Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
611475 | 2n5e RC | 25710 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n5e
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 702
_Distance_constraint_stats_list.Viol_count 6129
_Distance_constraint_stats_list.Viol_total 1960990.000
_Distance_constraint_stats_list.Viol_max 65.125
_Distance_constraint_stats_list.Viol_rms 18.2621
_Distance_constraint_stats_list.Viol_average_all_restraints 27.9343
_Distance_constraint_stats_list.Viol_average_violations_only 31.9953
_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 13 VAL 50176.109 62.625 7 10 [***-**+***]
1 33 SER 80.753 8.683 10 10 [***-*****+]
1 34 LYS 95.846 10.334 7 10 [******+-**]
1 35 ASP 104.632 11.392 7 10 [******+-**]
1 40 LYS 182.323 19.271 7 10 [******+-**]
1 41 ALA 200.316 21.048 7 10 [******+-**]
1 42 LYS 206.942 21.835 7 10 [******+-**]
1 46 TYR 29876.438 65.125 10 10 [**-******+]
1 47 LEU 272.978 28.790 7 10 [******+-**]
1 48 ASP 298.007 31.347 7 10 [******+-**]
1 49 ASP 297.950 31.397 2 10 [*+*****-**]
1 50 PHE 294.534 31.406 2 10 [*+*****-**]
1 52 LYS 336.327 35.630 2 10 [*+*****-**]
1 55 GLN 366.774 39.006 2 10 [*+*****-**]
1 57 GLU 374.925 40.498 2 10 [*+*****-**]
1 58 MET 390.180 41.907 2 10 [*+*****-**]
1 59 GLU 416.602 44.585 2 10 [*+*****-**]
1 60 LEU 416.643 44.985 2 10 [*+*****-**]
1 61 TYR 413.862 44.675 2 10 [*+*****-**]
1 62 ARG 434.753 46.654 2 10 [*+*****-**]
1 63 GLN 451.404 48.551 2 10 [*+*****-**]
1 90 TYR 542.842 58.810 10 10 [***-*****+]
1 91 SER 524.230 57.094 10 10 [***-*****+]
1 92 ASP 533.326 58.094 10 10 [***-*****+]
1 93 GLU 538.380 58.697 10 10 [***-*****+]
1 94 LEU 24571.729 56.366 10 10 [*******-*+]
1 95 ARG 500.662 54.852 10 10 [***-*****+]
1 97 ARG 510.159 55.639 10 10 [***-*****+]
1 98 LEU 484.752 52.914 10 10 [***-*****+]
1 99 ALA 482.319 52.784 10 10 [***-*****+]
1 100 ALA 496.377 53.752 10 10 [***-*****+]
1 102 LEU 462.226 50.153 10 10 [***-*****+]
1 103 GLU 470.446 51.122 10 10 [***-*****+]
1 104 ALA 483.533 52.222 10 10 [***-*****+]
1 106 LYS 453.115 48.869 10 10 [***-*****+]
1 107 GLU 470.405 50.640 8 10 [***-***+**]
1 108 ASN 472.896 50.951 7 10 [***-**+***]
1 109 GLY 450.874 48.749 7 10 [***-**+***]
1 112 ARG 23169.705 52.293 8 10 [**-****+**]
1 113 LEU 427.232 47.759 8 10 [*******+-*]
1 115 GLU 437.105 47.986 8 10 [*******+-*]
1 118 ALA 409.405 45.393 8 10 [*******+-*]
1 119 LYS 395.462 43.317 8 10 [*******+-*]
1 120 ALA 370.262 41.171 8 10 [*******+-*]
1 121 THR 369.405 41.461 8 10 [*******+-*]
1 123 HIS 358.083 39.318 8 10 [*******+-*]
1 125 SER 344.554 38.243 8 10 [*******+-*]
1 126 THR 345.954 37.769 8 10 [*******+-*]
1 127 LEU 320.906 35.131 8 10 [*******+-*]
1 129 GLU 318.056 35.203 8 10 [*******+-*]
1 130 LYS 306.622 33.606 10 10 [********-+]
1 131 ALA 284.159 31.602 8 10 [*******+-*]
1 132 LYS 283.732 31.796 8 10 [*******+-*]
1 134 ALA 261.953 29.308 8 10 [*******+-*]
1 136 GLU 239.373 27.430 8 10 [*******+-*]
1 137 ASP 226.584 25.952 8 10 [*******+-*]
1 138 LEU 22162.266 55.780 5 10 [****+*****]
1 139 ARG 190.972 22.595 8 10 [*******+-*]
1 140 GLN 185.596 22.047 8 10 [*******+-*]
1 141 GLY 167.884 20.216 8 10 [*******+-*]
1 142 LEU 147.068 18.047 8 10 [*******+-*]
1 143 LEU 137.548 17.229 8 10 [*******+-*]
1 145 VAL 107.321 14.377 8 10 [*******+-*]
1 146 LEU 92.396 12.750 8 10 [*******+-*]
1 147 GLU 79.033 11.548 8 10 [*******+-*]
1 150 LYS 33.220 6.749 8 9 "[**-****+ *]"
1 151 VAL 24.953 5.960 8 7 "[** -.**+ *]"
1 154 LEU 1.931 1.770 8 1 "[ . + 1]"
1 156 ALA 0.000 0.000 . 0 "[ . 1]"
1 157 LEU 0.000 0.000 . 0 "[ . 1]"
1 159 GLU 25774.143 57.992 2 10 [*+*******-]
1 161 THR 0.000 0.000 . 0 "[ . 1]"
1 162 LYS 0.000 0.000 . 0 "[ . 1]"
1 163 LYS 0.000 0.000 . 0 "[ . 1]"
1 165 ASN 0.000 0.000 . 0 "[ . 1]"
1 167 GLN 0.000 0.000 . 0 "[ . 1]"
2 4 SER 1222.403 62.625 7 10 [******+*-*]
2 5 LYS 1203.033 60.439 7 10 [******+*-*]
2 6 LEU 1167.925 59.007 7 10 [****-*+***]
2 7 ARG 1739.094 65.125 10 10 [**-******+]
2 8 GLU 1744.679 64.044 7 10 [******+***]
2 9 GLN 1730.395 62.989 7 10 [******+***]
2 10 LEU 1693.750 61.073 7 10 [**-***+***]
2 11 GLY 1700.658 58.730 7 10 [******+-**]
2 13 VAL 23267.641 58.794 10 10 [**-******+]
2 14 THR 1614.074 53.785 8 10 [***-***+**]
2 15 GLN 1686.471 53.936 10 10 [******-**+]
2 16 GLU 1295.815 53.950 10 10 [*******-*+]
2 18 TRP 1582.680 50.893 8 10 [**-****+**]
2 19 ASP 1565.556 50.541 7 10 [****-*+***]
2 20 ASN 1692.106 50.650 10 10 [*******-*+]
2 22 GLU 1617.014 51.372 8 10 [*******+**]
2 23 LYS 1699.202 51.340 10 10 [*******-*+]
2 24 GLU 1670.923 50.922 10 10 [*******-*+]
2 26 GLU 1697.235 53.310 8 10 [*******+**]
2 27 GLY 1704.155 52.154 10 10 [*******-*+]
2 29 ARG 1682.552 54.245 8 10 [*-*****+**]
2 31 GLU 1697.358 52.753 10 10 [**-******+]
2 32 MET 1665.464 53.441 8 10 [*******+**]
2 33 SER 1810.972 55.722 8 10 [******-+**]
2 34 LYS 1876.133 55.146 10 10 [*-*******+]
2 35 ASP 1476.054 53.203 10 10 [*-*******+]
2 40 LYS 1745.220 56.473 7 10 [*-****+***]
2 41 ALA 2216.688 58.342 7 10 [*-****+***]
2 42 LYS 2172.629 56.703 7 10 [*-****+***]
2 46 TYR 1863.734 56.488 7 10 [****-*+***]
2 47 LEU 2288.237 56.794 7 10 [******+-**]
2 48 ASP 2448.551 58.095 7 10 [****-*+***]
2 49 ASP 2428.612 56.230 7 10 [****-*+***]
2 50 PHE 1908.477 54.081 7 10 [******+***]
2 52 LYS 2505.500 56.545 3 10 [**+*-*****]
2 55 GLN 2498.855 56.052 2 10 [*+****-***]
2 57 GLU 2528.941 55.640 5 10 [****+*-***]
2 58 MET 2383.004 55.777 2 10 [*+**-*****]
2 59 GLU 2676.247 57.992 2 10 [*+**-*****]
2 60 LEU 2660.122 57.485 5 10 [***-+*****]
2 61 TYR 2396.939 55.592 5 10 [****+*****]
2 62 ARG 2438.696 55.990 2 10 [*+*-******]
2 63 GLN 2756.297 57.750 5 10 [****+*****]
2 90 TYR 2635.791 58.794 10 10 [*******-*+]
2 91 SER 2507.028 57.063 10 10 [*******-*+]
2 92 ASP 2500.960 58.064 10 10 [*******-*+]
2 93 GLU 2471.719 58.685 10 10 [*******-*+]
2 94 LEU 2387.061 56.351 10 10 [*******-*+]
2 95 ARG 2282.510 54.807 10 10 [**-******+]
2 97 ARG 2326.077 55.524 10 10 [*-*******+]
2 98 LEU 2178.781 52.839 10 10 [****-****+]
2 99 ALA 2085.330 52.752 10 10 [*****-***+]
2 100 ALA 2188.990 53.731 10 10 [*-*******+]
2 102 LEU 2009.022 50.130 10 10 [****-****+]
2 103 GLU 1929.042 51.099 10 10 [*******-*+]
2 104 ALA 2116.219 52.198 10 10 [*******-*+]
2 106 LYS 1963.177 49.514 8 10 [*******+**]
2 107 GLU 2030.644 51.741 8 10 [*****-*+**]
2 108 ASN 1077.517 51.858 8 10 [*****-*+**]
2 109 GLY 1868.870 50.161 8 10 [****-**+**]
2 112 ARG 1959.396 50.836 8 10 [******-+**]
2 113 LEU 1882.281 49.715 8 10 [******-+**]
2 115 GLU 1976.182 51.654 8 10 [*******+*-]
2 118 ALA 1889.076 51.178 8 10 [*******+*-]
2 119 LYS 1857.074 49.865 10 10 [*********+]
2 120 ALA 1760.411 47.840 10 10 [*********+]
2 121 THR 1272.021 45.015 8 10 [*******+*-]
2 123 HIS 1269.866 43.959 8 10 [*******+*-]
2 124 LEU 855.551 48.177 10 10 [****-****+]
2 125 SER 1701.404 49.761 10 10 [*********+]
2 126 THR 1759.133 51.610 10 10 [*******-*+]
2 127 LEU 1679.114 50.028 10 10 [*******-*+]
2 129 GLU 1196.667 40.852 8 10 [*******+**]
2 130 LYS 1219.775 39.986 8 10 [*******+-*]
2 131 ALA 1663.665 49.442 10 10 [********-+]
2 132 LYS 1675.724 49.932 10 10 [********-+]
2 134 ALA 1717.243 50.142 10 10 [*********+]
2 136 GLU 1608.895 48.402 10 10 [*********+]
2 137 ASP 1671.943 48.898 10 10 [*********+]
2 139 ARG 1068.093 41.871 3 10 [**+**-****]
2 140 GLN 1516.993 45.594 10 10 [****-****+]
2 141 GLY 1116.246 45.219 3 10 [**+****-**]
2 142 LEU 1441.744 43.606 3 10 [**+****-**]
2 143 LEU 1435.955 44.617 3 10 [**+****-**]
2 145 VAL 787.945 46.163 3 10 [**+*****-*]
2 146 LEU 1393.443 43.799 3 10 [**+*****-*]
2 147 GLU 1398.966 45.366 6 10 [*****+**-*]
2 150 LYS 1249.475 44.794 6 10 [**-**+****]
2 151 VAL 1307.942 47.195 6 10 [*****+****]
2 152 SER 320.077 33.109 10 10 [******-**+]
2 154 LEU 1253.086 46.978 6 10 [*****+*-**]
2 156 ALA 1306.471 48.623 6 10 [*-***+****]
2 157 LEU 1280.229 47.664 6 10 [*-***+****]
2 159 GLU 1420.419 51.389 6 10 [*****+**-*]
2 161 THR 594.678 37.359 10 10 [********-+]
2 162 LYS 1512.048 53.391 7 10 [-*****+***]
2 163 LYS 1582.978 54.765 7 10 [******+***]
2 164 LEU 241.216 25.575 10 10 [*******-*+]
2 165 ASN 1563.570 55.960 7 10 [**-***+***]
2 167 GLN 1702.702 59.023 6 10 [*****+****]
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 13 VAL CB 2 137 ASP H . . 15.100 31.702 30.143 34.334 19.234 8 10 [*******+-*] 1
2 1 13 VAL CB 2 139 ARG H . . 13.800 31.268 29.432 33.867 20.067 8 10 [*******+-*] 1
3 1 13 VAL CB 2 140 GLN H . . 16.200 33.291 31.388 36.003 19.803 8 10 [*******+-*] 1
4 1 13 VAL CB 2 141 GLY H . . 15.200 35.548 33.802 37.686 22.486 8 10 [*******+-*] 1
5 1 13 VAL CB 2 142 LEU H . . 16.560 35.386 33.328 37.793 21.233 8 10 [*******+-*] 1
6 1 13 VAL CB 2 143 LEU H . . 17.200 36.237 33.883 38.701 21.501 8 10 [*******+-*] 1
7 1 13 VAL CB 2 145 VAL H . . 17.300 39.855 37.425 42.581 25.281 8 10 [*******+-*] 1
8 1 13 VAL CB 2 146 LEU H . . 14.500 38.850 36.201 41.595 27.095 8 10 [*******+-*] 1
9 1 13 VAL CB 2 147 GLU H . . 16.000 40.542 37.727 43.190 27.190 8 10 [*******+-*] 1
10 1 46 TYR CB 2 91 SER H . . 20.900 12.832 11.936 14.432 . 0 0 "[ . 1]" 1
11 1 46 TYR CB 2 92 ASP H . . 19.000 12.884 11.546 14.663 . 0 0 "[ . 1]" 1
12 1 46 TYR CB 2 93 GLU H . . 19.300 15.524 14.207 17.177 . 0 0 "[ . 1]" 1
13 1 46 TYR CB 2 94 LEU H . . 18.300 16.375 15.521 17.815 . 0 0 "[ . 1]" 1
14 1 46 TYR CB 2 95 ARG H . . 15.900 15.348 14.518 16.545 0.645 3 1 "[ + . 1]" 1
15 1 46 TYR CB 2 97 ARG H . . 16.300 19.411 18.148 20.546 4.246 3 10 [*-+*******] 1
16 1 46 TYR CB 2 98 LEU H . . 14.700 19.562 18.826 20.424 5.724 3 10 [**+*-*****] 1
17 1 46 TYR CB 2 99 ALA H . . 17.680 19.005 17.930 19.737 2.057 8 7 "[* * .-*+**]" 1
18 1 46 TYR CB 2 100 ALA H . . 14.200 21.234 19.630 22.199 7.999 8 10 [*-*****+**] 1
19 1 46 TYR CB 2 102 LEU H . . 16.000 23.156 22.256 23.884 7.884 8 10 [****-**+**] 1
20 1 46 TYR CB 2 104 ALA H . . 13.400 25.963 24.393 27.155 13.755 8 10 [*-*****+**] 1
21 1 46 TYR CB 2 106 LYS H . . 13.100 28.093 27.111 29.200 16.100 8 10 [*-*****+**] 1
22 1 46 TYR CB 2 107 GLU H . . 13.000 29.647 28.430 31.226 18.226 8 10 [*-*****+**] 1
23 1 46 TYR CB 2 109 GLY H . . 13.600 32.801 31.862 33.987 20.387 8 10 [*-*****+**] 1
24 1 46 TYR CB 2 112 ARG H . . 13.700 37.473 36.710 38.518 24.818 8 10 [*-*****+**] 1
25 1 46 TYR CB 2 113 LEU H . . 12.750 37.883 36.863 39.140 26.390 8 10 [*******+*-] 1
26 1 46 TYR CB 2 115 GLU H . . 12.650 42.033 40.948 43.135 30.485 8 10 [*******+*-] 1
27 1 46 TYR CB 2 118 ALA H . . 14.580 45.494 44.183 46.392 31.812 8 10 [*******+*-] 1
28 1 46 TYR CB 2 119 LYS H . . 15.400 46.219 45.373 46.825 31.425 3 10 [**+******-] 1
29 1 46 TYR CB 2 120 ALA H . . 15.400 45.937 45.287 46.499 31.099 3 10 [**+******-] 1
30 1 46 TYR CB 2 121 THR H . . 17.300 47.480 46.462 48.085 30.785 3 10 [**+******-] 1
31 1 46 TYR CB 2 123 HIS H . . 19.100 50.342 49.767 50.951 31.851 3 10 [**+****-**] 1
32 1 46 TYR CB 2 125 SER H . . 22.000 52.817 52.199 53.366 31.366 3 10 [**+******-] 1
33 1 46 TYR CB 2 126 THR H . . 22.000 55.049 54.259 55.639 33.639 3 10 [**+****-**] 1
34 1 94 LEU CB 2 46 TYR H . . 15.600 17.635 16.257 19.114 3.514 3 10 [**+*-*****] 1
35 1 94 LEU CB 2 47 LEU H . . 17.400 17.050 15.605 18.446 1.046 3 2 "[ + . - 1]" 1
36 1 94 LEU CB 2 48 ASP H . . 16.000 19.200 17.909 20.429 4.429 3 10 [**+*-*****] 1
37 1 94 LEU CB 2 49 ASP H . . 14.000 20.683 20.102 21.690 7.690 3 10 [**+*-*****] 1
38 1 94 LEU CB 2 50 PHE H . . 13.000 19.906 19.283 20.700 7.700 3 10 [**+***-***] 1
39 1 94 LEU CB 2 52 LYS H . . 15.000 22.956 22.512 23.706 8.706 3 10 [**+*-*****] 1
40 1 94 LEU CB 2 55 GLN H . . 14.800 25.897 25.484 26.502 11.702 3 10 [**+***-***] 1
41 1 94 LEU CB 2 57 GLU H . . 11.900 28.634 27.855 29.392 17.492 4 10 [***+**-***] 1
42 1 94 LEU CB 2 59 GLU H . . 14.300 31.500 30.983 32.093 17.793 4 10 [***+**-***] 1
43 1 94 LEU CB 2 60 LEU H . . 14.900 32.955 32.198 33.832 18.932 4 10 [***+**-***] 1
44 1 94 LEU CB 2 63 GLN H . . 13.900 36.478 35.861 37.197 23.297 4 10 [***+**-***] 1
45 1 94 LEU CB 2 90 TYR H . . 12.500 61.853 59.861 64.123 51.623 10 10 [****-****+] 1
46 1 94 LEU CB 2 91 SER H . . 13.100 60.298 58.053 62.789 49.689 10 10 [****-****+] 1
47 1 94 LEU CB 2 92 ASP H . . 13.700 61.731 59.123 64.376 50.676 10 10 [*-*******+] 1
48 1 94 LEU CB 2 93 GLU H . . 19.500 63.459 61.270 66.163 46.663 10 10 [****-****+] 1
49 1 94 LEU CB 2 94 LEU H . . 17.800 62.103 60.097 64.682 46.882 10 10 [****-****+] 1
50 1 94 LEU CB 2 95 ARG H . . 17.300 60.906 58.379 63.461 46.161 10 10 [****-****+] 1
51 1 94 LEU CB 2 97 ARG H . . 18.500 64.050 61.340 66.438 47.938 10 10 [****-****+] 1
52 1 112 ARG CB 2 34 LYS H . . 18.500 25.111 23.067 26.660 8.160 8 10 [*-*****+**] 1
53 1 112 ARG CB 2 35 ASP H . . 17.400 25.668 24.174 26.491 9.091 8 10 [*-*****+**] 1
54 1 112 ARG CB 2 40 LYS H . . 14.400 31.141 29.276 32.762 18.362 8 10 [*-*****+**] 1
55 1 112 ARG CB 2 41 ALA H . . 15.800 33.460 31.403 35.062 19.262 8 10 [*-*****+**] 1
56 1 112 ARG CB 2 42 LYS H . . 17.000 34.494 32.868 35.580 18.580 8 10 [*-*****+**] 1
57 1 112 ARG CB 2 46 TYR H . . 17.000 38.791 37.605 39.682 22.682 8 10 [*-*****+**] 1
58 1 112 ARG CB 2 47 LEU H . . 16.500 39.552 38.152 40.607 24.107 8 10 [*-*****+**] 1
59 1 112 ARG CB 2 48 ASP H . . 14.200 42.094 40.721 43.170 28.970 8 10 [*-*****+**] 1
60 1 112 ARG CB 2 49 ASP H . . 15.700 42.783 42.075 43.388 27.688 8 10 [*-*****+**] 1
61 1 112 ARG CB 2 50 PHE H . . 15.700 42.084 41.496 42.646 26.946 8 10 [*******+-*] 1
62 1 112 ARG CB 2 52 LYS H . . 17.000 46.058 45.474 46.785 29.785 8 10 [*******+-*] 1
63 1 112 ARG CB 2 55 GLN H . . 22.000 48.975 48.243 49.530 27.530 8 10 [*******+-*] 1
64 1 138 LEU CB 2 14 THR H . . 14.700 30.733 27.797 35.951 21.251 8 10 [***-***+**] 1
65 1 138 LEU CB 2 15 GLN H . . 12.300 32.578 29.399 37.975 25.675 8 10 [****-**+**] 1
66 1 138 LEU CB 2 16 GLU H . . 17.000 34.503 32.079 37.255 20.255 8 10 [****-**+**] 1
67 1 138 LEU CB 2 18 TRP H . . 14.400 33.775 31.753 37.880 23.480 8 10 [***-***+**] 1
68 1 138 LEU CB 2 19 ASP H . . 11.800 36.055 34.027 39.300 27.500 8 10 [****-**+**] 1
69 1 138 LEU CB 2 20 ASN H . . 13.100 37.528 36.063 39.242 26.142 10 10 [***-*****+] 1
70 1 138 LEU CB 2 22 GLU H . . 12.700 37.947 36.367 41.107 28.407 8 10 [****-**+**] 1
71 1 138 LEU CB 2 23 LYS H . . 12.400 40.300 38.769 42.142 29.742 8 10 [****-**+**] 1
72 1 138 LEU CB 2 24 GLU H . . 14.900 41.436 40.505 42.576 27.676 10 10 [****-****+] 1
73 1 159 GLU CB 2 157 LEU H . . 19.400 42.162 41.624 42.806 23.406 10 10 [*******-*+] 1
74 1 159 GLU CB 2 159 GLU H . . 18.100 45.290 44.682 46.257 28.157 6 10 [-****+****] 1
75 1 159 GLU CB 2 162 LYS H . . 14.500 48.544 47.617 49.457 34.957 10 10 [*******-*+] 1
76 1 159 GLU CB 2 163 LYS H . . 13.970 51.029 50.241 51.868 37.898 10 10 [*******-*+] 1
77 1 159 GLU CB 2 165 ASN H . . 15.500 52.494 51.445 53.671 38.171 10 10 [*******-*+] 1
78 1 159 GLU CB 2 167 GLN H . . 18.000 55.223 51.832 57.585 39.585 4 10 [***+****-*] 1
79 1 13 VAL CB 2 4 SER H . . 22.000 66.254 43.836 84.625 62.625 7 10 [******+*-*] 1
80 1 13 VAL CB 2 5 LYS H . . 22.000 65.739 44.744 82.439 60.439 7 10 [**-***+***] 1
81 1 13 VAL CB 2 6 LEU H . . 22.000 65.565 45.682 81.007 59.007 7 10 [******+*-*] 1
82 1 13 VAL CB 2 7 ARG H . . 22.000 65.532 46.518 80.359 58.359 7 10 [******+*-*] 1
83 1 13 VAL CB 2 8 GLU H . . 22.000 65.321 48.803 78.946 56.946 7 10 [**-***+***] 1
84 1 13 VAL CB 2 9 GLN H . . 22.000 64.921 49.754 76.926 54.926 7 10 [**-***+***] 1
85 1 13 VAL CB 2 10 LEU H . . 22.000 64.887 50.393 75.912 53.912 7 10 [******+*-*] 1
86 1 13 VAL CB 2 11 GLY H . . 22.000 64.901 52.560 74.062 52.062 7 10 [******+*-*] 1
87 1 13 VAL CB 2 13 VAL H . . 22.000 65.066 56.984 71.701 49.701 10 10 [********-+] 1
88 1 13 VAL CB 2 14 THR H . . 22.000 64.156 56.269 72.091 50.091 8 10 [*******+-*] 1
89 1 13 VAL CB 2 15 GLN H . . 22.000 65.989 58.556 72.928 50.928 8 10 [*******+-*] 1
90 1 13 VAL CB 2 16 GLU H . . 22.000 67.029 60.486 73.112 51.112 10 10 [********-+] 1
91 1 13 VAL CB 2 18 TRP H . . 22.000 64.892 58.445 72.321 50.321 8 10 [*******+-*] 1
92 1 13 VAL CB 2 19 ASP H . . 22.000 67.028 60.908 72.353 50.353 8 10 [*******+-*] 1
93 1 13 VAL CB 2 20 ASN H . . 22.000 67.594 62.297 72.650 50.650 10 10 [********-+] 1
94 1 13 VAL CB 2 22 GLU H . . 22.000 66.625 61.317 73.372 51.372 8 10 [*******+-*] 1
95 1 13 VAL CB 2 23 LYS H . . 22.000 68.782 63.922 73.340 51.340 10 10 [********-+] 1
96 1 13 VAL CB 2 24 GLU H . . 22.000 68.644 64.380 72.922 50.922 10 10 [********-+] 1
97 1 13 VAL CB 2 26 GLU H . . 22.000 69.714 65.006 75.310 53.310 8 10 [****-**+**] 1
98 1 13 VAL CB 2 27 GLY H . . 22.000 70.353 66.216 74.154 52.154 10 10 [***-*****+] 1
99 1 13 VAL CB 2 29 ARG H . . 22.000 70.633 65.765 76.245 54.245 8 10 [***-***+**] 1
100 1 13 VAL CB 2 31 GLU H . . 22.000 71.220 67.247 74.753 52.753 10 10 [***-*****+] 1
101 1 13 VAL CB 2 32 MET H . . 22.000 70.350 65.818 75.441 53.441 8 10 [***-***+**] 1
102 1 13 VAL CB 2 33 SER H . . 22.000 72.695 67.912 77.722 55.722 8 10 [***-***+**] 1
103 1 13 VAL CB 2 34 LYS H . . 22.000 73.672 69.617 77.146 55.146 10 10 [***-*****+] 1
104 1 13 VAL CB 2 35 ASP H . . 22.000 71.892 67.994 75.203 53.203 10 10 [***-*****+] 1
105 1 13 VAL CB 2 40 LYS H . . 22.000 74.982 70.514 78.473 56.473 7 10 [***-**+***] 1
106 1 13 VAL CB 2 41 ALA H . . 22.000 77.016 72.975 80.342 58.342 7 10 [***-**+***] 1
107 1 13 VAL CB 2 42 LYS H . . 22.000 75.571 72.012 78.703 56.703 7 10 [***-**+***] 1
108 1 13 VAL CB 2 46 TYR H . . 22.000 75.419 72.164 78.488 56.488 7 10 [***-**+***] 1
109 1 13 VAL CB 2 47 LEU H . . 22.000 75.271 71.144 78.794 56.794 7 10 [***-**+***] 1
110 1 13 VAL CB 2 48 ASP H . . 22.000 76.790 73.073 80.095 58.095 7 10 [***-**+***] 1
111 1 13 VAL CB 2 49 ASP H . . 22.000 75.408 72.701 78.230 56.230 7 10 [***-**+***] 1
112 1 13 VAL CB 2 50 PHE H . . 22.000 73.212 70.466 76.081 54.081 7 10 [***-**+***] 1
113 1 13 VAL CB 2 52 LYS H . . 22.000 75.492 73.102 78.108 56.108 7 10 [**-***+***] 1
114 1 13 VAL CB 2 55 GLN H . . 22.000 74.049 71.616 76.455 54.455 7 10 [**-***+***] 1
115 1 13 VAL CB 2 57 GLU H . . 22.000 72.462 69.763 75.351 53.351 2 10 [*+-*******] 1
116 1 13 VAL CB 2 58 MET H . . 22.000 72.381 69.661 75.233 53.233 2 10 [*+-*******] 1
117 1 13 VAL CB 2 59 GLU H . . 22.000 74.160 71.433 77.145 55.145 2 10 [*+-*******] 1
118 1 13 VAL CB 2 60 LEU H . . 22.000 73.166 70.384 76.398 54.398 2 10 [*+-*******] 1
119 1 13 VAL CB 2 61 TYR H . . 22.000 71.086 68.306 74.298 52.298 2 10 [*+-*******] 1
120 1 13 VAL CB 2 62 ARG H . . 22.000 71.177 68.409 74.354 52.354 2 10 [*+-*******] 1
121 1 13 VAL CB 2 63 GLN H . . 22.000 72.535 69.831 75.905 53.905 2 10 [*+-*******] 1
122 1 13 VAL CB 2 90 TYR H . . 22.000 47.678 45.781 49.018 27.018 10 10 [*******-*+] 1
123 1 13 VAL CB 2 91 SER H . . 22.000 45.478 43.483 46.775 24.775 2 10 [*+*****-**] 1
124 1 13 VAL CB 2 92 ASP H . . 22.000 43.798 41.598 45.122 23.122 10 10 [*******-*+] 1
125 1 13 VAL CB 2 93 GLU H . . 22.000 43.359 41.346 44.658 22.658 10 10 [*******-*+] 1
126 1 13 VAL CB 2 94 LEU H . . 22.000 42.239 40.108 43.694 21.694 10 10 [*******-*+] 1
127 1 13 VAL CB 2 95 ARG H . . 22.000 39.966 37.577 41.443 19.443 10 10 [*******-*+] 1
128 1 13 VAL CB 2 97 ARG H . . 22.000 38.139 36.575 39.376 17.376 10 10 [*******-*+] 1
129 1 13 VAL CB 2 98 LEU H . . 22.000 36.467 34.401 37.906 15.906 10 10 [*******-*+] 1
130 1 13 VAL CB 2 99 ALA H . . 22.000 34.527 32.510 35.838 13.838 10 10 [*******-*+] 1
131 1 13 VAL CB 2 100 ALA H . . 22.000 33.562 32.043 34.552 12.552 10 10 [*******-*+] 1
132 1 13 VAL CB 2 102 LEU H . . 22.000 30.590 28.733 31.718 9.718 2 10 [*+*****-**] 1
133 1 13 VAL CB 2 103 GLU H . . 22.000 28.775 27.137 29.763 7.763 2 10 [*+*****-**] 1
134 1 13 VAL CB 2 104 ALA H . . 22.000 28.594 27.640 29.471 7.471 10 10 [*******-*+] 1
135 1 13 VAL CB 2 106 LYS H . . 22.000 25.209 23.924 26.423 4.423 10 10 [*******-*+] 1
136 1 13 VAL CB 2 107 GLU H . . 22.000 24.234 23.394 25.086 3.086 9 10 [*****-**+*] 1
137 1 13 VAL CB 2 108 ASN H . . 22.000 23.958 23.205 24.943 2.943 9 10 [*****-**+*] 1
138 1 13 VAL CB 2 109 GLY H . . 22.000 22.077 21.093 23.241 1.241 10 3 "[ - *+]" 1
139 1 13 VAL CB 2 112 ARG H . . 22.000 19.142 18.230 20.207 . 0 0 "[ . 1]" 1
140 1 13 VAL CB 2 113 LEU H . . 22.000 17.012 15.964 18.041 . 0 0 "[ . 1]" 1
141 1 13 VAL CB 2 115 GLU H . . 22.000 16.738 15.393 18.203 . 0 0 "[ . 1]" 1
142 1 13 VAL CB 2 118 ALA H . . 22.000 14.713 13.149 16.852 . 0 0 "[ . 1]" 1
143 1 13 VAL CB 2 119 LYS H . . 22.000 16.771 15.359 18.653 . 0 0 "[ . 1]" 1
144 1 13 VAL CB 2 120 ALA H . . 22.000 16.771 16.101 17.743 . 0 0 "[ . 1]" 1
145 1 13 VAL CB 2 121 THR H . . 22.000 15.123 14.550 16.802 . 0 0 "[ . 1]" 1
146 1 13 VAL CB 2 123 HIS H . . 22.000 18.394 17.592 20.553 . 0 0 "[ . 1]" 1
147 1 13 VAL CB 2 125 SER H . . 22.000 17.767 17.198 20.513 . 0 0 "[ . 1]" 1
148 1 13 VAL CB 2 126 THR H . . 22.000 20.299 19.225 23.331 1.331 8 1 "[ . + 1]" 1
149 1 13 VAL CB 2 127 LEU H . . 22.000 21.806 21.279 24.320 2.320 8 1 "[ . + 1]" 1
150 1 13 VAL CB 2 129 GLU H . . 22.000 21.735 20.946 24.612 2.612 8 1 "[ . + 1]" 1
151 1 13 VAL CB 2 130 LYS H . . 22.000 24.457 23.674 27.267 5.267 8 10 [*******+-*] 1
152 1 13 VAL CB 2 131 ALA H . . 18.300 24.581 23.682 27.016 8.716 8 10 [*******+-*] 1
153 1 13 VAL CB 2 132 LYS H . . 17.900 24.631 23.490 27.355 9.455 8 10 [*******+-*] 1
154 1 13 VAL CB 2 134 ALA H . . 15.500 28.267 27.074 30.865 15.365 8 10 [*******+-*] 1
155 1 13 VAL CB 2 136 GLU H . . 17.900 28.870 27.278 31.560 13.660 8 10 [*******+-*] 1
156 1 13 VAL CB 2 150 LYS H . . 22.000 42.862 39.785 45.731 23.731 8 10 [*******+-*] 1
157 1 13 VAL CB 2 151 VAL H . . 22.000 44.952 41.778 47.847 25.847 8 10 [*******+-*] 1
158 1 13 VAL CB 2 154 LEU H . . 22.000 47.390 44.188 50.270 28.270 8 10 [*******+-*] 1
159 1 13 VAL CB 2 156 ALA H . . 22.000 51.106 47.877 53.986 31.986 10 10 [********-+] 1
160 1 13 VAL CB 2 157 LEU H . . 22.000 50.973 47.672 54.054 32.054 10 10 [********-+] 1
161 1 13 VAL CB 2 159 GLU H . . 22.000 54.514 51.172 57.513 35.513 10 10 [********-+] 1
162 1 13 VAL CB 2 161 THR H . . 22.000 55.963 52.685 59.359 37.359 10 10 [********-+] 1
163 1 13 VAL CB 2 162 LYS H . . 22.000 57.617 54.268 61.071 39.071 10 10 [********-+] 1
164 1 13 VAL CB 2 163 LYS H . . 22.000 60.064 56.794 63.404 41.404 10 10 [********-+] 1
165 1 13 VAL CB 2 165 ASN H . . 22.000 61.190 57.779 65.062 43.062 10 10 [**-******+] 1
166 1 13 VAL CB 2 167 GLN H . . 22.000 64.272 57.539 67.038 45.038 2 10 [*+******-*] 1
167 1 13 VAL CB 1 33 SER H . . 22.000 30.075 29.216 30.683 8.683 10 10 [***-*****+] 1
168 1 13 VAL CB 1 34 LYS H . . 22.000 31.585 30.289 32.334 10.334 7 10 [******+-**] 1
169 1 13 VAL CB 1 35 ASP H . . 22.000 32.463 31.083 33.392 11.392 7 10 [******+-**] 1
170 1 13 VAL CB 1 40 LYS H . . 22.000 40.232 38.685 41.271 19.271 7 10 [******+-**] 1
171 1 13 VAL CB 1 41 ALA H . . 22.000 42.032 40.054 43.048 21.048 7 10 [******+-**] 1
172 1 13 VAL CB 1 42 LYS H . . 22.000 42.694 40.415 43.835 21.835 7 10 [******+-**] 1
173 1 13 VAL CB 1 46 TYR H . . 22.000 47.723 45.280 49.112 27.112 2 10 [*+*****-**] 1
174 1 13 VAL CB 1 47 LEU H . . 22.000 49.298 47.169 50.790 28.790 7 10 [******+-**] 1
175 1 13 VAL CB 1 48 ASP H . . 22.000 51.801 49.577 53.347 31.347 7 10 [******+-**] 1
176 1 13 VAL CB 1 49 ASP H . . 22.000 51.795 49.107 53.397 31.397 2 10 [*+*****-**] 1
177 1 13 VAL CB 1 50 PHE H . . 22.000 51.453 48.913 53.406 31.406 2 10 [*+*****-**] 1
178 1 13 VAL CB 1 52 LYS H . . 22.000 55.633 53.017 57.630 35.630 2 10 [*+*****-**] 1
179 1 13 VAL CB 1 55 GLN H . . 22.000 58.677 55.890 61.006 39.006 2 10 [*+*****-**] 1
180 1 13 VAL CB 1 57 GLU H . . 22.000 59.493 56.629 62.498 40.498 2 10 [*+*****-**] 1
181 1 13 VAL CB 1 58 MET H . . 22.000 61.018 58.390 63.907 41.907 2 10 [*+*****-**] 1
182 1 13 VAL CB 1 59 GLU H . . 22.000 63.660 60.936 66.585 44.585 2 10 [*+*****-**] 1
183 1 13 VAL CB 1 60 LEU H . . 22.000 63.664 60.812 66.985 44.985 2 10 [*+*****-**] 1
184 1 13 VAL CB 1 61 TYR H . . 22.000 63.386 60.773 66.675 44.675 2 10 [*+*****-**] 1
185 1 13 VAL CB 1 62 ARG H . . 22.000 65.475 63.035 68.654 46.654 2 10 [*+*****-**] 1
186 1 13 VAL CB 1 63 GLN H . . 22.000 67.140 64.466 70.551 48.551 2 10 [*+*****-**] 1
187 1 13 VAL CB 1 90 TYR H . . 22.000 76.284 72.979 80.810 58.810 10 10 [***-*****+] 1
188 1 13 VAL CB 1 91 SER H . . 22.000 74.423 70.825 79.094 57.094 10 10 [***-*****+] 1
189 1 13 VAL CB 1 92 ASP H . . 22.000 75.333 71.534 80.094 58.094 10 10 [***-*****+] 1
190 1 13 VAL CB 1 93 GLU H . . 22.000 75.838 72.392 80.697 58.697 10 10 [***-*****+] 1
191 1 13 VAL CB 1 94 LEU H . . 22.000 73.509 70.068 78.366 56.366 10 10 [***-*****+] 1
192 1 13 VAL CB 1 95 ARG H . . 22.000 72.066 68.375 76.852 54.852 10 10 [***-*****+] 1
193 1 13 VAL CB 1 97 ARG H . . 22.000 73.016 69.060 77.639 55.639 10 10 [***-*****+] 1
194 1 13 VAL CB 1 98 LEU H . . 22.000 70.475 66.469 74.914 52.914 10 10 [***-*****+] 1
195 1 13 VAL CB 1 99 ALA H . . 22.000 70.232 65.960 74.784 52.784 10 10 [***-*****+] 1
196 1 13 VAL CB 1 100 ALA H . . 22.000 71.638 67.711 75.752 53.752 10 10 [***-*****+] 1
197 1 13 VAL CB 1 102 LEU H . . 22.000 68.223 64.488 72.153 50.153 10 10 [***-*****+] 1
198 1 13 VAL CB 1 103 GLU H . . 22.000 69.045 65.017 73.122 51.122 10 10 [***-*****+] 1
199 1 13 VAL CB 1 104 ALA H . . 22.000 70.353 66.649 74.222 52.222 10 10 [***-*****+] 1
200 1 13 VAL CB 1 106 LYS H . . 22.000 67.311 63.533 70.869 48.869 10 10 [***-*****+] 1
201 1 13 VAL CB 1 107 GLU H . . 22.000 69.041 65.343 72.640 50.640 8 10 [***-***+**] 1
202 1 13 VAL CB 1 108 ASN H . . 22.000 69.290 66.063 72.951 50.951 7 10 [***-**+***] 1
203 1 13 VAL CB 1 109 GLY H . . 22.000 67.087 63.756 70.749 48.749 7 10 [***-**+***] 1
204 1 13 VAL CB 1 112 ARG H . . 22.000 66.359 62.329 70.604 48.604 8 10 [*******+-*] 1
205 1 13 VAL CB 1 113 LEU H . . 22.000 64.723 60.400 69.759 47.759 8 10 [*******+-*] 1
206 1 13 VAL CB 1 115 GLU H . . 22.000 65.710 61.363 69.986 47.986 8 10 [*******+-*] 1
207 1 13 VAL CB 1 118 ALA H . . 22.000 62.940 58.387 67.393 45.393 8 10 [*******+-*] 1
208 1 13 VAL CB 1 119 LYS H . . 22.000 61.546 57.142 65.317 43.317 8 10 [*******+-*] 1
209 1 13 VAL CB 1 120 ALA H . . 22.000 59.026 54.558 63.171 41.171 8 10 [*******+-*] 1
210 1 13 VAL CB 1 121 THR H . . 22.000 58.941 54.117 63.461 41.461 8 10 [*******+-*] 1
211 1 13 VAL CB 1 123 HIS H . . 22.000 57.808 53.342 61.318 39.318 8 10 [*******+-*] 1
212 1 13 VAL CB 1 125 SER H . . 22.000 56.455 52.015 60.243 38.243 8 10 [*******+-*] 1
213 1 13 VAL CB 1 126 THR H . . 22.000 56.595 52.397 59.769 37.769 8 10 [*******+-*] 1
214 1 13 VAL CB 1 127 LEU H . . 22.000 54.091 49.938 57.131 35.131 8 10 [*******+-*] 1
215 1 13 VAL CB 1 129 GLU H . . 22.000 53.806 49.708 57.203 35.203 8 10 [*******+-*] 1
216 1 13 VAL CB 1 130 LYS H . . 22.000 52.662 48.770 55.606 33.606 10 10 [********-+] 1
217 1 13 VAL CB 1 131 ALA H . . 22.000 50.416 46.426 53.602 31.602 8 10 [*******+-*] 1
218 1 13 VAL CB 1 132 LYS H . . 22.000 50.373 46.411 53.796 31.796 8 10 [*******+-*] 1
219 1 13 VAL CB 1 134 ALA H . . 22.000 48.195 44.485 51.308 29.308 8 10 [*******+-*] 1
220 1 13 VAL CB 1 136 GLU H . . 22.000 45.937 42.175 49.430 27.430 8 10 [*******+-*] 1
221 1 13 VAL CB 1 137 ASP H . . 22.000 44.658 41.067 47.952 25.952 8 10 [*******+-*] 1
222 1 13 VAL CB 1 139 ARG H . . 22.000 41.097 37.409 44.595 22.595 8 10 [*******+-*] 1
223 1 13 VAL CB 1 140 GLN H . . 22.000 40.560 36.935 44.047 22.047 8 10 [*******+-*] 1
224 1 13 VAL CB 1 141 GLY H . . 22.000 38.788 35.143 42.216 20.216 8 10 [*******+-*] 1
225 1 13 VAL CB 1 142 LEU H . . 22.000 36.707 33.068 40.047 18.047 8 10 [*******+-*] 1
226 1 13 VAL CB 1 143 LEU H . . 22.000 35.755 32.233 39.229 17.229 8 10 [*******+-*] 1
227 1 13 VAL CB 1 145 VAL H . . 22.000 32.732 29.031 36.377 14.377 8 10 [*******+-*] 1
228 1 13 VAL CB 1 146 LEU H . . 22.000 31.240 27.569 34.750 12.750 8 10 [*******+-*] 1
229 1 13 VAL CB 1 147 GLU H . . 22.000 29.903 26.405 33.548 11.548 8 10 [*******+-*] 1
230 1 13 VAL CB 1 150 LYS H . . 22.000 25.303 21.811 28.749 6.749 8 9 "[**-****+ *]" 1
231 1 13 VAL CB 1 151 VAL H . . 22.000 24.415 21.194 27.960 5.960 8 7 "[** -.**+ *]" 1
232 1 13 VAL CB 1 154 LEU H . . 22.000 20.293 17.264 23.770 1.770 8 1 "[ . + 1]" 1
233 1 13 VAL CB 1 156 ALA H . . 22.000 16.485 13.545 20.006 . 0 0 "[ . 1]" 1
234 1 13 VAL CB 1 157 LEU H . . 22.000 15.827 13.230 19.134 . 0 0 "[ . 1]" 1
235 1 13 VAL CB 1 159 GLU H . . 22.000 14.819 12.925 18.033 . 0 0 "[ . 1]" 1
236 1 13 VAL CB 1 161 THR H . . 22.000 13.354 12.229 15.925 . 0 0 "[ . 1]" 1
237 1 13 VAL CB 1 162 LYS H . . 22.000 14.266 13.282 16.884 . 0 0 "[ . 1]" 1
238 1 13 VAL CB 1 163 LYS H . . 22.000 12.318 11.424 15.038 . 0 0 "[ . 1]" 1
239 1 13 VAL CB 1 165 ASN H . . 22.000 13.378 12.057 15.424 . 0 0 "[ . 1]" 1
240 1 13 VAL CB 1 167 GLN H . . 22.000 17.258 14.830 19.621 . 0 0 "[ . 1]" 1
241 2 13 VAL CB 2 33 SER H . . 22.000 30.075 29.216 30.694 8.694 10 10 [***-*****+] 1
242 2 13 VAL CB 2 34 LYS H . . 22.000 31.589 30.281 32.337 10.337 7 10 [******+-**] 1
243 2 13 VAL CB 2 35 ASP H . . 22.000 32.470 31.071 33.394 11.394 7 10 [******+-**] 1
244 2 13 VAL CB 2 40 LYS H . . 22.000 40.230 38.674 41.267 19.267 7 10 [******+-**] 1
245 2 13 VAL CB 2 41 ALA H . . 22.000 42.032 40.078 43.032 21.032 7 10 [******+-**] 1
246 2 13 VAL CB 2 42 LYS H . . 22.000 42.723 40.419 43.849 21.849 7 10 [******+-**] 1
247 2 13 VAL CB 2 46 TYR H . . 22.000 47.687 45.312 49.074 27.074 2 10 [*+*****-**] 1
248 2 13 VAL CB 2 47 LEU H . . 22.000 49.292 47.133 50.731 28.731 7 10 [******+-**] 1
249 2 13 VAL CB 2 48 ASP H . . 22.000 51.724 49.495 53.232 31.232 7 10 [******+-**] 1
250 2 13 VAL CB 2 49 ASP H . . 22.000 51.730 49.037 53.368 31.368 2 10 [*+*****-**] 1
251 2 13 VAL CB 2 50 PHE H . . 22.000 51.393 48.840 53.357 31.357 2 10 [*+*****-**] 1
252 2 13 VAL CB 2 52 LYS H . . 22.000 55.590 52.972 57.590 35.590 2 10 [*+*****-**] 1
253 2 13 VAL CB 2 55 GLN H . . 22.000 58.663 55.878 61.040 39.040 2 10 [*+*****-**] 1
254 2 13 VAL CB 2 57 GLU H . . 22.000 59.484 56.643 62.470 40.470 2 10 [*+*****-**] 1
255 2 13 VAL CB 2 58 MET H . . 22.000 61.018 58.399 63.935 41.935 2 10 [*+*****-**] 1
256 2 13 VAL CB 2 59 GLU H . . 22.000 63.663 60.969 66.607 44.607 2 10 [*+*****-**] 1
257 2 13 VAL CB 2 60 LEU H . . 22.000 63.662 60.839 66.926 44.926 2 10 [*+*****-**] 1
258 2 13 VAL CB 2 61 TYR H . . 22.000 63.389 60.785 66.654 44.654 2 10 [*+*****-**] 1
259 2 13 VAL CB 2 62 ARG H . . 22.000 65.471 63.045 68.618 46.618 2 10 [*+*****-**] 1
260 2 13 VAL CB 2 63 GLN H . . 22.000 67.111 64.470 70.499 48.499 2 10 [*+*****-**] 1
261 2 13 VAL CB 2 90 TYR H . . 22.000 76.285 72.981 80.794 58.794 10 10 [***-*****+] 1
262 2 13 VAL CB 2 91 SER H . . 22.000 74.418 70.846 79.063 57.063 10 10 [***-*****+] 1
263 2 13 VAL CB 2 92 ASP H . . 22.000 75.324 71.547 80.064 58.064 10 10 [***-*****+] 1
264 2 13 VAL CB 2 93 GLU H . . 22.000 75.832 72.338 80.685 58.685 10 10 [***-*****+] 1
265 2 13 VAL CB 2 94 LEU H . . 22.000 73.514 70.084 78.351 56.351 10 10 [***-*****+] 1
266 2 13 VAL CB 2 95 ARG H . . 22.000 72.050 68.270 76.807 54.807 10 10 [***-*****+] 1
267 2 13 VAL CB 2 97 ARG H . . 22.000 72.992 68.990 77.524 55.524 10 10 [***-*****+] 1
268 2 13 VAL CB 2 98 LEU H . . 22.000 70.455 66.451 74.839 52.839 10 10 [***-*****+] 1
269 2 13 VAL CB 2 99 ALA H . . 22.000 70.220 65.935 74.752 52.752 10 10 [***-*****+] 1
270 2 13 VAL CB 2 100 ALA H . . 22.000 71.622 67.677 75.731 53.731 10 10 [***-*****+] 1
271 2 13 VAL CB 2 102 LEU H . . 22.000 68.209 64.454 72.130 50.130 10 10 [***-*****+] 1
272 2 13 VAL CB 2 103 GLU H . . 22.000 69.051 65.031 73.099 51.099 10 10 [***-*****+] 1
273 2 13 VAL CB 2 104 ALA H . . 22.000 70.351 66.590 74.198 52.198 10 10 [***-*****+] 1
274 2 13 VAL CB 2 106 LYS H . . 22.000 67.317 63.543 70.821 48.821 10 10 [***-*****+] 1
275 2 13 VAL CB 2 107 GLU H . . 22.000 69.021 65.302 72.637 50.637 8 10 [***-***+**] 1
276 2 13 VAL CB 2 108 ASN H . . 22.000 69.265 66.020 72.934 50.934 7 10 [***-**+***] 1
277 2 13 VAL CB 2 109 GLY H . . 22.000 67.069 63.714 70.732 48.732 7 10 [***-**+***] 1
278 2 13 VAL CB 2 112 ARG H . . 22.000 66.345 62.343 70.608 48.608 8 10 [*******+-*] 1
279 2 13 VAL CB 2 113 LEU H . . 22.000 64.705 60.411 69.767 47.767 8 10 [*******+-*] 1
280 2 13 VAL CB 2 115 GLU H . . 22.000 65.691 61.375 69.991 47.991 8 10 [*******+-*] 1
281 2 13 VAL CB 2 118 ALA H . . 22.000 62.918 58.398 67.399 45.399 8 10 [*******+-*] 1
282 2 13 VAL CB 2 119 LYS H . . 22.000 61.525 57.154 65.322 43.322 8 10 [*******+-*] 1
283 2 13 VAL CB 2 120 ALA H . . 22.000 59.006 54.570 63.178 41.178 8 10 [*******+-*] 1
284 2 13 VAL CB 2 121 THR H . . 22.000 58.917 54.127 63.470 41.470 8 10 [*******+-*] 1
285 2 13 VAL CB 2 123 HIS H . . 22.000 57.790 53.353 61.326 39.326 8 10 [*******+-*] 1
286 2 13 VAL CB 2 125 SER H . . 22.000 56.433 52.024 60.255 38.255 8 10 [*******+-*] 1
287 2 13 VAL CB 2 126 THR H . . 22.000 56.575 52.408 59.777 37.777 8 10 [*******+-*] 1
288 2 13 VAL CB 2 127 LEU H . . 22.000 54.071 49.950 57.138 35.138 8 10 [*******+-*] 1
289 2 13 VAL CB 2 129 GLU H . . 22.000 53.784 49.721 57.219 35.219 8 10 [*******+-*] 1
290 2 13 VAL CB 2 130 LYS H . . 22.000 52.644 48.786 55.579 33.579 8 10 [*******+-*] 1
291 2 13 VAL CB 2 131 ALA H . . 22.000 50.396 46.441 53.617 31.617 8 10 [*******+-*] 1
292 2 13 VAL CB 2 132 LYS H . . 22.000 50.353 46.426 53.817 31.817 8 10 [*******+-*] 1
293 2 13 VAL CB 2 134 ALA H . . 22.000 48.184 44.513 51.327 29.327 8 10 [*******+-*] 1
294 2 13 VAL CB 2 136 GLU H . . 22.000 45.918 42.193 49.455 27.455 8 10 [*******+-*] 1
295 2 13 VAL CB 2 137 ASP H . . 22.000 44.637 41.081 47.973 25.973 8 10 [*******+-*] 1
296 2 13 VAL CB 2 139 ARG H . . 22.000 41.076 37.422 44.620 22.620 8 10 [*******+-*] 1
297 2 13 VAL CB 2 140 GLN H . . 22.000 40.538 36.946 44.072 22.072 8 10 [*******+-*] 1
298 2 13 VAL CB 2 141 GLY H . . 22.000 38.767 35.156 42.238 20.238 8 10 [*******+-*] 1
299 2 13 VAL CB 2 142 LEU H . . 22.000 36.685 33.081 40.068 18.068 8 10 [*******+-*] 1
300 2 13 VAL CB 2 143 LEU H . . 22.000 35.732 32.245 39.257 17.257 8 10 [*******+-*] 1
301 2 13 VAL CB 2 145 VAL H . . 22.000 32.712 29.043 36.401 14.401 8 10 [*******+-*] 1
302 2 13 VAL CB 2 146 LEU H . . 22.000 31.218 27.581 34.775 12.775 8 10 [*******+-*] 1
303 2 13 VAL CB 2 147 GLU H . . 22.000 29.881 26.416 33.580 11.580 8 10 [*******+-*] 1
304 2 13 VAL CB 2 150 LYS H . . 22.000 25.281 21.823 28.782 6.782 8 9 "[**-****+ *]" 1
305 2 13 VAL CB 2 151 VAL H . . 22.000 24.392 21.204 27.995 5.995 8 6 "[** .-*+ *]" 1
306 2 13 VAL CB 2 154 LEU H . . 22.000 20.269 17.273 23.811 1.811 8 1 "[ . + 1]" 1
307 2 13 VAL CB 2 156 ALA H . . 22.000 16.462 13.550 20.047 . 0 0 "[ . 1]" 1
308 2 13 VAL CB 2 157 LEU H . . 22.000 15.802 13.235 19.182 . 0 0 "[ . 1]" 1
309 2 13 VAL CB 2 159 GLU H . . 22.000 14.795 12.921 18.084 . 0 0 "[ . 1]" 1
310 2 13 VAL CB 2 161 THR H . . 22.000 13.328 12.199 15.985 . 0 0 "[ . 1]" 1
311 2 13 VAL CB 2 162 LYS H . . 22.000 14.242 13.259 16.946 . 0 0 "[ . 1]" 1
312 2 13 VAL CB 2 163 LYS H . . 22.000 12.296 11.411 15.099 . 0 0 "[ . 1]" 1
313 2 13 VAL CB 2 165 ASN H . . 22.000 13.358 12.061 15.497 . 0 0 "[ . 1]" 1
314 2 13 VAL CB 2 167 GLN H . . 22.000 17.240 14.845 19.604 . 0 0 "[ . 1]" 1
315 1 46 TYR CB 2 7 ARG H . . 22.000 74.993 62.469 87.125 65.125 10 10 [****-****+] 1
316 1 46 TYR CB 2 8 GLU H . . 22.000 75.391 63.913 86.044 64.044 7 10 [****-*+***] 1
317 1 46 TYR CB 2 9 GLN H . . 22.000 75.744 64.693 84.989 62.989 7 10 [******+*-*] 1
318 1 46 TYR CB 2 10 LEU H . . 22.000 75.147 65.830 83.073 61.073 7 10 [******+*-*] 1
319 1 46 TYR CB 2 11 GLY H . . 22.000 75.084 68.579 80.730 58.730 7 10 [******+*-*] 1
320 1 46 TYR CB 2 13 VAL H . . 22.000 74.453 70.767 78.033 56.033 7 10 [***-**+***] 1
321 1 46 TYR CB 2 14 THR H . . 22.000 72.631 68.996 75.785 53.785 8 10 [***-***+**] 1
322 1 46 TYR CB 2 15 GLN H . . 22.000 73.133 69.702 75.936 53.936 10 10 [****-****+] 1
323 1 46 TYR CB 2 16 GLU H . . 22.000 73.155 70.598 75.950 53.950 10 10 [****-****+] 1
324 1 46 TYR CB 2 18 TRP H . . 22.000 69.376 66.349 72.893 50.893 8 10 [****-**+**] 1
325 1 46 TYR CB 2 19 ASP H . . 22.000 70.372 67.596 72.541 50.541 7 10 [****-*+***] 1
326 1 46 TYR CB 2 20 ASN H . . 22.000 70.233 68.074 72.564 50.564 7 10 [****-*+***] 1
327 1 46 TYR CB 2 22 GLU H . . 22.000 67.187 64.154 70.619 48.619 8 10 [****-**+**] 1
328 1 46 TYR CB 2 23 LYS H . . 22.000 68.390 65.658 70.153 48.153 6 10 [****-+****] 1
329 1 46 TYR CB 2 24 GLU H . . 22.000 67.334 64.932 69.065 47.065 7 10 [****-*+***] 1
330 1 46 TYR CB 2 26 GLU H . . 22.000 66.084 63.131 68.899 46.899 8 10 [****-**+**] 1
331 1 46 TYR CB 2 27 GLY H . . 22.000 65.198 62.572 67.129 45.129 6 10 [****-+****] 1
332 1 46 TYR CB 2 29 ARG H . . 22.000 63.221 60.214 66.713 44.713 8 10 [****-**+**] 1
333 1 46 TYR CB 2 31 GLU H . . 22.000 61.753 59.300 63.446 41.446 8 10 [****-**+**] 1
334 1 46 TYR CB 2 32 MET H . . 22.000 59.910 57.016 63.438 41.438 8 10 [*-*****+**] 1
335 1 46 TYR CB 2 33 SER H . . 22.000 61.060 57.998 64.565 42.565 8 10 [*-*****+**] 1
336 1 46 TYR CB 2 34 LYS H . . 22.000 60.951 58.365 62.918 40.918 8 10 [*-*****+**] 1
337 1 46 TYR CB 2 40 LYS H . . 22.000 56.215 53.342 58.695 36.695 8 10 [*-*****+**] 1
338 1 46 TYR CB 2 41 ALA H . . 22.000 57.256 54.726 59.159 37.159 8 10 [****-**+**] 1
339 1 46 TYR CB 2 42 LYS H . . 22.000 55.001 52.727 56.573 34.573 8 10 [****-**+**] 1
340 1 46 TYR CB 2 46 TYR H . . 22.000 51.220 49.046 52.500 30.500 8 10 [****-**+**] 1
341 1 46 TYR CB 2 47 LEU H . . 22.000 49.930 46.982 51.590 29.590 8 10 [****-**+**] 1
342 1 46 TYR CB 2 48 ASP H . . 22.000 49.974 47.476 51.315 29.315 8 10 [****-**+**] 1
343 1 46 TYR CB 2 49 ASP H . . 22.000 48.276 46.329 49.308 27.308 8 10 [****-**+**] 1
344 1 46 TYR CB 2 50 PHE H . . 22.000 45.926 43.891 47.119 25.119 8 10 [****-**+**] 1
345 1 46 TYR CB 2 52 LYS H . . 22.000 45.632 43.852 46.569 24.569 8 10 [****-**+**] 1
346 1 46 TYR CB 2 55 GLN H . . 22.000 41.738 40.346 42.507 20.507 8 10 [****-**+**] 1
347 1 46 TYR CB 2 57 GLU H . . 22.000 39.320 38.529 39.891 17.891 8 10 [****-**+**] 1
348 1 46 TYR CB 2 58 MET H . . 22.000 38.107 37.295 38.733 16.733 8 10 [****-**+**] 1
349 1 46 TYR CB 2 59 GLU H . . 22.000 38.482 37.899 39.015 17.015 8 10 [****-**+**] 1
350 1 46 TYR CB 2 60 LEU H . . 22.000 37.377 36.983 37.818 15.818 8 10 [***-***+**] 1
351 1 46 TYR CB 2 61 TYR H . . 22.000 35.010 34.576 35.462 13.462 8 10 [****-**+**] 1
352 1 46 TYR CB 2 62 ARG H . . 22.000 33.667 33.296 34.134 12.134 8 10 [***-***+**] 1
353 1 46 TYR CB 2 63 GLN H . . 22.000 34.359 34.167 34.731 12.731 8 10 [****-**+**] 1
354 1 46 TYR CB 2 90 TYR H . . 22.000 14.449 13.365 16.180 . 0 0 "[ . 1]" 1
355 1 46 TYR CB 2 127 LEU H . . 22.000 55.035 53.859 55.616 33.616 3 10 [**+****-**] 1
356 1 46 TYR CB 2 129 GLU H . . 22.000 57.813 56.873 58.303 36.303 3 10 [**+****-**] 1
357 1 46 TYR CB 2 130 LYS H . . 22.000 59.457 58.198 59.962 37.962 3 10 [**+****-**] 1
358 1 46 TYR CB 2 131 ALA H . . 22.000 58.960 57.666 59.454 37.454 3 10 [**+****-**] 1
359 1 46 TYR CB 2 132 LYS H . . 22.000 60.485 59.489 60.969 38.969 3 10 [**+****-**] 1
360 1 46 TYR CB 2 134 ALA H . . 22.000 62.889 61.495 63.413 41.413 3 10 [**+****-**] 1
361 1 46 TYR CB 2 136 GLU H . . 22.000 63.811 62.793 64.326 42.326 3 10 [**+****-**] 1
362 1 46 TYR CB 2 137 ASP H . . 22.000 65.742 64.454 66.287 44.287 3 10 [**+****-**] 1
363 1 46 TYR CB 2 139 ARG H . . 22.000 63.403 62.461 63.871 41.871 3 10 [**+****-**] 1
364 1 46 TYR CB 2 140 GLN H . . 22.000 65.799 64.839 66.235 44.235 3 10 [**+****-**] 1
365 1 46 TYR CB 2 141 GLY H . . 22.000 66.564 64.934 67.219 45.219 3 10 [**+****-**] 1
366 1 46 TYR CB 2 142 LEU H . . 22.000 64.991 63.439 65.606 43.606 3 10 [**+****-**] 1
367 1 46 TYR CB 2 143 LEU H . . 22.000 66.084 64.743 66.617 44.617 3 10 [**+****-**] 1
368 1 46 TYR CB 2 145 VAL H . . 22.000 67.528 66.687 68.163 46.163 3 10 [**+****-**] 1
369 1 46 TYR CB 2 146 LEU H . . 22.000 65.279 64.451 65.799 43.799 3 10 [**+****-**] 1
370 1 46 TYR CB 2 147 GLU H . . 22.000 66.920 66.133 67.366 45.366 6 10 [*****+*-**] 1
371 1 46 TYR CB 2 150 LYS H . . 22.000 65.859 65.014 66.794 44.794 6 10 [*-***+****] 1
372 1 46 TYR CB 2 151 VAL H . . 22.000 68.243 67.391 69.195 47.195 6 10 [*-***+****] 1
373 1 46 TYR CB 2 154 LEU H . . 22.000 67.918 67.058 68.978 46.978 6 10 [*-***+****] 1
374 1 46 TYR CB 2 156 ALA H . . 22.000 69.563 68.847 70.623 48.623 6 10 [*-***+****] 1
375 1 46 TYR CB 2 157 LEU H . . 22.000 68.546 67.892 69.664 47.664 6 10 [*-***+****] 1
376 1 46 TYR CB 2 159 GLU H . . 22.000 72.448 71.889 73.389 51.389 6 10 [*-***+****] 1
377 1 46 TYR CB 2 162 LYS H . . 22.000 74.653 74.101 75.391 53.391 7 10 [*-****+***] 1
378 1 46 TYR CB 2 163 LYS H . . 22.000 76.092 75.248 76.765 54.765 7 10 [***-**+***] 1
379 1 46 TYR CB 2 165 ASN H . . 22.000 76.320 75.347 77.960 55.960 7 10 [***-**+***] 1
380 1 46 TYR CB 2 167 GLN H . . 22.000 80.409 79.030 81.023 59.023 6 10 [*****+***-] 1
381 1 94 LEU CB 2 4 SER H . . 22.000 45.366 35.005 54.174 32.174 10 10 [*******-*+] 1
382 1 94 LEU CB 2 5 LYS H . . 22.000 46.055 35.632 54.342 32.342 10 10 [*******-*+] 1
383 1 94 LEU CB 2 6 LEU H . . 22.000 45.044 34.343 52.525 30.525 10 10 [*******-*+] 1
384 1 94 LEU CB 2 7 ARG H . . 22.000 43.746 35.399 50.173 28.173 10 10 [*******-*+] 1
385 1 94 LEU CB 2 8 GLU H . . 22.000 44.346 37.714 50.217 28.217 10 10 [*******-*+] 1
386 1 94 LEU CB 2 9 GLN H . . 22.000 44.899 37.851 50.063 28.063 10 10 [*******-*+] 1
387 1 94 LEU CB 2 10 LEU H . . 22.000 43.677 37.385 47.780 25.780 10 10 [*******-*+] 1
388 1 94 LEU CB 2 11 GLY H . . 22.000 43.276 39.766 45.855 23.855 10 10 [*******-*+] 1
389 1 94 LEU CB 2 13 VAL H . . 22.000 42.044 40.407 43.575 21.575 10 10 [*******-*+] 1
390 1 94 LEU CB 2 14 THR H . . 22.000 39.776 38.490 41.236 19.236 10 10 [**-******+] 1
391 1 94 LEU CB 2 15 GLN H . . 22.000 38.339 37.178 39.643 17.643 10 10 [******-**+] 1
392 1 94 LEU CB 2 16 GLU H . . 22.000 37.895 35.926 39.170 17.170 10 10 [*******-*+] 1
393 1 94 LEU CB 2 18 TRP H . . 22.000 34.007 33.107 35.163 13.163 2 10 [*+-*******] 1
394 1 94 LEU CB 2 20 ASN H . . 22.000 33.389 29.930 34.683 12.683 10 10 [*******-*+] 1
395 1 94 LEU CB 2 22 GLU H . . 22.000 29.348 28.232 30.361 8.361 10 10 [*******-*+] 1
396 1 94 LEU CB 2 23 LYS H . . 22.000 29.324 27.088 30.408 8.408 10 10 [*******-*+] 1
397 1 94 LEU CB 2 24 GLU H . . 22.000 28.965 24.723 30.182 8.182 10 10 [*******-*+] 1
398 1 94 LEU CB 2 26 GLU H . . 22.000 25.445 23.864 26.297 4.297 10 10 [*******-*+] 1
399 1 94 LEU CB 2 27 GLY H . . 22.000 24.656 22.541 25.501 3.501 10 10 [*******-*+] 1
400 1 94 LEU CB 2 29 ARG H . . 22.000 20.392 19.619 20.947 . 0 0 "[ . 1]" 1
401 1 94 LEU CB 2 31 GLU H . . 22.000 20.162 19.074 21.031 . 0 0 "[ . 1]" 1
402 1 94 LEU CB 2 32 MET H . . 22.000 17.568 16.626 18.246 . 0 0 "[ . 1]" 1
403 1 94 LEU CB 2 33 SER H . . 22.000 16.741 15.946 17.705 . 0 0 "[ . 1]" 1
404 1 94 LEU CB 2 35 ASP H . . 22.000 16.686 15.796 17.639 . 0 0 "[ . 1]" 1
405 1 94 LEU CB 2 40 LYS H . . 22.000 13.597 11.944 15.191 . 0 0 "[ . 1]" 1
406 1 94 LEU CB 2 41 ALA H . . 22.000 15.582 13.447 17.640 . 0 0 "[ . 1]" 1
407 1 94 LEU CB 2 42 LYS H . . 22.000 16.223 14.627 17.680 . 0 0 "[ . 1]" 1
408 1 94 LEU CB 2 98 LEU H . . 22.000 62.221 59.614 64.368 42.368 10 10 [****-****+] 1
409 1 94 LEU CB 2 99 ALA H . . 22.000 62.004 58.769 64.521 42.521 10 10 [****-****+] 1
410 1 94 LEU CB 2 100 ALA H . . 22.000 64.441 61.284 66.778 44.778 10 10 [****-****+] 1
411 1 94 LEU CB 2 102 LEU H . . 22.000 62.855 60.134 64.772 42.772 10 10 [****-****+] 1
412 1 94 LEU CB 2 103 GLU H . . 22.000 63.941 60.762 66.249 44.249 10 10 [****-****+] 1
413 1 94 LEU CB 2 104 ALA H . . 22.000 66.247 63.384 68.418 46.418 10 10 [****-****+] 1
414 1 94 LEU CB 2 106 LYS H . . 22.000 65.082 62.571 67.131 45.131 8 10 [****-**+**] 1
415 1 94 LEU CB 2 107 GLU H . . 22.000 67.304 64.636 69.727 47.727 8 10 [****-**+**] 1
416 1 94 LEU CB 2 109 GLY H . . 22.000 67.615 65.519 69.530 47.530 8 10 [****-**+**] 1
417 1 94 LEU CB 2 112 ARG H . . 22.000 69.734 67.578 71.820 49.820 8 10 [****-**+**] 1
418 1 94 LEU CB 2 113 LEU H . . 22.000 68.610 66.374 71.250 49.250 8 10 [****-**+**] 1
419 1 94 LEU CB 2 115 GLU H . . 22.000 71.795 69.890 73.654 51.654 8 10 [****-**+**] 1
420 1 94 LEU CB 2 118 ALA H . . 22.000 71.589 70.099 73.178 51.178 8 10 [****-**+**] 1
421 1 94 LEU CB 2 119 LYS H . . 22.000 71.084 69.816 71.865 49.865 10 10 [****-****+] 1
422 1 94 LEU CB 2 120 ALA H . . 22.000 68.969 67.765 69.840 47.840 10 10 [****-****+] 1
423 1 94 LEU CB 2 124 LEU H . . 22.000 69.031 68.296 70.177 48.177 10 10 [****-****+] 1
424 1 94 LEU CB 2 125 SER H . . 22.000 70.883 70.181 71.761 49.761 10 10 [****-****+] 1
425 1 94 LEU CB 2 126 THR H . . 22.000 72.388 71.713 73.610 51.610 10 10 [*******-*+] 1
426 1 94 LEU CB 2 127 LEU H . . 22.000 70.558 69.536 72.028 50.028 10 10 [*******-*+] 1
427 1 94 LEU CB 2 131 ALA H . . 22.000 69.945 68.599 71.442 49.442 10 10 [*******-*+] 1
428 1 94 LEU CB 2 132 LYS H . . 22.000 70.620 69.450 71.932 49.932 10 10 [*******-*+] 1
429 1 94 LEU CB 2 134 ALA H . . 22.000 70.503 68.885 72.142 50.142 10 10 [*******-*+] 1
430 1 94 LEU CB 2 136 GLU H . . 22.000 69.055 67.628 70.402 48.402 10 10 [*******-*+] 1
431 1 94 LEU CB 2 137 ASP H . . 22.000 69.354 67.706 70.898 48.898 10 10 [*******-*+] 1
432 1 94 LEU CB 2 140 GLN H . . 22.000 66.101 64.529 67.594 45.594 10 10 [*******-*+] 1
433 1 94 LEU CB 2 142 LEU H . . 22.000 62.910 61.056 64.452 42.452 10 10 [*******-*+] 1
434 1 94 LEU CB 2 143 LEU H . . 22.000 62.567 60.764 64.099 42.099 10 10 [*******-*+] 1
435 1 94 LEU CB 2 146 LEU H . . 22.000 58.831 57.472 60.145 38.145 10 10 [*******-*+] 1
436 1 94 LEU CB 2 147 GLU H . . 22.000 58.608 57.207 59.981 37.981 10 10 [*******-*+] 1
437 1 94 LEU CB 2 150 LYS H . . 22.000 54.364 53.091 55.784 33.784 10 10 [*******-*+] 1
438 1 94 LEU CB 2 151 VAL H . . 22.000 55.102 53.862 56.441 34.441 10 10 [*******-*+] 1
439 1 94 LEU CB 2 152 SER H . . 22.000 54.008 52.651 55.109 33.109 10 10 [******-**+] 1
440 1 94 LEU CB 2 154 LEU H . . 22.000 51.287 50.175 52.424 30.424 10 10 [*******-*+] 1
441 1 94 LEU CB 2 156 ALA H . . 22.000 49.754 48.398 50.814 28.814 10 10 [******-**+] 1
442 1 94 LEU CB 2 157 LEU H . . 22.000 47.763 46.513 48.852 26.852 10 10 [*******-*+] 1
443 1 94 LEU CB 2 159 GLU H . . 22.000 49.488 48.084 50.563 28.563 10 10 [*******-*+] 1
444 1 94 LEU CB 2 161 THR H . . 22.000 46.687 44.758 48.154 26.154 10 10 [*******-*+] 1
445 1 94 LEU CB 2 162 LYS H . . 22.000 48.667 46.723 50.263 28.263 10 10 [*******-*+] 1
446 1 94 LEU CB 2 163 LYS H . . 22.000 48.520 47.031 49.826 27.826 10 10 [*******-*+] 1
447 1 94 LEU CB 2 164 LEU H . . 22.000 46.122 44.560 47.575 25.575 10 10 [*******-*+] 1
448 1 94 LEU CB 2 165 ASN H . . 22.000 46.921 45.049 48.941 26.941 10 10 [*******-*+] 1
449 1 94 LEU CB 2 167 GLN H . . 22.000 49.888 48.427 52.360 30.360 9 10 [*******-+*] 1
450 1 112 ARG CB 2 4 SER H . . 22.000 26.604 20.001 30.094 8.094 10 9 "[****- ***+]" 1
451 1 112 ARG CB 2 5 LYS H . . 22.000 26.395 20.409 29.563 7.563 10 9 "[****- ***+]" 1
452 1 112 ARG CB 2 6 LEU H . . 22.000 24.897 18.318 27.372 5.372 10 9 "[***** **-+]" 1
453 1 112 ARG CB 2 7 ARG H . . 22.000 23.434 16.902 26.547 4.547 8 8 "[**-*. *+**]" 1
454 1 112 ARG CB 2 8 GLU H . . 22.000 23.526 18.347 27.680 5.680 8 6 "[** . -+**]" 1
455 1 112 ARG CB 2 9 GLN H . . 22.000 23.362 18.404 26.371 4.371 8 8 "[***** -+ *]" 1
456 1 112 ARG CB 2 10 LEU H . . 22.000 21.799 16.243 24.909 2.909 8 3 "[ -*. + 1]" 1
457 1 112 ARG CB 2 11 GLY H . . 22.000 20.974 16.313 25.738 3.738 8 1 "[ . + 1]" 1
458 1 112 ARG CB 2 13 VAL H . . 22.000 19.893 19.228 21.615 . 0 0 "[ . 1]" 1
459 1 112 ARG CB 2 14 THR H . . 22.000 17.493 16.543 19.539 . 0 0 "[ . 1]" 1
460 1 112 ARG CB 2 15 GLN H . . 22.000 16.146 15.082 20.074 . 0 0 "[ . 1]" 1
461 1 112 ARG CB 2 16 GLU H . . 22.000 17.072 15.960 19.550 . 0 0 "[ . 1]" 1
462 1 112 ARG CB 2 18 TRP H . . 22.000 13.765 12.917 15.870 . 0 0 "[ . 1]" 1
463 1 112 ARG CB 2 19 ASP H . . 22.000 14.015 12.398 17.139 . 0 0 "[ . 1]" 1
464 1 112 ARG CB 2 20 ASN H . . 22.000 15.872 14.646 16.817 . 0 0 "[ . 1]" 1
465 1 112 ARG CB 2 22 GLU H . . 22.000 13.387 12.117 15.114 . 0 0 "[ . 1]" 1
466 1 112 ARG CB 2 23 LYS H . . 22.000 14.965 13.394 16.608 . 0 0 "[ . 1]" 1
467 1 112 ARG CB 2 24 GLU H . . 22.000 16.845 15.369 17.902 . 0 0 "[ . 1]" 1
468 1 112 ARG CB 2 26 GLU H . . 22.000 16.163 14.434 17.259 . 0 0 "[ . 1]" 1
469 1 112 ARG CB 2 27 GLY H . . 22.000 18.415 16.780 19.423 . 0 0 "[ . 1]" 1
470 1 112 ARG CB 2 29 ARG H . . 22.000 17.926 15.932 20.132 . 0 0 "[ . 1]" 1
471 1 112 ARG CB 2 31 GLU H . . 22.000 21.725 20.018 22.756 0.756 8 2 "[ - . + 1]" 1
472 1 112 ARG CB 2 32 MET H . . 22.000 21.238 19.650 22.872 0.872 8 1 "[ . + 1]" 1
473 1 112 ARG CB 2 33 SER H . . 22.000 22.542 20.363 25.010 3.010 8 6 "[* * .*-+ *]" 1
474 1 112 ARG CB 2 57 GLU H . . 22.000 50.652 49.582 51.462 29.462 4 10 [***+****-*] 1
475 1 112 ARG CB 2 58 MET H . . 22.000 51.616 50.503 52.345 30.345 4 10 [***+****-*] 1
476 1 112 ARG CB 2 59 GLU H . . 22.000 54.268 53.166 54.969 32.969 8 10 [*******+-*] 1
477 1 112 ARG CB 2 60 LEU H . . 22.000 54.965 53.750 56.000 34.000 4 10 [***+****-*] 1
478 1 112 ARG CB 2 61 TYR H . . 22.000 54.565 53.307 55.571 33.571 4 10 [***+****-*] 1
479 1 112 ARG CB 2 62 ARG H . . 22.000 56.221 54.958 57.144 35.144 8 10 [*******+-*] 1
480 1 112 ARG CB 2 63 GLN H . . 22.000 58.288 56.986 59.301 37.301 4 10 [***+****-*] 1
481 1 112 ARG CB 2 90 TYR H . . 22.000 72.414 70.368 74.293 52.293 8 10 [****-**+**] 1
482 1 112 ARG CB 2 91 SER H . . 22.000 70.377 68.082 72.219 50.219 8 10 [****-**+**] 1
483 1 112 ARG CB 2 92 ASP H . . 22.000 71.232 68.560 73.206 51.206 8 10 [*-*****+**] 1
484 1 112 ARG CB 2 93 GLU H . . 22.000 72.395 70.066 74.281 52.281 10 10 [****-****+] 1
485 1 112 ARG CB 2 94 LEU H . . 22.000 70.525 68.396 72.367 50.367 10 10 [****-****+] 1
486 1 112 ARG CB 2 95 ARG H . . 22.000 68.812 66.219 70.907 48.907 8 10 [****-**+**] 1
487 1 112 ARG CB 2 97 ARG H . . 22.000 70.717 67.785 73.378 51.378 8 10 [****-**+**] 1
488 1 112 ARG CB 2 98 LEU H . . 22.000 68.329 65.461 71.129 49.129 8 10 [****-**+**] 1
489 1 112 ARG CB 2 99 ALA H . . 22.000 67.727 64.345 71.585 49.585 8 10 [****-**+**] 1
490 1 112 ARG CB 2 100 ALA H . . 22.000 69.558 66.275 73.600 51.600 8 10 [****-**+**] 1
491 1 112 ARG CB 2 102 LEU H . . 22.000 66.694 63.684 70.714 48.714 8 10 [****-**+**] 1
492 1 112 ARG CB 2 103 GLU H . . 22.000 67.333 63.919 72.180 50.180 8 10 [****-**+**] 1
493 1 112 ARG CB 2 104 ALA H . . 22.000 69.203 66.138 73.615 51.615 8 10 [****-**+**] 1
494 1 112 ARG CB 2 106 LYS H . . 22.000 66.644 63.793 71.514 49.514 8 10 [****-**+**] 1
495 1 112 ARG CB 2 107 GLU H . . 22.000 68.478 65.526 73.741 51.741 8 10 [****-**+**] 1
496 1 112 ARG CB 2 108 ASN H . . 22.000 69.499 67.051 73.858 51.858 8 10 [****-**+**] 1
497 1 112 ARG CB 2 109 GLY H . . 22.000 67.422 65.007 72.161 50.161 8 10 [****-**+**] 1
498 1 112 ARG CB 2 112 ARG H . . 22.000 67.725 65.116 72.836 50.836 8 10 [****-**+**] 1
499 1 112 ARG CB 2 113 LEU H . . 22.000 65.980 63.237 71.715 49.715 8 10 [****-**+**] 1
500 1 112 ARG CB 2 115 GLU H . . 22.000 68.001 65.610 72.910 50.910 8 10 [****-**+**] 1
501 1 112 ARG CB 2 118 ALA H . . 22.000 65.984 63.927 70.693 48.693 8 10 [****-**+**] 1
502 1 112 ARG CB 2 119 LYS H . . 22.000 65.234 63.343 69.130 47.130 8 10 [****-**+**] 1
503 1 112 ARG CB 2 120 ALA H . . 22.000 62.767 60.879 66.778 44.778 8 10 [****-**+**] 1
504 1 112 ARG CB 2 121 THR H . . 22.000 62.682 60.865 67.015 45.015 8 10 [****-**+**] 1
505 1 112 ARG CB 2 123 HIS H . . 22.000 62.803 61.238 65.959 43.959 8 10 [****-**+**] 1
506 1 112 ARG CB 2 124 LEU H . . 22.000 60.524 59.016 63.668 41.668 8 10 [****-**+**] 1
507 1 112 ARG CB 2 125 SER H . . 22.000 61.684 60.241 64.911 42.911 8 10 [****-**+**] 1
508 1 112 ARG CB 2 126 THR H . . 22.000 62.701 61.406 65.287 43.287 8 10 [****-**+**] 1
509 1 112 ARG CB 2 127 LEU H . . 22.000 60.570 59.331 62.843 40.843 8 10 [****-**+**] 1
510 1 112 ARG CB 2 129 GLU H . . 22.000 60.451 59.346 62.852 40.852 8 10 [****-**+**] 1
511 1 112 ARG CB 2 130 LYS H . . 22.000 60.170 59.201 61.986 39.986 8 10 [****-**+**] 1
512 1 112 ARG CB 2 131 ALA H . . 22.000 57.827 56.859 59.733 37.733 8 10 [****-**+**] 1
513 1 112 ARG CB 2 132 LYS H . . 22.000 57.753 56.822 59.786 37.786 8 10 [****-**+**] 1
514 1 112 ARG CB 2 134 ALA H . . 22.000 56.702 55.886 58.248 36.248 8 10 [****-**+**] 1
515 1 112 ARG CB 2 136 GLU H . . 22.000 54.191 53.430 55.864 33.864 8 10 [****-**+**] 1
516 1 112 ARG CB 2 137 ASP H . . 22.000 53.872 53.226 55.283 33.283 8 10 [****-**+**] 1
517 1 112 ARG CB 2 139 ARG H . . 22.000 49.616 48.925 51.161 29.161 8 10 [****-**+**] 1
518 1 112 ARG CB 2 140 GLN H . . 22.000 49.627 49.024 51.026 29.026 8 10 [*-*****+**] 1
519 1 112 ARG CB 2 141 GLY H . . 22.000 48.755 48.233 49.957 27.957 8 10 [****-**+**] 1
520 1 112 ARG CB 2 142 LEU H . . 22.000 46.287 45.733 47.653 25.653 8 10 [****-**+**] 1
521 1 112 ARG CB 2 143 LEU H . . 22.000 45.132 44.534 46.477 24.477 8 10 [*-*****+**] 1
522 1 112 ARG CB 2 146 LEU H . . 22.000 41.196 40.404 42.829 20.829 8 10 [*-*****+**] 1
523 1 112 ARG CB 2 147 GLU H . . 22.000 39.987 39.230 41.496 19.496 8 10 [*-*****+**] 1
524 1 112 ARG CB 2 150 LYS H . . 22.000 35.452 34.727 36.971 14.971 8 10 [*-*****+**] 1
525 1 112 ARG CB 2 151 VAL H . . 22.000 35.136 34.422 36.545 14.545 8 10 [*-*****+**] 1
526 1 112 ARG CB 2 154 LEU H . . 22.000 30.542 29.779 32.037 10.037 8 10 [*-*****+**] 1
527 1 112 ARG CB 2 156 ALA H . . 22.000 28.280 27.721 29.690 7.690 8 10 [*-*****+**] 1
528 1 112 ARG CB 2 157 LEU H . . 22.000 25.979 25.396 27.292 5.292 8 10 [*-*****+**] 1
529 1 112 ARG CB 2 159 GLU H . . 22.000 26.402 25.965 27.103 5.103 8 10 [*******+-*] 1
530 1 112 ARG CB 2 161 THR H . . 22.000 22.818 22.605 23.068 1.068 6 10 [*****+**-*] 1
531 1 112 ARG CB 2 162 LYS H . . 22.000 24.223 23.991 24.602 2.602 10 10 [-********+] 1
532 1 112 ARG CB 2 163 LYS H . . 22.000 23.970 23.671 24.264 2.264 10 10 [***-*****+] 1
533 1 112 ARG CB 2 165 ASN H . . 22.000 21.562 21.027 22.720 0.720 7 1 "[ . + 1]" 1
534 1 112 ARG CB 2 167 GLN H . . 22.000 23.916 22.683 26.970 4.970 9 10 [*****-**+*] 1
535 1 138 LEU CB 2 4 SER H . . 22.000 34.918 21.381 48.668 26.668 8 7 "[** .**+-*]" 1
536 1 138 LEU CB 2 5 LYS H . . 22.000 33.552 20.552 48.356 26.356 8 7 "[** .**+-*]" 1
537 1 138 LEU CB 2 6 LEU H . . 22.000 33.024 22.735 45.981 23.981 8 10 [****-**+**] 1
538 1 138 LEU CB 2 7 ARG H . . 15.200 32.877 22.078 44.415 29.215 8 10 [*******+-*] 1
539 1 138 LEU CB 2 8 GLU H . . 14.300 32.121 20.887 44.909 30.609 8 10 [****-**+**] 1
540 1 138 LEU CB 2 9 GLN H . . 14.300 31.060 21.531 44.545 30.245 8 10 [****-**+**] 1
541 1 138 LEU CB 2 10 LEU H . . 15.000 30.948 23.500 41.966 26.966 8 10 [*******+-*] 1
542 1 138 LEU CB 2 11 GLY H . . 13.300 30.653 23.977 41.193 27.893 8 10 [****-**+**] 1
543 1 138 LEU CB 2 13 VAL H . . 13.900 31.287 27.663 35.577 21.677 8 10 [**-****+**] 1
544 1 138 LEU CB 2 26 GLU H . . 12.200 43.402 41.726 45.494 33.294 8 10 [*-*****+**] 1
545 1 138 LEU CB 2 27 GLY H . . 13.400 45.353 44.049 46.142 32.742 10 10 [*-*******+] 1
546 1 138 LEU CB 2 29 ARG H . . 13.500 46.696 44.756 48.875 35.375 8 10 [*-*****+**] 1
547 1 138 LEU CB 2 31 GLU H . . 15.000 49.277 48.096 49.876 34.876 3 10 [*-+*******] 1
548 1 138 LEU CB 2 32 MET H . . 14.700 49.135 47.664 50.672 35.972 8 10 [*-*****+**] 1
549 1 138 LEU CB 2 33 SER H . . 17.400 51.457 49.618 53.276 35.876 8 10 [*-*****+**] 1
550 1 138 LEU CB 2 34 LYS H . . 22.000 53.366 52.045 54.053 32.053 10 10 [*-*******+] 1
551 1 138 LEU CB 2 35 ASP H . . 22.000 52.960 51.980 53.589 31.589 3 10 [*-+*******] 1
552 1 138 LEU CB 2 41 ALA H . . 22.000 61.213 60.019 62.033 40.033 3 10 [*-+*******] 1
553 1 138 LEU CB 2 42 LYS H . . 22.000 61.125 60.241 61.871 39.871 9 10 [*******-+*] 1
554 1 138 LEU CB 2 47 LEU H . . 22.000 64.635 63.574 65.528 43.528 9 10 [*******-+*] 1
555 1 138 LEU CB 2 48 ASP H . . 22.000 67.024 65.830 67.879 45.879 9 10 [*******-+*] 1
556 1 138 LEU CB 2 49 ASP H . . 22.000 66.670 64.875 67.295 45.295 9 10 [*******-+*] 1
557 1 138 LEU CB 2 52 LYS H . . 22.000 68.949 67.115 69.668 47.668 5 10 [****+**-**] 1
558 1 138 LEU CB 2 55 GLN H . . 22.000 70.141 67.962 71.390 49.390 5 10 [****+**-**] 1
559 1 138 LEU CB 2 57 GLU H . . 22.000 70.299 68.013 72.446 50.446 5 10 [****+**-**] 1
560 1 138 LEU CB 2 58 MET H . . 22.000 70.969 68.831 72.954 50.954 5 10 [****+**-**] 1
561 1 138 LEU CB 2 59 GLU H . . 22.000 73.567 71.425 75.600 53.600 5 10 [****+**-**] 1
562 1 138 LEU CB 2 60 LEU H . . 22.000 73.419 71.163 75.894 53.894 5 10 [****+**-**] 1
563 1 138 LEU CB 2 61 TYR H . . 22.000 72.139 69.965 74.597 52.597 5 10 [****+**-**] 1
564 1 138 LEU CB 2 62 ARG H . . 22.000 73.309 71.266 75.542 53.542 5 10 [****+**-**] 1
565 1 138 LEU CB 2 63 GLN H . . 22.000 75.262 73.128 77.780 55.780 5 10 [****+**-**] 1
566 1 138 LEU CB 2 90 TYR H . . 22.000 71.014 69.979 72.251 50.251 10 10 [*******-*+] 1
567 1 138 LEU CB 2 91 SER H . . 22.000 68.615 67.520 69.895 47.895 10 10 [*******-*+] 1
568 1 138 LEU CB 2 92 ASP H . . 22.000 68.348 67.385 69.750 47.750 10 10 [*******-*+] 1
569 1 138 LEU CB 2 93 GLU H . . 22.000 68.737 67.596 70.246 48.246 10 10 [*******-*+] 1
570 1 138 LEU CB 2 94 LEU H . . 22.000 66.807 65.378 68.353 46.353 10 10 [*******-*+] 1
571 1 138 LEU CB 2 95 ARG H . . 22.000 64.593 63.472 66.067 44.067 10 10 [*******-*+] 1
572 1 138 LEU CB 2 97 ARG H . . 22.000 64.675 63.801 65.977 43.977 10 10 [****-****+] 1
573 1 138 LEU CB 2 98 LEU H . . 22.000 62.154 61.309 63.389 41.389 10 10 [*****-***+] 1
574 1 138 LEU CB 2 99 ALA H . . 22.000 60.905 59.855 62.207 40.207 10 10 [****-****+] 1
575 1 138 LEU CB 2 100 ALA H . . 22.000 61.554 60.470 62.517 40.517 10 10 [****-****+] 1
576 1 138 LEU CB 2 102 LEU H . . 22.000 57.843 56.885 58.923 36.923 9 10 [****-***+*] 1
577 1 138 LEU CB 2 103 GLU H . . 22.000 57.499 56.211 58.860 36.860 8 10 [****-**+**] 1
578 1 138 LEU CB 2 104 ALA H . . 22.000 58.506 57.428 59.716 37.716 8 10 [****-**+**] 1
579 1 138 LEU CB 2 106 LYS H . . 22.000 54.791 53.810 56.264 34.264 8 10 [****-**+**] 1
580 1 138 LEU CB 2 107 GLU H . . 22.000 55.596 54.475 57.615 35.615 8 10 [****-**+**] 1
581 1 138 LEU CB 2 109 GLY H . . 22.000 53.249 52.572 54.699 32.699 8 10 [****-**+**] 1
582 1 138 LEU CB 2 112 ARG H . . 22.000 51.285 50.310 53.413 31.413 8 10 [****-**+**] 1
583 1 138 LEU CB 2 113 LEU H . . 22.000 48.986 47.875 51.601 29.601 8 10 [****-**+**] 1
584 1 138 LEU CB 2 115 GLU H . . 22.000 49.317 48.418 51.531 29.531 8 10 [*******+*-] 1
585 1 138 LEU CB 2 118 ALA H . . 22.000 45.502 44.157 47.697 25.697 8 10 [*******+*-] 1
586 1 138 LEU CB 2 119 LYS H . . 22.000 45.045 44.091 46.557 24.557 8 10 [*******+*-] 1
587 1 138 LEU CB 2 120 ALA H . . 22.000 42.763 42.018 44.122 22.122 8 10 [*******+*-] 1
588 1 138 LEU CB 2 121 THR H . . 22.000 41.424 40.278 43.175 21.175 8 10 [*******+*-] 1
589 1 138 LEU CB 2 123 HIS H . . 22.000 41.151 40.361 42.233 20.233 8 10 [*******+*-] 1
590 1 138 LEU CB 2 125 SER H . . 22.000 38.324 37.190 39.715 17.715 8 10 [*******+*-] 1
591 1 138 LEU CB 2 126 THR H . . 22.000 39.068 38.110 40.039 18.039 8 10 [*******+*-] 1
592 1 138 LEU CB 2 127 LEU H . . 22.000 37.430 36.797 38.010 16.010 8 10 [*******+*-] 1
593 1 138 LEU CB 2 129 GLU H . . 22.000 35.346 34.458 36.266 14.266 8 10 [*******+*-] 1
594 1 138 LEU CB 2 130 LYS H . . 22.000 35.250 34.647 35.635 13.635 8 10 [*******+*-] 1
595 1 138 LEU CB 2 131 ALA H . . 22.000 32.958 32.462 33.279 11.279 8 10 [*******+*-] 1
596 1 138 LEU CB 2 132 LYS H . . 22.000 31.630 30.952 32.199 10.199 8 10 [*******+*-] 1
597 1 138 LEU CB 2 134 ALA H . . 22.000 30.680 30.275 30.869 8.869 1 10 [+********-] 1
598 1 138 LEU CB 2 136 GLU H . . 22.000 26.944 26.484 27.245 5.245 8 10 [*******+*-] 1
599 1 138 LEU CB 2 137 ASP H . . 22.000 26.986 26.686 27.219 5.219 7 10 [******+**-] 1
600 1 138 LEU CB 2 139 ARG H . . 22.000 23.247 22.773 23.512 1.512 9 10 [*****-**+*] 1
601 1 138 LEU CB 2 140 GLN H . . 22.000 22.499 22.122 22.720 0.720 7 6 "[*** - + *1]" 1
602 1 138 LEU CB 2 141 GLY H . . 22.000 22.948 22.341 23.241 1.241 9 9 "[***** *-+*]" 1
603 1 138 LEU CB 2 142 LEU H . . 22.000 21.186 20.790 21.466 . 0 0 "[ . 1]" 1
604 1 138 LEU CB 2 143 LEU H . . 22.000 18.963 18.639 19.177 . 0 0 "[ . 1]" 1
605 1 138 LEU CB 2 145 VAL H . . 22.000 19.918 19.792 20.049 . 0 0 "[ . 1]" 1
606 1 138 LEU CB 2 146 LEU H . . 22.000 18.152 17.896 18.367 . 0 0 "[ . 1]" 1
607 1 138 LEU CB 2 147 GLU H . . 22.000 16.440 16.319 16.615 . 0 0 "[ . 1]" 1
608 1 138 LEU CB 2 150 LYS H . . 22.000 15.805 15.490 16.118 . 0 0 "[ . 1]" 1
609 1 138 LEU CB 2 151 VAL H . . 22.000 15.347 15.086 15.541 . 0 0 "[ . 1]" 1
610 1 138 LEU CB 2 154 LEU H . . 22.000 14.892 14.523 15.204 . 0 0 "[ . 1]" 1
611 1 138 LEU CB 2 156 ALA H . . 22.000 17.774 17.162 18.269 . 0 0 "[ . 1]" 1
612 1 138 LEU CB 2 157 LEU H . . 22.000 16.705 16.038 17.283 . 0 0 "[ . 1]" 1
613 1 138 LEU CB 2 159 GLU H . . 22.000 18.457 17.611 19.060 . 0 0 "[ . 1]" 1
614 1 138 LEU CB 2 161 THR H . . 22.000 19.003 18.134 19.654 . 0 0 "[ . 1]" 1
615 1 138 LEU CB 2 162 LYS H . . 22.000 19.668 18.490 20.582 . 0 0 "[ . 1]" 1
616 1 138 LEU CB 2 163 LYS H . . 22.000 22.526 21.340 23.428 1.428 10 5 "[ ** - *+]" 1
617 1 138 LEU CB 2 165 ASN H . . 22.000 22.750 21.389 23.874 1.874 10 7 "[ *-** * *+]" 1
618 1 138 LEU CB 2 167 GLN H . . 22.000 24.490 21.269 26.873 4.873 4 8 "[***+**-* 1]" 1
619 1 159 GLU CB 2 4 SER H . . 22.000 58.836 39.629 74.327 52.327 6 10 [*****+**-*] 1
620 1 159 GLU CB 2 5 LYS H . . 22.000 58.034 40.043 73.586 51.586 6 10 [****-+****] 1
621 1 159 GLU CB 2 6 LEU H . . 22.000 57.895 42.059 71.792 49.792 6 10 [*****+**-*] 1
622 1 159 GLU CB 2 7 ARG H . . 22.000 57.996 42.317 69.960 47.960 6 10 [*****+**-*] 1
623 1 159 GLU CB 2 8 GLU H . . 22.000 57.602 43.869 69.159 47.159 6 10 [****-+****] 1
624 1 159 GLU CB 2 9 GLN H . . 22.000 56.982 44.528 68.276 46.276 6 10 [****-+****] 1
625 1 159 GLU CB 2 10 LEU H . . 22.000 57.073 46.270 66.240 44.240 6 10 [*****+**-*] 1
626 1 159 GLU CB 2 11 GLY H . . 22.000 57.058 48.044 64.339 42.339 8 10 [*******+-*] 1
627 1 159 GLU CB 2 13 VAL H . . 22.000 57.363 52.564 61.244 39.244 10 10 [********-+] 1
628 1 159 GLU CB 2 14 THR H . . 22.000 56.812 52.344 62.230 40.230 8 10 [*******+-*] 1
629 1 159 GLU CB 2 15 GLN H . . 22.000 58.908 54.846 63.514 41.514 8 10 [*******+-*] 1
630 1 159 GLU CB 2 18 TRP H . . 22.000 58.618 55.522 63.613 41.613 8 10 [****-**+**] 1
631 1 159 GLU CB 2 19 ASP H . . 22.000 60.901 58.061 64.074 42.074 8 10 [****-**+**] 1
632 1 159 GLU CB 2 20 ASN H . . 22.000 61.567 59.443 63.708 41.708 10 10 [********-+] 1
633 1 159 GLU CB 2 22 GLU H . . 22.000 61.294 58.597 65.812 43.812 8 10 [****-**+**] 1
634 1 159 GLU CB 2 23 LYS H . . 22.000 63.525 61.163 65.896 43.896 8 10 [****-**+**] 1
635 1 159 GLU CB 2 24 GLU H . . 22.000 63.614 61.787 65.174 43.174 6 10 [****-+****] 1
636 1 159 GLU CB 2 26 GLU H . . 22.000 65.278 63.038 68.933 46.933 8 10 [****-**+**] 1
637 1 159 GLU CB 2 27 GLY H . . 22.000 66.256 64.503 68.335 46.335 6 10 [*-***+****] 1
638 1 159 GLU CB 2 29 ARG H . . 22.000 67.205 64.683 70.953 48.953 8 10 [*-*****+**] 1
639 1 159 GLU CB 2 31 GLU H . . 22.000 68.253 66.640 69.957 47.957 8 10 [*-*****+**] 1
640 1 159 GLU CB 2 32 MET H . . 22.000 67.764 65.674 71.127 49.127 8 10 [*-*****+**] 1
641 1 159 GLU CB 2 33 SER H . . 22.000 70.269 67.969 73.615 51.615 8 10 [*-*****+**] 1
642 1 159 GLU CB 2 34 LYS H . . 22.000 71.425 69.812 73.105 51.105 8 10 [*-*****+**] 1
643 1 159 GLU CB 2 35 ASP H . . 22.000 70.016 68.587 71.730 49.730 8 10 [*-*****+**] 1
644 1 159 GLU CB 2 40 LYS H . . 22.000 74.354 72.589 75.819 53.819 8 10 [***-***+**] 1
645 1 159 GLU CB 2 41 ALA H . . 22.000 76.492 75.127 77.581 55.581 6 10 [***-*+****] 1
646 1 159 GLU CB 2 42 LYS H . . 22.000 75.349 74.422 76.220 54.220 6 10 [***-*+****] 1
647 1 159 GLU CB 2 46 TYR H . . 22.000 76.221 75.508 76.938 54.938 3 10 [**+-******] 1
648 1 159 GLU CB 2 47 LEU H . . 22.000 76.437 74.879 77.477 55.477 6 10 [***-*+****] 1
649 1 159 GLU CB 2 48 ASP H . . 22.000 78.250 76.987 79.244 57.244 3 10 [**+-******] 1
650 1 159 GLU CB 2 49 ASP H . . 22.000 77.012 76.387 77.734 55.734 3 10 [**+****-**] 1
651 1 159 GLU CB 2 50 PHE H . . 22.000 75.027 74.396 75.704 53.704 3 10 [**+****-**] 1
652 1 159 GLU CB 2 52 LYS H . . 22.000 77.873 77.063 78.545 56.545 3 10 [**+****-**] 1
653 1 159 GLU CB 2 55 GLN H . . 22.000 77.222 76.005 78.052 56.052 2 10 [*+*****-**] 1
654 1 159 GLU CB 2 57 GLU H . . 22.000 75.943 74.654 77.640 55.640 5 10 [****+**-**] 1
655 1 159 GLU CB 2 58 MET H . . 22.000 76.210 74.957 77.777 55.777 2 10 [*+*****-**] 1
656 1 159 GLU CB 2 59 GLU H . . 22.000 78.285 77.015 79.992 57.992 2 10 [*+*****-**] 1
657 1 159 GLU CB 2 60 LEU H . . 22.000 77.367 76.032 79.485 57.485 5 10 [****+*-***] 1
658 1 159 GLU CB 2 61 TYR H . . 22.000 75.505 74.200 77.592 55.592 5 10 [****+**-**] 1
659 1 159 GLU CB 2 62 ARG H . . 22.000 76.025 74.741 77.990 55.990 2 10 [*+*****-**] 1
660 1 159 GLU CB 2 63 GLN H . . 22.000 77.497 76.098 79.750 57.750 5 10 [****+*-***] 1
661 1 159 GLU CB 2 90 TYR H . . 22.000 56.836 55.708 57.410 35.410 3 10 [**+***-***] 1
662 1 159 GLU CB 2 91 SER H . . 22.000 54.617 53.575 55.240 33.240 3 10 [**+***-***] 1
663 1 159 GLU CB 2 92 ASP H . . 22.000 53.363 52.352 54.158 32.158 3 10 [**+***-***] 1
664 1 159 GLU CB 2 93 GLU H . . 22.000 52.891 51.712 53.606 31.606 1 10 [+*****-***] 1
665 1 159 GLU CB 2 94 LEU H . . 22.000 51.318 49.941 52.110 30.110 10 10 [******-**+] 1
666 1 159 GLU CB 2 95 ARG H . . 22.000 49.144 47.741 49.873 27.873 10 10 [******-**+] 1
667 1 159 GLU CB 2 97 ARG H . . 22.000 47.424 46.450 48.082 26.082 10 10 [******-**+] 1
668 1 159 GLU CB 2 98 LEU H . . 22.000 45.390 44.313 46.093 24.093 10 10 [******-**+] 1
669 1 159 GLU CB 2 99 ALA H . . 22.000 43.825 42.681 44.537 22.537 3 10 [**+***-***] 1
670 1 159 GLU CB 2 100 ALA H . . 22.000 43.127 42.048 43.839 21.839 3 10 [**+***-***] 1
671 1 159 GLU CB 2 102 LEU H . . 22.000 39.555 38.436 40.398 18.398 3 10 [**+***-***] 1
672 1 159 GLU CB 2 103 GLU H . . 22.000 38.305 37.312 39.021 17.021 3 10 [**+***-***] 1
673 1 159 GLU CB 2 104 ALA H . . 22.000 38.157 36.926 38.815 16.815 8 10 [******-+**] 1
674 1 159 GLU CB 2 106 LYS H . . 22.000 34.283 32.953 34.914 12.914 3 10 [**+***-***] 1
675 1 159 GLU CB 2 107 GLU H . . 22.000 33.784 32.772 34.850 12.850 8 10 [******-+**] 1
676 1 159 GLU CB 2 108 ASN H . . 22.000 33.029 32.296 33.799 11.799 8 10 [******-+**] 1
677 1 159 GLU CB 2 112 ARG H . . 22.000 27.077 26.234 28.424 6.424 8 10 [******-+**] 1
678 1 159 GLU CB 2 113 LEU H . . 22.000 24.813 23.930 26.099 4.099 8 10 [******-+**] 1
679 1 159 GLU CB 2 115 GLU H . . 22.000 23.431 22.443 25.224 3.224 8 9 "[*******+ -]" 1
680 1 159 GLU CB 2 119 LYS H . . 22.000 19.625 18.369 21.115 . 0 0 "[ . 1]" 1
681 1 159 GLU CB 2 121 THR H . . 22.000 16.131 15.190 17.066 . 0 0 "[ . 1]" 1
682 1 159 GLU CB 2 125 SER H . . 22.000 13.810 12.351 15.354 . 0 0 "[ . 1]" 1
683 1 159 GLU CB 2 126 THR H . . 22.000 15.435 13.766 17.174 . 0 0 "[ . 1]" 1
684 1 159 GLU CB 2 127 LEU H . . 22.000 16.196 15.038 17.250 . 0 0 "[ . 1]" 1
685 1 159 GLU CB 2 129 GLU H . . 22.000 13.831 12.769 15.015 . 0 0 "[ . 1]" 1
686 1 159 GLU CB 2 130 LYS H . . 22.000 16.127 15.189 17.047 . 0 0 "[ . 1]" 1
687 1 159 GLU CB 2 131 ALA H . . 22.000 15.705 15.261 16.406 . 0 0 "[ . 1]" 1
688 1 159 GLU CB 2 132 LYS H . . 22.000 14.593 14.084 15.321 . 0 0 "[ . 1]" 1
689 1 159 GLU CB 2 134 ALA H . . 22.000 17.794 17.345 18.459 . 0 0 "[ . 1]" 1
690 1 159 GLU CB 2 136 GLU H . . 22.000 17.394 16.901 17.937 . 0 0 "[ . 1]" 1
691 1 159 GLU CB 2 137 ASP H . . 22.000 20.230 19.731 20.767 . 0 0 "[ . 1]" 1
692 1 159 GLU CB 2 139 ARG H . . 22.000 20.113 19.540 20.672 . 0 0 "[ . 1]" 1
693 1 159 GLU CB 2 140 GLN H . . 22.000 21.684 21.154 22.325 0.325 10 0 "[ . 1]" 1
694 1 159 GLU CB 2 141 GLY H . . 22.000 24.241 23.324 24.946 2.946 10 10 [*******-*+] 1
695 1 159 GLU CB 2 142 LEU H . . 22.000 24.476 23.941 25.098 3.098 10 10 [*******-*+] 1
696 1 159 GLU CB 2 143 LEU H . . 22.000 25.043 24.367 25.724 3.724 10 10 [*******-*+] 1
697 1 159 GLU CB 2 146 LEU H . . 22.000 28.470 27.919 29.215 7.215 6 10 [-****+****] 1
698 1 159 GLU CB 2 147 GLU H . . 22.000 29.958 29.350 30.672 8.672 10 10 [*******-*+] 1
699 1 159 GLU CB 2 150 LYS H . . 22.000 33.111 32.595 34.053 12.053 6 10 [-****+****] 1
700 1 159 GLU CB 2 151 VAL H . . 22.000 34.889 34.277 35.925 13.925 6 10 [*-***+****] 1
701 1 159 GLU CB 2 154 LEU H . . 22.000 37.985 37.395 38.857 16.857 6 10 [-****+****] 1
702 1 159 GLU CB 2 156 ALA H . . 22.000 41.944 41.400 42.796 20.796 6 10 [-****+****] 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 354
_Distance_constraint_stats_list.Viol_count 336
_Distance_constraint_stats_list.Viol_total 4806.437
_Distance_constraint_stats_list.Viol_max 48.394
_Distance_constraint_stats_list.Viol_rms 2.2102
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1358
_Distance_constraint_stats_list.Viol_average_violations_only 1.4305
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 PHE 0.000 0.000 . 0 "[ . 1]"
1 5 LYS 0.000 0.000 . 0 "[ . 1]"
1 6 LEU 0.000 0.000 . 0 "[ . 1]"
1 7 ARG 0.000 0.000 . 0 "[ . 1]"
1 8 GLU 0.000 0.000 . 0 "[ . 1]"
1 9 GLN 0.234 0.073 5 0 "[ . 1]"
1 10 LEU 0.077 0.070 9 0 "[ . 1]"
1 11 GLY 0.234 0.073 5 0 "[ . 1]"
1 13 VAL 0.520 0.184 7 0 "[ . 1]"
1 14 THR 1.069 0.241 9 0 "[ . 1]"
1 15 GLN 0.443 0.184 7 0 "[ . 1]"
1 16 GLU 1.049 0.241 9 0 "[ . 1]"
1 17 PHE 0.218 0.126 1 0 "[ . 1]"
1 18 TRP 0.899 0.350 10 0 "[ . 1]"
1 19 ASP 3.825 0.400 10 0 "[ . 1]"
1 20 ASN 0.840 0.121 2 0 "[ . 1]"
1 21 LEU 0.000 0.000 . 0 "[ . 1]"
1 22 GLU 3.809 0.400 10 0 "[ . 1]"
1 23 LYS 0.000 0.000 . 0 "[ . 1]"
1 24 GLU 0.000 0.000 . 0 "[ . 1]"
1 27 GLY 0.000 0.000 . 0 "[ . 1]"
1 28 LEU 0.000 0.000 . 0 "[ . 1]"
1 32 MET 0.257 0.046 10 0 "[ . 1]"
1 33 SER 0.000 0.000 . 0 "[ . 1]"
1 34 LYS 0.257 0.046 10 0 "[ . 1]"
1 35 ASP 0.000 0.000 . 0 "[ . 1]"
1 36 LEU 0.000 0.000 . 0 "[ . 1]"
1 37 GLU 0.000 0.000 . 0 "[ . 1]"
1 39 VAL 0.390 0.081 8 0 "[ . 1]"
1 40 LYS 0.000 0.000 . 0 "[ . 1]"
1 41 ALA 0.390 0.081 8 0 "[ . 1]"
1 42 LYS 0.000 0.000 . 0 "[ . 1]"
1 43 VAL 0.000 0.000 . 0 "[ . 1]"
1 46 TYR 0.969 0.181 9 0 "[ . 1]"
1 47 LEU 0.292 0.124 4 0 "[ . 1]"
1 48 ASP 0.969 0.181 9 0 "[ . 1]"
1 49 ASP 0.292 0.124 4 0 "[ . 1]"
1 50 PHE 0.000 0.000 . 0 "[ . 1]"
1 51 GLN 0.000 0.000 . 0 "[ . 1]"
1 52 LYS 0.736 0.125 8 0 "[ . 1]"
1 53 LYS 0.000 0.000 . 0 "[ . 1]"
1 54 TRP 0.760 0.125 8 0 "[ . 1]"
1 55 GLN 0.024 0.015 7 0 "[ . 1]"
1 57 GLU 0.000 0.000 . 0 "[ . 1]"
1 58 MET 0.000 0.000 . 0 "[ . 1]"
1 59 GLU 0.000 0.000 . 0 "[ . 1]"
1 60 LEU 0.000 0.000 . 0 "[ . 1]"
1 61 TYR 0.000 0.000 . 0 "[ . 1]"
1 62 ARG 0.000 0.000 . 0 "[ . 1]"
1 63 GLN 0.439 0.108 7 0 "[ . 1]"
1 65 VAL 0.439 0.108 7 0 "[ . 1]"
1 66 GLU 0.000 0.000 . 0 "[ . 1]"
1 90 TYR 6.949 0.645 10 7 "[** *** -+]"
1 91 SER 0.000 0.000 . 0 "[ . 1]"
1 92 ASP 1.483 0.244 3 0 "[ . 1]"
1 93 GLU 5.465 0.645 10 7 "[** *** -+]"
1 94 LEU 0.000 0.000 . 0 "[ . 1]"
1 95 ARG 0.000 0.000 . 0 "[ . 1]"
1 96 GLN 0.000 0.000 . 0 "[ . 1]"
1 97 ARG 0.000 0.000 . 0 "[ . 1]"
1 98 LEU 0.000 0.000 . 0 "[ . 1]"
1 99 ALA 0.000 0.000 . 0 "[ . 1]"
1 100 ALA 0.000 0.000 . 0 "[ . 1]"
1 101 ARG 0.000 0.000 . 0 "[ . 1]"
1 102 LEU 0.000 0.000 . 0 "[ . 1]"
1 103 GLU 0.000 0.000 . 0 "[ . 1]"
1 104 ALA 0.000 0.000 . 0 "[ . 1]"
1 105 LEU 0.000 0.000 . 0 "[ . 1]"
1 106 LYS 0.000 0.000 . 0 "[ . 1]"
1 107 GLU 0.000 0.000 . 0 "[ . 1]"
1 108 ASN 0.000 0.000 . 0 "[ . 1]"
1 109 GLY 0.000 0.000 . 0 "[ . 1]"
1 110 GLY 0.000 0.000 . 0 "[ . 1]"
1 112 ARG 0.000 0.000 . 0 "[ . 1]"
1 113 LEU 0.000 0.000 . 0 "[ . 1]"
1 114 ALA 0.000 0.000 . 0 "[ . 1]"
1 116 TYR 0.158 0.039 1 0 "[ . 1]"
1 117 HIS 0.000 0.000 . 0 "[ . 1]"
1 118 ALA 0.158 0.039 1 0 "[ . 1]"
1 119 LYS 0.000 0.000 . 0 "[ . 1]"
1 120 ALA 0.000 0.000 . 0 "[ . 1]"
1 121 THR 0.000 0.000 . 0 "[ . 1]"
1 122 GLU 0.060 0.060 8 0 "[ . 1]"
1 123 HIS 0.000 0.000 . 0 "[ . 1]"
1 124 LEU 0.928 0.142 8 0 "[ . 1]"
1 125 SER 0.000 0.000 . 0 "[ . 1]"
1 126 THR 0.868 0.142 8 0 "[ . 1]"
1 127 LEU 0.000 0.000 . 0 "[ . 1]"
1 128 SER 0.000 0.000 . 0 "[ . 1]"
1 130 LYS 0.000 0.000 . 0 "[ . 1]"
1 131 ALA 0.000 0.000 . 0 "[ . 1]"
1 132 LYS 0.000 0.000 . 0 "[ . 1]"
1 134 ALA 0.000 0.000 . 0 "[ . 1]"
1 135 LEU 0.000 0.000 . 0 "[ . 1]"
1 136 GLU 0.000 0.000 . 0 "[ . 1]"
1 137 ASP 0.132 0.038 4 0 "[ . 1]"
1 138 LEU 0.000 0.000 . 0 "[ . 1]"
1 139 ARG 4.570 0.496 6 0 "[ . 1]"
1 140 GLN 0.054 0.053 8 0 "[ . 1]"
1 141 GLY 0.103 0.043 10 0 "[ . 1]"
1 142 LEU 4.389 0.496 6 0 "[ . 1]"
1 143 LEU 0.000 0.000 . 0 "[ . 1]"
1 145 VAL 0.000 0.000 . 0 "[ . 1]"
1 146 LEU 0.000 0.000 . 0 "[ . 1]"
1 147 GLU 0.000 0.000 . 0 "[ . 1]"
1 149 PHE 0.000 0.000 . 0 "[ . 1]"
1 150 LYS 0.000 0.000 . 0 "[ . 1]"
1 151 VAL 0.000 0.000 . 0 "[ . 1]"
1 152 SER 0.000 0.000 . 0 "[ . 1]"
1 153 PHE 0.000 0.000 . 0 "[ . 1]"
1 154 LEU 0.000 0.000 . 0 "[ . 1]"
1 156 ALA 0.000 0.000 . 0 "[ . 1]"
1 157 LEU 0.000 0.000 . 0 "[ . 1]"
1 162 LYS 0.000 0.000 . 0 "[ . 1]"
1 163 LYS 0.000 0.000 . 0 "[ . 1]"
1 164 LEU 0.000 0.000 . 0 "[ . 1]"
1 165 ASN 424.647 48.394 10 10 [*********+]
1 167 GLN 11.102 2.361 4 9 [***+.****-]
2 3 PHE 0.000 0.000 . 0 "[ . 1]"
2 5 LYS 0.000 0.000 . 0 "[ . 1]"
2 6 LEU 0.000 0.000 . 0 "[ . 1]"
2 7 ARG 0.000 0.000 . 0 "[ . 1]"
2 8 GLU 0.000 0.000 . 0 "[ . 1]"
2 9 GLN 0.233 0.074 5 0 "[ . 1]"
2 10 LEU 0.077 0.070 9 0 "[ . 1]"
2 11 GLY 0.233 0.074 5 0 "[ . 1]"
2 13 VAL 0.471 0.191 7 0 "[ . 1]"
2 14 THR 1.132 0.243 9 0 "[ . 1]"
2 15 GLN 0.394 0.191 7 0 "[ . 1]"
2 16 GLU 1.055 0.243 9 0 "[ . 1]"
2 17 PHE 0.301 0.127 1 0 "[ . 1]"
2 18 TRP 0.689 0.311 2 0 "[ . 1]"
2 19 ASP 3.430 0.363 2 0 "[ . 1]"
2 20 ASN 0.858 0.118 2 0 "[ . 1]"
2 21 LEU 0.000 0.000 . 0 "[ . 1]"
2 22 GLU 3.794 0.363 2 0 "[ . 1]"
2 23 LYS 0.000 0.000 . 0 "[ . 1]"
2 24 GLU 0.000 0.000 . 0 "[ . 1]"
2 27 GLY 0.000 0.000 . 0 "[ . 1]"
2 28 LEU 0.000 0.000 . 0 "[ . 1]"
2 32 MET 0.262 0.046 10 0 "[ . 1]"
2 33 SER 0.000 0.000 . 0 "[ . 1]"
2 34 LYS 0.262 0.046 10 0 "[ . 1]"
2 35 ASP 0.000 0.000 . 0 "[ . 1]"
2 36 LEU 0.000 0.000 . 0 "[ . 1]"
2 37 GLU 0.000 0.000 . 0 "[ . 1]"
2 39 VAL 0.452 0.083 4 0 "[ . 1]"
2 40 LYS 0.000 0.000 . 0 "[ . 1]"
2 41 ALA 0.452 0.083 4 0 "[ . 1]"
2 42 LYS 0.000 0.000 . 0 "[ . 1]"
2 43 VAL 0.000 0.000 . 0 "[ . 1]"
2 46 TYR 0.772 0.146 9 0 "[ . 1]"
2 47 LEU 0.399 0.155 4 0 "[ . 1]"
2 48 ASP 0.772 0.146 9 0 "[ . 1]"
2 49 ASP 0.399 0.155 4 0 "[ . 1]"
2 50 PHE 0.000 0.000 . 0 "[ . 1]"
2 51 GLN 0.000 0.000 . 0 "[ . 1]"
2 52 LYS 1.116 0.152 7 0 "[ . 1]"
2 53 LYS 0.000 0.000 . 0 "[ . 1]"
2 54 TRP 1.182 0.152 7 0 "[ . 1]"
2 55 GLN 0.066 0.066 9 0 "[ . 1]"
2 57 GLU 0.000 0.000 . 0 "[ . 1]"
2 58 MET 0.000 0.000 . 0 "[ . 1]"
2 59 GLU 0.000 0.000 . 0 "[ . 1]"
2 60 LEU 0.000 0.000 . 0 "[ . 1]"
2 61 TYR 0.000 0.000 . 0 "[ . 1]"
2 62 ARG 0.000 0.000 . 0 "[ . 1]"
2 63 GLN 0.432 0.127 7 0 "[ . 1]"
2 65 VAL 0.432 0.127 7 0 "[ . 1]"
2 66 GLU 0.000 0.000 . 0 "[ . 1]"
2 90 TYR 6.831 0.651 10 7 "[** *** -+]"
2 91 SER 0.000 0.000 . 0 "[ . 1]"
2 92 ASP 1.362 0.219 3 0 "[ . 1]"
2 93 GLU 5.469 0.651 10 7 "[** *** -+]"
2 94 LEU 0.000 0.000 . 0 "[ . 1]"
2 95 ARG 0.000 0.000 . 0 "[ . 1]"
2 96 GLN 0.000 0.000 . 0 "[ . 1]"
2 97 ARG 0.000 0.000 . 0 "[ . 1]"
2 98 LEU 0.000 0.000 . 0 "[ . 1]"
2 99 ALA 0.000 0.000 . 0 "[ . 1]"
2 100 ALA 0.000 0.000 . 0 "[ . 1]"
2 101 ARG 0.000 0.000 . 0 "[ . 1]"
2 102 LEU 0.000 0.000 . 0 "[ . 1]"
2 103 GLU 0.000 0.000 . 0 "[ . 1]"
2 104 ALA 0.000 0.000 . 0 "[ . 1]"
2 105 LEU 0.000 0.000 . 0 "[ . 1]"
2 106 LYS 0.000 0.000 . 0 "[ . 1]"
2 107 GLU 0.000 0.000 . 0 "[ . 1]"
2 108 ASN 0.000 0.000 . 0 "[ . 1]"
2 109 GLY 0.000 0.000 . 0 "[ . 1]"
2 110 GLY 0.000 0.000 . 0 "[ . 1]"
2 112 ARG 0.000 0.000 . 0 "[ . 1]"
2 113 LEU 0.000 0.000 . 0 "[ . 1]"
2 114 ALA 0.000 0.000 . 0 "[ . 1]"
2 116 TYR 0.136 0.044 5 0 "[ . 1]"
2 117 HIS 0.000 0.000 . 0 "[ . 1]"
2 118 ALA 0.136 0.044 5 0 "[ . 1]"
2 119 LYS 0.000 0.000 . 0 "[ . 1]"
2 120 ALA 0.000 0.000 . 0 "[ . 1]"
2 121 THR 0.000 0.000 . 0 "[ . 1]"
2 122 GLU 0.058 0.058 8 0 "[ . 1]"
2 123 HIS 0.000 0.000 . 0 "[ . 1]"
2 124 LEU 0.907 0.140 8 0 "[ . 1]"
2 125 SER 0.000 0.000 . 0 "[ . 1]"
2 126 THR 0.849 0.140 8 0 "[ . 1]"
2 127 LEU 0.000 0.000 . 0 "[ . 1]"
2 130 LYS 0.000 0.000 . 0 "[ . 1]"
2 131 ALA 0.000 0.000 . 0 "[ . 1]"
2 132 LYS 0.000 0.000 . 0 "[ . 1]"
2 134 ALA 0.000 0.000 . 0 "[ . 1]"
2 135 LEU 0.000 0.000 . 0 "[ . 1]"
2 136 GLU 0.000 0.000 . 0 "[ . 1]"
2 137 ASP 0.138 0.040 4 0 "[ . 1]"
2 138 LEU 0.000 0.000 . 0 "[ . 1]"
2 139 ARG 4.592 0.497 6 0 "[ . 1]"
2 140 GLN 0.056 0.054 8 0 "[ . 1]"
2 141 GLY 0.111 0.044 10 0 "[ . 1]"
2 142 LEU 4.399 0.497 6 0 "[ . 1]"
2 143 LEU 0.000 0.000 . 0 "[ . 1]"
2 145 VAL 0.000 0.000 . 0 "[ . 1]"
2 146 LEU 0.000 0.000 . 0 "[ . 1]"
2 147 GLU 0.000 0.000 . 0 "[ . 1]"
2 149 PHE 0.000 0.000 . 0 "[ . 1]"
2 150 LYS 0.000 0.000 . 0 "[ . 1]"
2 151 VAL 0.000 0.000 . 0 "[ . 1]"
2 152 SER 0.000 0.000 . 0 "[ . 1]"
2 153 PHE 0.000 0.000 . 0 "[ . 1]"
2 154 LEU 0.000 0.000 . 0 "[ . 1]"
2 156 ALA 0.000 0.000 . 0 "[ . 1]"
2 157 LEU 0.000 0.000 . 0 "[ . 1]"
2 162 LYS 0.000 0.000 . 0 "[ . 1]"
2 163 LYS 0.000 0.000 . 0 "[ . 1]"
2 164 LEU 0.000 0.000 . 0 "[ . 1]"
2 165 ASN 424.624 48.394 10 10 [*********+]
2 167 GLN 11.079 2.358 4 9 [***+.****-]
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 10 LEU MD2 1 13 VAL MG2 . . 8.000 5.725 2.803 7.352 . 0 0 "[ . 1]" 2
2 2 10 LEU MD2 2 13 VAL MG2 . . 8.000 5.728 2.811 7.348 . 0 0 "[ . 1]" 2
3 1 36 LEU MD2 1 39 VAL MG2 . . 8.000 4.795 3.580 5.594 . 0 0 "[ . 1]" 2
4 2 36 LEU MD2 2 39 VAL MG2 . . 8.000 4.784 3.571 5.591 . 0 0 "[ . 1]" 2
5 1 43 VAL MG2 1 47 LEU MD2 . . 8.000 4.917 4.194 6.099 . 0 0 "[ . 1]" 2
6 2 43 VAL MG2 2 47 LEU MD2 . . 8.000 4.819 4.057 5.983 . 0 0 "[ . 1]" 2
7 1 165 ASN QD 2 165 ASN QD . . 8.000 49.355 42.849 56.394 48.394 10 10 [**-******+] 2
8 1 91 SER H 1 92 ASP H . . 3.500 2.778 2.706 2.864 . 0 0 "[ . 1]" 2
9 1 91 SER H 1 93 GLU H . . 4.400 4.121 3.919 4.334 . 0 0 "[ . 1]" 2
10 1 90 TYR H 1 91 SER H . . 3.500 2.674 2.631 2.725 . 0 0 "[ . 1]" 2
11 1 90 TYR H 1 92 ASP H . . 4.400 4.547 4.389 4.644 0.244 3 0 "[ . 1]" 2
12 1 90 TYR H 1 93 GLU H . . 4.400 4.947 4.813 5.045 0.645 10 7 "[** *** -+]" 2
13 1 92 ASP H 1 93 GLU H . . 3.500 2.682 2.570 2.762 . 0 0 "[ . 1]" 2
14 1 97 ARG H 1 98 LEU H . . 3.500 2.652 2.544 2.751 . 0 0 "[ . 1]" 2
15 1 96 GLN H 1 98 LEU H . . 4.400 4.202 3.988 4.386 . 0 0 "[ . 1]" 2
16 1 98 LEU H 1 100 ALA H . . 4.400 4.064 3.951 4.250 . 0 0 "[ . 1]" 2
17 1 98 LEU H 1 99 ALA H . . 3.500 2.695 2.592 2.801 . 0 0 "[ . 1]" 2
18 1 99 ALA H 1 101 ARG H . . 4.400 4.124 4.047 4.242 . 0 0 "[ . 1]" 2
19 1 99 ALA H 1 100 ALA H . . 3.500 2.762 2.635 2.827 . 0 0 "[ . 1]" 2
20 1 100 ALA H 1 101 ARG H . . 3.500 2.498 2.427 2.535 . 0 0 "[ . 1]" 2
21 1 112 ARG H 1 113 LEU H . . 3.500 2.519 2.479 2.711 . 0 0 "[ . 1]" 2
22 1 108 ASN H 1 109 GLY H . . 3.500 2.595 2.473 2.727 . 0 0 "[ . 1]" 2
23 1 7 ARG H 1 8 GLU H . . 3.500 2.646 2.519 2.710 . 0 0 "[ . 1]" 2
24 1 9 GLN H 1 10 LEU H . . 3.500 2.461 2.416 2.593 . 0 0 "[ . 1]" 2
25 1 9 GLN H 1 11 GLY H . . 4.400 4.415 4.328 4.473 0.073 5 0 "[ . 1]" 2
26 1 10 LEU H 1 11 GLY H . . 3.500 2.806 2.729 2.875 . 0 0 "[ . 1]" 2
27 1 13 VAL H 1 14 THR H . . 3.500 2.643 2.435 2.784 . 0 0 "[ . 1]" 2
28 1 5 LYS H 1 7 ARG H . . 4.400 4.048 3.903 4.201 . 0 0 "[ . 1]" 2
29 1 7 ARG H 1 9 GLN H . . 4.400 4.032 3.844 4.251 . 0 0 "[ . 1]" 2
30 1 8 GLU H 1 10 LEU H . . 4.400 3.868 3.680 3.955 . 0 0 "[ . 1]" 2
31 1 6 LEU H 1 7 ARG H . . 3.500 2.627 2.517 2.716 . 0 0 "[ . 1]" 2
32 1 13 VAL H 1 15 GLN H . . 4.400 4.374 3.873 4.584 0.184 7 0 "[ . 1]" 2
33 1 14 THR H 1 15 GLN H . . 3.500 2.787 2.672 2.907 . 0 0 "[ . 1]" 2
34 1 15 GLN H 1 16 GLU H . . 3.500 2.771 2.610 2.835 . 0 0 "[ . 1]" 2
35 1 14 THR H 1 16 GLU H . . 4.400 4.391 3.830 4.641 0.241 9 0 "[ . 1]" 2
36 1 21 LEU H 1 22 GLU H . . 3.500 2.811 2.601 2.863 . 0 0 "[ . 1]" 2
37 1 22 GLU H 1 23 LYS H . . 3.500 2.661 2.496 2.745 . 0 0 "[ . 1]" 2
38 1 21 LEU H 1 23 LYS H . . 4.400 3.930 3.838 4.018 . 0 0 "[ . 1]" 2
39 1 19 ASP H 1 20 ASN H . . 3.500 2.738 2.617 2.849 . 0 0 "[ . 1]" 2
40 1 19 ASP H 1 22 GLU H . . 4.400 4.716 4.535 4.800 0.400 10 0 "[ . 1]" 2
41 1 139 ARG H 1 140 GLN H . . 3.500 2.595 2.533 2.643 . 0 0 "[ . 1]" 2
42 1 139 ARG H 1 141 GLY H . . 4.400 4.304 3.856 4.443 0.043 10 0 "[ . 1]" 2
43 1 137 ASP H 1 139 ARG H . . 4.400 4.400 4.340 4.438 0.038 4 0 "[ . 1]" 2
44 1 19 ASP H 1 21 LEU H . . 4.400 4.019 3.860 4.245 . 0 0 "[ . 1]" 2
45 1 20 ASN H 1 22 GLU H . . 4.400 4.450 4.254 4.497 0.097 1 0 "[ . 1]" 2
46 1 23 LYS H 1 24 GLU H . . 3.500 2.793 2.499 2.854 . 0 0 "[ . 1]" 2
47 1 27 GLY H 1 28 LEU H . . 3.500 2.769 2.521 2.817 . 0 0 "[ . 1]" 2
48 1 109 GLY H 1 110 GLY H . . 3.500 2.798 2.731 2.817 . 0 0 "[ . 1]" 2
49 1 32 MET H 1 33 SER H . . 3.500 2.702 2.615 2.756 . 0 0 "[ . 1]" 2
50 1 32 MET H 1 34 LYS H . . 4.400 4.366 3.805 4.446 0.046 10 0 "[ . 1]" 2
51 1 33 SER H 1 34 LYS H . . 3.500 2.786 2.605 2.815 . 0 0 "[ . 1]" 2
52 1 34 LYS H 1 35 ASP H . . 3.500 2.727 2.534 2.767 . 0 0 "[ . 1]" 2
53 1 35 ASP H 1 36 LEU H . . 3.500 2.804 2.741 2.822 . 0 0 "[ . 1]" 2
54 1 34 LYS H 1 36 LEU H . . 4.400 4.315 4.213 4.371 . 0 0 "[ . 1]" 2
55 1 40 LYS H 1 41 ALA H . . 3.500 2.628 2.601 2.641 . 0 0 "[ . 1]" 2
56 1 39 VAL H 1 41 ALA H . . 4.400 4.439 4.415 4.481 0.081 8 0 "[ . 1]" 2
57 1 46 TYR H 1 47 LEU H . . 3.500 2.753 2.642 2.970 . 0 0 "[ . 1]" 2
58 1 46 TYR H 1 48 ASP H . . 4.400 4.360 3.934 4.581 0.181 9 0 "[ . 1]" 2
59 1 48 ASP H 1 49 ASP H . . 3.500 2.634 2.597 2.682 . 0 0 "[ . 1]" 2
60 1 47 LEU H 1 49 ASP H . . 4.400 4.025 3.800 4.524 0.124 4 0 "[ . 1]" 2
61 1 47 LEU H 1 48 ASP H . . 3.500 2.662 2.625 2.736 . 0 0 "[ . 1]" 2
62 1 49 ASP H 1 50 PHE H . . 3.500 2.658 2.525 2.701 . 0 0 "[ . 1]" 2
63 1 49 ASP H 1 51 GLN H . . 4.400 4.336 4.308 4.389 . 0 0 "[ . 1]" 2
64 1 50 PHE H 1 51 GLN H . . 3.500 2.837 2.799 2.864 . 0 0 "[ . 1]" 2
65 1 50 PHE H 1 52 LYS H . . 4.400 4.200 4.075 4.268 . 0 0 "[ . 1]" 2
66 1 51 GLN H 1 52 LYS H . . 3.500 2.705 2.671 2.770 . 0 0 "[ . 1]" 2
67 1 52 LYS H 1 53 LYS H . . 3.500 2.620 2.596 2.649 . 0 0 "[ . 1]" 2
68 1 52 LYS H 1 54 TRP H . . 4.400 4.473 4.390 4.525 0.125 8 0 "[ . 1]" 2
69 1 54 TRP H 1 55 GLN H . . 3.500 2.550 2.453 2.626 . 0 0 "[ . 1]" 2
70 1 55 GLN H 1 57 GLU H . . 4.400 3.795 3.756 3.822 . 0 0 "[ . 1]" 2
71 1 59 GLU H 1 60 LEU H . . 3.500 2.628 2.593 2.687 . 0 0 "[ . 1]" 2
72 1 58 MET H 1 59 GLU H . . 3.500 2.711 2.668 2.742 . 0 0 "[ . 1]" 2
73 1 57 GLU H 1 58 MET H . . 3.500 2.531 2.512 2.554 . 0 0 "[ . 1]" 2
74 1 58 MET H 1 60 LEU H . . 4.400 3.890 3.801 4.040 . 0 0 "[ . 1]" 2
75 1 60 LEU H 1 61 TYR H . . 3.500 2.436 2.431 2.446 . 0 0 "[ . 1]" 2
76 1 93 GLU H 1 94 LEU H . . 3.500 2.759 2.657 2.845 . 0 0 "[ . 1]" 2
77 1 94 LEU H 1 95 ARG H . . 3.500 2.761 2.684 2.804 . 0 0 "[ . 1]" 2
78 1 95 ARG H 1 96 GLN H . . 3.500 2.697 2.626 2.764 . 0 0 "[ . 1]" 2
79 1 96 GLN H 1 97 ARG H . . 3.500 2.695 2.609 2.823 . 0 0 "[ . 1]" 2
80 1 101 ARG H 1 102 LEU H . . 3.500 2.619 2.483 2.750 . 0 0 "[ . 1]" 2
81 1 102 LEU H 1 103 GLU H . . 3.500 2.657 2.604 2.698 . 0 0 "[ . 1]" 2
82 1 103 GLU H 1 104 ALA H . . 3.500 2.673 2.529 2.807 . 0 0 "[ . 1]" 2
83 1 102 LEU H 1 104 ALA H . . 4.400 4.035 3.851 4.224 . 0 0 "[ . 1]" 2
84 1 101 ARG H 1 103 GLU H . . 4.400 4.315 4.151 4.380 . 0 0 "[ . 1]" 2
85 1 105 LEU H 1 106 LYS H . . 3.500 2.690 2.573 2.765 . 0 0 "[ . 1]" 2
86 1 103 GLU H 1 105 LEU H . . 4.400 4.225 4.044 4.319 . 0 0 "[ . 1]" 2
87 1 106 LYS H 1 107 GLU H . . 3.500 2.562 2.458 2.676 . 0 0 "[ . 1]" 2
88 1 107 GLU H 1 108 ASN H . . 3.500 2.898 2.799 2.943 . 0 0 "[ . 1]" 2
89 1 107 GLU H 1 109 GLY H . . 4.400 3.909 3.792 4.254 . 0 0 "[ . 1]" 2
90 1 116 TYR H 1 117 HIS H . . 3.500 2.742 2.700 2.804 . 0 0 "[ . 1]" 2
91 1 118 ALA H 1 119 LYS H . . 3.500 2.654 2.605 2.714 . 0 0 "[ . 1]" 2
92 1 120 ALA H 1 121 THR H . . 3.500 2.614 2.578 2.688 . 0 0 "[ . 1]" 2
93 1 119 LYS H 1 120 ALA H . . 3.500 2.571 2.499 2.593 . 0 0 "[ . 1]" 2
94 1 117 HIS H 1 118 ALA H . . 3.500 2.858 2.834 2.893 . 0 0 "[ . 1]" 2
95 1 121 THR H 1 122 GLU H . . 3.500 2.727 2.690 2.768 . 0 0 "[ . 1]" 2
96 1 122 GLU H 1 123 HIS H . . 3.500 2.580 2.536 2.646 . 0 0 "[ . 1]" 2
97 1 123 HIS H 1 124 LEU H . . 3.500 2.758 2.706 2.818 . 0 0 "[ . 1]" 2
98 1 113 LEU H 1 114 ALA H . . 3.500 2.691 2.644 2.813 . 0 0 "[ . 1]" 2
99 1 116 TYR H 1 118 ALA H . . 4.400 4.371 4.258 4.439 0.039 1 0 "[ . 1]" 2
100 1 125 SER H 1 126 THR H . . 3.500 2.833 2.823 2.843 . 0 0 "[ . 1]" 2
101 1 126 THR H 1 127 LEU H . . 3.500 2.695 2.659 2.738 . 0 0 "[ . 1]" 2
102 1 124 LEU H 1 125 SER H . . 3.500 2.500 2.489 2.511 . 0 0 "[ . 1]" 2
103 1 122 GLU H 1 124 LEU H . . 4.400 4.301 4.162 4.460 0.060 8 0 "[ . 1]" 2
104 1 124 LEU H 1 126 THR H . . 4.400 4.487 4.408 4.542 0.142 8 0 "[ . 1]" 2
105 1 131 ALA H 1 132 LYS H . . 3.500 2.543 2.514 2.587 . 0 0 "[ . 1]" 2
106 1 132 LYS H 1 134 ALA H . . 4.400 3.776 3.717 3.818 . 0 0 "[ . 1]" 2
107 1 130 LYS H 1 131 ALA H . . 3.500 2.420 2.403 2.444 . 0 0 "[ . 1]" 2
108 1 130 LYS H 1 132 LYS H . . 4.400 3.962 3.909 4.024 . 0 0 "[ . 1]" 2
109 1 134 ALA H 1 136 GLU H . . 4.400 4.055 3.988 4.126 . 0 0 "[ . 1]" 2
110 1 136 GLU H 1 137 ASP H . . 3.500 2.872 2.864 2.880 . 0 0 "[ . 1]" 2
111 1 137 ASP H 1 138 LEU H . . 3.500 2.466 2.442 2.524 . 0 0 "[ . 1]" 2
112 1 136 GLU H 1 138 LEU H . . 4.400 3.918 3.879 3.990 . 0 0 "[ . 1]" 2
113 1 140 GLN H 1 141 GLY H . . 3.500 2.771 2.551 2.825 . 0 0 "[ . 1]" 2
114 1 142 LEU H 1 143 LEU H . . 3.500 2.603 2.579 2.631 . 0 0 "[ . 1]" 2
115 1 141 GLY H 1 142 LEU H . . 3.500 2.587 2.528 2.615 . 0 0 "[ . 1]" 2
116 1 140 GLN H 1 142 LEU H . . 4.400 4.078 3.981 4.453 0.053 8 0 "[ . 1]" 2
117 1 139 ARG H 1 142 LEU H . . 4.400 4.833 4.792 4.896 0.496 6 0 "[ . 1]" 2
118 1 141 GLY H 1 143 LEU H . . 4.400 4.132 3.720 4.239 . 0 0 "[ . 1]" 2
119 1 145 VAL H 1 146 LEU H . . 3.500 2.874 2.858 2.914 . 0 0 "[ . 1]" 2
120 1 146 LEU H 1 147 GLU H . . 3.500 2.674 2.665 2.682 . 0 0 "[ . 1]" 2
121 1 147 GLU H 1 149 PHE H . . 4.400 4.369 4.313 4.399 . 0 0 "[ . 1]" 2
122 1 149 PHE H 1 150 LYS H . . 3.500 2.623 2.515 2.716 . 0 0 "[ . 1]" 2
123 1 150 LYS H 1 151 VAL H . . 3.500 2.684 2.586 2.742 . 0 0 "[ . 1]" 2
124 1 150 LYS H 1 152 SER H . . 4.400 4.190 3.975 4.380 . 0 0 "[ . 1]" 2
125 1 153 PHE H 1 154 LEU H . . 3.500 2.658 2.628 2.687 . 0 0 "[ . 1]" 2
126 1 151 VAL H 1 152 SER H . . 3.500 2.773 2.715 2.832 . 0 0 "[ . 1]" 2
127 1 152 SER H 1 153 PHE H . . 3.500 2.799 2.786 2.806 . 0 0 "[ . 1]" 2
128 1 163 LYS H 1 165 ASN H . . 4.400 4.110 4.005 4.260 . 0 0 "[ . 1]" 2
129 1 163 LYS H 1 164 LEU H . . 3.500 2.738 2.570 2.810 . 0 0 "[ . 1]" 2
130 1 162 LYS H 1 164 LEU H . . 4.400 4.202 3.991 4.296 . 0 0 "[ . 1]" 2
131 1 165 ASN H 1 167 GLN H . . 4.400 5.510 4.705 6.761 2.361 4 9 [***+.****-] 2
132 1 164 LEU H 1 165 ASN H . . 3.500 2.717 2.695 2.742 . 0 0 "[ . 1]" 2
133 1 16 GLU H 1 17 PHE H . . 3.500 2.563 2.488 2.686 . 0 0 "[ . 1]" 2
134 1 65 VAL H 1 66 GLU H . . 3.500 2.665 2.608 2.699 . 0 0 "[ . 1]" 2
135 1 149 PHE H 1 151 VAL H . . 4.400 4.199 4.118 4.329 . 0 0 "[ . 1]" 2
136 1 18 TRP HD1 1 19 ASP H . . 5.500 3.283 2.727 3.939 . 0 0 "[ . 1]" 2
137 1 54 TRP H 1 54 TRP HD1 . . 5.500 5.199 5.078 5.328 . 0 0 "[ . 1]" 2
138 1 20 ASN H 1 20 ASN HD22 . . 5.500 5.113 4.411 5.621 0.121 2 0 "[ . 1]" 2
139 1 20 ASN H 1 20 ASN HD21 . . 5.500 4.324 4.081 4.935 . 0 0 "[ . 1]" 2
140 1 46 TYR QD 1 48 ASP H . . 7.630 5.614 4.800 6.083 . 0 0 "[ . 1]" 2
141 1 46 TYR QD 1 47 LEU H . . 7.630 3.903 2.923 4.530 . 0 0 "[ . 1]" 2
142 1 54 TRP HD1 1 55 GLN H . . 5.500 5.281 5.032 5.515 0.015 7 0 "[ . 1]" 2
143 1 17 PHE QD 1 18 TRP HE1 . . 7.630 7.252 5.765 7.756 0.126 1 0 "[ . 1]" 2
144 1 97 ARG QD 1 98 LEU H . . 6.380 4.256 3.567 4.902 . 0 0 "[ . 1]" 2
145 1 110 GLY H 1 112 ARG QD . . 7.630 6.409 4.942 7.570 . 0 0 "[ . 1]" 2
146 1 112 ARG QD 1 113 LEU H . . 7.630 4.712 3.549 5.338 . 0 0 "[ . 1]" 2
147 1 46 TYR QD 1 49 ASP H . . 7.630 4.979 4.721 5.288 . 0 0 "[ . 1]" 2
148 1 16 GLU H 1 17 PHE QD . . 7.630 5.679 4.249 6.309 . 0 0 "[ . 1]" 2
149 1 3 PHE QD 1 5 LYS H . . 7.630 4.908 2.153 6.023 . 0 0 "[ . 1]" 2
150 1 18 TRP HE1 1 19 ASP H . . 5.500 4.666 4.219 5.850 0.350 10 0 "[ . 1]" 2
151 1 14 THR MG 1 18 TRP HE1 . . 6.520 5.528 3.649 6.541 0.021 9 0 "[ . 1]" 2
152 1 6 LEU MD1 1 7 ARG H . . 6.520 4.337 3.870 4.837 . 0 0 "[ . 1]" 2
153 1 10 LEU MD1 1 11 GLY H . . 6.520 3.492 2.469 4.575 . 0 0 "[ . 1]" 2
154 1 10 LEU MD1 1 14 THR H . . 6.520 5.259 3.675 6.508 . 0 0 "[ . 1]" 2
155 1 13 VAL MG1 1 14 THR H . . 6.520 3.917 3.692 4.004 . 0 0 "[ . 1]" 2
156 1 127 LEU MD1 1 128 SER H . . 6.520 4.569 4.458 4.704 . 0 0 "[ . 1]" 2
157 1 135 LEU MD1 1 136 GLU H . . 6.520 4.438 3.008 4.887 . 0 0 "[ . 1]" 2
158 1 139 ARG H 1 140 GLN QB . . 6.520 4.398 4.312 4.462 . 0 0 "[ . 1]" 2
159 1 13 VAL MG1 1 15 GLN H . . 6.520 5.381 4.631 5.858 . 0 0 "[ . 1]" 2
160 1 21 LEU MD1 1 22 GLU H . . 6.520 4.385 3.960 4.674 . 0 0 "[ . 1]" 2
161 1 39 VAL MG1 1 41 ALA H . . 6.520 5.300 5.092 5.384 . 0 0 "[ . 1]" 2
162 1 39 VAL MG1 1 42 LYS H . . 6.520 4.850 4.812 4.897 . 0 0 "[ . 1]" 2
163 1 39 VAL MG1 1 40 LYS H . . 6.520 3.502 3.213 3.602 . 0 0 "[ . 1]" 2
164 1 46 TYR QD 1 47 LEU MD1 . . 8.650 4.271 1.918 5.586 . 0 0 "[ . 1]" 2
165 1 47 LEU MD1 1 48 ASP H . . 6.520 4.156 3.301 4.678 . 0 0 "[ . 1]" 2
166 1 156 ALA H 1 157 LEU MD1 . . 6.520 5.217 5.044 6.306 . 0 0 "[ . 1]" 2
167 1 146 LEU MD1 1 150 LYS H . . 6.520 5.582 5.272 5.867 . 0 0 "[ . 1]" 2
168 1 42 LYS H 1 43 VAL MG1 . . 6.520 5.473 5.351 5.510 . 0 0 "[ . 1]" 2
169 1 43 VAL MG1 1 46 TYR QD . . 8.650 4.087 3.666 5.165 . 0 0 "[ . 1]" 2
170 1 63 GLN H 1 65 VAL MG1 . . 6.520 6.518 6.321 6.628 0.108 7 0 "[ . 1]" 2
171 1 62 ARG H 1 65 VAL MG1 . . 6.520 6.286 6.020 6.455 . 0 0 "[ . 1]" 2
172 1 65 VAL MG1 1 66 GLU H . . 6.520 3.567 3.401 3.664 . 0 0 "[ . 1]" 2
173 1 10 LEU MD1 1 13 VAL H . . 6.520 5.325 4.240 6.590 0.070 9 0 "[ . 1]" 2
174 1 134 ALA H 1 135 LEU MD1 . . 6.520 6.017 5.102 6.211 . 0 0 "[ . 1]" 2
175 1 135 LEU MD1 1 138 LEU H . . 6.520 5.546 4.583 6.376 . 0 0 "[ . 1]" 2
176 1 135 LEU MD1 1 136 GLU QB . . 7.540 5.594 3.902 6.162 . 0 0 "[ . 1]" 2
177 1 35 ASP H 1 36 LEU MD1 . . 6.520 5.544 4.207 6.456 . 0 0 "[ . 1]" 2
178 1 36 LEU MD1 1 37 GLU H . . 6.520 4.398 3.962 4.736 . 0 0 "[ . 1]" 2
179 1 3 PHE QD 1 6 LEU MD1 . . 8.650 4.524 2.236 6.672 . 0 0 "[ . 1]" 2
180 1 10 LEU MD1 1 13 VAL MG1 . . 7.540 5.122 1.898 7.204 . 0 0 "[ . 1]" 2
181 1 98 LEU QB 1 99 ALA H . . 6.520 2.434 2.319 2.665 . 0 0 "[ . 1]" 2
182 1 136 GLU QB 1 137 ASP H . . 6.520 2.453 2.351 2.529 . 0 0 "[ . 1]" 2
183 2 91 SER H 2 92 ASP H . . 3.500 2.779 2.717 2.864 . 0 0 "[ . 1]" 2
184 2 91 SER H 2 93 GLU H . . 4.400 4.123 3.932 4.282 . 0 0 "[ . 1]" 2
185 2 90 TYR H 2 91 SER H . . 3.500 2.664 2.624 2.717 . 0 0 "[ . 1]" 2
186 2 90 TYR H 2 92 ASP H . . 4.400 4.535 4.391 4.619 0.219 3 0 "[ . 1]" 2
187 2 90 TYR H 2 93 GLU H . . 4.400 4.947 4.817 5.051 0.651 10 7 "[** *** -+]" 2
188 2 92 ASP H 2 93 GLU H . . 3.500 2.683 2.575 2.750 . 0 0 "[ . 1]" 2
189 2 97 ARG H 2 98 LEU H . . 3.500 2.646 2.545 2.715 . 0 0 "[ . 1]" 2
190 2 96 GLN H 2 98 LEU H . . 4.400 4.201 4.025 4.381 . 0 0 "[ . 1]" 2
191 2 98 LEU H 2 100 ALA H . . 4.400 4.064 3.952 4.252 . 0 0 "[ . 1]" 2
192 2 98 LEU H 2 99 ALA H . . 3.500 2.691 2.593 2.792 . 0 0 "[ . 1]" 2
193 2 99 ALA H 2 101 ARG H . . 4.400 4.120 4.053 4.239 . 0 0 "[ . 1]" 2
194 2 99 ALA H 2 100 ALA H . . 3.500 2.755 2.635 2.809 . 0 0 "[ . 1]" 2
195 2 100 ALA H 2 101 ARG H . . 3.500 2.498 2.427 2.533 . 0 0 "[ . 1]" 2
196 2 112 ARG H 2 113 LEU H . . 3.500 2.520 2.479 2.711 . 0 0 "[ . 1]" 2
197 2 108 ASN H 2 109 GLY H . . 3.500 2.593 2.475 2.711 . 0 0 "[ . 1]" 2
198 2 7 ARG H 2 8 GLU H . . 3.500 2.646 2.519 2.706 . 0 0 "[ . 1]" 2
199 2 9 GLN H 2 10 LEU H . . 3.500 2.461 2.416 2.593 . 0 0 "[ . 1]" 2
200 2 9 GLN H 2 11 GLY H . . 4.400 4.414 4.327 4.474 0.074 5 0 "[ . 1]" 2
201 2 10 LEU H 2 11 GLY H . . 3.500 2.806 2.727 2.875 . 0 0 "[ . 1]" 2
202 2 13 VAL H 2 14 THR H . . 3.500 2.644 2.435 2.783 . 0 0 "[ . 1]" 2
203 2 5 LYS H 2 7 ARG H . . 4.400 4.049 3.900 4.199 . 0 0 "[ . 1]" 2
204 2 7 ARG H 2 9 GLN H . . 4.400 4.032 3.845 4.250 . 0 0 "[ . 1]" 2
205 2 8 GLU H 2 10 LEU H . . 4.400 3.868 3.680 3.954 . 0 0 "[ . 1]" 2
206 2 6 LEU H 2 7 ARG H . . 3.500 2.627 2.518 2.724 . 0 0 "[ . 1]" 2
207 2 13 VAL H 2 15 GLN H . . 4.400 4.363 3.875 4.591 0.191 7 0 "[ . 1]" 2
208 2 14 THR H 2 15 GLN H . . 3.500 2.785 2.646 2.909 . 0 0 "[ . 1]" 2
209 2 15 GLN H 2 16 GLU H . . 3.500 2.771 2.610 2.841 . 0 0 "[ . 1]" 2
210 2 14 THR H 2 16 GLU H . . 4.400 4.406 3.826 4.643 0.243 9 0 "[ . 1]" 2
211 2 21 LEU H 2 22 GLU H . . 3.500 2.810 2.599 2.862 . 0 0 "[ . 1]" 2
212 2 22 GLU H 2 23 LYS H . . 3.500 2.659 2.495 2.746 . 0 0 "[ . 1]" 2
213 2 21 LEU H 2 23 LYS H . . 4.400 3.928 3.836 4.017 . 0 0 "[ . 1]" 2
214 2 19 ASP H 2 20 ASN H . . 3.500 2.731 2.619 2.848 . 0 0 "[ . 1]" 2
215 2 19 ASP H 2 22 GLU H . . 4.400 4.712 4.533 4.763 0.363 2 0 "[ . 1]" 2
216 2 139 ARG H 2 140 GLN H . . 3.500 2.596 2.531 2.645 . 0 0 "[ . 1]" 2
217 2 139 ARG H 2 141 GLY H . . 4.400 4.304 3.855 4.444 0.044 10 0 "[ . 1]" 2
218 2 137 ASP H 2 139 ARG H . . 4.400 4.401 4.338 4.440 0.040 4 0 "[ . 1]" 2
219 2 19 ASP H 2 21 LEU H . . 4.400 4.002 3.859 4.203 . 0 0 "[ . 1]" 2
220 2 20 ASN H 2 22 GLU H . . 4.400 4.453 4.253 4.495 0.095 1 0 "[ . 1]" 2
221 2 23 LYS H 2 24 GLU H . . 3.500 2.793 2.501 2.853 . 0 0 "[ . 1]" 2
222 2 27 GLY H 2 28 LEU H . . 3.500 2.769 2.520 2.815 . 0 0 "[ . 1]" 2
223 2 109 GLY H 2 110 GLY H . . 3.500 2.796 2.731 2.817 . 0 0 "[ . 1]" 2
224 2 32 MET H 2 33 SER H . . 3.500 2.701 2.614 2.754 . 0 0 "[ . 1]" 2
225 2 32 MET H 2 34 LYS H . . 4.400 4.367 3.806 4.446 0.046 10 0 "[ . 1]" 2
226 2 33 SER H 2 34 LYS H . . 3.500 2.785 2.602 2.814 . 0 0 "[ . 1]" 2
227 2 34 LYS H 2 35 ASP H . . 3.500 2.728 2.533 2.767 . 0 0 "[ . 1]" 2
228 2 35 ASP H 2 36 LEU H . . 3.500 2.810 2.744 2.826 . 0 0 "[ . 1]" 2
229 2 34 LYS H 2 36 LEU H . . 4.400 4.320 4.223 4.377 . 0 0 "[ . 1]" 2
230 2 40 LYS H 2 41 ALA H . . 3.500 2.632 2.618 2.653 . 0 0 "[ . 1]" 2
231 2 39 VAL H 2 41 ALA H . . 4.400 4.445 4.421 4.483 0.083 4 0 "[ . 1]" 2
232 2 46 TYR H 2 47 LEU H . . 3.500 2.740 2.592 2.942 . 0 0 "[ . 1]" 2
233 2 46 TYR H 2 48 ASP H . . 4.400 4.326 3.914 4.546 0.146 9 0 "[ . 1]" 2
234 2 48 ASP H 2 49 ASP H . . 3.500 2.699 2.659 2.785 . 0 0 "[ . 1]" 2
235 2 47 LEU H 2 49 ASP H . . 4.400 4.037 3.801 4.555 0.155 4 0 "[ . 1]" 2
236 2 47 LEU H 2 48 ASP H . . 3.500 2.596 2.564 2.662 . 0 0 "[ . 1]" 2
237 2 49 ASP H 2 50 PHE H . . 3.500 2.632 2.514 2.666 . 0 0 "[ . 1]" 2
238 2 49 ASP H 2 51 GLN H . . 4.400 4.331 4.315 4.373 . 0 0 "[ . 1]" 2
239 2 50 PHE H 2 51 GLN H . . 3.500 2.851 2.807 2.875 . 0 0 "[ . 1]" 2
240 2 50 PHE H 2 52 LYS H . . 4.400 4.216 4.081 4.272 . 0 0 "[ . 1]" 2
241 2 51 GLN H 2 52 LYS H . . 3.500 2.713 2.679 2.770 . 0 0 "[ . 1]" 2
242 2 52 LYS H 2 53 LYS H . . 3.500 2.635 2.614 2.661 . 0 0 "[ . 1]" 2
243 2 52 LYS H 2 54 TRP H . . 4.400 4.512 4.446 4.552 0.152 7 0 "[ . 1]" 2
244 2 54 TRP H 2 55 GLN H . . 3.500 2.579 2.467 2.621 . 0 0 "[ . 1]" 2
245 2 55 GLN H 2 57 GLU H . . 4.400 3.807 3.763 3.834 . 0 0 "[ . 1]" 2
246 2 59 GLU H 2 60 LEU H . . 3.500 2.621 2.586 2.685 . 0 0 "[ . 1]" 2
247 2 58 MET H 2 59 GLU H . . 3.500 2.713 2.693 2.735 . 0 0 "[ . 1]" 2
248 2 57 GLU H 2 58 MET H . . 3.500 2.527 2.510 2.546 . 0 0 "[ . 1]" 2
249 2 58 MET H 2 60 LEU H . . 4.400 3.884 3.811 4.035 . 0 0 "[ . 1]" 2
250 2 60 LEU H 2 61 TYR H . . 3.500 2.439 2.431 2.452 . 0 0 "[ . 1]" 2
251 2 93 GLU H 2 94 LEU H . . 3.500 2.753 2.659 2.842 . 0 0 "[ . 1]" 2
252 2 94 LEU H 2 95 ARG H . . 3.500 2.766 2.688 2.804 . 0 0 "[ . 1]" 2
253 2 95 ARG H 2 96 GLN H . . 3.500 2.691 2.623 2.760 . 0 0 "[ . 1]" 2
254 2 96 GLN H 2 97 ARG H . . 3.500 2.688 2.613 2.825 . 0 0 "[ . 1]" 2
255 2 101 ARG H 2 102 LEU H . . 3.500 2.619 2.482 2.751 . 0 0 "[ . 1]" 2
256 2 102 LEU H 2 103 GLU H . . 3.500 2.651 2.600 2.689 . 0 0 "[ . 1]" 2
257 2 103 GLU H 2 104 ALA H . . 3.500 2.675 2.549 2.807 . 0 0 "[ . 1]" 2
258 2 102 LEU H 2 104 ALA H . . 4.400 4.043 3.868 4.238 . 0 0 "[ . 1]" 2
259 2 101 ARG H 2 103 GLU H . . 4.400 4.304 4.147 4.381 . 0 0 "[ . 1]" 2
260 2 105 LEU H 2 106 LYS H . . 3.500 2.675 2.566 2.751 . 0 0 "[ . 1]" 2
261 2 103 GLU H 2 105 LEU H . . 4.400 4.218 4.051 4.309 . 0 0 "[ . 1]" 2
262 2 106 LYS H 2 107 GLU H . . 3.500 2.543 2.459 2.656 . 0 0 "[ . 1]" 2
263 2 107 GLU H 2 108 ASN H . . 3.500 2.894 2.798 2.938 . 0 0 "[ . 1]" 2
264 2 107 GLU H 2 109 GLY H . . 4.400 3.909 3.795 4.221 . 0 0 "[ . 1]" 2
265 2 116 TYR H 2 117 HIS H . . 3.500 2.741 2.701 2.801 . 0 0 "[ . 1]" 2
266 2 118 ALA H 2 119 LYS H . . 3.500 2.652 2.609 2.711 . 0 0 "[ . 1]" 2
267 2 120 ALA H 2 121 THR H . . 3.500 2.613 2.579 2.687 . 0 0 "[ . 1]" 2
268 2 119 LYS H 2 120 ALA H . . 3.500 2.570 2.498 2.592 . 0 0 "[ . 1]" 2
269 2 117 HIS H 2 118 ALA H . . 3.500 2.858 2.836 2.888 . 0 0 "[ . 1]" 2
270 2 121 THR H 2 122 GLU H . . 3.500 2.729 2.692 2.769 . 0 0 "[ . 1]" 2
271 2 122 GLU H 2 123 HIS H . . 3.500 2.579 2.536 2.646 . 0 0 "[ . 1]" 2
272 2 123 HIS H 2 124 LEU H . . 3.500 2.757 2.707 2.816 . 0 0 "[ . 1]" 2
273 2 113 LEU H 2 114 ALA H . . 3.500 2.694 2.646 2.816 . 0 0 "[ . 1]" 2
274 2 116 TYR H 2 118 ALA H . . 4.400 4.368 4.257 4.444 0.044 5 0 "[ . 1]" 2
275 2 125 SER H 2 126 THR H . . 3.500 2.833 2.823 2.842 . 0 0 "[ . 1]" 2
276 2 126 THR H 2 127 LEU H . . 3.500 2.694 2.659 2.736 . 0 0 "[ . 1]" 2
277 2 124 LEU H 2 125 SER H . . 3.500 2.499 2.489 2.510 . 0 0 "[ . 1]" 2
278 2 122 GLU H 2 124 LEU H . . 4.400 4.299 4.164 4.458 0.058 8 0 "[ . 1]" 2
279 2 124 LEU H 2 126 THR H . . 4.400 4.485 4.409 4.540 0.140 8 0 "[ . 1]" 2
280 2 131 ALA H 2 132 LYS H . . 3.500 2.543 2.513 2.587 . 0 0 "[ . 1]" 2
281 2 132 LYS H 2 134 ALA H . . 4.400 3.775 3.718 3.817 . 0 0 "[ . 1]" 2
282 2 130 LYS H 2 131 ALA H . . 3.500 2.419 2.402 2.443 . 0 0 "[ . 1]" 2
283 2 130 LYS H 2 132 LYS H . . 4.400 3.960 3.906 4.024 . 0 0 "[ . 1]" 2
284 2 134 ALA H 2 136 GLU H . . 4.400 4.055 3.985 4.129 . 0 0 "[ . 1]" 2
285 2 136 GLU H 2 137 ASP H . . 3.500 2.871 2.862 2.878 . 0 0 "[ . 1]" 2
286 2 137 ASP H 2 138 LEU H . . 3.500 2.466 2.442 2.525 . 0 0 "[ . 1]" 2
287 2 136 GLU H 2 138 LEU H . . 4.400 3.921 3.881 3.994 . 0 0 "[ . 1]" 2
288 2 140 GLN H 2 141 GLY H . . 3.500 2.771 2.550 2.825 . 0 0 "[ . 1]" 2
289 2 142 LEU H 2 143 LEU H . . 3.500 2.603 2.581 2.629 . 0 0 "[ . 1]" 2
290 2 141 GLY H 2 142 LEU H . . 3.500 2.587 2.528 2.616 . 0 0 "[ . 1]" 2
291 2 140 GLN H 2 142 LEU H . . 4.400 4.079 3.981 4.454 0.054 8 0 "[ . 1]" 2
292 2 139 ARG H 2 142 LEU H . . 4.400 4.834 4.793 4.897 0.497 6 0 "[ . 1]" 2
293 2 141 GLY H 2 143 LEU H . . 4.400 4.132 3.719 4.237 . 0 0 "[ . 1]" 2
294 2 145 VAL H 2 146 LEU H . . 3.500 2.874 2.858 2.914 . 0 0 "[ . 1]" 2
295 2 146 LEU H 2 147 GLU H . . 3.500 2.675 2.664 2.683 . 0 0 "[ . 1]" 2
296 2 147 GLU H 2 149 PHE H . . 4.400 4.369 4.313 4.400 . 0 0 "[ . 1]" 2
297 2 149 PHE H 2 150 LYS H . . 3.500 2.624 2.515 2.715 . 0 0 "[ . 1]" 2
298 2 150 LYS H 2 151 VAL H . . 3.500 2.684 2.588 2.742 . 0 0 "[ . 1]" 2
299 2 150 LYS H 2 152 SER H . . 4.400 4.191 3.977 4.380 . 0 0 "[ . 1]" 2
300 2 153 PHE H 2 154 LEU H . . 3.500 2.657 2.628 2.685 . 0 0 "[ . 1]" 2
301 2 151 VAL H 2 152 SER H . . 3.500 2.773 2.716 2.832 . 0 0 "[ . 1]" 2
302 2 152 SER H 2 153 PHE H . . 3.500 2.799 2.786 2.805 . 0 0 "[ . 1]" 2
303 2 163 LYS H 2 165 ASN H . . 4.400 4.110 4.006 4.260 . 0 0 "[ . 1]" 2
304 2 163 LYS H 2 164 LEU H . . 3.500 2.738 2.570 2.810 . 0 0 "[ . 1]" 2
305 2 162 LYS H 2 164 LEU H . . 4.400 4.202 3.993 4.295 . 0 0 "[ . 1]" 2
306 2 165 ASN H 2 167 GLN H . . 4.400 5.508 4.702 6.758 2.358 4 9 [***+.****-] 2
307 2 164 LEU H 2 165 ASN H . . 3.500 2.717 2.696 2.742 . 0 0 "[ . 1]" 2
308 2 16 GLU H 2 17 PHE H . . 3.500 2.567 2.488 2.686 . 0 0 "[ . 1]" 2
309 2 65 VAL H 2 66 GLU H . . 3.500 2.668 2.598 2.708 . 0 0 "[ . 1]" 2
310 2 149 PHE H 2 151 VAL H . . 4.400 4.199 4.118 4.329 . 0 0 "[ . 1]" 2
311 2 18 TRP HD1 2 19 ASP H . . 5.500 3.261 2.725 3.868 . 0 0 "[ . 1]" 2
312 2 54 TRP H 2 54 TRP HD1 . . 5.500 5.237 5.155 5.313 . 0 0 "[ . 1]" 2
313 2 20 ASN H 2 20 ASN HD22 . . 5.500 5.113 4.411 5.618 0.118 2 0 "[ . 1]" 2
314 2 20 ASN H 2 20 ASN HD21 . . 5.500 4.287 4.081 4.934 . 0 0 "[ . 1]" 2
315 2 46 TYR QD 2 48 ASP H . . 7.630 5.592 4.861 5.941 . 0 0 "[ . 1]" 2
316 2 46 TYR QD 2 47 LEU H . . 7.630 3.758 3.036 4.221 . 0 0 "[ . 1]" 2
317 2 54 TRP HD1 2 55 GLN H . . 5.500 5.280 5.136 5.566 0.066 9 0 "[ . 1]" 2
318 2 17 PHE QD 2 18 TRP HE1 . . 7.630 7.448 6.297 7.757 0.127 1 0 "[ . 1]" 2
319 2 97 ARG QD 2 98 LEU H . . 6.380 4.257 3.557 4.902 . 0 0 "[ . 1]" 2
320 2 110 GLY H 2 112 ARG QD . . 7.630 6.402 4.942 7.571 . 0 0 "[ . 1]" 2
321 2 112 ARG QD 2 113 LEU H . . 7.630 4.705 3.551 5.338 . 0 0 "[ . 1]" 2
322 2 46 TYR QD 2 49 ASP H . . 7.630 5.199 4.954 5.531 . 0 0 "[ . 1]" 2
323 2 16 GLU H 2 17 PHE QD . . 7.630 5.683 4.253 6.310 . 0 0 "[ . 1]" 2
324 2 3 PHE QD 2 5 LYS H . . 7.630 4.910 2.149 6.024 . 0 0 "[ . 1]" 2
325 2 18 TRP HE1 2 19 ASP H . . 5.500 4.519 4.223 5.811 0.311 2 0 "[ . 1]" 2
326 2 14 THR MG 2 18 TRP HE1 . . 6.520 5.801 3.649 6.576 0.056 10 0 "[ . 1]" 2
327 2 6 LEU MD1 2 7 ARG H . . 6.520 4.337 3.871 4.838 . 0 0 "[ . 1]" 2
328 2 10 LEU MD1 2 11 GLY H . . 6.520 3.496 2.467 4.580 . 0 0 "[ . 1]" 2
329 2 10 LEU MD1 2 14 THR H . . 6.520 5.265 3.669 6.507 . 0 0 "[ . 1]" 2
330 2 13 VAL MG1 2 14 THR H . . 6.520 3.915 3.692 3.995 . 0 0 "[ . 1]" 2
331 2 21 LEU MD1 2 22 GLU H . . 6.520 4.384 3.960 4.674 . 0 0 "[ . 1]" 2
332 2 39 VAL MG1 2 41 ALA H . . 6.520 5.316 5.102 5.405 . 0 0 "[ . 1]" 2
333 2 39 VAL MG1 2 42 LYS H . . 6.520 4.883 4.850 4.919 . 0 0 "[ . 1]" 2
334 2 39 VAL MG1 2 40 LYS H . . 6.520 3.503 3.190 3.598 . 0 0 "[ . 1]" 2
335 2 46 TYR QD 2 47 LEU MD1 . . 8.650 3.849 1.888 5.810 . 0 0 "[ . 1]" 2
336 2 47 LEU MD1 2 48 ASP H . . 6.520 4.145 3.264 4.691 . 0 0 "[ . 1]" 2
337 2 156 ALA H 2 157 LEU MD1 . . 6.520 5.217 5.043 6.305 . 0 0 "[ . 1]" 2
338 2 146 LEU MD1 2 150 LYS H . . 6.520 5.581 5.272 5.867 . 0 0 "[ . 1]" 2
339 2 42 LYS H 2 43 VAL MG1 . . 6.520 5.438 5.357 5.466 . 0 0 "[ . 1]" 2
340 2 43 VAL MG1 2 46 TYR QD . . 8.650 4.006 3.449 4.726 . 0 0 "[ . 1]" 2
341 2 63 GLN H 2 65 VAL MG1 . . 6.520 6.519 6.348 6.647 0.127 7 0 "[ . 1]" 2
342 2 62 ARG H 2 65 VAL MG1 . . 6.520 6.262 6.019 6.446 . 0 0 "[ . 1]" 2
343 2 65 VAL MG1 2 66 GLU H . . 6.520 3.561 3.425 3.666 . 0 0 "[ . 1]" 2
344 2 10 LEU MD1 2 13 VAL H . . 6.520 5.329 4.237 6.590 0.070 9 0 "[ . 1]" 2
345 2 134 ALA H 2 135 LEU MD1 . . 6.520 6.015 5.101 6.209 . 0 0 "[ . 1]" 2
346 2 135 LEU MD1 2 136 GLU H . . 6.520 4.438 3.009 4.890 . 0 0 "[ . 1]" 2
347 2 135 LEU MD1 2 138 LEU H . . 6.520 5.543 4.586 6.376 . 0 0 "[ . 1]" 2
348 2 135 LEU MD1 2 136 GLU QB . . 7.540 5.594 3.894 6.163 . 0 0 "[ . 1]" 2
349 2 35 ASP H 2 36 LEU MD1 . . 6.520 5.555 4.217 6.460 . 0 0 "[ . 1]" 2
350 2 36 LEU MD1 2 37 GLU H . . 6.520 4.400 3.950 4.746 . 0 0 "[ . 1]" 2
351 2 3 PHE QD 2 6 LEU MD1 . . 8.650 4.521 2.234 6.641 . 0 0 "[ . 1]" 2
352 2 10 LEU MD1 2 13 VAL MG1 . . 7.540 5.127 1.900 7.202 . 0 0 "[ . 1]" 2
353 2 98 LEU QB 2 99 ALA H . . 6.520 2.442 2.322 2.673 . 0 0 "[ . 1]" 2
354 2 136 GLU QB 2 137 ASP H . . 6.520 2.455 2.352 2.531 . 0 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 414
_Distance_constraint_stats_list.Viol_count 3922
_Distance_constraint_stats_list.Viol_total 16145.099
_Distance_constraint_stats_list.Viol_max 6.191
_Distance_constraint_stats_list.Viol_rms 0.4692
_Distance_constraint_stats_list.Viol_average_all_restraints 0.3900
_Distance_constraint_stats_list.Viol_average_violations_only 0.4117
_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 SER 5.639 0.325 9 0 "[ . 1]"
1 5 LYS 2.857 0.274 9 0 "[ . 1]"
1 8 GLU 5.639 0.325 9 0 "[ . 1]"
1 9 GLN 2.857 0.274 9 0 "[ . 1]"
1 13 VAL 5.114 0.406 8 0 "[ . 1]"
1 14 THR 6.274 0.471 1 0 "[ . 1]"
1 15 GLN 5.280 0.375 4 0 "[ . 1]"
1 16 GLU 1.116 0.335 8 0 "[ . 1]"
1 17 PHE 9.039 0.406 8 0 "[ . 1]"
1 18 TRP 9.494 0.471 1 0 "[ . 1]"
1 19 ASP 9.082 0.375 4 0 "[ . 1]"
1 20 ASN 9.316 0.487 5 0 "[ . 1]"
1 21 LEU 3.925 0.333 10 0 "[ . 1]"
1 22 GLU 3.220 0.275 9 0 "[ . 1]"
1 23 LYS 3.802 0.330 5 0 "[ . 1]"
1 24 GLU 8.200 0.487 5 0 "[ . 1]"
1 27 GLY 5.915 0.381 7 0 "[ . 1]"
1 28 LEU 4.994 0.357 7 0 "[ . 1]"
1 29 ARG 7.120 0.407 3 0 "[ . 1]"
1 30 GLN 5.490 0.351 7 0 "[ . 1]"
1 31 GLU 11.693 0.381 7 0 "[ . 1]"
1 32 MET 10.328 0.357 8 0 "[ . 1]"
1 33 SER 14.382 0.436 3 0 "[ . 1]"
1 34 LYS 11.029 0.358 9 0 "[ . 1]"
1 35 ASP 8.599 0.352 2 0 "[ . 1]"
1 36 LEU 10.310 0.357 8 0 "[ . 1]"
1 37 GLU 13.975 0.436 3 0 "[ . 1]"
1 38 GLU 8.889 0.358 9 0 "[ . 1]"
1 39 VAL 8.457 0.380 7 0 "[ . 1]"
1 40 LYS 17.049 0.640 7 10 [*-****+***]
1 41 ALA 6.713 0.415 9 0 "[ . 1]"
1 42 LYS 5.851 0.241 9 0 "[ . 1]"
1 43 VAL 12.099 0.414 5 0 "[ . 1]"
1 44 GLN 35.622 1.282 7 10 [*-****+***]
1 45 PRO 5.932 0.442 5 0 "[ . 1]"
1 46 TYR 10.222 0.468 8 0 "[ . 1]"
1 47 LEU 14.865 0.524 9 4 "[- . * +*]"
1 48 ASP 26.728 1.282 7 10 [******+-**]
1 49 ASP 9.655 0.442 5 0 "[ . 1]"
1 50 PHE 18.627 0.610 7 8 "[* * -*+***]"
1 51 GLN 16.970 0.524 9 4 "[- . * +*]"
1 52 LYS 15.507 0.723 5 10 [****+**-**]
1 53 LYS 8.187 0.438 8 0 "[ . 1]"
1 54 TRP 14.077 0.610 7 8 "[* * -*+***]"
1 55 GLN 19.244 0.632 2 10 [*+******-*]
1 56 GLU 18.386 0.723 5 10 [***-+*****]
1 57 GLU 7.550 0.438 8 0 "[ . 1]"
1 58 MET 15.440 0.704 7 10 [****-*+***]
1 59 GLU 18.511 0.632 2 10 [*+******-*]
1 60 LEU 11.128 0.537 5 2 "[ -+ 1]"
1 61 TYR 8.717 0.443 7 0 "[ . 1]"
1 62 ARG 21.932 0.704 7 10 [-*****+***]
1 63 GLN 7.834 0.467 5 0 "[ . 1]"
1 64 LYS 5.070 0.433 3 0 "[ . 1]"
1 65 VAL 5.630 0.443 7 0 "[ . 1]"
1 66 GLU 9.663 0.525 2 6 "[-+* *** 1]"
1 90 TYR 3.163 0.433 8 0 "[ . 1]"
1 91 SER 3.035 0.489 8 0 "[ . 1]"
1 92 ASP 3.082 0.333 9 0 "[ . 1]"
1 93 GLU 8.640 0.491 4 0 "[ . 1]"
1 94 LEU 9.847 0.591 5 3 "[ - + * 1]"
1 95 ARG 3.332 0.489 8 0 "[ . 1]"
1 96 GLN 4.940 0.333 9 0 "[ . 1]"
1 97 ARG 12.702 0.491 4 0 "[ . 1]"
1 98 LEU 12.145 0.591 5 4 "[ * + * -]"
1 99 ALA 9.861 0.590 10 5 "[ *-* * +]"
1 100 ALA 2.633 0.275 7 0 "[ . 1]"
1 101 ARG 9.617 0.469 8 0 "[ . 1]"
1 102 LEU 15.155 0.568 3 8 "[**+** **-]"
1 103 GLU 17.511 0.590 10 5 "[ *-* * +]"
1 104 ALA 17.948 1.298 8 10 [******-+**]
1 105 LEU 19.194 1.010 1 10 [+*****-***]
1 106 LYS 26.814 1.202 8 9 [-******+*1]
1 107 GLU 7.947 0.533 8 1 "[ . + 1]"
1 108 ASN 30.650 1.298 8 10 [******-+**]
1 109 GLY 13.639 1.010 1 10 [+*****-***]
1 110 GLY 17.119 1.202 8 9 [******-+*1]
1 111 ALA 10.362 0.590 8 10 [*****-*+**]
1 112 ARG 14.072 1.032 5 7 "[ ***+*- *1]"
1 113 LEU 8.140 0.579 10 1 "[ . +]"
1 114 ALA 10.122 0.610 10 9 "[ *******-+]"
1 115 GLU 19.885 0.590 8 10 [*****-*+**]
1 116 TYR 0.955 0.115 5 0 "[ . 1]"
1 117 HIS 8.351 0.579 10 1 "[ . +]"
1 118 ALA 20.517 0.610 10 10 [********-+]
1 119 LYS 14.483 0.547 4 6 "[ **+*-* 1]"
1 120 ALA 8.332 0.455 4 0 "[ . 1]"
1 121 THR 8.367 0.472 2 0 "[ . 1]"
1 122 GLU 20.604 0.562 10 10 [*******-*+]
1 123 HIS 15.393 0.566 2 10 [*+*******-]
1 124 LEU 8.206 0.455 4 0 "[ . 1]"
1 125 SER 18.366 0.569 8 10 [*******+*-]
1 126 THR 10.209 0.562 10 10 [*******-*+]
1 127 LEU 10.433 0.566 2 10 [*+*******-]
1 128 SER 0.234 0.049 10 0 "[ . 1]"
1 129 GLU 10.209 0.569 8 10 [*******+*-]
1 133 PRO 20.800 1.121 10 10 [*******-*+]
1 134 ALA 6.705 0.462 10 0 "[ . 1]"
1 135 LEU 2.319 0.334 6 0 "[ . 1]"
1 136 GLU 11.288 0.590 6 10 [-****+****]
1 137 ASP 27.292 1.121 10 10 [*******-*+]
1 138 LEU 17.177 0.587 10 9 "[***-*** *+]"
1 139 ARG 12.136 0.589 4 8 "[***+- * **]"
1 140 GLN 25.385 1.437 6 10 [-****+****]
1 141 GLY 13.327 0.474 9 0 "[ . 1]"
1 142 LEU 10.555 0.587 10 9 "[***-*** *+]"
1 143 LEU 20.864 0.615 10 10 [****-****+]
1 144 PRO 19.680 1.437 6 10 [*-***+****]
1 145 VAL 20.576 0.741 10 10 [*******-*+]
1 146 LEU 8.724 0.610 8 5 "[* * .*-+ 1]"
1 147 GLU 11.940 0.615 10 10 [*****-***+]
1 148 SER 5.583 0.403 4 0 "[ . 1]"
1 149 PHE 13.740 0.741 10 10 [*******-*+]
1 150 LYS 12.357 0.610 8 5 "[* * .*-+ 1]"
1 151 VAL 0.893 0.161 8 0 "[ . 1]"
1 152 SER 11.050 0.638 10 10 [****-****+]
1 153 PHE 10.030 0.557 7 9 "[***** +-**]"
1 154 LEU 3.717 0.330 9 0 "[ . 1]"
1 156 ALA 16.525 0.638 10 10 [******-**+]
1 157 LEU 19.022 0.557 7 9 "[***** +**-]"
1 158 GLU 5.964 0.462 4 0 "[ . 1]"
1 160 TYR 11.044 0.564 7 2 "[ . + *]"
1 161 THR 11.847 0.527 7 3 "[ . + *-]"
1 162 LYS 5.964 0.462 4 0 "[ . 1]"
1 163 LYS 85.720 6.191 9 10 [-*******+*]
1 164 LEU 5.569 0.372 7 0 "[ . 1]"
1 165 ASN 2.856 0.355 10 0 "[ . 1]"
1 167 GLN 85.720 6.191 9 10 [-*******+*]
2 4 SER 5.658 0.324 9 0 "[ . 1]"
2 5 LYS 2.856 0.273 9 0 "[ . 1]"
2 8 GLU 5.658 0.324 9 0 "[ . 1]"
2 9 GLN 2.856 0.273 9 0 "[ . 1]"
2 13 VAL 5.108 0.405 8 0 "[ . 1]"
2 14 THR 6.372 0.483 10 0 "[ . 1]"
2 15 GLN 5.296 0.375 4 0 "[ . 1]"
2 16 GLU 1.104 0.335 8 0 "[ . 1]"
2 17 PHE 9.054 0.405 8 0 "[ . 1]"
2 18 TRP 9.813 0.483 10 0 "[ . 1]"
2 19 ASP 9.093 0.375 4 0 "[ . 1]"
2 20 ASN 9.258 0.487 5 0 "[ . 1]"
2 21 LEU 3.946 0.336 10 0 "[ . 1]"
2 22 GLU 3.441 0.275 9 0 "[ . 1]"
2 23 LYS 3.797 0.330 5 0 "[ . 1]"
2 24 GLU 8.154 0.487 5 0 "[ . 1]"
2 27 GLY 5.927 0.380 7 0 "[ . 1]"
2 28 LEU 5.032 0.360 7 0 "[ . 1]"
2 29 ARG 7.108 0.405 3 0 "[ . 1]"
2 30 GLN 5.515 0.350 7 0 "[ . 1]"
2 31 GLU 11.758 0.380 7 0 "[ . 1]"
2 32 MET 10.334 0.360 7 0 "[ . 1]"
2 33 SER 14.265 0.431 3 0 "[ . 1]"
2 34 LYS 11.090 0.355 9 0 "[ . 1]"
2 35 ASP 8.702 0.358 2 0 "[ . 1]"
2 36 LEU 10.038 0.354 8 0 "[ . 1]"
2 37 GLU 13.657 0.431 3 0 "[ . 1]"
2 38 GLU 9.385 0.355 9 0 "[ . 1]"
2 39 VAL 8.167 0.368 7 0 "[ . 1]"
2 40 LYS 17.334 0.678 5 10 [****+-****]
2 41 ALA 6.499 0.398 9 0 "[ . 1]"
2 42 LYS 4.493 0.254 9 0 "[ . 1]"
2 43 VAL 12.590 0.508 4 2 "[ +- 1]"
2 44 GLN 35.221 1.231 2 10 [*+***-****]
2 45 PRO 7.503 0.502 5 1 "[ + 1]"
2 46 TYR 10.896 0.599 8 7 "[* * .*-+**]"
2 47 LEU 13.641 0.508 4 2 "[ +- 1]"
2 48 ASP 26.944 1.231 2 10 [*+*****-**]
2 49 ASP 11.754 0.502 5 1 "[ + 1]"
2 50 PHE 21.427 0.610 1 10 [+**-******]
2 51 GLN 14.651 0.512 9 1 "[ . +1]"
2 52 LYS 16.483 0.693 5 10 [****+**-**]
2 53 LYS 7.646 0.415 4 0 "[ . 1]"
2 54 TRP 13.898 0.610 1 10 [+**-******]
2 55 GLN 18.879 0.625 5 10 [****+***-*]
2 56 GLU 18.211 0.693 5 10 [***-+*****]
2 57 GLU 6.456 0.413 8 0 "[ . 1]"
2 58 MET 14.913 0.720 7 10 [****-*+***]
2 59 GLU 18.254 0.625 5 10 [****+-****]
2 60 LEU 11.352 0.512 5 2 "[ -+ 1]"
2 61 TYR 7.744 0.410 7 0 "[ . 1]"
2 62 ARG 21.624 0.720 7 10 [**-***+***]
2 63 GLN 7.679 0.459 5 0 "[ . 1]"
2 64 LYS 5.303 0.422 3 0 "[ . 1]"
2 65 VAL 4.683 0.410 7 0 "[ . 1]"
2 66 GLU 9.394 0.520 2 3 "[ +- * 1]"
2 90 TYR 2.951 0.420 8 0 "[ . 1]"
2 91 SER 2.914 0.487 8 0 "[ . 1]"
2 92 ASP 3.107 0.330 9 0 "[ . 1]"
2 93 GLU 8.557 0.484 4 0 "[ . 1]"
2 94 LEU 9.893 0.593 5 4 "[ * -+ * 1]"
2 95 ARG 3.277 0.487 8 0 "[ . 1]"
2 96 GLN 5.075 0.330 9 0 "[ . 1]"
2 97 ARG 12.785 0.484 4 0 "[ . 1]"
2 98 LEU 12.624 0.593 5 5 "[ * -+ * *]"
2 99 ALA 9.980 0.596 10 5 "[ -** * +]"
2 100 ALA 2.808 0.278 7 0 "[ . 1]"
2 101 ARG 9.631 0.464 8 0 "[ . 1]"
2 102 LEU 14.987 0.546 4 7 "[ **+* **-]"
2 103 GLU 16.808 0.596 10 5 "[ *** - +]"
2 104 ALA 17.624 1.290 8 9 "[****** +-*]"
2 105 LEU 19.573 1.036 1 10 [+***-*****]
2 106 LYS 26.557 1.202 8 9 [*******+*1]
2 107 GLU 7.191 0.502 8 1 "[ . + 1]"
2 108 ASN 30.269 1.290 8 10 [*******+-*]
2 109 GLY 14.170 1.036 1 10 [+***-*****]
2 110 GLY 17.254 1.202 8 9 [******-+*1]
2 111 ALA 10.347 0.593 8 10 [*****-*+**]
2 112 ARG 14.022 1.031 5 7 "[ ***+-* *1]"
2 113 LEU 8.086 0.581 10 1 "[ . +]"
2 114 ALA 10.127 0.611 10 9 "[ *******-+]"
2 115 GLU 19.891 0.593 8 10 [*****-*+**]
2 116 TYR 0.894 0.118 5 0 "[ . 1]"
2 117 HIS 8.275 0.581 10 1 "[ . +]"
2 118 ALA 20.532 0.611 10 10 [********-+]
2 119 LYS 14.526 0.548 4 6 "[ **+*-* 1]"
2 120 ALA 8.235 0.453 4 0 "[ . 1]"
2 121 THR 8.353 0.475 10 0 "[ . 1]"
2 122 GLU 20.621 0.562 10 10 [*-*******+]
2 123 HIS 15.441 0.568 2 10 [*+**-*****]
2 124 LEU 8.099 0.453 4 0 "[ . 1]"
2 125 SER 18.329 0.567 8 10 [*******+*-]
2 126 THR 10.216 0.562 10 10 [*-*******+]
2 127 LEU 10.459 0.568 2 10 [*+**-*****]
2 128 SER 0.221 0.048 10 0 "[ . 1]"
2 129 GLU 10.164 0.567 8 10 [*******+*-]
2 133 PRO 20.953 1.130 10 10 [*******-*+]
2 134 ALA 6.763 0.465 10 0 "[ . 1]"
2 135 LEU 2.321 0.335 6 0 "[ . 1]"
2 136 GLU 11.277 0.591 6 10 [-****+****]
2 137 ASP 27.425 1.130 10 10 [*******-*+]
2 138 LEU 17.229 0.588 10 9 "[***-*** *+]"
2 139 ARG 12.156 0.596 4 8 "[***+* * -*]"
2 140 GLN 25.365 1.437 6 10 [-****+****]
2 141 GLY 13.297 0.473 9 0 "[ . 1]"
2 142 LEU 10.547 0.588 10 9 "[***-*** *+]"
2 143 LEU 20.880 0.615 10 10 [********-+]
2 144 PRO 19.696 1.437 6 10 [*-***+****]
2 145 VAL 20.562 0.740 10 10 [*******-*+]
2 146 LEU 8.714 0.610 8 5 "[* * .*-+ 1]"
2 147 GLU 11.944 0.615 10 10 [*****-***+]
2 148 SER 16.326 0.599 10 10 [*****-***+]
2 149 PHE 25.112 0.740 10 10 [*****-***+]
2 150 LYS 12.331 0.610 8 5 "[* * .*-+ 1]"
2 151 VAL 0.898 0.164 8 0 "[ . 1]"
2 152 SER 21.772 0.637 10 10 [*****-***+]
2 153 PHE 21.411 0.629 7 10 [*****-+***]
2 154 LEU 9.728 0.470 6 0 "[ . 1]"
2 156 ALA 16.524 0.637 10 10 [******-**+]
2 157 LEU 19.020 0.558 10 10 [*****-***+]
2 158 GLU 11.985 0.470 6 0 "[ . 1]"
2 159 GLU 5.764 0.354 4 0 "[ . 1]"
2 160 TYR 11.034 0.563 7 2 "[ . + *]"
2 161 THR 11.847 0.527 10 3 "[ . * *+]"
2 162 LYS 5.956 0.463 4 0 "[ . 1]"
2 163 LYS 91.450 6.185 9 10 [-*******+*]
2 164 LEU 5.564 0.371 7 0 "[ . 1]"
2 165 ASN 2.864 0.358 10 0 "[ . 1]"
2 167 GLN 85.686 6.185 9 10 [-*******+*]
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 4 SER O 1 8 GLU H . . 1.800 2.064 2.034 2.125 0.325 9 0 "[ . 1]" 3
2 1 4 SER O 1 8 GLU N . . 2.700 2.999 2.932 3.019 0.319 9 0 "[ . 1]" 3
3 1 5 LYS O 1 9 GLN H . . 1.800 1.941 1.814 2.041 0.241 9 0 "[ . 1]" 3
4 1 5 LYS O 1 9 GLN N . . 2.700 2.844 2.734 2.974 0.274 9 0 "[ . 1]" 3
5 1 13 VAL O 1 17 PHE H . . 1.800 2.070 1.921 2.164 0.364 10 0 "[ . 1]" 3
6 1 13 VAL O 1 17 PHE N . . 2.700 2.941 2.826 3.106 0.406 8 0 "[ . 1]" 3
7 1 14 THR O 1 18 TRP H . . 1.800 2.080 1.896 2.202 0.402 1 0 "[ . 1]" 3
8 1 14 THR O 1 18 TRP N . . 2.700 3.048 2.874 3.171 0.471 1 0 "[ . 1]" 3
9 1 15 GLN O 1 19 ASP H . . 1.800 2.081 2.022 2.175 0.375 4 0 "[ . 1]" 3
10 1 15 GLN O 1 19 ASP N . . 2.700 2.947 2.796 3.043 0.343 4 0 "[ . 1]" 3
11 1 16 GLU O 1 20 ASN H . . 1.800 1.828 1.758 2.073 0.273 8 0 "[ . 1]" 3
12 1 16 GLU O 1 20 ASN N . . 2.700 2.765 2.684 3.035 0.335 8 0 "[ . 1]" 3
13 1 17 PHE O 1 21 LEU H . . 1.800 1.991 1.815 2.095 0.295 10 0 "[ . 1]" 3
14 1 17 PHE O 1 21 LEU N . . 2.700 2.902 2.726 3.033 0.333 10 0 "[ . 1]" 3
15 1 18 TRP O 1 22 GLU H . . 1.800 1.939 1.776 2.030 0.230 6 0 "[ . 1]" 3
16 1 18 TRP O 1 22 GLU N . . 2.700 2.879 2.746 2.975 0.275 9 0 "[ . 1]" 3
17 1 19 ASP O 1 23 LYS H . . 1.800 2.012 1.855 2.130 0.330 5 0 "[ . 1]" 3
18 1 19 ASP O 1 23 LYS N . . 2.700 2.868 2.718 3.014 0.314 4 0 "[ . 1]" 3
19 1 20 ASN O 1 24 GLU H . . 1.800 2.194 2.141 2.278 0.478 5 0 "[ . 1]" 3
20 1 20 ASN O 1 24 GLU N . . 2.700 3.126 2.938 3.187 0.487 5 0 "[ . 1]" 3
21 1 27 GLY O 1 31 GLU H . . 1.800 2.064 1.901 2.117 0.317 7 0 "[ . 1]" 3
22 1 27 GLY O 1 31 GLU N . . 2.700 3.028 2.877 3.081 0.381 7 0 "[ . 1]" 3
23 1 28 LEU O 1 32 MET H . . 1.800 2.028 1.921 2.095 0.295 7 0 "[ . 1]" 3
24 1 28 LEU O 1 32 MET N . . 2.700 2.971 2.713 3.057 0.357 7 0 "[ . 1]" 3
25 1 29 ARG O 1 33 SER H . . 1.800 2.142 2.068 2.180 0.380 3 0 "[ . 1]" 3
26 1 29 ARG O 1 33 SER N . . 2.700 3.070 3.036 3.107 0.407 3 0 "[ . 1]" 3
27 1 30 GLN O 1 34 LYS H . . 1.800 2.044 1.847 2.087 0.287 7 0 "[ . 1]" 3
28 1 30 GLN O 1 34 LYS N . . 2.700 3.005 2.766 3.051 0.351 7 0 "[ . 1]" 3
29 1 31 GLU O 1 35 ASP H . . 1.800 2.065 2.040 2.091 0.291 2 0 "[ . 1]" 3
30 1 31 GLU O 1 35 ASP N . . 2.700 3.013 2.913 3.052 0.352 2 0 "[ . 1]" 3
31 1 32 MET O 1 36 LEU H . . 1.800 2.040 1.945 2.090 0.290 8 0 "[ . 1]" 3
32 1 32 MET O 1 36 LEU N . . 2.700 2.994 2.901 3.057 0.357 8 0 "[ . 1]" 3
33 1 33 SER O 1 37 GLU H . . 1.800 2.131 2.038 2.167 0.367 9 0 "[ . 1]" 3
34 1 33 SER O 1 37 GLU N . . 2.700 3.096 2.956 3.136 0.436 3 0 "[ . 1]" 3
35 1 34 LYS O 1 38 GLU H . . 1.800 2.049 1.851 2.092 0.292 9 0 "[ . 1]" 3
36 1 34 LYS O 1 38 GLU N . . 2.700 3.005 2.745 3.058 0.358 9 0 "[ . 1]" 3
37 1 35 ASP O 1 39 VAL H . . 1.800 1.948 1.787 2.025 0.225 2 0 "[ . 1]" 3
38 1 35 ASP O 1 39 VAL N . . 2.700 2.833 2.701 2.916 0.216 2 0 "[ . 1]" 3
39 1 36 LEU O 1 40 LYS H . . 1.800 2.080 2.004 2.143 0.343 7 0 "[ . 1]" 3
40 1 36 LEU O 1 40 LYS N . . 2.700 2.918 2.865 2.981 0.281 7 0 "[ . 1]" 3
41 1 37 GLU O 1 41 ALA H . . 1.800 2.097 2.050 2.138 0.338 9 0 "[ . 1]" 3
42 1 37 GLU O 1 41 ALA N . . 2.700 3.074 3.028 3.115 0.415 9 0 "[ . 1]" 3
43 1 38 GLU O 1 42 LYS H . . 1.800 1.989 1.792 2.041 0.241 9 0 "[ . 1]" 3
44 1 38 GLU O 1 42 LYS N . . 2.700 2.845 2.712 2.911 0.211 9 0 "[ . 1]" 3
45 1 39 VAL O 1 43 VAL H . . 1.800 2.141 2.091 2.180 0.380 7 0 "[ . 1]" 3
46 1 39 VAL O 1 43 VAL N . . 2.700 2.923 2.867 2.953 0.253 7 0 "[ . 1]" 3
47 1 40 LYS O 1 44 GLN H . . 1.800 2.388 2.364 2.411 0.611 7 10 [*-****+***] 3
48 1 40 LYS O 1 44 GLN N . . 2.700 3.320 3.303 3.340 0.640 7 10 [*-****+***] 3
49 1 42 LYS O 1 46 TYR H . . 1.800 1.945 1.825 1.995 0.195 2 0 "[ . 1]" 3
50 1 42 LYS O 1 46 TYR N . . 2.700 2.800 2.649 2.837 0.137 10 0 "[ . 1]" 3
51 1 43 VAL O 1 47 LEU H . . 1.800 2.161 2.096 2.213 0.413 7 0 "[ . 1]" 3
52 1 43 VAL O 1 47 LEU N . . 2.700 2.986 2.890 3.114 0.414 5 0 "[ . 1]" 3
53 1 44 GLN O 1 48 ASP H . . 1.800 2.975 2.679 3.067 1.267 2 10 [*+*****-**] 3
54 1 44 GLN O 1 48 ASP N . . 2.700 3.880 3.652 3.982 1.282 7 10 [******+-**] 3
55 1 45 PRO O 1 49 ASP H . . 1.800 2.091 1.821 2.242 0.442 5 0 "[ . 1]" 3
56 1 45 PRO O 1 49 ASP N . . 2.700 3.002 2.700 3.121 0.421 5 0 "[ . 1]" 3
57 1 46 TYR O 1 50 PHE H . . 1.800 2.165 2.065 2.244 0.444 8 0 "[ . 1]" 3
58 1 46 TYR O 1 50 PHE N . . 2.700 3.107 3.016 3.168 0.468 8 0 "[ . 1]" 3
59 1 47 LEU O 1 51 GLN H . . 1.800 2.183 2.059 2.245 0.445 9 0 "[ . 1]" 3
60 1 47 LEU O 1 51 GLN N . . 2.700 3.157 3.029 3.224 0.524 9 4 "[- . * +*]" 3
61 1 48 ASP O 1 52 LYS H . . 1.800 1.951 1.829 2.145 0.345 5 0 "[ . 1]" 3
62 1 48 ASP O 1 52 LYS N . . 2.700 2.867 2.733 3.053 0.353 2 0 "[ . 1]" 3
63 1 49 ASP O 1 53 LYS H . . 1.800 2.084 2.042 2.143 0.343 4 0 "[ . 1]" 3
64 1 49 ASP O 1 53 LYS N . . 2.700 2.789 2.717 2.891 0.191 4 0 "[ . 1]" 3
65 1 50 PHE O 1 54 TRP H . . 1.800 2.334 2.259 2.374 0.574 6 7 "[* * .+**-*]" 3
66 1 50 PHE O 1 54 TRP N . . 2.700 3.257 3.175 3.310 0.610 7 8 "[* * -*+***]" 3
67 1 51 GLN O 1 55 GLN H . . 1.800 2.257 2.123 2.312 0.512 9 1 "[ . +1]" 3
68 1 51 GLN O 1 55 GLN N . . 2.700 3.100 2.945 3.189 0.489 9 0 "[ . 1]" 3
69 1 52 LYS O 1 56 GLU H . . 1.800 2.379 2.350 2.450 0.650 5 10 [****+**-**] 3
70 1 52 LYS O 1 56 GLU N . . 2.700 3.354 3.329 3.423 0.723 5 10 [****+**-**] 3
71 1 53 LYS O 1 57 GLU H . . 1.800 2.035 1.806 2.238 0.438 8 0 "[ . 1]" 3
72 1 53 LYS O 1 57 GLU N . . 2.700 2.911 2.707 3.088 0.388 8 0 "[ . 1]" 3
73 1 54 TRP O 1 58 MET H . . 1.800 2.033 1.931 2.118 0.318 4 0 "[ . 1]" 3
74 1 54 TRP O 1 58 MET N . . 2.700 2.785 2.738 2.857 0.157 9 0 "[ . 1]" 3
75 1 55 GLN O 1 59 GLU H . . 1.800 2.298 2.244 2.375 0.575 2 3 "[ + -* 1]" 3
76 1 55 GLN O 1 59 GLU N . . 2.700 3.269 3.222 3.332 0.632 2 10 [*+******-*] 3
77 1 56 GLU O 1 60 LEU H . . 1.800 2.114 1.991 2.307 0.507 5 1 "[ + 1]" 3
78 1 56 GLU O 1 60 LEU N . . 2.700 2.992 2.857 3.237 0.537 5 2 "[ -+ 1]" 3
79 1 57 GLU O 1 61 TYR H . . 1.800 2.054 1.950 2.167 0.367 8 0 "[ . 1]" 3
80 1 57 GLU O 1 61 TYR N . . 2.700 2.740 2.636 2.845 0.145 8 0 "[ . 1]" 3
81 1 58 MET O 1 62 ARG H . . 1.800 2.381 2.290 2.442 0.642 7 9 "[*** -*+***]" 3
82 1 58 MET O 1 62 ARG N . . 2.700 3.346 3.255 3.404 0.704 7 10 [***-**+***] 3
83 1 59 GLU O 1 63 GLN H . . 1.800 2.210 2.157 2.263 0.463 2 0 "[ . 1]" 3
84 1 59 GLU O 1 63 GLN N . . 2.700 3.074 3.018 3.167 0.467 5 0 "[ . 1]" 3
85 1 60 LEU O 1 64 LYS H . . 1.800 2.162 2.081 2.233 0.433 3 0 "[ . 1]" 3
86 1 60 LEU O 1 64 LYS N . . 2.700 2.845 2.786 2.926 0.226 3 0 "[ . 1]" 3
87 1 61 TYR O 1 65 VAL H . . 1.800 2.073 1.950 2.208 0.408 1 0 "[ . 1]" 3
88 1 61 TYR O 1 65 VAL N . . 2.700 2.990 2.815 3.143 0.443 7 0 "[ . 1]" 3
89 1 62 ARG O 1 66 GLU H . . 1.800 2.298 2.247 2.325 0.525 2 6 "[*+* -** 1]" 3
90 1 62 ARG O 1 66 GLU N . . 2.700 3.168 3.110 3.203 0.503 1 1 "[+ . 1]" 3
91 1 90 TYR O 1 94 LEU H . . 1.700 1.832 1.771 2.077 0.377 8 0 "[ . 1]" 3
92 1 90 TYR O 1 94 LEU N . . 2.600 2.785 2.713 3.033 0.433 8 0 "[ . 1]" 3
93 1 91 SER O 1 95 ARG H . . 1.800 1.931 1.782 2.211 0.411 8 0 "[ . 1]" 3
94 1 91 SER O 1 95 ARG N . . 2.700 2.867 2.701 3.189 0.489 8 0 "[ . 1]" 3
95 1 92 ASP O 1 96 GLN H . . 1.900 2.068 1.841 2.233 0.333 9 0 "[ . 1]" 3
96 1 92 ASP O 1 96 GLN N . . 2.800 2.909 2.711 3.062 0.262 10 0 "[ . 1]" 3
97 1 93 GLU O 1 97 ARG H . . 1.800 2.229 2.130 2.291 0.491 4 0 "[ . 1]" 3
98 1 93 GLU O 1 97 ARG N . . 2.700 3.134 3.061 3.182 0.482 8 0 "[ . 1]" 3
99 1 94 LEU O 1 98 LEU H . . 1.700 2.003 1.793 2.218 0.518 5 2 "[ - + 1]" 3
100 1 94 LEU O 1 98 LEU N . . 2.600 2.965 2.751 3.191 0.591 5 3 "[ * + - 1]" 3
101 1 95 ARG O 1 99 ALA H . . 1.800 1.800 1.780 1.826 0.026 3 0 "[ . 1]" 3
102 1 95 ARG O 1 99 ALA N . . 2.700 2.720 2.689 2.746 0.046 3 0 "[ . 1]" 3
103 1 96 GLN O 1 100 ALA H . . 2.100 2.214 2.113 2.250 0.150 9 0 "[ . 1]" 3
104 1 96 GLN O 1 100 ALA N . . 3.000 3.071 2.987 3.185 0.185 8 0 "[ . 1]" 3
105 1 97 ARG O 1 101 ARG H . . 1.800 2.028 1.815 2.214 0.414 1 0 "[ . 1]" 3
106 1 97 ARG O 1 101 ARG N . . 2.700 2.878 2.737 3.065 0.365 8 0 "[ . 1]" 3
107 1 98 LEU O 1 102 LEU H . . 1.700 1.970 1.844 2.202 0.502 10 1 "[ . +]" 3
108 1 98 LEU O 1 102 LEU N . . 2.600 2.876 2.728 3.084 0.484 1 0 "[ . 1]" 3
109 1 99 ALA O 1 103 GLU H . . 1.800 2.253 2.206 2.324 0.524 10 2 "[ . - +]" 3
110 1 99 ALA O 1 103 GLU N . . 2.700 3.204 3.115 3.290 0.590 10 5 "[ *-* * +]" 3
111 1 100 ALA O 1 104 ALA H . . 1.900 1.893 1.796 2.175 0.275 7 0 "[ . 1]" 3
112 1 100 ALA O 1 104 ALA N . . 2.800 2.781 2.712 2.960 0.160 7 0 "[ . 1]" 3
113 1 101 ARG O 1 105 LEU H . . 1.800 2.081 1.846 2.242 0.442 8 0 "[ . 1]" 3
114 1 101 ARG O 1 105 LEU N . . 2.700 2.974 2.763 3.169 0.469 8 0 "[ . 1]" 3
115 1 102 LEU O 1 106 LYS H . . 1.700 2.191 1.950 2.262 0.562 4 7 "[-**+* **1]" 3
116 1 102 LEU O 1 106 LYS N . . 2.600 3.079 2.808 3.168 0.568 3 6 "[- +** **1]" 3
117 1 103 GLU O 1 107 GLU H . . 1.800 2.246 2.133 2.333 0.533 8 1 "[ . + 1]" 3
118 1 103 GLU O 1 107 GLU N . . 2.700 3.049 2.923 3.144 0.444 8 0 "[ . 1]" 3
119 1 104 ALA O 1 108 ASN H . . 1.800 2.646 2.251 3.087 1.287 8 9 "[****** +-*]" 3
120 1 104 ALA O 1 108 ASN N . . 2.700 3.571 3.212 3.998 1.298 8 10 [******-+**] 3
121 1 105 LEU O 1 109 GLY H . . 1.800 2.521 2.340 2.810 1.010 1 10 [+*****-***] 3
122 1 105 LEU O 1 109 GLY N . . 2.700 3.343 3.105 3.642 0.942 1 8 "[+**-.* ***]" 3
123 1 106 LYS O 1 110 GLY H . . 1.800 2.723 1.918 3.002 1.202 8 9 [******-+*1] 3
124 1 106 LYS O 1 110 GLY N . . 2.700 3.489 2.750 3.755 1.055 2 9 [*+****-**1] 3
125 1 108 ASN O 1 112 ARG H . . 1.800 2.507 1.860 2.832 1.032 5 7 "[ ***+*- *1]" 3
126 1 108 ASN O 1 112 ARG N . . 2.700 3.341 2.701 3.648 0.948 5 7 "[ ***+*- *1]" 3
127 1 111 ALA O 1 115 GLU H . . 1.800 2.284 2.253 2.322 0.522 8 3 "[ .- + *]" 3
128 1 111 ALA O 1 115 GLU N . . 2.700 3.252 3.217 3.290 0.590 8 10 [-******+**] 3
129 1 112 ARG O 1 116 TYR H . . 1.800 1.814 1.783 1.865 0.065 5 0 "[ . 1]" 3
130 1 112 ARG O 1 116 TYR N . . 2.700 2.732 2.647 2.815 0.115 5 0 "[ . 1]" 3
131 1 113 LEU O 1 117 HIS H . . 1.800 2.208 2.159 2.344 0.544 10 1 "[ . +]" 3
132 1 113 LEU O 1 117 HIS N . . 2.700 3.106 3.040 3.279 0.579 10 1 "[ . +]" 3
133 1 114 ALA O 1 118 ALA H . . 1.800 2.278 2.237 2.348 0.548 10 1 "[ . +]" 3
134 1 114 ALA O 1 118 ALA N . . 2.700 3.235 3.198 3.310 0.610 10 9 "[ *******-+]" 3
135 1 115 GLU O 1 119 LYS H . . 1.800 2.313 2.254 2.347 0.547 4 6 "[ **+*-* 1]" 3
136 1 115 GLU O 1 119 LYS N . . 2.700 3.139 3.053 3.184 0.484 5 0 "[ . 1]" 3
137 1 116 TYR O 1 120 ALA H . . 1.800 1.765 1.743 1.788 . 0 0 "[ . 1]" 3
138 1 116 TYR O 1 120 ALA N . . 2.700 2.736 2.720 2.742 0.042 4 0 "[ . 1]" 3
139 1 117 HIS O 1 121 THR H . . 1.800 1.797 1.762 1.856 0.056 10 0 "[ . 1]" 3
140 1 117 HIS O 1 121 THR N . . 2.700 2.715 2.697 2.773 0.073 10 0 "[ . 1]" 3
141 1 118 ALA O 1 122 GLU H . . 1.800 2.312 2.277 2.332 0.532 4 9 "[***+**** -]" 3
142 1 118 ALA O 1 122 GLU N . . 2.700 3.228 3.149 3.256 0.556 4 9 "[***+***- *]" 3
143 1 119 LYS O 1 123 HIS H . . 1.800 2.054 1.903 2.136 0.336 10 0 "[ . 1]" 3
144 1 119 LYS O 1 123 HIS N . . 2.700 2.942 2.744 3.046 0.346 10 0 "[ . 1]" 3
145 1 120 ALA O 1 124 LEU H . . 1.800 2.184 1.977 2.248 0.448 9 0 "[ . 1]" 3
146 1 120 ALA O 1 124 LEU N . . 2.700 3.113 2.957 3.155 0.455 4 0 "[ . 1]" 3
147 1 121 THR O 1 125 SER H . . 1.800 2.243 2.079 2.272 0.472 2 0 "[ . 1]" 3
148 1 121 THR O 1 125 SER N . . 2.700 3.073 2.867 3.135 0.435 10 0 "[ . 1]" 3
149 1 122 GLU O 1 126 THR H . . 1.800 2.284 2.244 2.305 0.505 10 2 "[ - . +]" 3
150 1 122 GLU O 1 126 THR N . . 2.700 3.237 3.203 3.262 0.562 10 10 [*******-*+] 3
151 1 123 HIS O 1 127 LEU H . . 1.800 2.291 2.261 2.306 0.506 2 4 "[ + ** -]" 3
152 1 123 HIS O 1 127 LEU N . . 2.700 3.253 3.223 3.266 0.566 2 10 [*+*****-**] 3
153 1 124 LEU O 1 128 SER H . . 1.800 1.790 1.777 1.803 0.003 10 0 "[ . 1]" 3
154 1 124 LEU O 1 128 SER N . . 2.700 2.723 2.705 2.749 0.049 10 0 "[ . 1]" 3
155 1 125 SER O 1 129 GLU H . . 1.800 2.350 2.320 2.369 0.569 8 10 [*******+*-] 3
156 1 125 SER O 1 129 GLU N . . 2.700 3.171 3.130 3.185 0.485 6 0 "[ . 1]" 3
157 1 133 PRO O 1 137 ASP H . . 1.800 2.811 2.680 2.873 1.073 10 10 [*******-*+] 3
158 1 133 PRO O 1 137 ASP N . . 2.700 3.769 3.647 3.821 1.121 10 10 [*******-*+] 3
159 1 134 ALA O 1 138 LEU H . . 1.800 2.174 2.063 2.262 0.462 10 0 "[ . 1]" 3
160 1 134 ALA O 1 138 LEU N . . 2.700 2.997 2.845 3.144 0.444 10 0 "[ . 1]" 3
161 1 135 LEU O 1 139 ARG H . . 1.800 1.879 1.791 2.081 0.281 6 0 "[ . 1]" 3
162 1 135 LEU O 1 139 ARG N . . 2.700 2.851 2.766 3.034 0.334 6 0 "[ . 1]" 3
163 1 136 GLU O 1 140 GLN H . . 1.800 2.370 2.353 2.389 0.589 10 10 [*****-***+] 3
164 1 136 GLU O 1 140 GLN N . . 2.700 3.259 3.228 3.290 0.590 6 10 [-****+****] 3
165 1 137 ASP O 1 141 GLY H . . 1.800 2.119 1.981 2.230 0.430 10 0 "[ . 1]" 3
166 1 137 ASP O 1 141 GLY N . . 2.700 3.030 2.728 3.174 0.474 9 0 "[ . 1]" 3
167 1 138 LEU O 1 142 LEU H . . 1.800 2.344 2.171 2.387 0.587 10 8 "[***** * -+]" 3
168 1 138 LEU O 1 142 LEU N . . 2.700 3.203 3.139 3.231 0.531 10 8 "[***-.** *+]" 3
169 1 139 ARG O 1 143 LEU H . . 1.800 2.324 2.254 2.389 0.589 4 8 "[***+- * **]" 3
170 1 139 ARG O 1 143 LEU N . . 2.700 3.157 3.090 3.214 0.514 4 1 "[ +. 1]" 3
171 1 140 GLN O 1 144 PRO N . . 2.700 4.110 4.099 4.137 1.437 6 10 [*-***+****] 3
172 1 141 GLY O 1 145 VAL H . . 1.800 2.123 2.001 2.210 0.410 2 0 "[ . 1]" 3
173 1 141 GLY O 1 145 VAL N . . 2.700 3.060 2.941 3.155 0.455 6 0 "[ . 1]" 3
174 1 142 LEU O 1 146 LEU H . . 1.800 1.764 1.752 1.782 . 0 0 "[ . 1]" 3
175 1 142 LEU O 1 146 LEU N . . 2.700 2.701 2.677 2.723 0.023 2 0 "[ . 1]" 3
176 1 143 LEU O 1 147 GLU H . . 1.800 2.388 2.359 2.415 0.615 10 10 [**-******+] 3
177 1 143 LEU O 1 147 GLU N . . 2.700 3.217 3.169 3.271 0.571 10 7 "[ * **-* *+]" 3
178 1 144 PRO O 1 148 SER H . . 1.800 2.108 2.027 2.203 0.403 4 0 "[ . 1]" 3
179 1 144 PRO O 1 148 SER N . . 2.700 2.951 2.881 3.042 0.342 4 0 "[ . 1]" 3
180 1 145 VAL O 1 149 PHE H . . 1.800 2.467 2.371 2.513 0.713 10 10 [*******-*+] 3
181 1 145 VAL O 1 149 PHE N . . 2.700 3.407 3.322 3.441 0.741 10 10 [*******-*+] 3
182 1 146 LEU O 1 150 LYS H . . 1.700 2.115 1.950 2.268 0.568 8 5 "[* * .*-+ 1]" 3
183 1 146 LEU O 1 150 LYS N . . 2.600 3.049 2.884 3.210 0.610 8 5 "[* * .-*+ 1]" 3
184 1 147 GLU O 1 151 VAL H . . 1.800 1.822 1.778 1.956 0.156 8 0 "[ . 1]" 3
185 1 147 GLU O 1 151 VAL N . . 2.700 2.759 2.719 2.861 0.161 8 0 "[ . 1]" 3
186 1 150 LYS O 1 154 LEU H . . 1.800 1.977 1.835 2.120 0.320 9 0 "[ . 1]" 3
187 1 150 LYS O 1 154 LEU N . . 2.700 2.895 2.723 3.030 0.330 9 0 "[ . 1]" 3
188 1 152 SER O 1 156 ALA H . . 1.800 2.390 2.348 2.438 0.638 10 10 [-********+] 3
189 1 152 SER O 1 156 ALA N . . 2.700 3.215 3.169 3.261 0.561 10 7 "[ *-****+]" 3
190 1 153 PHE O 1 157 LEU H . . 1.800 2.270 2.248 2.292 0.492 10 0 "[ . 1]" 3
191 1 153 PHE O 1 157 LEU N . . 2.700 3.233 3.199 3.257 0.557 7 9 "[***** +-**]" 3
192 1 156 ALA O 1 160 TYR H . . 1.800 2.045 1.852 2.310 0.510 7 1 "[ . + 1]" 3
193 1 156 ALA O 1 160 TYR N . . 2.700 3.003 2.804 3.264 0.564 7 2 "[ . + -]" 3
194 1 157 LEU O 1 161 THR H . . 1.800 2.247 2.209 2.305 0.505 10 1 "[ . +]" 3
195 1 157 LEU O 1 161 THR N . . 2.700 3.152 3.079 3.227 0.527 7 3 "[ . + -*]" 3
196 1 158 GLU O 1 162 LYS H . . 1.800 2.088 1.841 2.230 0.430 4 0 "[ . 1]" 3
197 1 158 GLU O 1 162 LYS N . . 2.700 3.008 2.748 3.162 0.462 4 0 "[ . 1]" 3
198 1 160 TYR O 1 164 LEU H . . 1.800 2.074 2.038 2.127 0.327 7 0 "[ . 1]" 3
199 1 160 TYR O 1 164 LEU N . . 2.700 2.983 2.870 3.072 0.372 7 0 "[ . 1]" 3
200 1 161 THR O 1 165 ASN H . . 1.800 1.961 1.832 2.155 0.355 10 0 "[ . 1]" 3
201 1 161 THR O 1 165 ASN N . . 2.700 2.825 2.707 2.992 0.292 10 0 "[ . 1]" 3
202 1 163 LYS O 1 167 GLN H . . 1.800 6.427 5.209 7.991 6.191 9 10 [****-***+*] 3
203 1 163 LYS O 1 167 GLN N . . 2.700 6.645 5.662 8.469 5.769 10 10 [-********+] 3
204 2 4 SER O 2 8 GLU H . . 1.800 2.065 2.038 2.124 0.324 9 0 "[ . 1]" 3
205 2 4 SER O 2 8 GLU N . . 2.700 3.001 2.933 3.017 0.317 5 0 "[ . 1]" 3
206 2 5 LYS O 2 9 GLN H . . 1.800 1.941 1.815 2.038 0.238 9 0 "[ . 1]" 3
207 2 5 LYS O 2 9 GLN N . . 2.700 2.844 2.735 2.973 0.273 9 0 "[ . 1]" 3
208 2 13 VAL O 2 17 PHE H . . 1.800 2.070 1.921 2.161 0.361 10 0 "[ . 1]" 3
209 2 13 VAL O 2 17 PHE N . . 2.700 2.941 2.826 3.105 0.405 8 0 "[ . 1]" 3
210 2 14 THR O 2 18 TRP H . . 1.800 2.084 1.896 2.218 0.418 10 0 "[ . 1]" 3
211 2 14 THR O 2 18 TRP N . . 2.700 3.053 2.874 3.183 0.483 10 0 "[ . 1]" 3
212 2 15 GLN O 2 19 ASP H . . 1.800 2.084 2.023 2.175 0.375 4 0 "[ . 1]" 3
213 2 15 GLN O 2 19 ASP N . . 2.700 2.946 2.796 3.043 0.343 4 0 "[ . 1]" 3
214 2 16 GLU O 2 20 ASN H . . 1.800 1.823 1.750 2.073 0.273 8 0 "[ . 1]" 3
215 2 16 GLU O 2 20 ASN N . . 2.700 2.764 2.683 3.035 0.335 8 0 "[ . 1]" 3
216 2 17 PHE O 2 21 LEU H . . 1.800 1.991 1.817 2.093 0.293 10 0 "[ . 1]" 3
217 2 17 PHE O 2 21 LEU N . . 2.700 2.903 2.727 3.036 0.336 10 0 "[ . 1]" 3
218 2 18 TRP O 2 22 GLU H . . 1.800 1.951 1.777 2.029 0.229 6 0 "[ . 1]" 3
219 2 18 TRP O 2 22 GLU N . . 2.700 2.891 2.747 2.975 0.275 9 0 "[ . 1]" 3
220 2 19 ASP O 2 23 LYS H . . 1.800 2.012 1.853 2.130 0.330 5 0 "[ . 1]" 3
221 2 19 ASP O 2 23 LYS N . . 2.700 2.868 2.716 3.015 0.315 4 0 "[ . 1]" 3
222 2 20 ASN O 2 24 GLU H . . 1.800 2.191 2.144 2.278 0.478 5 0 "[ . 1]" 3
223 2 20 ASN O 2 24 GLU N . . 2.700 3.124 2.941 3.187 0.487 5 0 "[ . 1]" 3
224 2 27 GLY O 2 31 GLU H . . 1.800 2.064 1.898 2.116 0.316 7 0 "[ . 1]" 3
225 2 27 GLY O 2 31 GLU N . . 2.700 3.029 2.873 3.080 0.380 7 0 "[ . 1]" 3
226 2 28 LEU O 2 32 MET H . . 1.800 2.030 1.926 2.098 0.298 7 0 "[ . 1]" 3
227 2 28 LEU O 2 32 MET N . . 2.700 2.973 2.717 3.060 0.360 7 0 "[ . 1]" 3
228 2 29 ARG O 2 33 SER H . . 1.800 2.142 2.069 2.181 0.381 3 0 "[ . 1]" 3
229 2 29 ARG O 2 33 SER N . . 2.700 3.069 3.037 3.105 0.405 3 0 "[ . 1]" 3
230 2 30 GLN O 2 34 LYS H . . 1.800 2.045 1.850 2.087 0.287 7 0 "[ . 1]" 3
231 2 30 GLN O 2 34 LYS N . . 2.700 3.006 2.770 3.050 0.350 7 0 "[ . 1]" 3
232 2 31 GLU O 2 35 ASP H . . 1.800 2.067 2.041 2.095 0.295 2 0 "[ . 1]" 3
233 2 31 GLU O 2 35 ASP N . . 2.700 3.016 2.913 3.058 0.358 2 0 "[ . 1]" 3
234 2 32 MET O 2 36 LEU H . . 1.800 2.037 1.938 2.086 0.286 8 0 "[ . 1]" 3
235 2 32 MET O 2 36 LEU N . . 2.700 2.993 2.896 3.054 0.354 8 0 "[ . 1]" 3
236 2 33 SER O 2 37 GLU H . . 1.800 2.126 2.039 2.161 0.361 3 0 "[ . 1]" 3
237 2 33 SER O 2 37 GLU N . . 2.700 3.090 2.953 3.131 0.431 3 0 "[ . 1]" 3
238 2 34 LYS O 2 38 GLU H . . 1.800 2.051 1.860 2.088 0.288 9 0 "[ . 1]" 3
239 2 34 LYS O 2 38 GLU N . . 2.700 3.007 2.756 3.055 0.355 9 0 "[ . 1]" 3
240 2 35 ASP O 2 39 VAL H . . 1.800 1.951 1.786 2.040 0.240 2 0 "[ . 1]" 3
241 2 35 ASP O 2 39 VAL N . . 2.700 2.833 2.688 2.919 0.219 2 0 "[ . 1]" 3
242 2 36 LEU O 2 40 LYS H . . 1.800 2.067 1.946 2.138 0.338 7 0 "[ . 1]" 3
243 2 36 LEU O 2 40 LYS N . . 2.700 2.907 2.819 2.977 0.277 7 0 "[ . 1]" 3
244 2 37 GLU O 2 41 ALA H . . 1.800 2.086 2.049 2.119 0.319 9 0 "[ . 1]" 3
245 2 37 GLU O 2 41 ALA N . . 2.700 3.063 3.027 3.098 0.398 9 0 "[ . 1]" 3
246 2 38 GLU O 2 42 LYS H . . 1.800 2.009 1.826 2.054 0.254 9 0 "[ . 1]" 3
247 2 38 GLU O 2 42 LYS N . . 2.700 2.872 2.725 2.934 0.234 9 0 "[ . 1]" 3
248 2 39 VAL O 2 43 VAL H . . 1.800 2.124 2.065 2.168 0.368 7 0 "[ . 1]" 3
249 2 39 VAL O 2 43 VAL N . . 2.700 2.906 2.844 2.935 0.235 7 0 "[ . 1]" 3
250 2 40 LYS O 2 44 GLN H . . 1.800 2.408 2.388 2.428 0.628 8 10 [*****-*+**] 3
251 2 40 LYS O 2 44 GLN N . . 2.700 3.352 3.333 3.378 0.678 5 10 [****+-****] 3
252 2 42 LYS O 2 46 TYR H . . 1.800 1.864 1.819 1.936 0.136 4 0 "[ . 1]" 3
253 2 42 LYS O 2 46 TYR N . . 2.700 2.695 2.624 2.721 0.021 2 0 "[ . 1]" 3
254 2 43 VAL O 2 47 LEU H . . 1.800 2.210 2.166 2.284 0.484 4 0 "[ . 1]" 3
255 2 43 VAL O 2 47 LEU N . . 2.700 3.019 2.900 3.208 0.508 4 2 "[ +- 1]" 3
256 2 44 GLN O 2 48 ASP H . . 1.800 2.923 2.643 3.031 1.231 2 10 [*+*****-**] 3
257 2 44 GLN O 2 48 ASP N . . 2.700 3.839 3.619 3.921 1.221 7 10 [******+-**] 3
258 2 45 PRO O 2 49 ASP H . . 1.800 2.171 2.026 2.302 0.502 5 1 "[ + 1]" 3
259 2 45 PRO O 2 49 ASP N . . 2.700 3.080 2.892 3.194 0.494 5 0 "[ . 1]" 3
260 2 46 TYR O 2 50 PHE H . . 1.800 2.292 2.189 2.383 0.583 8 7 "[* * .*-+**]" 3
261 2 46 TYR O 2 50 PHE N . . 2.700 3.229 3.151 3.299 0.599 8 7 "[* * .**+-*]" 3
262 2 47 LEU O 2 51 GLN H . . 1.800 2.080 1.873 2.180 0.380 9 0 "[ . 1]" 3
263 2 47 LEU O 2 51 GLN N . . 2.700 3.055 2.839 3.157 0.457 9 0 "[ . 1]" 3
264 2 48 ASP O 2 52 LYS H . . 1.800 2.011 1.859 2.199 0.399 5 0 "[ . 1]" 3
265 2 48 ASP O 2 52 LYS N . . 2.700 2.921 2.759 3.098 0.398 5 0 "[ . 1]" 3
266 2 49 ASP O 2 53 LYS H . . 1.800 2.114 2.051 2.215 0.415 4 0 "[ . 1]" 3
267 2 49 ASP O 2 53 LYS N . . 2.700 2.811 2.729 2.945 0.245 4 0 "[ . 1]" 3
268 2 50 PHE O 2 54 TRP H . . 1.800 2.347 2.278 2.387 0.587 1 7 "[+ * .**-**]" 3
269 2 50 PHE O 2 54 TRP N . . 2.700 3.274 3.201 3.310 0.610 1 10 [+**-******] 3
270 2 51 GLN O 2 55 GLN H . . 1.800 2.231 2.076 2.312 0.512 9 1 "[ . +1]" 3
271 2 51 GLN O 2 55 GLN N . . 2.700 3.100 2.924 3.208 0.508 9 1 "[ . +1]" 3
272 2 52 LYS O 2 56 GLU H . . 1.800 2.371 2.340 2.419 0.619 5 10 [****+**-**] 3
273 2 52 LYS O 2 56 GLU N . . 2.700 3.345 3.317 3.393 0.693 5 10 [****+**-**] 3
274 2 53 LYS O 2 57 GLU H . . 1.800 1.980 1.851 2.213 0.413 8 0 "[ . 1]" 3
275 2 53 LYS O 2 57 GLU N . . 2.700 2.859 2.737 3.062 0.362 8 0 "[ . 1]" 3
276 2 54 TRP O 2 58 MET H . . 1.800 2.010 1.911 2.126 0.326 2 0 "[ . 1]" 3
277 2 54 TRP O 2 58 MET N . . 2.700 2.759 2.704 2.814 0.114 2 0 "[ . 1]" 3
278 2 55 GLN O 2 59 GLU H . . 1.800 2.294 2.251 2.377 0.577 5 3 "[ * -+ 1]" 3
279 2 55 GLN O 2 59 GLU N . . 2.700 3.264 3.230 3.325 0.625 5 10 [****+-****] 3
280 2 56 GLU O 2 60 LEU H . . 1.800 2.114 2.011 2.286 0.486 5 0 "[ . 1]" 3
281 2 56 GLU O 2 60 LEU N . . 2.700 2.991 2.869 3.212 0.512 5 2 "[ -+ 1]" 3
282 2 57 GLU O 2 61 TYR H . . 1.800 2.053 1.944 2.121 0.321 8 0 "[ . 1]" 3
283 2 57 GLU O 2 61 TYR N . . 2.700 2.738 2.641 2.803 0.103 8 0 "[ . 1]" 3
284 2 58 MET O 2 62 ARG H . . 1.800 2.378 2.295 2.458 0.658 7 9 "[*** -*+***]" 3
285 2 58 MET O 2 62 ARG N . . 2.700 3.345 3.260 3.420 0.720 7 10 [***-**+***] 3
286 2 59 GLU O 2 63 GLN H . . 1.800 2.205 2.175 2.259 0.459 5 0 "[ . 1]" 3
287 2 59 GLU O 2 63 GLN N . . 2.700 3.062 3.016 3.159 0.459 5 0 "[ . 1]" 3
288 2 60 LEU O 2 64 LYS H . . 1.800 2.179 2.128 2.222 0.422 3 0 "[ . 1]" 3
289 2 60 LEU O 2 64 LYS N . . 2.700 2.851 2.805 2.899 0.199 3 0 "[ . 1]" 3
290 2 61 TYR O 2 65 VAL H . . 1.800 2.018 1.828 2.173 0.373 1 0 "[ . 1]" 3
291 2 61 TYR O 2 65 VAL N . . 2.700 2.951 2.735 3.110 0.410 7 0 "[ . 1]" 3
292 2 62 ARG O 2 66 GLU H . . 1.800 2.285 2.244 2.320 0.520 2 3 "[ +- * 1]" 3
293 2 62 ARG O 2 66 GLU N . . 2.700 3.155 3.108 3.187 0.487 2 0 "[ . 1]" 3
294 2 90 TYR O 2 94 LEU H . . 1.700 1.821 1.770 2.063 0.363 8 0 "[ . 1]" 3
295 2 90 TYR O 2 94 LEU N . . 2.600 2.774 2.712 3.020 0.420 8 0 "[ . 1]" 3
296 2 91 SER O 2 95 ARG H . . 1.800 1.926 1.786 2.209 0.409 8 0 "[ . 1]" 3
297 2 91 SER O 2 95 ARG N . . 2.700 2.862 2.710 3.187 0.487 8 0 "[ . 1]" 3
298 2 92 ASP O 2 96 GLN H . . 1.900 2.076 1.890 2.230 0.330 9 0 "[ . 1]" 3
299 2 92 ASP O 2 96 GLN N . . 2.800 2.910 2.717 3.060 0.260 1 0 "[ . 1]" 3
300 2 93 GLU O 2 97 ARG H . . 1.800 2.227 2.124 2.284 0.484 4 0 "[ . 1]" 3
301 2 93 GLU O 2 97 ARG N . . 2.700 3.129 3.061 3.181 0.481 1 0 "[ . 1]" 3
302 2 94 LEU O 2 98 LEU H . . 1.700 2.016 1.795 2.218 0.518 5 3 "[ * -+ 1]" 3
303 2 94 LEU O 2 98 LEU N . . 2.600 2.978 2.753 3.193 0.593 5 4 "[ * *+ - 1]" 3
304 2 95 ARG O 2 99 ALA H . . 1.800 1.804 1.781 1.846 0.046 10 0 "[ . 1]" 3
305 2 95 ARG O 2 99 ALA N . . 2.700 2.724 2.693 2.769 0.069 10 0 "[ . 1]" 3
306 2 96 GLN O 2 100 ALA H . . 2.100 2.221 2.171 2.278 0.178 10 0 "[ . 1]" 3
307 2 96 GLN O 2 100 ALA N . . 3.000 3.076 3.007 3.181 0.181 8 0 "[ . 1]" 3
308 2 97 ARG O 2 101 ARG H . . 1.800 2.036 1.816 2.230 0.430 10 0 "[ . 1]" 3
309 2 97 ARG O 2 101 ARG N . . 2.700 2.886 2.740 3.090 0.390 10 0 "[ . 1]" 3
310 2 98 LEU O 2 102 LEU H . . 1.700 1.982 1.850 2.210 0.510 10 1 "[ . +]" 3
311 2 98 LEU O 2 102 LEU N . . 2.600 2.887 2.738 3.088 0.488 1 0 "[ . 1]" 3
312 2 99 ALA O 2 103 GLU H . . 1.800 2.256 2.206 2.330 0.530 10 2 "[ . - +]" 3
313 2 99 ALA O 2 103 GLU N . . 2.700 3.206 3.107 3.296 0.596 10 5 "[ -** * +]" 3
314 2 100 ALA O 2 104 ALA H . . 1.900 1.896 1.798 2.178 0.278 7 0 "[ . 1]" 3
315 2 100 ALA O 2 104 ALA N . . 2.800 2.792 2.717 2.966 0.166 7 0 "[ . 1]" 3
316 2 101 ARG O 2 105 LEU H . . 1.800 2.073 1.875 2.249 0.449 8 0 "[ . 1]" 3
317 2 101 ARG O 2 105 LEU N . . 2.700 2.967 2.786 3.164 0.464 8 0 "[ . 1]" 3
318 2 102 LEU O 2 106 LYS H . . 1.700 2.175 1.933 2.246 0.546 4 6 "[ **+* -*1]" 3
319 2 102 LEU O 2 106 LYS N . . 2.600 3.055 2.792 3.145 0.545 3 3 "[ +-. *1]" 3
320 2 103 GLU O 2 107 GLU H . . 1.800 2.205 2.003 2.302 0.502 8 1 "[ . + 1]" 3
321 2 103 GLU O 2 107 GLU N . . 2.700 3.014 2.818 3.118 0.418 8 0 "[ . 1]" 3
322 2 104 ALA O 2 108 ASN H . . 1.800 2.624 2.232 3.076 1.276 8 9 "[****** +-*]" 3
323 2 104 ALA O 2 108 ASN N . . 2.700 3.554 3.197 3.990 1.290 8 9 "[****** +-*]" 3
324 2 105 LEU O 2 109 GLY H . . 1.800 2.552 2.340 2.836 1.036 1 10 [+*****-***] 3
325 2 105 LEU O 2 109 GLY N . . 2.700 3.365 3.101 3.662 0.962 1 9 "[+***-* ***]" 3
326 2 106 LYS O 2 110 GLY H . . 1.800 2.729 1.909 3.002 1.202 8 9 [******-+*1] 3
327 2 106 LYS O 2 110 GLY N . . 2.700 3.496 2.745 3.755 1.055 2 9 [*+****-**1] 3
328 2 108 ASN O 2 112 ARG H . . 1.800 2.507 1.859 2.831 1.031 5 7 "[ ***+*- *1]" 3
329 2 108 ASN O 2 112 ARG N . . 2.700 3.341 2.698 3.648 0.948 5 7 "[ ***+-* *1]" 3
330 2 111 ALA O 2 115 GLU H . . 1.800 2.284 2.253 2.325 0.525 8 3 "[ .- + *]" 3
331 2 111 ALA O 2 115 GLU N . . 2.700 3.251 3.218 3.293 0.593 8 10 [-******+**] 3
332 2 112 ARG O 2 116 TYR H . . 1.800 1.810 1.781 1.862 0.062 5 0 "[ . 1]" 3
333 2 112 ARG O 2 116 TYR N . . 2.700 2.729 2.645 2.818 0.118 5 0 "[ . 1]" 3
334 2 113 LEU O 2 117 HIS H . . 1.800 2.204 2.151 2.346 0.546 10 1 "[ . +]" 3
335 2 113 LEU O 2 117 HIS N . . 2.700 3.104 3.042 3.281 0.581 10 1 "[ . +]" 3
336 2 114 ALA O 2 118 ALA H . . 1.800 2.278 2.239 2.347 0.547 10 1 "[ . +]" 3
337 2 114 ALA O 2 118 ALA N . . 2.700 3.235 3.198 3.311 0.611 10 9 "[ *******-+]" 3
338 2 115 GLU O 2 119 LYS H . . 1.800 2.315 2.255 2.348 0.548 4 6 "[ **+*-* 1]" 3
339 2 115 GLU O 2 119 LYS N . . 2.700 3.140 3.053 3.181 0.481 5 0 "[ . 1]" 3
340 2 116 TYR O 2 120 ALA H . . 1.800 1.765 1.743 1.786 . 0 0 "[ . 1]" 3
341 2 116 TYR O 2 120 ALA N . . 2.700 2.736 2.721 2.742 0.042 10 0 "[ . 1]" 3
342 2 117 HIS O 2 121 THR H . . 1.800 1.794 1.762 1.848 0.048 10 0 "[ . 1]" 3
343 2 117 HIS O 2 121 THR N . . 2.700 2.713 2.696 2.766 0.066 10 0 "[ . 1]" 3
344 2 118 ALA O 2 122 GLU H . . 1.800 2.312 2.277 2.331 0.531 4 9 "[**-+**** *]" 3
345 2 118 ALA O 2 122 GLU N . . 2.700 3.228 3.149 3.254 0.554 4 9 "[***+***- *]" 3
346 2 119 LYS O 2 123 HIS H . . 1.800 2.055 1.906 2.139 0.339 10 0 "[ . 1]" 3
347 2 119 LYS O 2 123 HIS N . . 2.700 2.943 2.746 3.048 0.348 10 0 "[ . 1]" 3
348 2 120 ALA O 2 124 LEU H . . 1.800 2.180 1.974 2.247 0.447 9 0 "[ . 1]" 3
349 2 120 ALA O 2 124 LEU N . . 2.700 3.108 2.954 3.153 0.453 4 0 "[ . 1]" 3
350 2 121 THR O 2 125 SER H . . 1.800 2.243 2.080 2.275 0.475 10 0 "[ . 1]" 3
351 2 121 THR O 2 125 SER N . . 2.700 3.073 2.868 3.138 0.438 10 0 "[ . 1]" 3
352 2 122 GLU O 2 126 THR H . . 1.800 2.284 2.247 2.306 0.506 10 2 "[ - . +]" 3
353 2 122 GLU O 2 126 THR N . . 2.700 3.237 3.205 3.262 0.562 10 10 [*******-*+] 3
354 2 123 HIS O 2 127 LEU H . . 1.800 2.292 2.262 2.307 0.507 2 2 "[ + - 1]" 3
355 2 123 HIS O 2 127 LEU N . . 2.700 3.254 3.223 3.268 0.568 2 10 [*+*****-**] 3
356 2 124 LEU O 2 128 SER H . . 1.800 1.788 1.774 1.801 0.001 10 0 "[ . 1]" 3
357 2 124 LEU O 2 128 SER N . . 2.700 2.722 2.704 2.748 0.048 10 0 "[ . 1]" 3
358 2 125 SER O 2 129 GLU H . . 1.800 2.348 2.320 2.367 0.567 8 10 [*******+*-] 3
359 2 125 SER O 2 129 GLU N . . 2.700 3.169 3.128 3.185 0.485 6 0 "[ . 1]" 3
360 2 133 PRO O 2 137 ASP H . . 1.800 2.819 2.679 2.883 1.083 10 10 [*******-*+] 3
361 2 133 PRO O 2 137 ASP N . . 2.700 3.776 3.646 3.830 1.130 10 10 [*******-*+] 3
362 2 134 ALA O 2 138 LEU H . . 1.800 2.176 2.059 2.265 0.465 10 0 "[ . 1]" 3
363 2 134 ALA O 2 138 LEU N . . 2.700 3.000 2.841 3.149 0.449 10 0 "[ . 1]" 3
364 2 135 LEU O 2 139 ARG H . . 1.800 1.879 1.793 2.082 0.282 6 0 "[ . 1]" 3
365 2 135 LEU O 2 139 ARG N . . 2.700 2.852 2.768 3.035 0.335 6 0 "[ . 1]" 3
366 2 136 GLU O 2 140 GLN H . . 1.800 2.369 2.353 2.390 0.590 10 10 [*******-*+] 3
367 2 136 GLU O 2 140 GLN N . . 2.700 3.259 3.227 3.291 0.591 6 10 [-****+****] 3
368 2 137 ASP O 2 141 GLY H . . 1.800 2.118 1.982 2.228 0.428 10 0 "[ . 1]" 3
369 2 137 ASP O 2 141 GLY N . . 2.700 3.029 2.730 3.173 0.473 9 0 "[ . 1]" 3
370 2 138 LEU O 2 142 LEU H . . 1.800 2.343 2.172 2.388 0.588 10 8 "[****- * *+]" 3
371 2 138 LEU O 2 142 LEU N . . 2.700 3.203 3.142 3.232 0.532 10 8 "[***-.** *+]" 3
372 2 139 ARG O 2 143 LEU H . . 1.800 2.325 2.253 2.396 0.596 4 8 "[***+* * -*]" 3
373 2 139 ARG O 2 143 LEU N . . 2.700 3.158 3.089 3.218 0.518 4 1 "[ +. 1]" 3
374 2 140 GLN O 2 144 PRO N . . 2.700 4.109 4.099 4.137 1.437 6 10 [*-***+****] 3
375 2 141 GLY O 2 145 VAL H . . 1.800 2.123 2.006 2.207 0.407 2 0 "[ . 1]" 3
376 2 141 GLY O 2 145 VAL N . . 2.700 3.060 2.947 3.155 0.455 6 0 "[ . 1]" 3
377 2 142 LEU O 2 146 LEU H . . 1.800 1.764 1.752 1.781 . 0 0 "[ . 1]" 3
378 2 142 LEU O 2 146 LEU N . . 2.700 2.700 2.676 2.721 0.021 2 0 "[ . 1]" 3
379 2 143 LEU O 2 147 GLU H . . 1.800 2.388 2.360 2.415 0.615 10 10 [**-******+] 3
380 2 143 LEU O 2 147 GLU N . . 2.700 3.217 3.170 3.272 0.572 10 7 "[ * **-* *+]" 3
381 2 144 PRO O 2 148 SER H . . 1.800 2.109 2.026 2.207 0.407 4 0 "[ . 1]" 3
382 2 144 PRO O 2 148 SER N . . 2.700 2.952 2.879 3.045 0.345 4 0 "[ . 1]" 3
383 2 145 VAL O 2 149 PHE H . . 1.800 2.467 2.371 2.512 0.712 10 10 [*******-*+] 3
384 2 145 VAL O 2 149 PHE N . . 2.700 3.406 3.321 3.440 0.740 10 10 [*******-*+] 3
385 2 146 LEU O 2 150 LYS H . . 1.700 2.114 1.950 2.267 0.567 8 5 "[* * .*-+ 1]" 3
386 2 146 LEU O 2 150 LYS N . . 2.600 3.049 2.884 3.210 0.610 8 5 "[* * .-*+ 1]" 3
387 2 147 GLU O 2 151 VAL H . . 1.800 1.823 1.779 1.959 0.159 8 0 "[ . 1]" 3
388 2 147 GLU O 2 151 VAL N . . 2.700 2.759 2.717 2.864 0.164 8 0 "[ . 1]" 3
389 2 148 SER O 2 152 SER H . . 1.800 2.330 2.281 2.399 0.599 10 9 "[*****-* *+]" 3
390 2 148 SER O 2 152 SER N . . 2.700 3.242 3.226 3.265 0.565 6 10 [*-***+****] 3
391 2 149 PHE O 2 153 PHE H . . 1.800 2.338 2.304 2.364 0.564 7 10 [*****-+***] 3
392 2 149 PHE O 2 153 PHE N . . 2.700 3.299 3.277 3.329 0.629 7 10 [******+-**] 3
393 2 150 LYS O 2 154 LEU H . . 1.800 1.976 1.836 2.120 0.320 9 0 "[ . 1]" 3
394 2 150 LYS O 2 154 LEU N . . 2.700 2.894 2.721 3.031 0.331 9 0 "[ . 1]" 3
395 2 152 SER O 2 156 ALA H . . 1.800 2.391 2.349 2.437 0.637 10 10 [-********+] 3
396 2 152 SER O 2 156 ALA N . . 2.700 3.215 3.170 3.260 0.560 10 7 "[ ****-*+]" 3
397 2 153 PHE O 2 157 LEU H . . 1.800 2.271 2.248 2.291 0.491 7 0 "[ . 1]" 3
398 2 153 PHE O 2 157 LEU N . . 2.700 3.233 3.202 3.258 0.558 10 10 [*****-***+] 3
399 2 154 LEU O 2 158 GLU H . . 1.800 2.099 1.978 2.253 0.453 8 0 "[ . 1]" 3
400 2 154 LEU O 2 158 GLU N . . 2.700 3.004 2.893 3.170 0.470 6 0 "[ . 1]" 3
401 2 156 ALA O 2 160 TYR H . . 1.800 2.045 1.854 2.309 0.509 7 1 "[ . + 1]" 3
402 2 156 ALA O 2 160 TYR N . . 2.700 3.002 2.805 3.263 0.563 7 2 "[ . + -]" 3
403 2 157 LEU O 2 161 THR H . . 1.800 2.247 2.208 2.305 0.505 10 1 "[ . +]" 3
404 2 157 LEU O 2 161 THR N . . 2.700 3.152 3.077 3.227 0.527 10 3 "[ . * -+]" 3
405 2 158 GLU O 2 162 LYS H . . 1.800 2.088 1.839 2.230 0.430 4 0 "[ . 1]" 3
406 2 158 GLU O 2 162 LYS N . . 2.700 3.008 2.747 3.163 0.463 4 0 "[ . 1]" 3
407 2 159 GLU O 2 163 LYS H . . 1.800 2.050 2.031 2.080 0.280 4 0 "[ . 1]" 3
408 2 159 GLU O 2 163 LYS N . . 2.700 3.027 3.011 3.054 0.354 4 0 "[ . 1]" 3
409 2 160 TYR O 2 164 LEU H . . 1.800 2.074 2.037 2.126 0.326 7 0 "[ . 1]" 3
410 2 160 TYR O 2 164 LEU N . . 2.700 2.983 2.869 3.071 0.371 7 0 "[ . 1]" 3
411 2 161 THR O 2 165 ASN H . . 1.800 1.961 1.832 2.158 0.358 10 0 "[ . 1]" 3
412 2 161 THR O 2 165 ASN N . . 2.700 2.825 2.706 2.994 0.294 10 0 "[ . 1]" 3
413 2 163 LYS O 2 167 GLN H . . 1.800 6.425 5.201 7.985 6.185 9 10 [****-***+*] 3
414 2 163 LYS O 2 167 GLN N . . 2.700 6.644 5.662 8.463 5.763 10 10 [-********+] 3
stop_
save_