . 3.000 2.929 2.831 2.997 . 0 0 "[ . 1]" 3
25 1 177 PHE O 1 184 ILE H 1.900 . 2.000 2.072 2.010 2.146 0.146 8 0 "[ . 1]" 3
26 1 177 PHE O 1 184 ILE N 2.850 . 3.000 2.997 2.946 3.059 0.059 10 0 "[ . 1]" 3
27 1 177 PHE H 1 184 ILE O 1.900 . 2.000 2.030 1.971 2.099 0.099 1 0 "[ . 1]" 3
28 1 177 PHE N 1 184 ILE O 2.850 . 3.000 2.956 2.858 3.058 0.058 1 0 "[ . 1]" 3
29 1 175 GLY H 1 186 ALA O 1.900 . 2.000 2.096 1.945 2.351 0.351 9 0 "[ . 1]" 3
30 1 175 GLY N 1 186 ALA O 2.850 . 3.000 2.960 2.812 3.255 0.255 9 0 "[ . 1]" 3
31 1 175 GLY O 1 186 ALA H 1.900 . 2.000 2.113 1.985 2.403 0.403 9 0 "[ . 1]" 3
32 1 175 GLY O 1 186 ALA N 2.850 . 3.000 2.877 2.643 3.007 0.007 4 0 "[ . 1]" 3
33 1 215 VAL O 1 223 VAL H 1.900 . 2.000 2.109 2.051 2.185 0.185 10 0 "[ . 1]" 3
34 1 215 VAL O 1 223 VAL N 2.850 . 3.000 3.004 2.892 3.133 0.133 10 0 "[ . 1]" 3
35 1 215 VAL H 1 223 VAL O 1.900 . 2.000 2.053 1.978 2.118 0.118 3 0 "[ . 1]" 3
36 1 215 VAL N 1 223 VAL O 2.850 . 3.000 2.984 2.871 3.090 0.090 3 0 "[ . 1]" 3
37 1 217 THR O 1 221 ALA H 1.900 . 2.000 2.094 2.025 2.173 0.173 8 0 "[ . 1]" 3
38 1 217 THR O 1 221 ALA N 2.850 . 3.000 2.878 2.726 3.055 0.055 4 0 "[ . 1]" 3
39 1 217 THR H 1 221 ALA O 1.900 . 2.000 1.958 1.909 2.040 0.040 6 0 "[ . 1]" 3
40 1 217 THR N 1 221 ALA O 2.850 . 3.000 2.816 2.715 2.903 . 0 0 "[ . 1]" 3
41 1 132 ASP O 1 137 LEU H 1.900 . 2.000 2.077 1.992 2.142 0.142 2 0 "[ . 1]" 3
42 1 132 ASP O 1 137 LEU N 2.850 . 3.000 2.970 2.886 3.084 0.084 8 0 "[ . 1]" 3
43 1 132 ASP H 1 137 LEU O 1.900 . 2.000 2.031 1.901 2.096 0.096 1 0 "[ . 1]" 3
44 1 132 ASP N 1 137 LEU O 2.850 . 3.000 2.883 2.749 2.953 . 0 0 "[ . 1]" 3
45 1 130 TRP O 1 139 SER H 1.900 . 2.000 2.085 2.036 2.121 0.121 9 0 "[ . 1]" 3
46 1 130 TRP O 1 139 SER N 2.850 . 3.000 3.033 2.997 3.065 0.065 2 0 "[ . 1]" 3
47 1 130 TRP H 1 139 SER O 1.900 . 2.000 2.074 2.014 2.103 0.103 4 0 "[ . 1]" 3
48 1 130 TRP N 1 139 SER O 2.850 . 3.000 2.924 2.837 2.955 . 0 0 "[ . 1]" 3
49 1 119 LEU O 1 126 ILE H 1.900 . 2.000 1.980 1.902 2.070 0.070 4 0 "[ . 1]" 3
50 1 119 LEU O 1 126 ILE N 2.850 . 3.000 2.822 2.689 2.917 . 0 0 "[ . 1]" 3
51 1 119 LEU H 1 126 ILE O 1.900 . 2.000 2.112 2.032 2.191 0.191 4 0 "[ . 1]" 3
52 1 119 LEU N 1 126 ILE O 2.850 . 3.000 2.904 2.778 2.984 . 0 0 "[ . 1]" 3
53 1 121 HIS O 1 124 LYS H 1.900 . 2.000 2.017 1.929 2.127 0.127 2 0 "[ . 1]" 3
54 1 121 HIS O 1 124 LYS N 2.850 . 3.000 2.851 2.705 2.964 . 0 0 "[ . 1]" 3
55 1 121 HIS H 1 124 LYS O 1.900 . 2.000 2.022 1.889 2.124 0.124 2 0 "[ . 1]" 3
56 1 121 HIS N 1 124 LYS O 2.850 . 3.000 2.902 2.804 3.048 0.048 4 0 "[ . 1]" 3
57 1 5 ASP O 1 89 LYS H 1.900 . 2.000 2.137 2.014 2.203 0.203 3 0 "[ . 1]" 3
58 1 5 ASP O 1 89 LYS N 2.850 . 3.000 3.057 2.928 3.128 0.128 7 0 "[ . 1]" 3
59 1 7 GLU O 1 87 LYS H 1.900 . 2.000 2.090 1.979 2.143 0.143 1 0 "[ . 1]" 3
60 1 7 GLU O 1 87 LYS N 2.850 . 3.000 3.046 2.939 3.133 0.133 1 0 "[ . 1]" 3
61 1 7 GLU H 1 87 LYS O 1.900 . 2.000 2.054 1.947 2.139 0.139 1 0 "[ . 1]" 3
62 1 7 GLU N 1 87 LYS O 2.850 . 3.000 2.866 2.645 2.987 . 0 0 "[ . 1]" 3
63 1 9 GLU O 1 85 ARG H 1.900 . 2.000 2.010 1.861 2.086 0.086 4 0 "[ . 1]" 3
64 1 9 GLU O 1 85 ARG N 2.850 . 3.000 2.704 2.590 2.923 . 0 0 "[ . 1]" 3
65 1 9 GLU H 1 85 ARG O 1.900 . 2.000 2.129 2.080 2.207 0.207 2 0 "[ . 1]" 3
66 1 9 GLU N 1 85 ARG O 2.850 . 3.000 2.938 2.797 3.043 0.043 3 0 "[ . 1]" 3
67 1 12 ALA O 1 83 ALA H 1.900 . 2.000 2.080 2.036 2.116 0.116 10 0 "[ . 1]" 3
68 1 12 ALA O 1 83 ALA N 2.850 . 3.000 2.792 2.690 2.924 . 0 0 "[ . 1]" 3
69 1 12 ALA H 1 83 ALA O 1.900 . 2.000 2.036 1.961 2.112 0.112 8 0 "[ . 1]" 3
70 1 12 ALA N 1 83 ALA O 2.850 . 3.000 2.981 2.836 3.083 0.083 8 0 "[ . 1]" 3
71 1 11 ALA H 1 83 ALA O 1.900 . 2.000 2.059 2.019 2.098 0.098 9 0 "[ . 1]" 3
72 1 11 ALA N 1 83 ALA O 2.850 . 3.000 2.935 2.865 3.039 0.039 1 0 "[ . 1]" 3
73 1 82 GLY H 1 102 TYR O 1.900 . 2.000 2.097 2.045 2.143 0.143 7 0 "[ . 1]" 3
74 1 82 GLY N 1 102 TYR O 2.850 . 3.000 2.809 2.618 2.935 . 0 0 "[ . 1]" 3
75 1 82 GLY O 1 102 TYR H 1.900 . 2.000 2.085 2.011 2.148 0.148 9 0 "[ . 1]" 3
76 1 82 GLY O 1 102 TYR N 2.850 . 3.000 3.014 2.923 3.111 0.111 9 0 "[ . 1]" 3
77 1 84 TYR O 1 100 GLY H 1.900 . 2.000 2.044 1.947 2.100 0.100 1 0 "[ . 1]" 3
78 1 84 TYR O 1 100 GLY N 2.850 . 3.000 2.923 2.810 3.032 0.032 4 0 "[ . 1]" 3
79 1 84 TYR H 1 100 GLY O 1.900 . 2.000 2.026 1.978 2.074 0.074 8 0 "[ . 1]" 3
80 1 84 TYR N 1 100 GLY O 2.850 . 3.000 2.879 2.753 2.990 . 0 0 "[ . 1]" 3
81 1 86 ILE H 1 98 GLY O 1.900 . 2.000 2.100 1.999 2.166 0.166 2 0 "[ . 1]" 3
82 1 86 ILE N 1 98 GLY O 2.850 . 3.000 2.957 2.654 3.089 0.089 2 0 "[ . 1]" 3
83 1 86 ILE O 1 98 GLY H 1.900 . 2.000 2.167 2.125 2.212 0.212 9 0 "[ . 1]" 3
84 1 86 ILE O 1 98 GLY N 2.850 . 3.000 3.141 3.030 3.189 0.189 9 0 "[ . 1]" 3
85 1 86 ILE O 1 97 ILE H 1.900 . 2.000 2.047 1.940 2.166 0.166 7 0 "[ . 1]" 3
86 1 86 ILE O 1 97 ILE N 2.850 . 3.000 2.966 2.827 3.143 0.143 7 0 "[ . 1]" 3
87 1 88 GLN O 1 95 SER H 1.900 . 2.000 2.130 2.097 2.167 0.167 7 0 "[ . 1]" 3
88 1 88 GLN O 1 95 SER N 2.850 . 3.000 2.992 2.770 3.086 0.086 8 0 "[ . 1]" 3
89 1 88 GLN H 1 95 SER O 1.900 . 2.000 2.173 2.094 2.207 0.207 6 0 "[ . 1]" 3
90 1 88 GLN N 1 95 SER O 2.850 . 3.000 3.054 2.982 3.103 0.103 5 0 "[ . 1]" 3
91 1 90 GLY H 1 93 GLY O 1.900 . 2.000 2.073 2.029 2.115 0.115 3 0 "[ . 1]" 3
92 1 90 GLY N 1 93 GLY O 2.850 . 3.000 2.934 2.719 3.063 0.063 7 0 "[ . 1]" 3
93 1 90 GLY O 1 93 GLY H 1.900 . 2.000 2.063 1.979 2.097 0.097 6 0 "[ . 1]" 3
94 1 90 GLY O 1 93 GLY N 2.850 . 3.000 2.904 2.788 3.035 0.035 8 0 "[ . 1]" 3
95 1 157 GLN O 1 201 ILE H 1.900 . 2.000 2.016 1.931 2.071 0.071 1 0 "[ . 1]" 3
96 1 157 GLN O 1 201 ILE N 2.850 . 3.000 2.838 2.741 2.986 . 0 0 "[ . 1]" 3
97 1 157 GLN H 1 201 ILE O 1.900 . 2.000 2.058 1.895 2.138 0.138 1 0 "[ . 1]" 3
98 1 157 GLN N 1 201 ILE O 2.850 . 3.000 2.897 2.742 2.974 . 0 0 "[ . 1]" 3
99 1 202 ASP H 1 206 LYS O 1.900 . 2.000 2.017 1.900 2.142 0.142 8 0 "[ . 1]" 3
100 1 202 ASP N 1 206 LYS O 2.850 . 3.000 2.831 2.691 3.059 0.059 8 0 "[ . 1]" 3
101 1 200 ILE O 1 209 GLY H 1.900 . 2.000 2.090 2.001 2.185 0.185 8 0 "[ . 1]" 3
102 1 200 ILE O 1 209 GLY N 2.850 . 3.000 2.886 2.770 3.047 0.047 8 0 "[ . 1]" 3
103 1 200 ILE H 1 209 GLY O 1.900 . 2.000 2.059 1.921 2.125 0.125 8 0 "[ . 1]" 3
104 1 200 ILE N 1 209 GLY O 2.850 . 3.000 2.899 2.813 3.012 0.012 5 0 "[ . 1]" 3
105 1 200 ILE O 1 208 VAL H 1.900 . 2.000 2.163 2.111 2.231 0.231 1 0 "[ . 1]" 3
106 1 200 ILE O 1 208 VAL N 2.850 . 3.000 2.777 2.642 3.044 0.044 8 0 "[ . 1]" 3
107 1 103 LYS O 1 106 THR H 1.900 . 2.000 2.084 2.033 2.135 0.135 8 0 "[ . 1]" 3
108 1 103 LYS O 1 106 THR N 2.850 . 3.000 3.013 2.945 3.056 0.056 6 0 "[ . 1]" 3
109 1 103 LYS H 1 106 THR O 1.900 . 2.000 2.031 1.921 2.108 0.108 4 0 "[ . 1]" 3
110 1 103 LYS N 1 106 THR O 2.850 . 3.000 2.981 2.879 3.048 0.048 9 0 "[ . 1]" 3
111 1 109 THR H 1 138 ILE O 1.900 . 2.000 2.020 1.963 2.093 0.093 9 0 "[ . 1]" 3
112 1 109 THR N 1 138 ILE O 2.850 . 3.000 2.960 2.883 3.028 0.028 9 0 "[ . 1]" 3
113 1 109 THR O 1 138 ILE H 1.900 . 2.000 2.028 1.968 2.069 0.069 7 0 "[ . 1]" 3
114 1 109 THR O 1 138 ILE N 2.850 . 3.000 2.978 2.919 3.035 0.035 8 0 "[ . 1]" 3
115 1 107 PHE O 1 140 TYR H 1.900 . 2.000 2.059 1.996 2.186 0.186 8 0 "[ . 1]" 3
116 1 107 PHE O 1 140 TYR N 2.850 . 3.000 2.932 2.748 3.109 0.109 8 0 "[ . 1]" 3
117 1 107 PHE H 1 140 TYR O 1.900 . 2.000 2.048 1.924 2.117 0.117 10 0 "[ . 1]" 3
118 1 107 PHE N 1 140 TYR O 2.850 . 3.000 2.960 2.856 3.071 0.071 1 0 "[ . 1]" 3
119 1 210 LEU O 1 227 ALA H 1.900 . 2.000 2.090 2.005 2.163 0.163 1 0 "[ . 1]" 3
120 1 210 LEU O 1 227 ALA N 2.850 . 3.000 2.919 2.848 2.962 . 0 0 "[ . 1]" 3
121 1 210 LEU H 1 227 ALA O 1.900 . 2.000 2.048 1.956 2.117 0.117 8 0 "[ . 1]" 3
122 1 210 LEU N 1 227 ALA O 2.850 . 3.000 2.974 2.851 3.100 0.100 8 0 "[ . 1]" 3
123 1 198 SER O 1 211 TYR H 1.900 . 2.000 2.037 1.935 2.117 0.117 5 0 "[ . 1]" 3
124 1 198 SER O 1 211 TYR N 2.850 . 3.000 2.926 2.795 3.045 0.045 10 0 "[ . 1]" 3
125 1 99 ALA H 1 196 SER O 1.900 . 2.000 2.093 2.041 2.150 0.150 9 0 "[ . 1]" 3
126 1 99 ALA N 1 196 SER O 2.850 . 3.000 3.053 3.003 3.091 0.091 9 0 "[ . 1]" 3
127 1 195 THR O 1 198 SER H 1.900 . 2.000 2.133 2.090 2.166 0.166 7 0 "[ . 1]" 3
128 1 195 THR O 1 198 SER N 2.850 . 3.000 2.986 2.828 3.082 0.082 4 0 "[ . 1]" 3
stop_
save_
Contact the webmaster for help, if required. Sunday, May 12, 2024 9:57:18 AM GMT (wattos1)