NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
598579 |
2my6   |
25447 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2my6
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 1163
_Distance_constraint_stats_list.Viol_count 4876
_Distance_constraint_stats_list.Viol_total 31055.418
_Distance_constraint_stats_list.Viol_max 1.954
_Distance_constraint_stats_list.Viol_rms 0.2201
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0668
_Distance_constraint_stats_list.Viol_average_violations_only 0.3185
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 MET 6.020 0.534 4 1 "[ +. 1 . 2]"
1 4 GLN 8.084 0.551 13 2 "[ . - + . 2]"
1 5 HIS 13.114 0.551 13 2 "[ . - + . 2]"
1 6 ALA 2.434 0.267 20 0 "[ . 1 . 2]"
1 7 SER 0.775 0.052 5 0 "[ . 1 . 2]"
1 8 VAL 4.919 0.122 3 0 "[ . 1 . 2]"
1 9 ILE 23.380 1.402 16 8 "[ * * **- *+* 2]"
1 10 ALA 2.882 0.182 10 0 "[ . 1 . 2]"
1 11 GLN 37.137 1.553 20 20 [****-**************+]
1 12 PHE 54.533 1.553 20 20 [***********-*******+]
1 13 VAL 32.496 1.583 20 20 [***********-*******+]
1 14 VAL 26.695 1.347 10 10 "[ * * *- + * *** *2]"
1 15 GLU 19.770 0.737 20 2 "[ . 1 - . +]"
1 16 GLU 12.733 0.764 16 4 "[ .* 1 *+ - 2]"
1 17 PHE 18.156 0.833 5 8 "[ * + ** * * . * -]"
1 18 LEU 27.660 0.885 18 13 "[ ***.* ** **** +*-]"
1 19 PRO 16.622 0.833 5 6 "[ + ** * - . * 2]"
1 20 ASP 17.002 1.347 10 10 "[ * * *- + * *** *2]"
1 21 VAL 43.284 1.055 12 20 [***********+*******-]
1 22 ALA 24.028 0.643 3 20 [**+****-************]
1 23 PRO 106.422 1.583 20 20 [*******************+]
1 24 ALA 49.647 1.021 11 20 [**********+*-*******]
1 25 ASP 34.700 1.363 3 20 [**+****-************]
1 26 VAL 23.024 0.757 5 20 [*-**+***************]
1 27 ASP 20.060 0.966 2 20 [*+*******-**********]
1 28 VAL 65.069 1.536 15 20 [********-*****+*****]
1 29 ASP 7.682 0.405 3 0 "[ . 1 . 2]"
1 30 LEU 3.068 0.122 4 0 "[ . 1 . 2]"
1 31 ASP 92.194 1.747 20 20 [****************-**+]
1 32 LEU 54.311 1.747 20 20 [**********-********+]
1 33 VAL 69.773 1.166 7 20 [******+**********-**]
1 34 ASP 1.668 0.119 10 0 "[ . 1 . 2]"
1 35 ASN 23.261 0.795 2 16 "[*+**** **1*** .**-**]"
1 36 GLY 40.043 1.208 17 20 [****************+***]
1 37 VAL 39.188 1.119 6 20 [*****+*******-******]
1 38 ILE 39.460 1.032 17 20 [*************-**+***]
1 39 ASP 82.956 1.208 17 20 [*********-******+***]
1 40 ALA 1.394 0.073 1 0 "[ . 1 . 2]"
1 41 LEU 40.487 1.502 5 19 "[****+******* ******-]"
1 42 GLY 19.495 1.502 5 19 "[****+******* ******-]"
1 43 LEU 77.841 1.119 6 20 [*****+*************-]
1 44 LEU 85.569 1.042 3 20 [**+*****************]
1 45 LYS 91.710 1.167 12 20 [***********+*****-**]
1 46 VAL 39.481 1.079 16 20 [******-********+****]
1 47 ILE 31.616 1.167 12 18 "[** ********+**** -**]"
1 48 ALA 21.995 1.185 19 20 [*********-********+*]
1 49 TRP 91.869 1.954 4 20 [***+*-**************]
1 50 LEU 115.084 1.954 4 20 [***+**********-*****]
1 51 GLU 32.722 1.052 19 20 [****-*************+*]
1 52 ASP 4.755 0.119 16 0 "[ . 1 . 2]"
1 53 ARG 10.368 0.642 18 1 "[ . 1 . + 2]"
1 54 PHE 15.719 0.642 18 1 "[ . 1 . + 2]"
1 55 GLY 16.674 0.772 13 18 "[****.***-***+** ****]"
1 56 ILE 18.147 0.568 5 6 "[ * + 1 * * * -]"
1 57 ALA 63.152 1.150 16 20 [***************+***-]
1 58 ALA 42.267 1.150 16 20 [****-**********+****]
1 59 ASP 9.253 0.403 13 0 "[ . 1 . 2]"
1 60 ASP 36.711 0.986 13 18 "[***** ***** +-******]"
1 61 VAL 27.295 0.986 13 18 "[***** ***** +-******]"
1 62 GLU 27.362 0.534 11 16 "[*** ** ***+** -** **]"
1 63 LEU 43.621 0.742 16 9 "[* *- * * *.+ * *]"
1 64 SER 43.189 1.106 6 20 [****-+**************]
1 65 PRO 23.128 1.106 6 20 [****-+**************]
1 66 GLU 35.997 1.193 19 20 [****-*************+*]
1 67 HIS 12.758 0.459 17 0 "[ . 1 . 2]"
1 68 PHE 58.059 1.664 3 20 [**+*-***************]
1 69 ARG 103.768 1.664 3 20 [*-+*****************]
1 70 SER 15.300 0.738 1 5 "[+ . * 1 . - **]"
1 71 ILE 87.515 1.536 15 20 [********-*****+*****]
1 72 ARG 98.310 1.534 3 20 [*-+*****************]
1 73 SER 13.856 0.669 13 20 [**********-*+*******]
1 74 ILE 15.460 0.738 1 1 "[+ . 1 . 2]"
1 75 ASP 2.526 0.127 19 0 "[ . 1 . 2]"
1 76 ALA 14.809 0.930 13 11 "[*** .** 1 -+ *** *2]"
1 77 PHE 5.413 0.166 13 0 "[ . 1 . 2]"
1 78 VAL 9.182 1.072 13 2 "[ .- 1 + . 2]"
1 79 VAL 6.564 0.240 12 0 "[ . 1 . 2]"
1 80 GLY 9.884 0.930 13 11 "[*** .** 1 -+ *** *2]"
1 81 ALA 3.075 0.162 15 0 "[ . 1 . 2]"
1 82 THR 33.200 1.429 2 17 "[*+***-* ** ** ******]"
1 83 THR 30.297 1.429 2 17 "[-+***** ** ** ******]"
1 84 PRO 0.044 0.029 16 0 "[ . 1 . 2]"
1 85 PRO 22.913 1.095 11 20 [**********+***-*****]
1 86 VAL 2.599 0.191 15 0 "[ . 1 . 2]"
1 87 GLU 7.667 0.528 3 6 "[ +*. * 1 - . **2]"
1 88 ALA 19.914 1.095 11 20 [**********+***-*****]
1 89 LYS 0.272 0.121 6 0 "[ . 1 . 2]"
1 90 LEU 0.402 0.130 20 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 MET H 1 3 MET QB 1.800 . 2.900 2.550 2.398 3.434 0.534 4 1 "[ +. 1 . 2]" 1
2 1 3 MET H 1 3 MET HG2 1.800 . 3.500 3.085 1.986 3.592 0.092 6 0 "[ . 1 . 2]" 1
3 1 3 MET H 1 3 MET HG3 1.800 . 3.500 2.740 2.172 3.649 0.149 14 0 "[ . 1 . 2]" 1
4 1 3 MET H 1 4 GLN H 1.800 . 3.500 3.175 2.681 3.705 0.205 14 0 "[ . 1 . 2]" 1
5 1 3 MET HA 1 3 MET QG 1.800 . 3.500 2.534 2.296 3.298 . 0 0 "[ . 1 . 2]" 1
6 1 3 MET HA 1 4 GLN H 1.800 . 3.500 3.256 2.193 3.543 0.043 1 0 "[ . 1 . 2]" 1
7 1 3 MET QB 1 6 ALA H 1.800 . 3.500 2.851 2.022 3.551 0.051 4 0 "[ . 1 . 2]" 1
8 1 3 MET QB 1 6 ALA HA 1.800 . 3.500 3.535 2.951 3.767 0.267 20 0 "[ . 1 . 2]" 1
9 1 3 MET QB 1 6 ALA MB 1.800 . 3.500 2.031 1.875 2.227 . 0 0 "[ . 1 . 2]" 1
10 1 3 MET QG 1 6 ALA H 1.800 . 5.000 4.569 3.804 5.105 0.105 3 0 "[ . 1 . 2]" 1
11 1 3 MET QG 1 6 ALA HA 1.800 . 5.000 4.881 4.254 5.072 0.072 10 0 "[ . 1 . 2]" 1
12 1 3 MET HG2 1 4 GLN H 1.800 . 5.000 4.582 4.117 5.052 0.052 4 0 "[ . 1 . 2]" 1
13 1 3 MET HG3 1 4 GLN H 1.800 . 5.000 4.458 3.974 5.074 0.074 5 0 "[ . 1 . 2]" 1
14 1 4 GLN H 1 4 GLN QB 1.800 . 3.500 2.914 2.328 3.394 . 0 0 "[ . 1 . 2]" 1
15 1 4 GLN H 1 4 GLN QG 1.800 . 5.000 3.182 2.095 4.415 . 0 0 "[ . 1 . 2]" 1
16 1 4 GLN H 1 5 HIS H 1.800 . 5.000 3.338 2.562 4.523 . 0 0 "[ . 1 . 2]" 1
17 1 4 GLN H 1 6 ALA H 1.800 . 5.000 3.838 2.021 4.717 . 0 0 "[ . 1 . 2]" 1
18 1 4 GLN HA 1 4 GLN QG 1.800 . 2.900 2.662 2.361 2.986 0.086 3 0 "[ . 1 . 2]" 1
19 1 4 GLN HA 1 5 HIS H 1.800 . 5.000 2.662 2.191 3.562 . 0 0 "[ . 1 . 2]" 1
20 1 4 GLN QB 1 5 HIS H 1.800 . 3.500 3.480 1.760 4.051 0.551 13 2 "[ . - + . 2]" 1
21 1 4 GLN QB 1 79 VAL QG 1.800 . 3.500 2.557 1.889 2.879 . 0 0 "[ . 1 . 2]" 1
22 1 4 GLN QB 1 79 VAL MG2 1.800 . 2.900 2.599 1.945 2.916 0.016 5 0 "[ . 1 . 2]" 1
23 1 4 GLN QG 1 5 HIS H 1.800 . 5.000 4.040 2.667 4.812 . 0 0 "[ . 1 . 2]" 1
24 1 4 GLN QG 1 79 VAL MG1 1.800 . 3.500 3.417 2.674 3.538 0.038 12 0 "[ . 1 . 2]" 1
25 1 4 GLN QG 1 79 VAL MG2 1.800 . 3.500 2.711 2.185 3.519 0.019 14 0 "[ . 1 . 2]" 1
26 1 5 HIS H 1 5 HIS HB2 1.800 . 3.500 3.500 2.494 3.865 0.365 2 0 "[ . 1 . 2]" 1
27 1 5 HIS H 1 6 ALA H 1.800 . 3.500 2.702 2.375 2.948 . 0 0 "[ . 1 . 2]" 1
28 1 5 HIS HA 1 6 ALA H 1.800 . 3.500 2.842 2.603 3.109 . 0 0 "[ . 1 . 2]" 1
29 1 5 HIS HA 1 8 VAL H 1.800 . 6.000 3.438 3.220 3.783 . 0 0 "[ . 1 . 2]" 1
30 1 5 HIS HA 1 8 VAL QG 1.800 . 4.300 3.201 2.716 3.905 . 0 0 "[ . 1 . 2]" 1
31 1 5 HIS QB 1 8 VAL HB 1.800 . 5.000 2.336 2.091 2.791 . 0 0 "[ . 1 . 2]" 1
32 1 5 HIS HB2 1 6 ALA H 1.800 . 5.000 4.169 3.812 4.394 . 0 0 "[ . 1 . 2]" 1
33 1 5 HIS HB2 1 8 VAL H 1.800 . 6.000 4.365 3.853 4.923 . 0 0 "[ . 1 . 2]" 1
34 1 5 HIS HB2 1 8 VAL QG 1.800 . 6.000 3.452 2.971 4.143 . 0 0 "[ . 1 . 2]" 1
35 1 5 HIS HB2 1 9 ILE MD 1.800 . 5.300 4.101 3.405 4.483 . 0 0 "[ . 1 . 2]" 1
36 1 5 HIS HB3 1 6 ALA H 1.800 . 5.000 4.492 4.406 4.554 . 0 0 "[ . 1 . 2]" 1
37 1 5 HIS HB3 1 8 VAL H 1.800 . 6.000 3.447 3.035 3.884 . 0 0 "[ . 1 . 2]" 1
38 1 5 HIS HB3 1 8 VAL QG 1.800 . 6.000 2.289 2.014 2.920 . 0 0 "[ . 1 . 2]" 1
39 1 5 HIS HB3 1 9 ILE MD 1.800 . 5.000 5.087 4.178 5.369 0.369 1 0 "[ . 1 . 2]" 1
40 1 6 ALA H 1 6 ALA MB 1.800 . 3.500 2.090 2.030 2.203 . 0 0 "[ . 1 . 2]" 1
41 1 6 ALA H 1 7 SER H 1.800 . 5.000 2.736 2.666 2.855 . 0 0 "[ . 1 . 2]" 1
42 1 6 ALA HA 1 9 ILE H 1.800 . 5.000 3.468 3.352 3.679 . 0 0 "[ . 1 . 2]" 1
43 1 6 ALA HA 1 9 ILE HB 1.800 . 5.000 3.169 2.827 3.413 . 0 0 "[ . 1 . 2]" 1
44 1 6 ALA HA 1 9 ILE MD 1.800 . 6.000 2.320 2.177 2.538 . 0 0 "[ . 1 . 2]" 1
45 1 6 ALA MB 1 7 SER H 1.800 . 5.000 2.648 2.560 2.773 . 0 0 "[ . 1 . 2]" 1
46 1 6 ALA MB 1 7 SER HA 1.800 . 5.000 3.729 3.680 3.799 . 0 0 "[ . 1 . 2]" 1
47 1 6 ALA MB 1 8 VAL H 1.800 . 6.000 4.476 4.379 4.571 . 0 0 "[ . 1 . 2]" 1
48 1 6 ALA MB 1 9 ILE HB 1.800 . 5.000 4.218 3.974 4.538 . 0 0 "[ . 1 . 2]" 1
49 1 6 ALA MB 1 9 ILE MD 1.800 . 6.000 3.467 3.279 3.813 . 0 0 "[ . 1 . 2]" 1
50 1 6 ALA MB 1 28 VAL QG 1.800 . 5.000 3.437 2.658 4.686 . 0 0 "[ . 1 . 2]" 1
51 1 7 SER H 1 8 VAL H 1.800 . 3.500 2.703 2.641 2.761 . 0 0 "[ . 1 . 2]" 1
52 1 7 SER HA 1 8 VAL H 1.800 . 3.500 3.539 3.519 3.552 0.052 5 0 "[ . 1 . 2]" 1
53 1 7 SER HA 1 8 VAL QG 1.800 . 5.000 4.837 4.783 4.884 . 0 0 "[ . 1 . 2]" 1
54 1 7 SER HA 1 10 ALA H 1.800 . 5.000 3.461 3.321 3.725 . 0 0 "[ . 1 . 2]" 1
55 1 7 SER HA 1 11 GLN H 1.800 . 5.000 4.151 3.800 4.472 . 0 0 "[ . 1 . 2]" 1
56 1 8 VAL H 1 8 VAL HB 1.800 . 3.500 2.426 2.395 2.454 . 0 0 "[ . 1 . 2]" 1
57 1 8 VAL H 1 8 VAL QG 1.800 . 3.500 2.243 2.159 2.390 . 0 0 "[ . 1 . 2]" 1
58 1 8 VAL H 1 9 ILE H 1.800 . 3.500 2.711 2.647 2.757 . 0 0 "[ . 1 . 2]" 1
59 1 8 VAL H 1 9 ILE MD 1.800 . 5.000 5.017 4.942 5.055 0.055 10 0 "[ . 1 . 2]" 1
60 1 8 VAL H 1 10 ALA H 1.800 . 5.000 4.204 4.091 4.370 . 0 0 "[ . 1 . 2]" 1
61 1 8 VAL HA 1 8 VAL HB 1.800 . 2.900 3.019 3.016 3.022 0.122 3 0 "[ . 1 . 2]" 1
62 1 8 VAL HA 1 8 VAL QG 1.800 . 2.900 2.066 2.041 2.099 . 0 0 "[ . 1 . 2]" 1
63 1 8 VAL HA 1 9 ILE H 1.800 . 3.500 3.552 3.540 3.559 0.059 19 0 "[ . 1 . 2]" 1
64 1 8 VAL HA 1 11 GLN H 1.800 . 5.000 3.423 3.308 3.630 . 0 0 "[ . 1 . 2]" 1
65 1 8 VAL HA 1 11 GLN QB 1.800 . 4.300 2.725 2.483 2.938 . 0 0 "[ . 1 . 2]" 1
66 1 8 VAL HA 1 12 PHE H 1.800 . 6.000 4.210 3.539 4.538 . 0 0 "[ . 1 . 2]" 1
67 1 8 VAL HB 1 8 VAL QG 1.800 . 2.900 1.906 1.891 1.915 . 0 0 "[ . 1 . 2]" 1
68 1 8 VAL HB 1 9 ILE H 1.800 . 3.500 2.531 2.471 2.607 . 0 0 "[ . 1 . 2]" 1
69 1 8 VAL QG 1 12 PHE QE 1.800 . 5.000 2.834 1.973 5.105 0.105 10 0 "[ . 1 . 2]" 1
70 1 9 ILE H 1 9 ILE HB 1.800 . 3.500 2.560 2.537 2.586 . 0 0 "[ . 1 . 2]" 1
71 1 9 ILE H 1 9 ILE MD 1.800 . 5.000 3.367 3.327 3.408 . 0 0 "[ . 1 . 2]" 1
72 1 9 ILE H 1 9 ILE HG12 1.800 . 5.000 3.350 3.308 3.383 . 0 0 "[ . 1 . 2]" 1
73 1 9 ILE H 1 9 ILE HG13 1.800 . 5.000 1.949 1.927 1.985 . 0 0 "[ . 1 . 2]" 1
74 1 9 ILE H 1 9 ILE MG 1.800 . 5.000 3.762 3.757 3.765 . 0 0 "[ . 1 . 2]" 1
75 1 9 ILE H 1 10 ALA H 1.800 . 3.500 2.745 2.684 2.832 . 0 0 "[ . 1 . 2]" 1
76 1 9 ILE H 1 10 ALA MB 1.800 . 4.300 4.376 4.314 4.482 0.182 10 0 "[ . 1 . 2]" 1
77 1 9 ILE H 1 12 PHE QD 1.800 . 5.000 4.442 4.222 4.816 . 0 0 "[ . 1 . 2]" 1
78 1 9 ILE H 1 12 PHE QE 1.800 . 5.000 5.726 5.287 6.402 1.402 16 8 "[ * * **- *+* 2]" 1
79 1 9 ILE HA 1 9 ILE MD 1.800 . 5.000 3.852 3.824 3.868 . 0 0 "[ . 1 . 2]" 1
80 1 9 ILE HA 1 9 ILE HG12 1.800 . 3.500 2.610 2.565 2.648 . 0 0 "[ . 1 . 2]" 1
81 1 9 ILE HA 1 9 ILE HG13 1.800 . 3.500 2.941 2.910 2.988 . 0 0 "[ . 1 . 2]" 1
82 1 9 ILE HA 1 9 ILE MG 1.800 . 2.900 2.325 2.258 2.365 . 0 0 "[ . 1 . 2]" 1
83 1 9 ILE HA 1 11 GLN H 1.800 . 5.000 4.380 4.199 4.688 . 0 0 "[ . 1 . 2]" 1
84 1 9 ILE HA 1 12 PHE H 1.800 . 6.000 3.543 3.313 3.925 . 0 0 "[ . 1 . 2]" 1
85 1 9 ILE HB 1 9 ILE MD 1.800 . 2.900 2.227 2.192 2.346 . 0 0 "[ . 1 . 2]" 1
86 1 9 ILE HB 1 10 ALA H 1.800 . 3.500 2.450 2.343 2.555 . 0 0 "[ . 1 . 2]" 1
87 1 9 ILE MD 1 10 ALA H 1.800 . 5.000 4.270 4.161 4.358 . 0 0 "[ . 1 . 2]" 1
88 1 9 ILE MD 1 10 ALA MB 1.800 . 5.000 5.050 4.950 5.130 0.130 14 0 "[ . 1 . 2]" 1
89 1 9 ILE MD 1 50 LEU QD 1.800 . 5.000 3.668 2.874 4.471 . 0 0 "[ . 1 . 2]" 1
90 1 9 ILE MD 1 74 ILE HA 1.800 . 6.000 5.360 4.351 6.021 0.021 17 0 "[ . 1 . 2]" 1
91 1 9 ILE MD 1 74 ILE HB 1.800 . 6.000 3.653 2.473 4.584 . 0 0 "[ . 1 . 2]" 1
92 1 9 ILE MD 1 74 ILE MD 1.800 . 5.300 4.554 3.457 5.332 0.032 1 0 "[ . 1 . 2]" 1
93 1 9 ILE MD 1 74 ILE QG 1.800 . 6.000 5.242 4.221 5.979 . 0 0 "[ . 1 . 2]" 1
94 1 9 ILE MD 1 75 ASP H 1.800 . 5.000 3.260 2.564 3.884 . 0 0 "[ . 1 . 2]" 1
95 1 9 ILE MD 1 75 ASP HA 1.800 . 3.500 2.405 2.114 3.034 . 0 0 "[ . 1 . 2]" 1
96 1 9 ILE MD 1 75 ASP HB2 1.800 . 3.500 2.292 2.005 3.601 0.101 13 0 "[ . 1 . 2]" 1
97 1 9 ILE MD 1 75 ASP HB3 1.800 . 3.500 3.288 2.245 3.525 0.025 19 0 "[ . 1 . 2]" 1
98 1 9 ILE MD 1 78 VAL QG 1.800 . 6.000 3.708 2.888 4.423 . 0 0 "[ . 1 . 2]" 1
99 1 9 ILE MD 1 78 VAL MG2 1.800 . 6.000 3.958 3.002 4.711 . 0 0 "[ . 1 . 2]" 1
100 1 9 ILE QG 1 53 ARG QH 1.800 . 6.000 3.800 1.829 5.998 . 0 0 "[ . 1 . 2]" 1
101 1 9 ILE HG12 1 9 ILE MG 1.800 . 3.500 2.303 2.264 2.332 . 0 0 "[ . 1 . 2]" 1
102 1 9 ILE HG13 1 9 ILE MG 1.800 . 3.500 3.188 3.182 3.193 . 0 0 "[ . 1 . 2]" 1
103 1 9 ILE MG 1 10 ALA HA 1.800 . 3.500 3.509 3.432 3.541 0.041 19 0 "[ . 1 . 2]" 1
104 1 9 ILE MG 1 10 ALA MB 1.800 . 5.000 4.127 3.949 4.220 . 0 0 "[ . 1 . 2]" 1
105 1 10 ALA H 1 10 ALA MB 1.800 . 2.900 2.141 2.036 2.245 . 0 0 "[ . 1 . 2]" 1
106 1 10 ALA H 1 11 GLN H 1.800 . 2.900 2.703 2.632 2.808 . 0 0 "[ . 1 . 2]" 1
107 1 10 ALA HA 1 12 PHE H 1.800 . 6.000 4.469 4.206 4.830 . 0 0 "[ . 1 . 2]" 1
108 1 10 ALA HA 1 13 VAL H 1.800 . 5.000 3.696 3.290 4.029 . 0 0 "[ . 1 . 2]" 1
109 1 10 ALA HA 1 13 VAL QG 1.800 . 4.300 2.156 2.017 2.890 . 0 0 "[ . 1 . 2]" 1
110 1 10 ALA MB 1 11 GLN H 1.800 . 2.900 2.587 2.460 2.656 . 0 0 "[ . 1 . 2]" 1
111 1 10 ALA MB 1 71 ILE MD 1.800 . 6.000 4.339 3.569 4.880 . 0 0 "[ . 1 . 2]" 1
112 1 10 ALA MB 1 71 ILE QG 1.800 . 6.000 4.109 3.358 4.707 . 0 0 "[ . 1 . 2]" 1
113 1 11 GLN H 1 11 GLN QB 1.800 . 2.900 2.332 2.258 2.451 . 0 0 "[ . 1 . 2]" 1
114 1 11 GLN H 1 11 GLN QG 1.800 . 3.500 3.265 2.170 3.982 0.482 7 0 "[ . 1 . 2]" 1
115 1 11 GLN H 1 12 PHE H 1.800 . 2.900 2.709 2.593 2.766 . 0 0 "[ . 1 . 2]" 1
116 1 11 GLN H 1 13 VAL H 1.800 . 5.000 4.398 4.190 4.508 . 0 0 "[ . 1 . 2]" 1
117 1 11 GLN H 1 13 VAL QG 1.800 . 4.300 4.146 3.952 4.998 0.698 20 2 "[ . 1 - . +]" 1
118 1 11 GLN HA 1 11 GLN HG2 1.800 . 3.500 2.720 2.399 2.999 . 0 0 "[ . 1 . 2]" 1
119 1 11 GLN HA 1 11 GLN HG3 1.800 . 3.500 2.705 2.476 3.057 . 0 0 "[ . 1 . 2]" 1
120 1 11 GLN HA 1 12 PHE H 1.800 . 3.500 3.559 3.517 3.577 0.077 17 0 "[ . 1 . 2]" 1
121 1 11 GLN HA 1 13 VAL H 1.800 . 5.000 4.748 4.416 4.892 . 0 0 "[ . 1 . 2]" 1
122 1 11 GLN HA 1 14 VAL H 1.800 . 3.500 3.708 3.425 4.068 0.568 5 1 "[ + 1 . 2]" 1
123 1 11 GLN HA 1 14 VAL QG 1.800 . 3.500 2.878 2.071 3.276 . 0 0 "[ . 1 . 2]" 1
124 1 11 GLN HA 1 23 PRO QB 1.800 . 3.500 2.838 2.215 3.495 . 0 0 "[ . 1 . 2]" 1
125 1 11 GLN HA 1 23 PRO QG 1.800 . 5.000 2.364 2.070 2.770 . 0 0 "[ . 1 . 2]" 1
126 1 11 GLN QB 1 12 PHE H 1.800 . 3.500 2.540 2.389 2.702 . 0 0 "[ . 1 . 2]" 1
127 1 11 GLN QE 1 12 PHE H 1.800 . 3.500 4.731 4.268 5.053 1.553 20 20 [****************-**+] 1
128 1 12 PHE H 1 13 VAL H 1.800 . 2.900 2.777 2.668 2.853 . 0 0 "[ . 1 . 2]" 1
129 1 12 PHE H 1 13 VAL HA 1.800 . 6.000 5.394 5.307 5.451 . 0 0 "[ . 1 . 2]" 1
130 1 12 PHE HA 1 13 VAL H 1.800 . 3.500 3.576 3.547 3.587 0.087 13 0 "[ . 1 . 2]" 1
131 1 12 PHE HA 1 15 GLU H 1.800 . 3.500 3.580 3.471 3.672 0.172 3 0 "[ . 1 . 2]" 1
132 1 12 PHE HA 1 15 GLU HB2 1.800 . 5.000 2.818 2.472 2.964 . 0 0 "[ . 1 . 2]" 1
133 1 12 PHE HA 1 15 GLU HB3 1.800 . 5.000 4.454 4.066 4.630 . 0 0 "[ . 1 . 2]" 1
134 1 12 PHE HA 1 15 GLU QG 1.800 . 5.000 3.951 3.555 4.204 . 0 0 "[ . 1 . 2]" 1
135 1 12 PHE QB 1 13 VAL H 1.800 . 3.500 2.611 2.421 3.031 . 0 0 "[ . 1 . 2]" 1
136 1 12 PHE QD 1 13 VAL QG 1.800 . 5.000 4.383 3.404 5.012 0.012 14 0 "[ . 1 . 2]" 1
137 1 12 PHE QE 1 50 LEU HA 1.800 . 5.000 5.488 5.042 5.808 0.808 10 6 "[ * +* -** 2]" 1
138 1 12 PHE HZ 1 50 LEU HA 1.800 . 6.000 6.015 5.475 6.084 0.084 12 0 "[ . 1 . 2]" 1
139 1 13 VAL H 1 13 VAL HB 1.800 . 3.500 3.083 2.342 3.622 0.122 13 0 "[ . 1 . 2]" 1
140 1 13 VAL H 1 13 VAL QG 1.800 . 3.500 1.963 1.706 2.416 0.094 19 0 "[ . 1 . 2]" 1
141 1 13 VAL HA 1 13 VAL QG 1.800 . 2.900 2.237 2.100 2.459 . 0 0 "[ . 1 . 2]" 1
142 1 13 VAL HA 1 14 VAL H 1.800 . 5.000 3.564 3.544 3.609 . 0 0 "[ . 1 . 2]" 1
143 1 13 VAL HA 1 14 VAL QG 1.800 . 5.000 4.741 4.344 4.844 . 0 0 "[ . 1 . 2]" 1
144 1 13 VAL HA 1 16 GLU QB 1.800 . 6.000 2.523 2.245 2.833 . 0 0 "[ . 1 . 2]" 1
145 1 13 VAL HB 1 13 VAL QG 1.800 . 2.900 1.902 1.895 1.914 . 0 0 "[ . 1 . 2]" 1
146 1 13 VAL QG 1 15 GLU QG 1.800 . 5.000 5.326 5.179 5.737 0.737 20 2 "[ . 1 - . +]" 1
147 1 13 VAL QG 1 23 PRO QB 1.800 . 3.500 4.573 4.253 5.083 1.583 20 20 [*-*****************+] 1
148 1 14 VAL H 1 14 VAL HB 1.800 . 3.500 2.615 2.394 3.632 0.132 12 0 "[ . 1 . 2]" 1
149 1 14 VAL H 1 14 VAL QG 1.800 . 3.500 2.246 1.799 2.392 0.001 3 0 "[ . 1 . 2]" 1
150 1 14 VAL H 1 15 GLU H 1.800 . 2.900 2.726 2.668 2.747 . 0 0 "[ . 1 . 2]" 1
151 1 14 VAL H 1 16 GLU H 1.800 . 5.000 3.934 3.745 4.176 . 0 0 "[ . 1 . 2]" 1
152 1 14 VAL HA 1 14 VAL HB 1.800 . 2.900 2.912 2.429 3.025 0.125 13 0 "[ . 1 . 2]" 1
153 1 14 VAL HA 1 14 VAL QG 1.800 . 2.900 2.125 2.050 2.301 . 0 0 "[ . 1 . 2]" 1
154 1 14 VAL HA 1 17 PHE H 1.800 . 5.000 3.741 3.460 4.086 . 0 0 "[ . 1 . 2]" 1
155 1 14 VAL HA 1 18 LEU HB2 1.800 . 5.000 3.279 2.716 3.774 . 0 0 "[ . 1 . 2]" 1
156 1 14 VAL HA 1 18 LEU HB3 1.800 . 5.000 4.403 3.782 5.035 0.035 10 0 "[ . 1 . 2]" 1
157 1 14 VAL HB 1 14 VAL QG 1.800 . 2.900 1.899 1.890 1.908 . 0 0 "[ . 1 . 2]" 1
158 1 14 VAL HB 1 15 GLU H 1.800 . 5.000 2.767 2.443 3.876 . 0 0 "[ . 1 . 2]" 1
159 1 14 VAL HB 1 18 LEU H 1.800 . 6.000 5.249 4.160 5.715 . 0 0 "[ . 1 . 2]" 1
160 1 14 VAL QG 1 15 GLU H 1.800 . 3.500 2.851 1.819 3.112 . 0 0 "[ . 1 . 2]" 1
161 1 14 VAL QG 1 15 GLU HA 1.800 . 2.900 3.251 2.946 3.344 0.444 13 0 "[ . 1 . 2]" 1
162 1 14 VAL QG 1 15 GLU HB2 1.800 . 5.000 4.429 3.514 4.689 . 0 0 "[ . 1 . 2]" 1
163 1 14 VAL QG 1 15 GLU HB3 1.800 . 5.000 4.868 4.262 5.019 0.019 1 0 "[ . 1 . 2]" 1
164 1 14 VAL QG 1 15 GLU QG 1.800 . 3.500 2.984 2.156 3.286 . 0 0 "[ . 1 . 2]" 1
165 1 14 VAL QG 1 19 PRO HA 1.800 . 6.000 3.062 2.359 4.253 . 0 0 "[ . 1 . 2]" 1
166 1 14 VAL QG 1 20 ASP HA 1.800 . 5.000 5.630 4.952 6.347 1.347 10 10 "[ * * *- + * *** *2]" 1
167 1 14 VAL QG 1 21 VAL HB 1.800 . 2.900 2.626 2.241 2.925 0.025 3 0 "[ . 1 . 2]" 1
168 1 14 VAL QG 1 23 PRO HA 1.800 . 6.000 2.243 2.102 2.718 . 0 0 "[ . 1 . 2]" 1
169 1 14 VAL QG 1 23 PRO QD 1.800 . 3.500 2.580 2.172 3.158 . 0 0 "[ . 1 . 2]" 1
170 1 14 VAL QG 1 23 PRO QG 1.800 . 3.500 2.212 1.934 2.383 . 0 0 "[ . 1 . 2]" 1
171 1 14 VAL QG 1 24 ALA H 1.800 . 6.000 4.705 4.533 5.166 . 0 0 "[ . 1 . 2]" 1
172 1 15 GLU H 1 15 GLU HB2 1.800 . 3.500 2.398 2.361 2.475 . 0 0 "[ . 1 . 2]" 1
173 1 15 GLU H 1 15 GLU HB3 1.800 . 3.500 3.594 3.590 3.599 0.099 13 0 "[ . 1 . 2]" 1
174 1 15 GLU H 1 15 GLU QG 1.800 . 5.000 2.291 2.110 2.371 . 0 0 "[ . 1 . 2]" 1
175 1 15 GLU H 1 16 GLU H 1.800 . 2.900 2.576 2.491 2.710 . 0 0 "[ . 1 . 2]" 1
176 1 15 GLU HA 1 15 GLU HB2 1.800 . 2.900 3.016 3.010 3.024 0.124 20 0 "[ . 1 . 2]" 1
177 1 15 GLU HA 1 15 GLU HB3 1.800 . 2.900 2.513 2.460 2.545 . 0 0 "[ . 1 . 2]" 1
178 1 15 GLU HA 1 15 GLU QG 1.800 . 3.500 2.293 2.253 2.350 . 0 0 "[ . 1 . 2]" 1
179 1 15 GLU HA 1 18 LEU HB2 1.800 . 6.000 5.697 4.933 5.965 . 0 0 "[ . 1 . 2]" 1
180 1 15 GLU HA 1 18 LEU HB3 1.800 . 6.000 5.865 5.126 6.074 0.074 20 0 "[ . 1 . 2]" 1
181 1 15 GLU HB2 1 16 GLU H 1.800 . 5.000 2.920 2.687 3.158 . 0 0 "[ . 1 . 2]" 1
182 1 15 GLU HB3 1 16 GLU H 1.800 . 5.000 3.812 3.607 4.087 . 0 0 "[ . 1 . 2]" 1
183 1 15 GLU QG 1 16 GLU H 1.800 . 5.000 4.175 4.118 4.242 . 0 0 "[ . 1 . 2]" 1
184 1 16 GLU H 1 16 GLU QB 1.800 . 3.500 2.272 2.265 2.285 . 0 0 "[ . 1 . 2]" 1
185 1 16 GLU H 1 16 GLU HG2 1.800 . 5.000 4.493 4.478 4.512 . 0 0 "[ . 1 . 2]" 1
186 1 16 GLU H 1 16 GLU HG3 1.800 . 5.000 4.439 4.406 4.480 . 0 0 "[ . 1 . 2]" 1
187 1 16 GLU H 1 17 PHE H 1.800 . 2.900 2.691 2.630 2.729 . 0 0 "[ . 1 . 2]" 1
188 1 16 GLU H 1 17 PHE QB 1.800 . 5.000 4.767 4.495 4.994 . 0 0 "[ . 1 . 2]" 1
189 1 16 GLU H 1 18 LEU H 1.800 . 4.000 4.188 3.801 4.673 0.673 16 1 "[ . 1 .+ 2]" 1
190 1 16 GLU HA 1 17 PHE H 1.800 . 3.500 3.540 3.525 3.562 0.062 5 0 "[ . 1 . 2]" 1
191 1 16 GLU HA 1 18 LEU H 1.800 . 5.000 5.368 5.094 5.764 0.764 16 4 "[ .* 1 *+ - 2]" 1
192 1 16 GLU QB 1 17 PHE H 1.800 . 3.500 2.728 2.514 2.812 . 0 0 "[ . 1 . 2]" 1
193 1 16 GLU QB 1 45 LYS QD 1.800 . 5.000 4.678 4.150 5.028 0.028 16 0 "[ . 1 . 2]" 1
194 1 16 GLU QG 1 45 LYS QE 1.800 . 5.000 4.349 3.784 4.964 . 0 0 "[ . 1 . 2]" 1
195 1 16 GLU HG2 1 17 PHE H 1.800 . 5.000 4.002 3.781 4.135 . 0 0 "[ . 1 . 2]" 1
196 1 16 GLU HG2 1 45 LYS QD 1.800 . 3.500 3.514 3.275 3.567 0.067 7 0 "[ . 1 . 2]" 1
197 1 16 GLU HG3 1 17 PHE H 1.800 . 5.000 4.929 4.772 5.003 0.003 12 0 "[ . 1 . 2]" 1
198 1 16 GLU HG3 1 45 LYS QD 1.800 . 5.000 3.340 2.594 4.593 . 0 0 "[ . 1 . 2]" 1
199 1 17 PHE H 1 17 PHE HB2 1.800 . 3.500 2.978 2.419 3.338 . 0 0 "[ . 1 . 2]" 1
200 1 17 PHE H 1 17 PHE HB3 1.800 . 4.300 3.037 2.543 3.867 . 0 0 "[ . 1 . 2]" 1
201 1 17 PHE H 1 18 LEU QB 1.800 . 5.000 4.242 3.767 4.704 . 0 0 "[ . 1 . 2]" 1
202 1 17 PHE H 1 19 PRO HD2 1.800 . 5.000 5.517 5.333 5.833 0.833 5 6 "[ + ** * - . * 2]" 1
203 1 17 PHE H 1 19 PRO HD3 1.800 . 5.000 4.018 3.862 4.381 . 0 0 "[ . 1 . 2]" 1
204 1 17 PHE HA 1 19 PRO HD2 1.800 . 5.000 5.037 5.007 5.069 0.069 15 0 "[ . 1 . 2]" 1
205 1 17 PHE HA 1 19 PRO HD3 1.800 . 4.300 3.786 3.544 4.039 . 0 0 "[ . 1 . 2]" 1
206 1 17 PHE QB 1 18 LEU QB 1.800 . 5.000 3.585 3.411 3.901 . 0 0 "[ . 1 . 2]" 1
207 1 17 PHE HB2 1 18 LEU H 1.800 . 3.500 3.567 2.349 4.136 0.636 13 3 "[ * . 1 + . -]" 1
208 1 17 PHE HB2 1 37 VAL MG1 1.800 . 5.000 2.964 2.400 3.575 . 0 0 "[ . 1 . 2]" 1
209 1 17 PHE HB2 1 37 VAL MG2 1.800 . 5.000 4.455 3.733 5.006 0.006 10 0 "[ . 1 . 2]" 1
210 1 17 PHE HB3 1 18 LEU H 1.800 . 3.500 2.852 2.154 3.834 0.334 8 0 "[ . 1 . 2]" 1
211 1 17 PHE HB3 1 37 VAL MG1 1.800 . 5.000 2.950 2.084 4.834 . 0 0 "[ . 1 . 2]" 1
212 1 17 PHE HB3 1 37 VAL MG2 1.800 . 5.000 3.874 2.891 4.999 . 0 0 "[ . 1 . 2]" 1
213 1 18 LEU H 1 18 LEU HB2 1.800 . 3.500 2.398 2.348 2.442 . 0 0 "[ . 1 . 2]" 1
214 1 18 LEU H 1 18 LEU HB3 1.800 . 3.500 3.566 3.529 3.608 0.108 8 0 "[ . 1 . 2]" 1
215 1 18 LEU H 1 18 LEU HG 1.800 . 3.500 3.552 3.506 3.584 0.084 7 0 "[ . 1 . 2]" 1
216 1 18 LEU HA 1 18 LEU QD 1.800 . 3.500 2.222 2.126 2.325 . 0 0 "[ . 1 . 2]" 1
217 1 18 LEU HA 1 18 LEU HG 1.800 . 3.500 2.380 2.294 2.546 . 0 0 "[ . 1 . 2]" 1
218 1 18 LEU HA 1 19 PRO HD2 1.800 . 3.500 2.230 2.177 2.267 . 0 0 "[ . 1 . 2]" 1
219 1 18 LEU HA 1 19 PRO QD 1.800 . 3.500 2.131 2.112 2.139 . 0 0 "[ . 1 . 2]" 1
220 1 18 LEU HA 1 19 PRO HD3 1.800 . 3.500 2.713 2.603 2.852 . 0 0 "[ . 1 . 2]" 1
221 1 18 LEU HB2 1 18 LEU QD 1.800 . 2.900 2.180 2.148 2.242 . 0 0 "[ . 1 . 2]" 1
222 1 18 LEU HB2 1 21 VAL H 1.800 . 5.000 4.813 4.511 5.004 0.004 6 0 "[ . 1 . 2]" 1
223 1 18 LEU HB2 1 21 VAL HB 1.800 . 4.000 3.704 3.317 3.972 . 0 0 "[ . 1 . 2]" 1
224 1 18 LEU HB2 1 37 VAL QG 1.800 . 5.000 4.062 3.188 4.732 . 0 0 "[ . 1 . 2]" 1
225 1 18 LEU HB3 1 18 LEU QD 1.800 . 2.900 2.070 2.038 2.099 . 0 0 "[ . 1 . 2]" 1
226 1 18 LEU HB3 1 21 VAL H 1.800 . 5.000 3.332 3.061 3.548 . 0 0 "[ . 1 . 2]" 1
227 1 18 LEU HB3 1 21 VAL HB 1.800 . 5.000 2.507 2.266 2.808 . 0 0 "[ . 1 . 2]" 1
228 1 18 LEU HB3 1 37 VAL QG 1.800 . 5.000 5.282 4.404 5.885 0.885 18 8 "[ * *. ** -. +**]" 1
229 1 18 LEU QD 1 18 LEU HG 1.800 . 2.900 1.897 1.885 1.907 . 0 0 "[ . 1 . 2]" 1
230 1 18 LEU QD 1 20 ASP QB 1.800 . 5.000 3.406 2.993 4.439 . 0 0 "[ . 1 . 2]" 1
231 1 18 LEU HG 1 19 PRO HD2 1.800 . 5.000 4.484 4.398 4.699 . 0 0 "[ . 1 . 2]" 1
232 1 18 LEU HG 1 19 PRO HD3 1.800 . 5.000 4.776 4.626 4.967 . 0 0 "[ . 1 . 2]" 1
233 1 19 PRO HA 1 19 PRO HD2 1.800 . 5.000 4.074 4.061 4.081 . 0 0 "[ . 1 . 2]" 1
234 1 19 PRO HA 1 19 PRO HD3 1.800 . 3.500 3.723 3.603 3.791 0.291 13 0 "[ . 1 . 2]" 1
235 1 19 PRO HA 1 20 ASP H 1.800 . 3.500 3.446 3.426 3.483 . 0 0 "[ . 1 . 2]" 1
236 1 19 PRO HA 1 20 ASP HA 1.800 . 5.000 4.674 4.643 4.708 . 0 0 "[ . 1 . 2]" 1
237 1 19 PRO HA 1 21 VAL H 1.800 . 5.000 3.551 3.485 3.649 . 0 0 "[ . 1 . 2]" 1
238 1 19 PRO QB 1 20 ASP H 1.800 . 5.000 3.503 3.455 3.555 . 0 0 "[ . 1 . 2]" 1
239 1 19 PRO HB2 1 19 PRO HD3 1.800 . 4.300 4.023 3.996 4.041 . 0 0 "[ . 1 . 2]" 1
240 1 19 PRO HB3 1 19 PRO HD3 1.800 . 4.300 3.227 3.192 3.257 . 0 0 "[ . 1 . 2]" 1
241 1 19 PRO HD2 1 19 PRO HG2 1.800 . 2.900 2.284 2.282 2.287 . 0 0 "[ . 1 . 2]" 1
242 1 19 PRO HD2 1 19 PRO HG3 1.800 . 2.900 2.783 2.752 2.805 . 0 0 "[ . 1 . 2]" 1
243 1 19 PRO HD2 1 20 ASP H 1.800 . 3.500 2.603 2.417 2.853 . 0 0 "[ . 1 . 2]" 1
244 1 19 PRO HD3 1 19 PRO HG2 1.800 . 2.900 2.955 2.946 2.968 0.068 10 0 "[ . 1 . 2]" 1
245 1 19 PRO HD3 1 19 PRO HG3 1.800 . 2.900 2.285 2.282 2.292 . 0 0 "[ . 1 . 2]" 1
246 1 19 PRO HD3 1 20 ASP H 1.800 . 5.000 3.848 3.748 3.993 . 0 0 "[ . 1 . 2]" 1
247 1 19 PRO QG 1 20 ASP H 1.800 . 3.500 3.048 2.927 3.131 . 0 0 "[ . 1 . 2]" 1
248 1 19 PRO QG 1 21 VAL H 1.800 . 6.000 5.082 5.001 5.179 . 0 0 "[ . 1 . 2]" 1
249 1 20 ASP H 1 20 ASP HB2 1.800 . 3.500 2.609 2.379 3.655 0.155 3 0 "[ . 1 . 2]" 1
250 1 20 ASP H 1 20 ASP HB3 1.800 . 3.500 3.382 2.568 3.633 0.133 5 0 "[ . 1 . 2]" 1
251 1 20 ASP H 1 21 VAL H 1.800 . 2.900 2.544 2.484 2.652 . 0 0 "[ . 1 . 2]" 1
252 1 20 ASP H 1 21 VAL HB 1.800 . 5.000 4.629 4.591 4.680 . 0 0 "[ . 1 . 2]" 1
253 1 20 ASP H 1 21 VAL QG 1.800 . 3.500 3.301 3.200 3.527 0.027 6 0 "[ . 1 . 2]" 1
254 1 20 ASP HA 1 20 ASP HB2 1.800 . 2.900 2.880 2.439 3.020 0.120 18 0 "[ . 1 . 2]" 1
255 1 20 ASP HA 1 20 ASP HB3 1.800 . 2.900 2.559 2.484 3.022 0.122 4 0 "[ . 1 . 2]" 1
256 1 20 ASP HA 1 21 VAL H 1.800 . 3.500 3.225 3.171 3.288 . 0 0 "[ . 1 . 2]" 1
257 1 20 ASP HB2 1 21 VAL H 1.800 . 5.000 3.871 3.543 4.441 . 0 0 "[ . 1 . 2]" 1
258 1 20 ASP HB3 1 21 VAL H 1.800 . 5.000 4.266 3.660 4.487 . 0 0 "[ . 1 . 2]" 1
259 1 21 VAL H 1 21 VAL HB 1.800 . 3.500 2.615 2.538 2.703 . 0 0 "[ . 1 . 2]" 1
260 1 21 VAL H 1 21 VAL QG 1.800 . 3.500 2.516 2.439 2.736 . 0 0 "[ . 1 . 2]" 1
261 1 21 VAL H 1 22 ALA H 1.800 . 5.000 4.480 4.447 4.514 . 0 0 "[ . 1 . 2]" 1
262 1 21 VAL H 1 23 PRO QG 1.800 . 5.000 5.971 5.826 6.055 1.055 12 20 [***********+**-*****] 1
263 1 21 VAL HA 1 21 VAL QG 1.800 . 3.500 2.078 2.025 2.132 . 0 0 "[ . 1 . 2]" 1
264 1 21 VAL HA 1 22 ALA H 1.800 . 3.500 2.218 2.208 2.235 . 0 0 "[ . 1 . 2]" 1
265 1 21 VAL HA 1 22 ALA MB 1.800 . 5.000 4.016 3.966 4.054 . 0 0 "[ . 1 . 2]" 1
266 1 21 VAL HB 1 21 VAL QG 1.800 . 2.900 1.909 1.885 1.917 . 0 0 "[ . 1 . 2]" 1
267 1 21 VAL HB 1 22 ALA H 1.800 . 3.500 4.080 4.021 4.143 0.643 3 20 [**+******-**********] 1
268 1 21 VAL HB 1 23 PRO QG 1.800 . 5.000 5.607 5.443 5.769 0.769 6 19 "[*****+ ************-]" 1
269 1 21 VAL QG 1 22 ALA HA 1.800 . 5.000 4.063 4.008 4.126 . 0 0 "[ . 1 . 2]" 1
270 1 22 ALA H 1 22 ALA MB 1.800 . 2.900 2.177 2.044 2.266 . 0 0 "[ . 1 . 2]" 1
271 1 22 ALA H 1 24 ALA H 1.800 . 5.000 5.403 5.296 5.643 0.643 3 3 "[ + * 1 - . 2]" 1
272 1 22 ALA H 1 25 ASP H 1.800 . 5.000 4.637 4.523 4.780 . 0 0 "[ . 1 . 2]" 1
273 1 22 ALA HA 1 23 PRO QD 1.800 . 3.500 2.042 2.035 2.047 . 0 0 "[ . 1 . 2]" 1
274 1 22 ALA HA 1 24 ALA H 1.800 . 5.000 3.803 3.737 3.959 . 0 0 "[ . 1 . 2]" 1
275 1 22 ALA MB 1 23 PRO HA 1.800 . 5.000 4.645 4.618 4.664 . 0 0 "[ . 1 . 2]" 1
276 1 22 ALA MB 1 23 PRO QD 1.800 . 3.500 3.092 3.053 3.151 . 0 0 "[ . 1 . 2]" 1
277 1 22 ALA MB 1 24 ALA H 1.800 . 5.000 2.867 2.702 3.002 . 0 0 "[ . 1 . 2]" 1
278 1 22 ALA MB 1 25 ASP HB2 1.800 . 4.000 3.513 2.250 4.605 0.605 18 4 "[ . - ** . + 2]" 1
279 1 22 ALA MB 1 25 ASP HB3 1.800 . 3.500 3.243 2.835 3.568 0.068 13 0 "[ . 1 . 2]" 1
280 1 23 PRO HA 1 23 PRO QD 1.800 . 3.500 3.326 3.320 3.347 . 0 0 "[ . 1 . 2]" 1
281 1 23 PRO HA 1 23 PRO QG 1.800 . 3.500 2.992 2.961 3.048 . 0 0 "[ . 1 . 2]" 1
282 1 23 PRO HA 1 25 ASP HA 1.800 . 5.000 6.317 6.258 6.363 1.363 3 20 [**+****************-] 1
283 1 23 PRO QB 1 23 PRO QD 1.800 . 2.900 2.878 2.861 2.910 0.010 19 0 "[ . 1 . 2]" 1
284 1 23 PRO QB 1 24 ALA H 1.800 . 2.900 2.854 2.647 2.949 0.049 20 0 "[ . 1 . 2]" 1
285 1 23 PRO QD 1 23 PRO QG 1.800 . 3.500 1.964 1.959 1.967 . 0 0 "[ . 1 . 2]" 1
286 1 23 PRO QD 1 24 ALA H 1.800 . 3.500 2.923 2.874 2.955 . 0 0 "[ . 1 . 2]" 1
287 1 23 PRO QD 1 26 VAL QG 1.800 . 5.000 4.433 4.158 4.582 . 0 0 "[ . 1 . 2]" 1
288 1 23 PRO QG 1 24 ALA H 1.800 . 3.500 3.882 3.748 3.940 0.440 4 0 "[ . 1 . 2]" 1
289 1 23 PRO QG 1 24 ALA MB 1.800 . 4.000 4.967 4.820 5.021 1.021 11 20 [****-*****+*********] 1
290 1 24 ALA H 1 24 ALA MB 1.800 . 2.900 2.153 2.043 2.262 . 0 0 "[ . 1 . 2]" 1
291 1 24 ALA H 1 25 ASP QB 1.800 . 5.000 4.598 4.298 4.846 . 0 0 "[ . 1 . 2]" 1
292 1 24 ALA HA 1 25 ASP H 1.800 . 3.500 3.478 3.433 3.501 0.001 10 0 "[ . 1 . 2]" 1
293 1 24 ALA HA 1 26 VAL H 1.800 . 3.500 3.475 3.373 3.554 0.054 10 0 "[ . 1 . 2]" 1
294 1 24 ALA MB 1 26 VAL H 1.800 . 3.500 4.219 4.181 4.257 0.757 5 20 [*-**+***************] 1
295 1 25 ASP H 1 25 ASP QB 1.800 . 3.500 2.456 2.308 2.638 . 0 0 "[ . 1 . 2]" 1
296 1 25 ASP H 1 26 VAL H 1.800 . 2.900 2.613 2.566 2.643 . 0 0 "[ . 1 . 2]" 1
297 1 25 ASP H 1 26 VAL HB 1.800 . 5.000 4.910 4.827 4.970 . 0 0 "[ . 1 . 2]" 1
298 1 25 ASP HA 1 26 VAL H 1.800 . 3.500 3.236 3.218 3.270 . 0 0 "[ . 1 . 2]" 1
299 1 25 ASP QB 1 26 VAL H 1.800 . 3.500 3.688 3.435 3.948 0.448 19 0 "[ . 1 . 2]" 1
300 1 25 ASP QB 1 26 VAL HA 1.800 . 5.000 4.465 4.170 4.611 . 0 0 "[ . 1 . 2]" 1
301 1 26 VAL H 1 26 VAL HB 1.800 . 3.500 2.676 2.655 2.701 . 0 0 "[ . 1 . 2]" 1
302 1 26 VAL H 1 26 VAL QG 1.800 . 3.500 2.267 2.160 2.408 . 0 0 "[ . 1 . 2]" 1
303 1 26 VAL H 1 27 ASP H 1.800 . 5.000 4.488 4.447 4.516 . 0 0 "[ . 1 . 2]" 1
304 1 26 VAL HA 1 26 VAL QG 1.800 . 2.900 2.099 2.057 2.136 . 0 0 "[ . 1 . 2]" 1
305 1 26 VAL HA 1 27 ASP H 1.800 . 3.500 2.219 2.204 2.228 . 0 0 "[ . 1 . 2]" 1
306 1 26 VAL HA 1 27 ASP QB 1.800 . 5.000 4.308 4.135 4.454 . 0 0 "[ . 1 . 2]" 1
307 1 26 VAL HB 1 26 VAL QG 1.800 . 2.900 1.909 1.898 1.916 . 0 0 "[ . 1 . 2]" 1
308 1 26 VAL HB 1 28 VAL H 1.800 . 5.000 5.152 5.141 5.163 0.163 16 0 "[ . 1 . 2]" 1
309 1 26 VAL QG 1 27 ASP H 1.800 . 5.000 2.469 2.306 2.699 . 0 0 "[ . 1 . 2]" 1
310 1 26 VAL QG 1 71 ILE QG 1.800 . 4.300 4.221 3.735 4.641 0.341 10 0 "[ . 1 . 2]" 1
311 1 27 ASP H 1 27 ASP QB 1.800 . 3.500 2.372 2.335 2.402 . 0 0 "[ . 1 . 2]" 1
312 1 27 ASP H 1 28 VAL H 1.800 . 3.500 4.458 4.449 4.466 0.966 2 20 [*+*******-**********] 1
313 1 27 ASP H 1 30 LEU H 1.800 . 5.000 4.942 4.632 5.034 0.034 19 0 "[ . 1 . 2]" 1
314 1 27 ASP H 1 30 LEU QB 1.800 . 6.000 4.145 3.493 4.439 . 0 0 "[ . 1 . 2]" 1
315 1 27 ASP HA 1 28 VAL H 1.800 . 3.500 2.201 2.194 2.213 . 0 0 "[ . 1 . 2]" 1
316 1 27 ASP QB 1 28 VAL QG 1.800 . 5.000 4.182 3.861 4.804 . 0 0 "[ . 1 . 2]" 1
317 1 27 ASP QB 1 29 ASP H 1.800 . 3.500 2.751 2.373 3.213 . 0 0 "[ . 1 . 2]" 1
318 1 27 ASP QB 1 30 LEU H 1.800 . 3.500 3.199 2.954 3.378 . 0 0 "[ . 1 . 2]" 1
319 1 27 ASP QB 1 30 LEU HB2 1.800 . 3.500 3.058 2.535 3.441 . 0 0 "[ . 1 . 2]" 1
320 1 27 ASP QB 1 30 LEU HB3 1.800 . 3.500 3.538 3.519 3.573 0.073 6 0 "[ . 1 . 2]" 1
321 1 27 ASP QB 1 30 LEU MD2 1.800 . 6.000 3.986 3.806 4.202 . 0 0 "[ . 1 . 2]" 1
322 1 28 VAL H 1 28 VAL HB 1.800 . 3.500 3.439 2.203 3.627 0.127 15 0 "[ . 1 . 2]" 1
323 1 28 VAL H 1 28 VAL MG1 1.800 . 3.500 2.262 1.849 2.718 . 0 0 "[ . 1 . 2]" 1
324 1 28 VAL H 1 28 VAL MG2 1.800 . 3.500 2.226 1.904 3.703 0.203 10 0 "[ . 1 . 2]" 1
325 1 28 VAL H 1 29 ASP QB 1.800 . 5.000 4.584 4.526 4.650 . 0 0 "[ . 1 . 2]" 1
326 1 28 VAL HA 1 28 VAL HB 1.800 . 2.900 2.465 2.384 2.688 . 0 0 "[ . 1 . 2]" 1
327 1 28 VAL HA 1 28 VAL MG1 1.800 . 3.500 2.471 2.287 3.167 . 0 0 "[ . 1 . 2]" 1
328 1 28 VAL HA 1 28 VAL MG2 1.800 . 3.500 3.051 2.151 3.199 . 0 0 "[ . 1 . 2]" 1
329 1 28 VAL HA 1 29 ASP H 1.800 . 5.000 3.260 3.249 3.276 . 0 0 "[ . 1 . 2]" 1
330 1 28 VAL HA 1 71 ILE H 1.800 . 6.000 4.688 4.279 5.233 . 0 0 "[ . 1 . 2]" 1
331 1 28 VAL HA 1 71 ILE HB 1.800 . 5.000 3.624 3.229 4.266 . 0 0 "[ . 1 . 2]" 1
332 1 28 VAL HA 1 71 ILE MD 1.800 . 5.000 2.635 2.119 4.789 . 0 0 "[ . 1 . 2]" 1
333 1 28 VAL HA 1 71 ILE MG 1.800 . 3.500 4.502 4.059 5.016 1.516 10 20 [********-+**********] 1
334 1 28 VAL HA 1 72 ARG H 1.800 . 5.000 4.957 4.513 5.094 0.094 8 0 "[ . 1 . 2]" 1
335 1 28 VAL HB 1 28 VAL QG 1.800 . 3.500 1.897 1.882 1.911 . 0 0 "[ . 1 . 2]" 1
336 1 28 VAL HB 1 71 ILE MD 1.800 . 3.500 3.722 2.546 5.036 1.536 15 5 "[ . * *1 - + *]" 1
337 1 28 VAL HB 1 71 ILE MG 1.800 . 3.500 3.983 3.139 5.017 1.517 10 9 "[ ** . * +* * .-* *2]" 1
338 1 28 VAL QG 1 71 ILE HB 1.800 . 3.500 3.200 2.073 3.518 0.018 14 0 "[ . 1 . 2]" 1
339 1 28 VAL QG 1 71 ILE QG 1.800 . 4.000 3.810 3.105 4.314 0.314 19 0 "[ . 1 . 2]" 1
340 1 28 VAL QG 1 71 ILE MG 1.800 . 3.500 3.122 2.270 3.680 0.180 10 0 "[ . 1 . 2]" 1
341 1 28 VAL QG 1 72 ARG QB 1.800 . 5.000 3.999 2.346 4.758 . 0 0 "[ . 1 . 2]" 1
342 1 28 VAL QG 1 75 ASP HB2 1.800 . 6.000 5.877 4.939 6.081 0.081 17 0 "[ . 1 . 2]" 1
343 1 28 VAL MG1 1 29 ASP H 1.800 . 5.000 3.932 2.785 4.158 . 0 0 "[ . 1 . 2]" 1
344 1 28 VAL MG2 1 29 ASP H 1.800 . 5.000 3.076 2.704 4.354 . 0 0 "[ . 1 . 2]" 1
345 1 29 ASP H 1 29 ASP HB2 1.800 . 3.500 2.466 2.392 3.669 0.169 18 0 "[ . 1 . 2]" 1
346 1 29 ASP H 1 29 ASP HB3 1.800 . 3.500 3.586 2.774 3.663 0.163 7 0 "[ . 1 . 2]" 1
347 1 29 ASP H 1 30 LEU H 1.800 . 2.900 2.310 2.271 2.359 . 0 0 "[ . 1 . 2]" 1
348 1 29 ASP H 1 30 LEU HB2 1.800 . 5.000 4.472 4.189 4.774 . 0 0 "[ . 1 . 2]" 1
349 1 29 ASP H 1 30 LEU HB3 1.800 . 5.000 4.552 4.488 4.642 . 0 0 "[ . 1 . 2]" 1
350 1 29 ASP HA 1 30 LEU H 1.800 . 3.500 3.349 3.230 3.487 . 0 0 "[ . 1 . 2]" 1
351 1 29 ASP HA 1 70 SER HB2 1.800 . 6.000 5.547 4.813 6.084 0.084 16 0 "[ . 1 . 2]" 1
352 1 29 ASP HA 1 70 SER HB3 1.800 . 6.000 6.227 5.840 6.405 0.405 3 0 "[ . 1 . 2]" 1
353 1 29 ASP HB2 1 30 LEU H 1.800 . 5.000 3.384 2.869 4.326 . 0 0 "[ . 1 . 2]" 1
354 1 29 ASP HB3 1 30 LEU H 1.800 . 5.000 4.134 3.839 4.337 . 0 0 "[ . 1 . 2]" 1
355 1 30 LEU H 1 30 LEU HB2 1.800 . 3.500 2.776 2.677 2.833 . 0 0 "[ . 1 . 2]" 1
356 1 30 LEU H 1 30 LEU HB3 1.800 . 3.500 2.543 2.509 2.565 . 0 0 "[ . 1 . 2]" 1
357 1 30 LEU H 1 30 LEU MD1 1.800 . 5.000 4.167 4.125 4.203 . 0 0 "[ . 1 . 2]" 1
358 1 30 LEU H 1 30 LEU MD2 1.800 . 5.000 4.361 4.314 4.393 . 0 0 "[ . 1 . 2]" 1
359 1 30 LEU H 1 31 ASP H 1.800 . 5.000 4.561 4.513 4.603 . 0 0 "[ . 1 . 2]" 1
360 1 30 LEU HA 1 30 LEU MD1 1.800 . 3.500 2.135 2.087 2.153 . 0 0 "[ . 1 . 2]" 1
361 1 30 LEU HA 1 30 LEU MD2 1.800 . 5.000 3.825 3.798 3.835 . 0 0 "[ . 1 . 2]" 1
362 1 30 LEU HA 1 30 LEU HG 1.800 . 3.500 2.921 2.897 2.950 . 0 0 "[ . 1 . 2]" 1
363 1 30 LEU HA 1 31 ASP H 1.800 . 5.000 2.242 2.212 2.275 . 0 0 "[ . 1 . 2]" 1
364 1 30 LEU HB2 1 30 LEU MD2 1.800 . 3.500 2.414 2.335 2.494 . 0 0 "[ . 1 . 2]" 1
365 1 30 LEU HB2 1 31 ASP H 1.800 . 5.000 4.212 4.158 4.263 . 0 0 "[ . 1 . 2]" 1
366 1 30 LEU HB2 1 31 ASP HA 1.800 . 6.000 6.109 6.073 6.122 0.122 4 0 "[ . 1 . 2]" 1
367 1 30 LEU HB3 1 30 LEU MD2 1.800 . 3.500 2.291 2.215 2.357 . 0 0 "[ . 1 . 2]" 1
368 1 30 LEU HB3 1 31 ASP H 1.800 . 5.000 4.048 3.968 4.118 . 0 0 "[ . 1 . 2]" 1
369 1 30 LEU HB3 1 31 ASP HA 1.800 . 6.000 5.226 5.163 5.270 . 0 0 "[ . 1 . 2]" 1
370 1 30 LEU QD 1 30 LEU HG 1.800 . 2.900 1.901 1.888 1.909 . 0 0 "[ . 1 . 2]" 1
371 1 30 LEU QD 1 31 ASP H 1.800 . 3.500 2.330 2.261 2.427 . 0 0 "[ . 1 . 2]" 1
372 1 30 LEU HG 1 31 ASP H 1.800 . 3.500 2.580 2.399 2.744 . 0 0 "[ . 1 . 2]" 1
373 1 31 ASP H 1 31 ASP HB2 1.800 . 4.300 2.490 2.430 2.531 . 0 0 "[ . 1 . 2]" 1
374 1 31 ASP H 1 31 ASP HB3 1.800 . 4.300 3.569 2.602 3.627 . 0 0 "[ . 1 . 2]" 1
375 1 31 ASP H 1 32 LEU H 1.800 . 5.000 4.606 4.483 4.653 . 0 0 "[ . 1 . 2]" 1
376 1 31 ASP H 1 33 VAL H 1.800 . 5.000 5.828 5.704 5.920 0.920 14 20 [*********-***+******] 1
377 1 31 ASP HA 1 32 LEU H 1.800 . 2.900 2.196 2.153 2.258 . 0 0 "[ . 1 . 2]" 1
378 1 31 ASP HA 1 32 LEU QD 1.800 . 3.500 5.037 4.140 5.247 1.747 20 20 [*********-*********+] 1
379 1 31 ASP HA 1 33 VAL H 1.800 . 3.500 4.079 3.941 4.192 0.692 11 18 "[**********+***** - *]" 1
380 1 31 ASP HA 1 70 SER HB2 1.800 . 3.500 2.639 2.264 3.213 . 0 0 "[ . 1 . 2]" 1
381 1 31 ASP HA 1 70 SER HB3 1.800 . 3.500 3.167 2.274 4.167 0.667 19 4 "[ . * 1 . - +*]" 1
382 1 31 ASP HA 1 72 ARG QD 1.800 . 3.500 4.825 4.612 4.869 1.369 18 20 [*************-***+**] 1
383 1 31 ASP QB 1 32 LEU H 1.800 . 5.000 3.082 2.919 3.844 . 0 0 "[ . 1 . 2]" 1
384 1 31 ASP QB 1 34 ASP QB 1.800 . 5.000 2.753 2.249 3.295 . 0 0 "[ . 1 . 2]" 1
385 1 32 LEU H 1 32 LEU QD 1.800 . 5.000 3.595 3.061 3.728 . 0 0 "[ . 1 . 2]" 1
386 1 32 LEU H 1 32 LEU HG 1.800 . 3.500 3.979 2.192 4.493 0.993 3 17 "[* +*** **1-*********]" 1
387 1 32 LEU H 1 33 VAL H 1.800 . 3.500 2.654 2.531 2.768 . 0 0 "[ . 1 . 2]" 1
388 1 32 LEU H 1 33 VAL HB 1.800 . 5.000 5.109 4.818 6.166 1.166 7 4 "[ . + * -* 2]" 1
389 1 32 LEU H 1 34 ASP H 1.800 . 5.000 4.270 4.196 4.531 . 0 0 "[ . 1 . 2]" 1
390 1 32 LEU H 1 70 SER H 1.800 . 5.000 3.830 3.631 3.925 . 0 0 "[ . 1 . 2]" 1
391 1 32 LEU H 1 71 ILE MD 1.800 . 5.000 3.532 3.109 4.357 . 0 0 "[ . 1 . 2]" 1
392 1 32 LEU HA 1 32 LEU QD 1.800 . 3.500 2.225 2.051 2.484 . 0 0 "[ . 1 . 2]" 1
393 1 32 LEU HA 1 32 LEU HG 1.800 . 3.500 2.628 2.276 3.032 . 0 0 "[ . 1 . 2]" 1
394 1 32 LEU HA 1 33 VAL H 1.800 . 3.500 3.546 3.526 3.557 0.057 19 0 "[ . 1 . 2]" 1
395 1 32 LEU HA 1 35 ASN H 1.800 . 5.000 3.617 3.218 3.698 . 0 0 "[ . 1 . 2]" 1
396 1 32 LEU HB2 1 32 LEU QD 1.800 . 2.900 2.172 2.060 2.282 . 0 0 "[ . 1 . 2]" 1
397 1 32 LEU HB2 1 33 VAL H 1.800 . 3.500 3.567 2.668 3.921 0.421 6 0 "[ . 1 . 2]" 1
398 1 32 LEU HB2 1 38 ILE MD 1.800 . 3.500 3.399 2.242 3.619 0.119 9 0 "[ . 1 . 2]" 1
399 1 32 LEU HB3 1 32 LEU QD 1.800 . 2.900 2.090 2.021 2.188 . 0 0 "[ . 1 . 2]" 1
400 1 32 LEU HB3 1 33 VAL H 1.800 . 5.000 2.820 2.643 3.767 . 0 0 "[ . 1 . 2]" 1
401 1 32 LEU HB3 1 38 ILE MD 1.800 . 5.000 2.326 2.131 3.062 . 0 0 "[ . 1 . 2]" 1
402 1 32 LEU QD 1 32 LEU HG 1.800 . 2.900 1.889 1.883 1.895 . 0 0 "[ . 1 . 2]" 1
403 1 32 LEU QD 1 33 VAL H 1.800 . 5.000 3.761 3.449 4.159 . 0 0 "[ . 1 . 2]" 1
404 1 32 LEU QD 1 38 ILE MD 1.800 . 5.000 1.960 1.806 2.872 . 0 0 "[ . 1 . 2]" 1
405 1 32 LEU QD 1 68 PHE QB 1.800 . 4.000 3.579 2.745 3.866 . 0 0 "[ . 1 . 2]" 1
406 1 32 LEU HG 1 70 SER HA 1.800 . 5.000 4.605 2.277 5.075 0.075 15 0 "[ . 1 . 2]" 1
407 1 32 LEU HG 1 71 ILE MD 1.800 . 6.000 3.156 2.144 4.681 . 0 0 "[ . 1 . 2]" 1
408 1 33 VAL H 1 33 VAL HB 1.800 . 3.500 2.682 2.418 3.591 0.091 7 0 "[ . 1 . 2]" 1
409 1 33 VAL H 1 33 VAL QG 1.800 . 3.500 2.228 1.796 2.391 0.004 15 0 "[ . 1 . 2]" 1
410 1 33 VAL H 1 34 ASP H 1.800 . 2.900 2.727 2.691 2.909 0.009 10 0 "[ . 1 . 2]" 1
411 1 33 VAL H 1 34 ASP QB 1.800 . 5.000 4.676 4.486 4.856 . 0 0 "[ . 1 . 2]" 1
412 1 33 VAL H 1 35 ASN H 1.800 . 4.300 4.159 4.000 4.220 . 0 0 "[ . 1 . 2]" 1
413 1 33 VAL HA 1 33 VAL QG 1.800 . 3.500 2.076 2.013 2.324 . 0 0 "[ . 1 . 2]" 1
414 1 33 VAL HA 1 34 ASP H 1.800 . 3.500 3.549 3.538 3.573 0.073 7 0 "[ . 1 . 2]" 1
415 1 33 VAL HA 1 35 ASN H 1.800 . 5.000 3.902 3.834 4.223 . 0 0 "[ . 1 . 2]" 1
416 1 33 VAL HA 1 36 GLY H 1.800 . 3.500 2.954 2.879 3.281 . 0 0 "[ . 1 . 2]" 1
417 1 33 VAL HA 1 38 ILE H 1.800 . 3.500 3.721 3.318 4.140 0.640 10 3 "[ . * + -. 2]" 1
418 1 33 VAL HA 1 38 ILE HB 1.800 . 3.500 3.479 3.186 3.586 0.086 14 0 "[ . 1 . 2]" 1
419 1 33 VAL HB 1 33 VAL QG 1.800 . 2.900 1.890 1.879 1.906 . 0 0 "[ . 1 . 2]" 1
420 1 33 VAL HB 1 34 ASP H 1.800 . 3.500 2.930 2.709 3.595 0.095 15 0 "[ . 1 . 2]" 1
421 1 33 VAL QG 1 34 ASP H 1.800 . 3.500 2.955 1.681 3.290 0.119 10 0 "[ . 1 . 2]" 1
422 1 33 VAL QG 1 35 ASN H 1.800 . 3.500 4.181 3.715 4.295 0.795 2 16 "[*+**** **1*** .**-**]" 1
423 1 33 VAL QG 1 35 ASN HB2 1.800 . 5.000 5.103 4.975 5.145 0.145 19 0 "[ . 1 . 2]" 1
424 1 33 VAL QG 1 35 ASN HB3 1.800 . 6.000 6.225 6.201 6.313 0.313 14 0 "[ . 1 . 2]" 1
425 1 33 VAL QG 1 36 GLY H 1.800 . 3.500 3.709 3.536 4.303 0.803 7 4 "[ . + * -* 2]" 1
426 1 33 VAL QG 1 68 PHE QB 1.800 . 5.000 2.780 2.238 4.373 . 0 0 "[ . 1 . 2]" 1
427 1 33 VAL QG 1 69 ARG HA 1.800 . 2.900 2.476 2.002 3.277 0.377 1 0 "[ . 1 . 2]" 1
428 1 34 ASP H 1 35 ASN H 1.800 . 3.500 2.698 2.597 2.715 . 0 0 "[ . 1 . 2]" 1
429 1 34 ASP H 1 36 GLY H 1.800 . 5.000 4.145 4.096 4.170 . 0 0 "[ . 1 . 2]" 1
430 1 34 ASP HA 1 35 ASN H 1.800 . 3.500 3.505 3.500 3.512 0.012 10 0 "[ . 1 . 2]" 1
431 1 34 ASP HA 1 36 GLY H 1.800 . 5.000 4.275 4.223 4.303 . 0 0 "[ . 1 . 2]" 1
432 1 34 ASP QB 1 35 ASN H 1.800 . 3.500 2.685 2.655 2.713 . 0 0 "[ . 1 . 2]" 1
433 1 34 ASP QB 1 36 GLY H 1.800 . 5.000 4.704 4.683 4.741 . 0 0 "[ . 1 . 2]" 1
434 1 35 ASN H 1 35 ASN HA 1.800 . 2.900 2.885 2.881 2.888 . 0 0 "[ . 1 . 2]" 1
435 1 35 ASN H 1 36 GLY H 1.800 . 2.900 2.556 2.540 2.573 . 0 0 "[ . 1 . 2]" 1
436 1 35 ASN H 1 37 VAL H 1.800 . 5.000 4.088 4.011 4.182 . 0 0 "[ . 1 . 2]" 1
437 1 35 ASN HA 1 35 ASN HB2 1.800 . 2.900 3.016 3.012 3.018 0.118 7 0 "[ . 1 . 2]" 1
438 1 35 ASN HA 1 36 GLY H 1.800 . 3.500 3.531 3.527 3.534 0.034 14 0 "[ . 1 . 2]" 1
439 1 35 ASN QB 1 37 VAL H 1.800 . 6.000 2.394 2.339 2.448 . 0 0 "[ . 1 . 2]" 1
440 1 35 ASN HB2 1 36 GLY H 1.800 . 5.000 2.736 2.720 2.761 . 0 0 "[ . 1 . 2]" 1
441 1 35 ASN HB2 1 36 GLY QA 1.800 . 5.000 4.377 4.361 4.408 . 0 0 "[ . 1 . 2]" 1
442 1 35 ASN HB3 1 36 GLY H 1.800 . 5.000 3.669 3.639 3.701 . 0 0 "[ . 1 . 2]" 1
443 1 35 ASN HB3 1 36 GLY QA 1.800 . 5.000 4.555 4.495 4.585 . 0 0 "[ . 1 . 2]" 1
444 1 36 GLY H 1 37 VAL H 1.800 . 2.900 2.368 2.288 2.455 . 0 0 "[ . 1 . 2]" 1
445 1 36 GLY QA 1 37 VAL H 1.800 . 2.900 2.918 2.914 2.926 0.026 14 0 "[ . 1 . 2]" 1
446 1 36 GLY QA 1 37 VAL HB 1.800 . 4.300 4.907 4.885 4.922 0.622 2 20 [*+**************-***] 1
447 1 36 GLY QA 1 38 ILE H 1.800 . 3.500 3.442 3.287 3.519 0.019 4 0 "[ . 1 . 2]" 1
448 1 36 GLY QA 1 39 ASP H 1.800 . 5.000 6.134 6.079 6.208 1.208 17 20 [****************+-**] 1
449 1 37 VAL H 1 37 VAL HB 1.800 . 3.500 2.457 2.442 2.478 . 0 0 "[ . 1 . 2]" 1
450 1 37 VAL H 1 37 VAL MG1 1.800 . 4.300 3.761 3.756 3.765 . 0 0 "[ . 1 . 2]" 1
451 1 37 VAL H 1 37 VAL MG2 1.800 . 4.300 2.280 2.211 2.394 . 0 0 "[ . 1 . 2]" 1
452 1 37 VAL H 1 38 ILE H 1.800 . 2.900 2.635 2.606 2.656 . 0 0 "[ . 1 . 2]" 1
453 1 37 VAL H 1 38 ILE HB 1.800 . 5.000 4.934 4.826 5.007 0.007 18 0 "[ . 1 . 2]" 1
454 1 37 VAL HA 1 37 VAL MG1 1.800 . 2.900 2.356 2.332 2.391 . 0 0 "[ . 1 . 2]" 1
455 1 37 VAL HA 1 37 VAL MG2 1.800 . 2.900 2.328 2.238 2.369 . 0 0 "[ . 1 . 2]" 1
456 1 37 VAL HA 1 38 ILE H 1.800 . 5.000 3.517 3.488 3.532 . 0 0 "[ . 1 . 2]" 1
457 1 37 VAL HB 1 38 ILE H 1.800 . 3.500 2.796 2.735 2.923 . 0 0 "[ . 1 . 2]" 1
458 1 37 VAL HB 1 38 ILE HB 1.800 . 5.000 4.908 4.843 5.040 0.040 10 0 "[ . 1 . 2]" 1
459 1 37 VAL QG 1 38 ILE H 1.800 . 4.000 3.300 3.255 3.366 . 0 0 "[ . 1 . 2]" 1
460 1 37 VAL QG 1 39 ASP H 1.800 . 3.500 4.467 3.946 4.619 1.119 6 19 [*****+***1***-******] 1
461 1 37 VAL MG1 1 38 ILE HB 1.800 . 6.000 5.073 4.946 5.201 . 0 0 "[ . 1 . 2]" 1
462 1 37 VAL MG2 1 38 ILE HB 1.800 . 6.000 5.957 5.924 6.002 0.002 17 0 "[ . 1 . 2]" 1
463 1 38 ILE H 1 38 ILE HB 1.800 . 3.500 2.498 2.424 2.548 . 0 0 "[ . 1 . 2]" 1
464 1 38 ILE H 1 38 ILE MD 1.800 . 5.000 3.581 3.482 3.670 . 0 0 "[ . 1 . 2]" 1
465 1 38 ILE H 1 38 ILE HG12 1.800 . 5.000 3.624 3.494 3.680 . 0 0 "[ . 1 . 2]" 1
466 1 38 ILE H 1 38 ILE HG13 1.800 . 5.000 2.303 2.164 2.390 . 0 0 "[ . 1 . 2]" 1
467 1 38 ILE H 1 38 ILE MG 1.800 . 5.000 3.783 3.756 3.806 . 0 0 "[ . 1 . 2]" 1
468 1 38 ILE H 1 39 ASP H 1.800 . 3.500 4.450 4.228 4.532 1.032 17 20 [*********-******+***] 1
469 1 38 ILE HA 1 38 ILE MD 1.800 . 5.000 3.833 3.794 3.862 . 0 0 "[ . 1 . 2]" 1
470 1 38 ILE HA 1 38 ILE HG12 1.800 . 3.500 2.567 2.502 2.634 . 0 0 "[ . 1 . 2]" 1
471 1 38 ILE HA 1 38 ILE HG13 1.800 . 3.500 2.952 2.874 3.001 . 0 0 "[ . 1 . 2]" 1
472 1 38 ILE HA 1 38 ILE MG 1.800 . 3.500 2.309 2.273 2.349 . 0 0 "[ . 1 . 2]" 1
473 1 38 ILE HA 1 39 ASP H 1.800 . 4.300 2.172 2.151 2.246 . 0 0 "[ . 1 . 2]" 1
474 1 38 ILE HB 1 38 ILE MD 1.800 . 2.900 2.244 2.195 2.354 . 0 0 "[ . 1 . 2]" 1
475 1 38 ILE HB 1 39 ASP H 1.800 . 5.000 4.256 4.070 4.472 . 0 0 "[ . 1 . 2]" 1
476 1 38 ILE MD 1 43 LEU H 1.800 . 6.000 5.938 5.699 6.109 0.109 10 0 "[ . 1 . 2]" 1
477 1 38 ILE MD 1 43 LEU QB 1.800 . 5.000 4.905 4.658 5.046 0.046 17 0 "[ . 1 . 2]" 1
478 1 38 ILE MD 1 43 LEU QD 1.800 . 5.000 4.306 3.818 4.960 . 0 0 "[ . 1 . 2]" 1
479 1 38 ILE MD 1 67 HIS QB 1.800 . 6.000 6.392 6.168 6.459 0.459 17 0 "[ . 1 . 2]" 1
480 1 38 ILE MD 1 68 PHE QB 1.800 . 5.000 1.976 1.867 2.159 . 0 0 "[ . 1 . 2]" 1
481 1 38 ILE HG12 1 38 ILE MG 1.800 . 2.900 2.232 2.136 2.329 . 0 0 "[ . 1 . 2]" 1
482 1 38 ILE HG12 1 39 ASP H 1.800 . 5.000 4.524 4.392 4.709 . 0 0 "[ . 1 . 2]" 1
483 1 38 ILE HG13 1 38 ILE MG 1.800 . 2.900 3.154 3.142 3.174 0.274 2 0 "[ . 1 . 2]" 1
484 1 38 ILE HG13 1 39 ASP H 1.800 . 5.000 5.022 4.996 5.051 0.051 16 0 "[ . 1 . 2]" 1
485 1 38 ILE MG 1 39 ASP H 1.800 . 3.500 2.647 2.224 3.215 . 0 0 "[ . 1 . 2]" 1
486 1 38 ILE MG 1 42 GLY QA 1.800 . 6.000 3.329 2.963 3.973 . 0 0 "[ . 1 . 2]" 1
487 1 38 ILE MG 1 43 LEU H 1.800 . 4.000 3.088 2.850 3.338 . 0 0 "[ . 1 . 2]" 1
488 1 38 ILE MG 1 43 LEU HA 1.800 . 5.000 2.785 2.510 3.477 . 0 0 "[ . 1 . 2]" 1
489 1 38 ILE MG 1 43 LEU QB 1.800 . 3.500 2.653 2.406 2.877 . 0 0 "[ . 1 . 2]" 1
490 1 39 ASP H 1 39 ASP HB2 1.800 . 3.500 2.699 2.428 3.240 . 0 0 "[ . 1 . 2]" 1
491 1 39 ASP H 1 39 ASP HB3 1.800 . 3.500 3.399 2.784 3.709 0.209 18 0 "[ . 1 . 2]" 1
492 1 39 ASP H 1 41 LEU H 1.800 . 5.000 4.986 4.806 5.073 0.073 10 0 "[ . 1 . 2]" 1
493 1 39 ASP H 1 42 GLY H 1.800 . 5.000 3.067 2.837 3.176 . 0 0 "[ . 1 . 2]" 1
494 1 39 ASP H 1 43 LEU H 1.800 . 4.000 3.176 2.595 3.558 . 0 0 "[ . 1 . 2]" 1
495 1 39 ASP HA 1 40 ALA H 1.800 . 3.500 2.762 2.512 2.880 . 0 0 "[ . 1 . 2]" 1
496 1 39 ASP QB 1 40 ALA MB 1.800 . 5.000 3.662 3.338 4.095 . 0 0 "[ . 1 . 2]" 1
497 1 39 ASP QB 1 43 LEU QD 1.800 . 5.000 5.934 5.748 6.049 1.049 17 20 [-***************+***] 1
498 1 39 ASP HB2 1 40 ALA H 1.800 . 5.000 3.320 2.919 3.654 . 0 0 "[ . 1 . 2]" 1
499 1 39 ASP HB2 1 41 LEU H 1.800 . 5.000 3.979 3.429 4.881 . 0 0 "[ . 1 . 2]" 1
500 1 39 ASP HB3 1 40 ALA H 1.800 . 3.500 2.252 1.780 2.918 0.020 5 0 "[ . 1 . 2]" 1
501 1 39 ASP HB3 1 41 LEU H 1.800 . 5.000 3.286 3.020 3.506 . 0 0 "[ . 1 . 2]" 1
502 1 40 ALA H 1 40 ALA MB 1.800 . 2.900 2.154 2.060 2.262 . 0 0 "[ . 1 . 2]" 1
503 1 40 ALA H 1 41 LEU H 1.800 . 3.500 2.771 2.724 2.805 . 0 0 "[ . 1 . 2]" 1
504 1 40 ALA H 1 42 GLY H 1.800 . 5.000 3.599 3.571 3.636 . 0 0 "[ . 1 . 2]" 1
505 1 40 ALA H 1 42 GLY QA 1.800 . 5.000 4.933 4.911 4.971 . 0 0 "[ . 1 . 2]" 1
506 1 40 ALA H 1 43 LEU HB2 1.800 . 6.000 5.562 5.265 5.903 . 0 0 "[ . 1 . 2]" 1
507 1 40 ALA H 1 43 LEU HB3 1.800 . 6.000 5.554 5.297 5.765 . 0 0 "[ . 1 . 2]" 1
508 1 40 ALA HA 1 41 LEU H 1.800 . 3.500 3.568 3.549 3.573 0.073 1 0 "[ . 1 . 2]" 1
509 1 40 ALA HA 1 43 LEU QB 1.800 . 5.000 3.077 2.950 3.216 . 0 0 "[ . 1 . 2]" 1
510 1 40 ALA HA 1 43 LEU QD 1.800 . 6.000 3.891 3.741 4.344 . 0 0 "[ . 1 . 2]" 1
511 1 40 ALA MB 1 41 LEU H 1.800 . 3.500 2.326 2.183 2.505 . 0 0 "[ . 1 . 2]" 1
512 1 41 LEU H 1 41 LEU HB2 1.800 . 4.300 2.481 2.335 2.580 . 0 0 "[ . 1 . 2]" 1
513 1 41 LEU H 1 41 LEU HB3 1.800 . 4.300 3.613 3.583 3.624 . 0 0 "[ . 1 . 2]" 1
514 1 41 LEU H 1 41 LEU QD 1.800 . 3.500 2.301 1.751 2.843 0.049 5 0 "[ . 1 . 2]" 1
515 1 41 LEU H 1 41 LEU HG 1.800 . 3.500 2.785 2.054 3.605 0.105 5 0 "[ . 1 . 2]" 1
516 1 41 LEU H 1 42 GLY H 1.800 . 4.300 2.399 2.356 2.439 . 0 0 "[ . 1 . 2]" 1
517 1 41 LEU H 1 42 GLY QA 1.800 . 5.000 4.338 4.297 4.372 . 0 0 "[ . 1 . 2]" 1
518 1 41 LEU H 1 43 LEU H 1.800 . 3.500 4.110 3.994 4.233 0.733 10 18 "[ ********+** ******-]" 1
519 1 41 LEU H 1 44 LEU H 1.800 . 5.000 4.777 4.720 4.817 . 0 0 "[ . 1 . 2]" 1
520 1 41 LEU H 1 45 LYS H 1.800 . 6.000 6.046 6.028 6.066 0.066 11 0 "[ . 1 . 2]" 1
521 1 41 LEU HA 1 41 LEU HB2 1.800 . 2.900 3.026 3.021 3.030 0.130 16 0 "[ . 1 . 2]" 1
522 1 41 LEU HA 1 41 LEU HB3 1.800 . 2.900 2.484 2.433 2.563 . 0 0 "[ . 1 . 2]" 1
523 1 41 LEU HA 1 41 LEU QD 1.800 . 3.500 2.364 1.975 2.875 . 0 0 "[ . 1 . 2]" 1
524 1 41 LEU HA 1 42 GLY H 1.800 . 3.500 3.493 3.485 3.500 . 0 0 "[ . 1 . 2]" 1
525 1 41 LEU HA 1 43 LEU H 1.800 . 5.000 4.251 4.143 4.428 . 0 0 "[ . 1 . 2]" 1
526 1 41 LEU HA 1 44 LEU HB2 1.800 . 6.000 3.190 2.960 3.532 . 0 0 "[ . 1 . 2]" 1
527 1 41 LEU HA 1 44 LEU HB3 1.800 . 6.000 2.594 2.429 2.724 . 0 0 "[ . 1 . 2]" 1
528 1 41 LEU QB 1 42 GLY QA 1.800 . 5.000 3.661 3.637 3.678 . 0 0 "[ . 1 . 2]" 1
529 1 41 LEU HB2 1 41 LEU QD 1.800 . 2.900 2.194 2.026 2.438 . 0 0 "[ . 1 . 2]" 1
530 1 41 LEU HB2 1 41 LEU HG 1.800 . 2.900 2.683 2.355 3.020 0.120 18 0 "[ . 1 . 2]" 1
531 1 41 LEU HB2 1 42 GLY H 1.800 . 5.000 2.735 2.674 2.780 . 0 0 "[ . 1 . 2]" 1
532 1 41 LEU HB3 1 41 LEU QD 1.800 . 2.900 2.161 2.038 2.289 . 0 0 "[ . 1 . 2]" 1
533 1 41 LEU HB3 1 41 LEU HG 1.800 . 2.900 2.778 2.516 3.021 0.121 1 0 "[ . 1 . 2]" 1
534 1 41 LEU HB3 1 42 GLY H 1.800 . 5.000 3.791 3.668 3.885 . 0 0 "[ . 1 . 2]" 1
535 1 41 LEU QD 1 41 LEU HG 1.800 . 5.000 1.901 1.891 1.911 . 0 0 "[ . 1 . 2]" 1
536 1 41 LEU QD 1 42 GLY H 1.800 . 5.000 3.761 3.458 4.028 . 0 0 "[ . 1 . 2]" 1
537 1 41 LEU QD 1 43 LEU H 1.800 . 5.000 5.044 4.794 5.096 0.096 9 0 "[ . 1 . 2]" 1
538 1 41 LEU HG 1 42 GLY H 1.800 . 3.500 4.475 3.997 5.002 1.502 5 19 "[****+******* ******-]" 1
539 1 42 GLY H 1 43 LEU H 1.800 . 2.900 2.708 2.668 2.786 . 0 0 "[ . 1 . 2]" 1
540 1 42 GLY H 1 44 LEU H 1.800 . 5.000 4.111 4.017 4.203 . 0 0 "[ . 1 . 2]" 1
541 1 42 GLY QA 1 43 LEU H 1.800 . 2.900 2.699 2.651 2.726 . 0 0 "[ . 1 . 2]" 1
542 1 42 GLY QA 1 44 LEU H 1.800 . 5.000 4.083 4.001 4.171 . 0 0 "[ . 1 . 2]" 1
543 1 42 GLY QA 1 45 LYS H 1.800 . 5.000 3.453 3.378 3.538 . 0 0 "[ . 1 . 2]" 1
544 1 42 GLY QA 1 45 LYS QB 1.800 . 5.000 2.806 2.684 2.935 . 0 0 "[ . 1 . 2]" 1
545 1 42 GLY QA 1 45 LYS QD 1.800 . 5.000 2.828 2.693 3.109 . 0 0 "[ . 1 . 2]" 1
546 1 43 LEU H 1 43 LEU QB 1.800 . 3.500 2.249 2.225 2.259 . 0 0 "[ . 1 . 2]" 1
547 1 43 LEU H 1 43 LEU QD 1.800 . 3.500 3.683 3.572 3.727 0.227 8 0 "[ . 1 . 2]" 1
548 1 43 LEU H 1 43 LEU HG 1.800 . 4.300 4.408 4.384 4.665 0.365 13 0 "[ . 1 . 2]" 1
549 1 43 LEU H 1 44 LEU H 1.800 . 3.500 2.637 2.609 2.690 . 0 0 "[ . 1 . 2]" 1
550 1 43 LEU H 1 44 LEU HG 1.800 . 6.000 6.916 6.741 6.995 0.995 10 20 [**-******+**********] 1
551 1 43 LEU H 1 45 LYS H 1.800 . 5.000 4.212 4.155 4.285 . 0 0 "[ . 1 . 2]" 1
552 1 43 LEU HA 1 43 LEU QD 1.800 . 3.500 2.976 1.995 3.091 . 0 0 "[ . 1 . 2]" 1
553 1 43 LEU HA 1 44 LEU H 1.800 . 3.500 3.551 3.540 3.558 0.058 14 0 "[ . 1 . 2]" 1
554 1 43 LEU HA 1 45 LYS H 1.800 . 6.000 4.505 4.445 4.549 . 0 0 "[ . 1 . 2]" 1
555 1 43 LEU HA 1 46 VAL QG 1.800 . 3.500 2.454 2.240 2.668 . 0 0 "[ . 1 . 2]" 1
556 1 43 LEU QB 1 43 LEU QD 1.800 . 2.900 1.858 1.847 1.992 . 0 0 "[ . 1 . 2]" 1
557 1 43 LEU QB 1 44 LEU H 1.800 . 4.300 2.513 2.468 2.578 . 0 0 "[ . 1 . 2]" 1
558 1 43 LEU QB 1 47 ILE MD 1.800 . 5.000 4.080 3.752 4.862 . 0 0 "[ . 1 . 2]" 1
559 1 43 LEU QD 1 43 LEU HG 1.800 . 2.900 1.908 1.890 1.918 . 0 0 "[ . 1 . 2]" 1
560 1 43 LEU QD 1 44 LEU H 1.800 . 5.000 2.898 2.483 3.169 . 0 0 "[ . 1 . 2]" 1
561 1 43 LEU QD 1 44 LEU HA 1.800 . 5.000 2.688 2.470 2.776 . 0 0 "[ . 1 . 2]" 1
562 1 43 LEU QD 1 44 LEU HG 1.800 . 5.000 5.010 4.580 5.124 0.124 3 0 "[ . 1 . 2]" 1
563 1 43 LEU QD 1 68 PHE QB 1.800 . 6.000 3.858 3.090 4.858 . 0 0 "[ . 1 . 2]" 1
564 1 43 LEU MD1 1 68 PHE QD 1.800 . 6.000 3.457 2.749 5.388 . 0 0 "[ . 1 . 2]" 1
565 1 43 LEU MD1 1 68 PHE QE 1.800 . 6.000 2.863 2.256 4.455 . 0 0 "[ . 1 . 2]" 1
566 1 43 LEU HG 1 47 ILE MD 1.800 . 3.500 2.636 2.059 3.677 0.177 13 0 "[ . 1 . 2]" 1
567 1 44 LEU H 1 44 LEU HB2 1.800 . 3.500 2.577 2.537 2.721 . 0 0 "[ . 1 . 2]" 1
568 1 44 LEU H 1 44 LEU HB3 1.800 . 3.500 2.502 2.384 2.540 . 0 0 "[ . 1 . 2]" 1
569 1 44 LEU H 1 44 LEU MD1 1.800 . 5.000 4.116 4.096 4.139 . 0 0 "[ . 1 . 2]" 1
570 1 44 LEU H 1 44 LEU MD2 1.800 . 5.000 4.238 4.230 4.266 . 0 0 "[ . 1 . 2]" 1
571 1 44 LEU H 1 44 LEU HG 1.800 . 3.500 4.405 4.355 4.420 0.920 14 20 [**-**********+******] 1
572 1 44 LEU H 1 45 LYS H 1.800 . 3.500 2.746 2.716 2.790 . 0 0 "[ . 1 . 2]" 1
573 1 44 LEU H 1 45 LYS HA 1.800 . 5.000 5.375 5.354 5.399 0.399 7 0 "[ . 1 . 2]" 1
574 1 44 LEU H 1 46 VAL H 1.800 . 5.000 4.045 4.012 4.082 . 0 0 "[ . 1 . 2]" 1
575 1 44 LEU H 1 46 VAL HB 1.800 . 5.000 5.031 5.012 5.068 0.068 19 0 "[ . 1 . 2]" 1
576 1 44 LEU HA 1 44 LEU MD1 1.800 . 5.000 2.402 2.106 2.494 . 0 0 "[ . 1 . 2]" 1
577 1 44 LEU HA 1 44 LEU MD2 1.800 . 5.000 3.855 3.800 3.870 . 0 0 "[ . 1 . 2]" 1
578 1 44 LEU HA 1 44 LEU HG 1.800 . 3.500 2.782 2.638 3.310 . 0 0 "[ . 1 . 2]" 1
579 1 44 LEU HA 1 45 LYS H 1.800 . 3.500 3.553 3.548 3.566 0.066 7 0 "[ . 1 . 2]" 1
580 1 44 LEU HA 1 47 ILE HB 1.800 . 5.000 3.164 2.797 3.461 . 0 0 "[ . 1 . 2]" 1
581 1 44 LEU HA 1 47 ILE MD 1.800 . 3.500 3.307 2.682 4.348 0.848 6 2 "[ .+ 1 - . 2]" 1
582 1 44 LEU HA 1 47 ILE MG 1.800 . 6.000 4.398 3.984 4.659 . 0 0 "[ . 1 . 2]" 1
583 1 44 LEU QB 1 45 LYS H 1.800 . 5.000 2.418 2.379 2.545 . 0 0 "[ . 1 . 2]" 1
584 1 44 LEU QB 1 45 LYS HA 1.800 . 5.000 4.153 4.111 4.299 . 0 0 "[ . 1 . 2]" 1
585 1 44 LEU QB 1 45 LYS QB 1.800 . 3.500 4.413 4.358 4.542 1.042 3 20 [**+**********-******] 1
586 1 44 LEU HB2 1 44 LEU MD1 1.800 . 3.500 2.209 2.154 2.354 . 0 0 "[ . 1 . 2]" 1
587 1 44 LEU HB2 1 44 LEU MD2 1.800 . 2.900 2.582 2.211 2.679 . 0 0 "[ . 1 . 2]" 1
588 1 44 LEU HB2 1 45 LYS H 1.800 . 3.500 3.812 3.774 3.947 0.447 3 0 "[ . 1 . 2]" 1
589 1 44 LEU HB3 1 44 LEU MD1 1.800 . 2.900 3.121 3.096 3.195 0.295 17 0 "[ . 1 . 2]" 1
590 1 44 LEU HB3 1 44 LEU MD2 1.800 . 2.900 2.205 2.150 2.445 . 0 0 "[ . 1 . 2]" 1
591 1 44 LEU HB3 1 45 LYS H 1.800 . 3.500 2.446 2.405 2.577 . 0 0 "[ . 1 . 2]" 1
592 1 44 LEU QD 1 45 LYS HA 1.800 . 3.500 3.647 3.609 3.770 0.270 3 0 "[ . 1 . 2]" 1
593 1 44 LEU MD1 1 45 LYS H 1.800 . 5.000 4.552 4.089 4.673 . 0 0 "[ . 1 . 2]" 1
594 1 44 LEU MD2 1 45 LYS H 1.800 . 5.000 3.718 3.570 4.266 . 0 0 "[ . 1 . 2]" 1
595 1 44 LEU HG 1 45 LYS H 1.800 . 3.500 3.647 3.272 3.751 0.251 5 0 "[ . 1 . 2]" 1
596 1 45 LYS H 1 45 LYS HA 1.800 . 2.900 2.838 2.831 2.849 . 0 0 "[ . 1 . 2]" 1
597 1 45 LYS H 1 45 LYS HB2 1.800 . 3.500 2.464 2.449 2.477 . 0 0 "[ . 1 . 2]" 1
598 1 45 LYS H 1 45 LYS HB3 1.800 . 3.500 3.605 3.601 3.608 0.108 7 0 "[ . 1 . 2]" 1
599 1 45 LYS H 1 45 LYS QD 1.800 . 4.000 3.853 3.841 3.884 . 0 0 "[ . 1 . 2]" 1
600 1 45 LYS H 1 45 LYS QE 1.800 . 4.000 4.573 4.200 4.903 0.903 5 11 "[ *-*+*** * **. *]" 1
601 1 45 LYS H 1 45 LYS HG2 1.800 . 3.500 3.366 3.339 3.411 . 0 0 "[ . 1 . 2]" 1
602 1 45 LYS H 1 45 LYS HG3 1.800 . 3.500 2.205 2.174 2.265 . 0 0 "[ . 1 . 2]" 1
603 1 45 LYS H 1 46 VAL H 1.800 . 2.900 2.684 2.651 2.703 . 0 0 "[ . 1 . 2]" 1
604 1 45 LYS HA 1 45 LYS HB2 1.800 . 2.900 3.022 3.020 3.025 0.125 20 0 "[ . 1 . 2]" 1
605 1 45 LYS HA 1 45 LYS HB3 1.800 . 2.900 2.506 2.500 2.513 . 0 0 "[ . 1 . 2]" 1
606 1 45 LYS HA 1 45 LYS QD 1.800 . 3.500 3.918 3.913 3.926 0.426 12 0 "[ . 1 . 2]" 1
607 1 45 LYS HA 1 45 LYS HG2 1.800 . 3.500 2.406 2.397 2.423 . 0 0 "[ . 1 . 2]" 1
608 1 45 LYS HA 1 45 LYS HG3 1.800 . 3.500 3.035 3.022 3.047 . 0 0 "[ . 1 . 2]" 1
609 1 45 LYS HA 1 47 ILE H 1.800 . 5.000 4.559 4.329 4.671 . 0 0 "[ . 1 . 2]" 1
610 1 45 LYS HA 1 47 ILE MD 1.800 . 5.000 5.730 5.474 6.167 1.167 12 18 "[** ********+**** -**]" 1
611 1 45 LYS QB 1 46 VAL HA 1.800 . 3.500 3.916 3.902 3.928 0.428 11 0 "[ . 1 . 2]" 1
612 1 45 LYS QB 1 48 ALA H 1.800 . 5.000 4.332 4.194 4.670 . 0 0 "[ . 1 . 2]" 1
613 1 45 LYS HB2 1 45 LYS QD 1.800 . 3.500 2.414 2.407 2.421 . 0 0 "[ . 1 . 2]" 1
614 1 45 LYS HB2 1 45 LYS QE 1.800 . 4.000 4.124 3.961 4.230 0.230 8 0 "[ . 1 . 2]" 1
615 1 45 LYS HB2 1 46 VAL QG 1.800 . 5.000 3.369 3.207 3.494 . 0 0 "[ . 1 . 2]" 1
616 1 45 LYS HB3 1 45 LYS QD 1.800 . 3.500 2.374 2.367 2.378 . 0 0 "[ . 1 . 2]" 1
617 1 45 LYS HB3 1 45 LYS QE 1.800 . 4.000 4.026 3.983 4.185 0.185 7 0 "[ . 1 . 2]" 1
618 1 45 LYS HB3 1 46 VAL QG 1.800 . 5.000 4.199 4.081 4.252 . 0 0 "[ . 1 . 2]" 1
619 1 45 LYS QD 1 45 LYS QE 1.800 . 2.900 2.039 1.937 2.098 . 0 0 "[ . 1 . 2]" 1
620 1 45 LYS QE 1 45 LYS HG2 1.800 . 3.500 2.499 2.355 3.113 . 0 0 "[ . 1 . 2]" 1
621 1 45 LYS QE 1 45 LYS HG3 1.800 . 3.500 2.580 2.251 2.963 . 0 0 "[ . 1 . 2]" 1
622 1 46 VAL H 1 46 VAL HB 1.800 . 3.500 2.436 2.404 2.475 . 0 0 "[ . 1 . 2]" 1
623 1 46 VAL H 1 46 VAL MG1 1.800 . 5.000 3.754 3.747 3.764 . 0 0 "[ . 1 . 2]" 1
624 1 46 VAL H 1 46 VAL MG2 1.800 . 2.900 2.262 2.142 2.391 . 0 0 "[ . 1 . 2]" 1
625 1 46 VAL H 1 47 ILE H 1.800 . 3.500 2.784 2.706 2.853 . 0 0 "[ . 1 . 2]" 1
626 1 46 VAL H 1 47 ILE HA 1.800 . 5.000 5.407 5.335 5.453 0.453 7 0 "[ . 1 . 2]" 1
627 1 46 VAL H 1 48 ALA H 1.800 . 5.000 4.086 3.923 4.486 . 0 0 "[ . 1 . 2]" 1
628 1 46 VAL H 1 49 TRP H 1.800 . 5.000 5.073 4.925 5.122 0.122 11 0 "[ . 1 . 2]" 1
629 1 46 VAL H 1 49 TRP HZ3 1.800 . 5.000 4.794 4.380 4.935 . 0 0 "[ . 1 . 2]" 1
630 1 46 VAL HA 1 46 VAL MG1 1.800 . 3.500 2.372 2.331 2.416 . 0 0 "[ . 1 . 2]" 1
631 1 46 VAL HA 1 46 VAL MG2 1.800 . 3.500 2.323 2.243 2.362 . 0 0 "[ . 1 . 2]" 1
632 1 46 VAL HA 1 47 ILE H 1.800 . 3.500 3.561 3.544 3.574 0.074 7 0 "[ . 1 . 2]" 1
633 1 46 VAL HA 1 47 ILE MD 1.800 . 5.000 4.386 4.316 4.449 . 0 0 "[ . 1 . 2]" 1
634 1 46 VAL HA 1 49 TRP H 1.800 . 6.000 4.031 3.923 4.143 . 0 0 "[ . 1 . 2]" 1
635 1 46 VAL HA 1 49 TRP HB2 1.800 . 6.000 5.875 5.603 5.992 . 0 0 "[ . 1 . 2]" 1
636 1 46 VAL HA 1 49 TRP QB 1.800 . 5.000 4.109 3.858 4.209 . 0 0 "[ . 1 . 2]" 1
637 1 46 VAL HA 1 49 TRP HB3 1.800 . 6.000 4.195 3.931 4.300 . 0 0 "[ . 1 . 2]" 1
638 1 46 VAL HA 1 49 TRP HH2 1.800 . 5.000 4.600 4.316 4.737 . 0 0 "[ . 1 . 2]" 1
639 1 46 VAL HA 1 49 TRP HZ2 1.800 . 5.000 5.970 5.641 6.079 1.079 16 20 [******-********+****] 1
640 1 46 VAL HA 1 49 TRP HZ3 1.800 . 5.000 2.402 2.279 2.667 . 0 0 "[ . 1 . 2]" 1
641 1 46 VAL HB 1 47 ILE H 1.800 . 3.500 2.463 2.388 2.604 . 0 0 "[ . 1 . 2]" 1
642 1 46 VAL QG 1 49 TRP HE3 1.800 . 5.000 3.380 3.304 3.438 . 0 0 "[ . 1 . 2]" 1
643 1 46 VAL QG 1 49 TRP HH2 1.800 . 3.500 3.493 3.378 3.541 0.041 10 0 "[ . 1 . 2]" 1
644 1 47 ILE H 1 47 ILE HA 1.800 . 3.100 2.867 2.847 2.875 . 0 0 "[ . 1 . 2]" 1
645 1 47 ILE H 1 47 ILE HB 1.800 . 3.500 2.309 2.141 2.655 . 0 0 "[ . 1 . 2]" 1
646 1 47 ILE H 1 47 ILE MD 1.800 . 2.900 1.898 1.792 2.392 0.008 13 0 "[ . 1 . 2]" 1
647 1 47 ILE H 1 47 ILE QG 1.800 . 3.500 3.198 2.012 3.554 0.054 19 0 "[ . 1 . 2]" 1
648 1 47 ILE H 1 47 ILE MG 1.800 . 3.500 3.675 3.583 3.735 0.235 6 0 "[ . 1 . 2]" 1
649 1 47 ILE H 1 48 ALA H 1.800 . 3.500 2.671 2.609 2.830 . 0 0 "[ . 1 . 2]" 1
650 1 47 ILE H 1 48 ALA MB 1.800 . 5.000 4.336 4.197 4.498 . 0 0 "[ . 1 . 2]" 1
651 1 47 ILE HA 1 47 ILE MD 1.800 . 3.500 2.716 2.015 3.096 . 0 0 "[ . 1 . 2]" 1
652 1 47 ILE HA 1 47 ILE HG12 1.800 . 3.500 3.516 3.418 3.550 0.050 13 0 "[ . 1 . 2]" 1
653 1 47 ILE HA 1 47 ILE HG13 1.800 . 3.500 2.411 2.238 3.654 0.154 6 0 "[ . 1 . 2]" 1
654 1 47 ILE HA 1 47 ILE MG 1.800 . 3.500 2.481 2.218 2.680 . 0 0 "[ . 1 . 2]" 1
655 1 47 ILE HA 1 48 ALA H 1.800 . 5.000 3.548 3.520 3.584 . 0 0 "[ . 1 . 2]" 1
656 1 47 ILE HA 1 49 TRP H 1.800 . 5.000 4.807 4.683 5.020 0.020 19 0 "[ . 1 . 2]" 1
657 1 47 ILE HA 1 50 LEU H 1.800 . 5.000 4.003 3.810 4.453 . 0 0 "[ . 1 . 2]" 1
658 1 47 ILE HA 1 50 LEU HB2 1.800 . 5.000 4.074 3.603 4.487 . 0 0 "[ . 1 . 2]" 1
659 1 47 ILE HA 1 50 LEU HB3 1.800 . 3.500 2.827 2.600 3.756 0.256 19 0 "[ . 1 . 2]" 1
660 1 47 ILE HA 1 51 GLU H 1.800 . 5.000 3.376 3.194 3.730 . 0 0 "[ . 1 . 2]" 1
661 1 47 ILE HB 1 48 ALA H 1.800 . 4.000 2.841 2.578 2.998 . 0 0 "[ . 1 . 2]" 1
662 1 47 ILE HB 1 48 ALA MB 1.800 . 5.000 4.219 3.915 4.384 . 0 0 "[ . 1 . 2]" 1
663 1 47 ILE MD 1 48 ALA H 1.800 . 5.000 3.997 3.852 4.262 . 0 0 "[ . 1 . 2]" 1
664 1 47 ILE MD 1 58 ALA MB 1.800 . 5.000 4.324 3.886 5.085 0.085 17 0 "[ . 1 . 2]" 1
665 1 47 ILE MD 1 63 LEU QB 1.800 . 6.000 3.221 2.216 3.940 . 0 0 "[ . 1 . 2]" 1
666 1 47 ILE MD 1 63 LEU QD 1.800 . 5.000 2.550 1.879 3.954 . 0 0 "[ . 1 . 2]" 1
667 1 47 ILE QG 1 48 ALA H 1.800 . 5.000 4.494 3.841 4.653 . 0 0 "[ . 1 . 2]" 1
668 1 47 ILE QG 1 51 GLU QG 1.800 . 6.000 5.008 3.086 5.792 . 0 0 "[ . 1 . 2]" 1
669 1 47 ILE HG12 1 47 ILE MG 1.800 . 3.500 2.279 2.038 3.153 . 0 0 "[ . 1 . 2]" 1
670 1 47 ILE HG13 1 47 ILE MG 1.800 . 3.500 2.504 2.151 2.655 . 0 0 "[ . 1 . 2]" 1
671 1 47 ILE MG 1 48 ALA H 1.800 . 5.000 3.204 2.462 3.710 . 0 0 "[ . 1 . 2]" 1
672 1 47 ILE MG 1 51 GLU QB 1.800 . 3.500 2.374 2.124 2.759 . 0 0 "[ . 1 . 2]" 1
673 1 47 ILE MG 1 51 GLU QG 1.800 . 6.000 2.944 2.170 3.662 . 0 0 "[ . 1 . 2]" 1
674 1 47 ILE MG 1 58 ALA HA 1.800 . 6.000 3.936 3.598 4.501 . 0 0 "[ . 1 . 2]" 1
675 1 47 ILE MG 1 58 ALA MB 1.800 . 5.000 2.080 1.797 2.909 0.003 9 0 "[ . 1 . 2]" 1
676 1 48 ALA H 1 48 ALA MB 1.800 . 3.500 2.189 2.031 2.253 . 0 0 "[ . 1 . 2]" 1
677 1 48 ALA H 1 49 TRP H 1.800 . 2.900 2.855 2.828 2.877 . 0 0 "[ . 1 . 2]" 1
678 1 48 ALA H 1 49 TRP QB 1.800 . 5.000 4.698 4.666 4.741 . 0 0 "[ . 1 . 2]" 1
679 1 48 ALA HA 1 49 TRP H 1.800 . 5.000 3.603 3.599 3.608 . 0 0 "[ . 1 . 2]" 1
680 1 48 ALA HA 1 51 GLU H 1.800 . 5.000 4.157 4.076 4.219 . 0 0 "[ . 1 . 2]" 1
681 1 48 ALA HA 1 51 GLU QB 1.800 . 5.000 4.068 3.195 4.266 . 0 0 "[ . 1 . 2]" 1
682 1 48 ALA HA 1 51 GLU QG 1.800 . 5.000 2.837 2.476 4.218 . 0 0 "[ . 1 . 2]" 1
683 1 48 ALA MB 1 49 TRP H 1.800 . 3.500 2.402 2.325 2.537 . 0 0 "[ . 1 . 2]" 1
684 1 48 ALA MB 1 50 LEU QD 1.800 . 5.000 6.100 5.933 6.185 1.185 19 20 [*********-********+*] 1
685 1 49 TRP H 1 49 TRP HB2 1.800 . 3.500 3.391 3.279 3.431 . 0 0 "[ . 1 . 2]" 1
686 1 49 TRP H 1 49 TRP HB3 1.800 . 3.500 2.152 2.131 2.167 . 0 0 "[ . 1 . 2]" 1
687 1 49 TRP H 1 50 LEU H 1.800 . 2.900 2.532 2.468 2.731 . 0 0 "[ . 1 . 2]" 1
688 1 49 TRP H 1 50 LEU QD 1.800 . 3.500 5.371 5.203 5.454 1.954 4 20 [***+********-*******] 1
689 1 49 TRP HA 1 49 TRP HE1 1.800 . 5.000 5.570 5.451 5.644 0.644 13 18 "[*****-**** *+***** *]" 1
690 1 49 TRP HA 1 49 TRP HE3 1.800 . 5.000 5.009 4.946 5.067 0.067 19 0 "[ . 1 . 2]" 1
691 1 49 TRP HA 1 50 LEU H 1.800 . 5.000 3.561 3.547 3.593 . 0 0 "[ . 1 . 2]" 1
692 1 49 TRP HA 1 51 GLU H 1.800 . 3.500 4.440 4.390 4.552 1.052 19 20 [****-*************+*] 1
693 1 49 TRP HA 1 52 ASP HB2 1.800 . 3.500 3.091 2.939 3.195 . 0 0 "[ . 1 . 2]" 1
694 1 49 TRP HA 1 52 ASP HB3 1.800 . 3.500 2.628 2.410 2.782 . 0 0 "[ . 1 . 2]" 1
695 1 49 TRP QB 1 50 LEU H 1.800 . 3.500 3.007 2.919 3.099 . 0 0 "[ . 1 . 2]" 1
696 1 49 TRP QB 1 50 LEU HA 1.800 . 6.000 4.630 4.595 4.664 . 0 0 "[ . 1 . 2]" 1
697 1 49 TRP QB 1 51 GLU H 1.800 . 5.000 5.057 5.027 5.083 0.083 4 0 "[ . 1 . 2]" 1
698 1 49 TRP HE1 1 53 ARG HB2 1.800 . 5.000 4.407 4.022 4.675 . 0 0 "[ . 1 . 2]" 1
699 1 49 TRP HE1 1 53 ARG HB3 1.800 . 5.000 4.725 3.713 5.043 0.043 16 0 "[ . 1 . 2]" 1
700 1 49 TRP HE1 1 53 ARG HD2 1.800 . 6.000 2.623 1.764 4.534 0.036 14 0 "[ . 1 . 2]" 1
701 1 49 TRP HE1 1 53 ARG HD3 1.800 . 6.000 2.538 1.764 4.698 0.036 5 0 "[ . 1 . 2]" 1
702 1 49 TRP HE1 1 53 ARG HG2 1.800 . 5.000 3.957 3.124 4.265 . 0 0 "[ . 1 . 2]" 1
703 1 49 TRP HE1 1 53 ARG HG3 1.800 . 5.000 3.281 2.041 4.843 . 0 0 "[ . 1 . 2]" 1
704 1 49 TRP HE3 1 50 LEU HA 1.800 . 5.000 5.041 4.850 5.117 0.117 7 0 "[ . 1 . 2]" 1
705 1 49 TRP HE3 1 50 LEU QD 1.800 . 5.000 4.645 4.174 5.104 0.104 12 0 "[ . 1 . 2]" 1
706 1 49 TRP HH2 1 50 LEU QD 1.800 . 5.000 3.586 3.146 4.205 . 0 0 "[ . 1 . 2]" 1
707 1 49 TRP HZ3 1 50 LEU QD 1.800 . 5.000 4.326 3.975 5.040 0.040 12 0 "[ . 1 . 2]" 1
708 1 50 LEU H 1 50 LEU HB2 1.800 . 3.500 2.419 2.241 2.525 . 0 0 "[ . 1 . 2]" 1
709 1 50 LEU H 1 50 LEU HB3 1.800 . 3.500 2.671 2.557 2.948 . 0 0 "[ . 1 . 2]" 1
710 1 50 LEU H 1 50 LEU QD 1.800 . 2.900 3.568 3.293 3.745 0.845 5 17 "[****+-****** ** ** *]" 1
711 1 50 LEU H 1 50 LEU HG 1.800 . 3.500 4.491 4.377 4.644 1.144 12 20 [****-******+********] 1
712 1 50 LEU H 1 51 GLU H 1.800 . 3.500 2.803 2.751 2.840 . 0 0 "[ . 1 . 2]" 1
713 1 50 LEU H 1 52 ASP H 1.800 . 5.000 4.115 4.023 4.178 . 0 0 "[ . 1 . 2]" 1
714 1 50 LEU H 1 53 ARG H 1.800 . 5.000 4.960 4.833 5.026 0.026 10 0 "[ . 1 . 2]" 1
715 1 50 LEU HA 1 50 LEU QD 1.800 . 3.500 2.213 1.927 3.044 . 0 0 "[ . 1 . 2]" 1
716 1 50 LEU HA 1 51 GLU H 1.800 . 5.000 3.572 3.566 3.597 . 0 0 "[ . 1 . 2]" 1
717 1 50 LEU HA 1 52 ASP QB 1.800 . 5.000 5.069 4.983 5.103 0.103 13 0 "[ . 1 . 2]" 1
718 1 50 LEU HA 1 53 ARG H 1.800 . 5.000 3.736 3.540 3.805 . 0 0 "[ . 1 . 2]" 1
719 1 50 LEU HA 1 53 ARG HB2 1.800 . 5.000 3.567 3.075 5.146 0.146 13 0 "[ . 1 . 2]" 1
720 1 50 LEU HA 1 53 ARG HB3 1.800 . 5.000 4.855 4.090 5.034 0.034 17 0 "[ . 1 . 2]" 1
721 1 50 LEU HA 1 53 ARG QD 1.800 . 5.000 3.582 2.189 5.033 0.033 12 0 "[ . 1 . 2]" 1
722 1 50 LEU HA 1 54 PHE H 1.800 . 5.000 4.978 4.431 5.102 0.102 4 0 "[ . 1 . 2]" 1
723 1 50 LEU QB 1 51 GLU H 1.800 . 5.000 2.512 2.432 2.540 . 0 0 "[ . 1 . 2]" 1
724 1 50 LEU QB 1 56 ILE MD 1.800 . 5.000 4.982 4.670 5.058 0.058 4 0 "[ . 1 . 2]" 1
725 1 50 LEU QB 1 78 VAL QG 1.800 . 6.000 3.770 3.527 4.073 . 0 0 "[ . 1 . 2]" 1
726 1 50 LEU HB2 1 50 LEU QD 1.800 . 2.900 2.085 2.031 2.366 . 0 0 "[ . 1 . 2]" 1
727 1 50 LEU HB2 1 50 LEU HG 1.800 . 2.900 2.878 2.380 3.024 0.124 3 0 "[ . 1 . 2]" 1
728 1 50 LEU HB3 1 50 LEU QD 1.800 . 2.900 2.175 2.054 2.389 . 0 0 "[ . 1 . 2]" 1
729 1 50 LEU HB3 1 50 LEU HG 1.800 . 2.900 2.578 2.382 2.967 0.067 5 0 "[ . 1 . 2]" 1
730 1 50 LEU QD 1 50 LEU HG 1.800 . 2.900 1.887 1.879 1.910 . 0 0 "[ . 1 . 2]" 1
731 1 50 LEU QD 1 51 GLU H 1.800 . 3.500 3.676 2.772 3.937 0.437 6 0 "[ . 1 . 2]" 1
732 1 50 LEU QD 1 78 VAL MG1 1.800 . 6.000 2.823 2.011 3.303 . 0 0 "[ . 1 . 2]" 1
733 1 50 LEU QD 1 78 VAL MG2 1.800 . 6.000 1.822 1.717 2.111 0.083 6 0 "[ . 1 . 2]" 1
734 1 51 GLU H 1 51 GLU QB 1.800 . 3.500 2.372 2.338 2.422 . 0 0 "[ . 1 . 2]" 1
735 1 51 GLU H 1 51 GLU QG 1.800 . 3.500 2.341 2.153 3.121 . 0 0 "[ . 1 . 2]" 1
736 1 51 GLU H 1 52 ASP H 1.800 . 5.000 2.551 2.482 2.681 . 0 0 "[ . 1 . 2]" 1
737 1 51 GLU H 1 52 ASP QB 1.800 . 5.000 4.315 4.244 4.455 . 0 0 "[ . 1 . 2]" 1
738 1 51 GLU H 1 53 ARG H 1.800 . 5.000 4.234 4.178 4.296 . 0 0 "[ . 1 . 2]" 1
739 1 51 GLU H 1 54 PHE H 1.800 . 5.000 5.261 5.083 5.403 0.403 4 0 "[ . 1 . 2]" 1
740 1 51 GLU HA 1 51 GLU QG 1.800 . 3.500 3.265 2.717 3.418 . 0 0 "[ . 1 . 2]" 1
741 1 51 GLU HA 1 52 ASP H 1.800 . 5.000 3.539 3.522 3.555 . 0 0 "[ . 1 . 2]" 1
742 1 51 GLU HA 1 54 PHE H 1.800 . 5.000 3.584 3.469 3.731 . 0 0 "[ . 1 . 2]" 1
743 1 51 GLU HA 1 56 ILE H 1.800 . 6.000 3.504 3.037 3.918 . 0 0 "[ . 1 . 2]" 1
744 1 51 GLU HA 1 56 ILE HB 1.800 . 5.000 5.003 4.811 5.063 0.063 2 0 "[ . 1 . 2]" 1
745 1 51 GLU HA 1 56 ILE QG 1.800 . 6.000 2.284 2.196 2.383 . 0 0 "[ . 1 . 2]" 1
746 1 51 GLU HA 1 56 ILE MG 1.800 . 6.000 4.441 4.261 4.720 . 0 0 "[ . 1 . 2]" 1
747 1 51 GLU QB 1 51 GLU QG 1.800 . 2.900 2.053 1.953 2.092 . 0 0 "[ . 1 . 2]" 1
748 1 51 GLU QB 1 52 ASP H 1.800 . 3.500 3.313 2.595 3.459 . 0 0 "[ . 1 . 2]" 1
749 1 51 GLU QB 1 56 ILE H 1.800 . 4.300 3.659 3.375 4.140 . 0 0 "[ . 1 . 2]" 1
750 1 51 GLU QB 1 57 ALA H 1.800 . 5.000 4.852 4.593 5.043 0.043 16 0 "[ . 1 . 2]" 1
751 1 51 GLU QB 1 57 ALA HA 1.800 . 5.000 3.488 2.891 3.858 . 0 0 "[ . 1 . 2]" 1
752 1 51 GLU QB 1 58 ALA HA 1.800 . 4.300 4.314 3.824 4.483 0.183 3 0 "[ . 1 . 2]" 1
753 1 52 ASP H 1 52 ASP HB2 1.800 . 3.500 2.432 2.414 2.460 . 0 0 "[ . 1 . 2]" 1
754 1 52 ASP H 1 52 ASP HB3 1.800 . 3.500 2.642 2.589 2.663 . 0 0 "[ . 1 . 2]" 1
755 1 52 ASP H 1 53 ARG H 1.800 . 2.900 2.765 2.697 2.794 . 0 0 "[ . 1 . 2]" 1
756 1 52 ASP HA 1 52 ASP HB2 1.800 . 2.900 2.510 2.494 2.519 . 0 0 "[ . 1 . 2]" 1
757 1 52 ASP HA 1 52 ASP HB3 1.800 . 2.900 3.017 3.013 3.019 0.119 16 0 "[ . 1 . 2]" 1
758 1 52 ASP HA 1 53 ARG H 1.800 . 3.500 3.551 3.538 3.575 0.075 13 0 "[ . 1 . 2]" 1
759 1 52 ASP HB2 1 53 ARG H 1.800 . 5.000 3.852 3.833 3.888 . 0 0 "[ . 1 . 2]" 1
760 1 52 ASP HB3 1 53 ARG H 1.800 . 3.500 2.619 2.576 2.671 . 0 0 "[ . 1 . 2]" 1
761 1 53 ARG H 1 53 ARG HB2 1.800 . 3.500 2.556 2.371 3.615 0.115 13 0 "[ . 1 . 2]" 1
762 1 53 ARG H 1 53 ARG HB3 1.800 . 3.500 3.498 2.459 3.607 0.107 4 0 "[ . 1 . 2]" 1
763 1 53 ARG H 1 53 ARG HD2 1.800 . 6.000 4.565 3.908 4.989 . 0 0 "[ . 1 . 2]" 1
764 1 53 ARG H 1 53 ARG HD3 1.800 . 6.000 4.237 3.739 4.828 . 0 0 "[ . 1 . 2]" 1
765 1 53 ARG H 1 53 ARG HG2 1.800 . 3.500 3.010 1.786 3.499 0.014 18 0 "[ . 1 . 2]" 1
766 1 53 ARG H 1 53 ARG HG3 1.800 . 3.500 2.558 2.193 3.558 0.058 13 0 "[ . 1 . 2]" 1
767 1 53 ARG H 1 54 PHE H 1.800 . 2.900 2.813 2.705 2.859 . 0 0 "[ . 1 . 2]" 1
768 1 53 ARG HA 1 53 ARG HB2 1.800 . 2.900 2.958 2.378 3.018 0.118 6 0 "[ . 1 . 2]" 1
769 1 53 ARG HA 1 53 ARG HD2 1.800 . 5.000 4.213 2.256 4.757 . 0 0 "[ . 1 . 2]" 1
770 1 53 ARG HA 1 53 ARG HD3 1.800 . 5.000 4.256 2.237 5.505 0.505 18 1 "[ . 1 . + 2]" 1
771 1 53 ARG HA 1 54 PHE H 1.800 . 5.000 3.573 3.559 3.587 . 0 0 "[ . 1 . 2]" 1
772 1 53 ARG HB2 1 54 PHE H 1.800 . 5.000 2.846 2.676 3.953 . 0 0 "[ . 1 . 2]" 1
773 1 53 ARG HB3 1 54 PHE H 1.800 . 3.500 3.695 3.582 4.142 0.642 18 1 "[ . 1 . + 2]" 1
774 1 54 PHE H 1 54 PHE HB2 1.800 . 3.500 2.375 2.205 2.415 . 0 0 "[ . 1 . 2]" 1
775 1 54 PHE H 1 54 PHE HB3 1.800 . 3.500 3.624 3.500 3.655 0.155 16 0 "[ . 1 . 2]" 1
776 1 54 PHE H 1 55 GLY QA 1.800 . 5.000 4.273 4.113 4.402 . 0 0 "[ . 1 . 2]" 1
777 1 54 PHE H 1 56 ILE H 1.800 . 3.500 3.597 3.516 3.671 0.171 13 0 "[ . 1 . 2]" 1
778 1 54 PHE QB 1 78 VAL QG 1.800 . 6.000 3.512 2.883 4.303 . 0 0 "[ . 1 . 2]" 1
779 1 54 PHE HB2 1 55 GLY H 1.800 . 5.000 3.410 3.305 3.618 . 0 0 "[ . 1 . 2]" 1
780 1 54 PHE HB2 1 56 ILE H 1.800 . 5.000 3.180 3.066 3.497 . 0 0 "[ . 1 . 2]" 1
781 1 54 PHE HB2 1 56 ILE MD 1.800 . 3.500 2.547 2.354 2.763 . 0 0 "[ . 1 . 2]" 1
782 1 54 PHE HB2 1 56 ILE QG 1.800 . 3.500 2.311 2.253 2.449 . 0 0 "[ . 1 . 2]" 1
783 1 54 PHE HB2 1 56 ILE MG 1.800 . 3.500 2.619 2.389 3.365 . 0 0 "[ . 1 . 2]" 1
784 1 54 PHE HB2 1 78 VAL HA 1.800 . 6.000 6.074 6.043 6.129 0.129 17 0 "[ . 1 . 2]" 1
785 1 54 PHE HB2 1 82 THR MG 1.800 . 5.000 4.456 4.083 4.756 . 0 0 "[ . 1 . 2]" 1
786 1 54 PHE HB3 1 55 GLY H 1.800 . 5.000 4.092 3.789 4.174 . 0 0 "[ . 1 . 2]" 1
787 1 54 PHE HB3 1 56 ILE H 1.800 . 5.000 3.887 3.229 4.032 . 0 0 "[ . 1 . 2]" 1
788 1 54 PHE HB3 1 56 ILE MD 1.800 . 3.500 3.027 2.363 3.454 . 0 0 "[ . 1 . 2]" 1
789 1 54 PHE HB3 1 56 ILE QG 1.800 . 3.500 3.361 2.454 3.527 0.027 20 0 "[ . 1 . 2]" 1
790 1 54 PHE HB3 1 56 ILE MG 1.800 . 3.500 2.203 2.153 2.320 . 0 0 "[ . 1 . 2]" 1
791 1 54 PHE HB3 1 82 THR MG 1.800 . 5.000 3.460 3.109 3.792 . 0 0 "[ . 1 . 2]" 1
792 1 55 GLY H 1 56 ILE H 1.800 . 2.900 2.474 2.365 2.526 . 0 0 "[ . 1 . 2]" 1
793 1 55 GLY H 1 56 ILE HA 1.800 . 5.000 5.167 5.113 5.192 0.192 10 0 "[ . 1 . 2]" 1
794 1 55 GLY QA 1 57 ALA H 1.800 . 5.000 5.667 5.128 5.772 0.772 13 18 "[****.***-***+** ****]" 1
795 1 56 ILE H 1 56 ILE MD 1.800 . 3.500 3.604 3.543 3.629 0.129 11 0 "[ . 1 . 2]" 1
796 1 56 ILE H 1 56 ILE QG 1.800 . 3.500 1.866 1.755 1.904 0.045 16 0 "[ . 1 . 2]" 1
797 1 56 ILE H 1 56 ILE MG 1.800 . 3.500 2.554 2.480 2.684 . 0 0 "[ . 1 . 2]" 1
798 1 56 ILE H 1 57 ALA H 1.800 . 5.000 4.559 4.485 4.586 . 0 0 "[ . 1 . 2]" 1
799 1 56 ILE HA 1 56 ILE MD 1.800 . 4.300 4.130 4.110 4.135 . 0 0 "[ . 1 . 2]" 1
800 1 56 ILE HA 1 56 ILE QG 1.800 . 3.500 3.296 3.282 3.299 . 0 0 "[ . 1 . 2]" 1
801 1 56 ILE HA 1 56 ILE MG 1.800 . 3.500 2.350 2.270 2.383 . 0 0 "[ . 1 . 2]" 1
802 1 56 ILE HA 1 57 ALA H 1.800 . 2.900 2.320 2.184 2.347 . 0 0 "[ . 1 . 2]" 1
803 1 56 ILE HA 1 57 ALA MB 1.800 . 3.500 3.968 3.892 4.068 0.568 5 6 "[ * + 1 * * * -]" 1
804 1 56 ILE HB 1 56 ILE MD 1.800 . 2.900 2.346 2.294 2.381 . 0 0 "[ . 1 . 2]" 1
805 1 56 ILE MD 1 56 ILE QG 1.800 . 2.900 1.909 1.877 1.915 . 0 0 "[ . 1 . 2]" 1
806 1 56 ILE MD 1 78 VAL HA 1.800 . 5.000 3.919 3.493 4.473 . 0 0 "[ . 1 . 2]" 1
807 1 56 ILE MD 1 78 VAL QG 1.800 . 5.000 3.097 2.394 4.056 . 0 0 "[ . 1 . 2]" 1
808 1 56 ILE MD 1 82 THR MG 1.800 . 3.500 3.522 3.483 3.545 0.045 2 0 "[ . 1 . 2]" 1
809 1 56 ILE QG 1 56 ILE MG 1.800 . 2.900 2.310 2.267 2.339 . 0 0 "[ . 1 . 2]" 1
810 1 56 ILE MG 1 78 VAL QG 1.800 . 6.000 4.388 3.629 5.343 . 0 0 "[ . 1 . 2]" 1
811 1 57 ALA H 1 57 ALA MB 1.800 . 3.500 2.262 2.067 2.376 . 0 0 "[ . 1 . 2]" 1
812 1 57 ALA H 1 58 ALA H 1.800 . 3.500 4.531 4.385 4.650 1.150 16 20 [********-******+****] 1
813 1 57 ALA H 1 58 ALA HA 1.800 . 5.000 5.264 5.120 5.603 0.603 16 2 "[ - 1 .+ 2]" 1
814 1 57 ALA H 1 58 ALA MB 1.800 . 5.000 5.724 5.580 5.909 0.909 16 20 [********-******+****] 1
815 1 57 ALA HA 1 58 ALA H 1.800 . 3.500 2.234 2.186 2.359 . 0 0 "[ . 1 . 2]" 1
816 1 58 ALA H 1 58 ALA MB 1.800 . 4.000 2.107 2.045 2.254 . 0 0 "[ . 1 . 2]" 1
817 1 58 ALA H 1 59 ASP H 1.800 . 3.500 2.603 2.558 2.684 . 0 0 "[ . 1 . 2]" 1
818 1 58 ALA HA 1 59 ASP H 1.800 . 3.500 3.499 3.455 3.519 0.019 16 0 "[ . 1 . 2]" 1
819 1 58 ALA MB 1 59 ASP H 1.800 . 3.500 2.848 2.711 2.989 . 0 0 "[ . 1 . 2]" 1
820 1 58 ALA MB 1 60 ASP H 1.800 . 5.000 4.255 2.618 4.565 . 0 0 "[ . 1 . 2]" 1
821 1 59 ASP H 1 59 ASP QB 1.800 . 2.900 2.453 2.250 2.975 0.075 17 0 "[ . 1 . 2]" 1
822 1 59 ASP H 1 60 ASP H 1.800 . 2.900 2.755 2.647 2.797 . 0 0 "[ . 1 . 2]" 1
823 1 59 ASP H 1 60 ASP HA 1.800 . 5.000 5.320 4.961 5.403 0.403 13 0 "[ . 1 . 2]" 1
824 1 59 ASP H 1 60 ASP QB 1.800 . 5.000 4.792 4.502 5.259 0.259 12 0 "[ . 1 . 2]" 1
825 1 59 ASP H 1 61 VAL H 1.800 . 5.000 4.409 4.324 4.528 . 0 0 "[ . 1 . 2]" 1
826 1 59 ASP H 1 61 VAL QG 1.800 . 6.000 5.353 4.483 6.001 0.001 7 0 "[ . 1 . 2]" 1
827 1 59 ASP HA 1 60 ASP H 1.800 . 3.500 3.431 2.823 3.544 0.044 11 0 "[ . 1 . 2]" 1
828 1 59 ASP QB 1 60 ASP H 1.800 . 3.500 2.886 2.599 3.888 0.388 12 0 "[ . 1 . 2]" 1
829 1 60 ASP H 1 60 ASP QB 1.800 . 3.500 2.517 2.253 3.251 . 0 0 "[ . 1 . 2]" 1
830 1 60 ASP H 1 61 VAL H 1.800 . 3.500 2.808 2.734 2.930 . 0 0 "[ . 1 . 2]" 1
831 1 60 ASP H 1 61 VAL QG 1.800 . 3.500 4.226 3.816 4.486 0.986 13 16 "[***** ***1* +-*** **]" 1
832 1 60 ASP HA 1 60 ASP HB2 1.800 . 2.900 2.867 2.471 3.020 0.120 11 0 "[ . 1 . 2]" 1
833 1 60 ASP HA 1 60 ASP HB3 1.800 . 2.900 2.639 2.453 3.019 0.119 20 0 "[ . 1 . 2]" 1
834 1 60 ASP HA 1 61 VAL H 1.800 . 2.900 3.432 2.756 3.554 0.654 10 17 "[***** ***+* *-** ***]" 1
835 1 60 ASP QB 1 61 VAL H 1.800 . 5.000 2.827 2.545 3.894 . 0 0 "[ . 1 . 2]" 1
836 1 61 VAL H 1 61 VAL HB 1.800 . 3.500 2.995 2.657 3.774 0.274 10 0 "[ . 1 . 2]" 1
837 1 61 VAL H 1 61 VAL QG 1.800 . 3.500 2.358 1.826 2.774 . 0 0 "[ . 1 . 2]" 1
838 1 61 VAL H 1 62 GLU H 1.800 . 5.000 4.419 4.377 4.491 . 0 0 "[ . 1 . 2]" 1
839 1 61 VAL HA 1 61 VAL HB 1.800 . 2.900 2.761 2.477 3.025 0.125 6 0 "[ . 1 . 2]" 1
840 1 61 VAL HA 1 61 VAL QG 1.800 . 3.500 2.132 2.023 2.320 . 0 0 "[ . 1 . 2]" 1
841 1 61 VAL HA 1 62 GLU H 1.800 . 2.900 2.257 2.218 2.380 . 0 0 "[ . 1 . 2]" 1
842 1 61 VAL HB 1 61 VAL QG 1.800 . 2.900 1.898 1.884 1.912 . 0 0 "[ . 1 . 2]" 1
843 1 61 VAL HB 1 62 GLU H 1.800 . 5.000 3.976 2.676 4.203 . 0 0 "[ . 1 . 2]" 1
844 1 61 VAL QG 1 62 GLU H 1.800 . 3.500 2.402 2.008 3.323 . 0 0 "[ . 1 . 2]" 1
845 1 62 GLU H 1 62 GLU QG 1.800 . 3.500 3.692 2.270 4.034 0.534 11 16 "[*** ** ***+** -** **]" 1
846 1 62 GLU H 1 63 LEU H 1.800 . 4.300 4.534 4.476 4.608 0.308 14 0 "[ . 1 . 2]" 1
847 1 62 GLU HA 1 62 GLU HG2 1.800 . 3.500 2.832 2.447 2.930 . 0 0 "[ . 1 . 2]" 1
848 1 62 GLU HA 1 62 GLU HG3 1.800 . 3.500 2.607 2.485 3.087 . 0 0 "[ . 1 . 2]" 1
849 1 62 GLU HA 1 63 LEU H 1.800 . 2.900 2.213 2.196 2.248 . 0 0 "[ . 1 . 2]" 1
850 1 62 GLU QB 1 63 LEU H 1.800 . 3.500 3.622 3.012 3.785 0.285 13 0 "[ . 1 . 2]" 1
851 1 62 GLU QB 1 64 SER H 1.800 . 6.000 5.632 5.220 5.842 . 0 0 "[ . 1 . 2]" 1
852 1 62 GLU HB2 1 62 GLU HG2 1.800 . 2.900 3.022 3.021 3.023 0.123 13 0 "[ . 1 . 2]" 1
853 1 62 GLU HB2 1 62 GLU HG3 1.800 . 2.900 2.432 2.430 2.438 . 0 0 "[ . 1 . 2]" 1
854 1 62 GLU HB3 1 62 GLU HG2 1.800 . 2.900 2.483 2.476 2.485 . 0 0 "[ . 1 . 2]" 1
855 1 62 GLU HB3 1 62 GLU HG3 1.800 . 2.900 3.020 3.019 3.021 0.121 4 0 "[ . 1 . 2]" 1
856 1 62 GLU HG2 1 63 LEU QD 1.800 . 5.000 4.749 4.126 4.980 . 0 0 "[ . 1 . 2]" 1
857 1 62 GLU HG3 1 63 LEU QD 1.800 . 5.000 5.259 4.441 5.369 0.369 14 0 "[ . 1 . 2]" 1
858 1 63 LEU H 1 63 LEU HA 1.800 . 2.900 2.961 2.951 2.973 0.073 7 0 "[ . 1 . 2]" 1
859 1 63 LEU H 1 63 LEU HB2 1.800 . 3.500 2.520 2.350 2.573 . 0 0 "[ . 1 . 2]" 1
860 1 63 LEU H 1 63 LEU HB3 1.800 . 3.500 3.665 3.612 3.689 0.189 19 0 "[ . 1 . 2]" 1
861 1 63 LEU H 1 63 LEU QD 1.800 . 3.500 2.800 1.894 3.130 . 0 0 "[ . 1 . 2]" 1
862 1 63 LEU H 1 63 LEU HG 1.800 . 3.500 2.645 2.295 3.966 0.466 16 0 "[ . 1 . 2]" 1
863 1 63 LEU H 1 64 SER H 1.800 . 4.300 4.552 4.518 4.597 0.297 17 0 "[ . 1 . 2]" 1
864 1 63 LEU HA 1 63 LEU MD1 1.800 . 3.500 3.600 2.080 3.790 0.290 1 0 "[ . 1 . 2]" 1
865 1 63 LEU HA 1 63 LEU MD2 1.800 . 3.500 2.351 2.039 3.489 . 0 0 "[ . 1 . 2]" 1
866 1 63 LEU HA 1 63 LEU HG 1.800 . 3.500 3.020 2.281 3.641 0.141 16 0 "[ . 1 . 2]" 1
867 1 63 LEU HA 1 64 SER H 1.800 . 2.900 2.251 2.214 2.299 . 0 0 "[ . 1 . 2]" 1
868 1 63 LEU QB 1 64 SER QB 1.800 . 5.000 4.727 4.613 4.974 . 0 0 "[ . 1 . 2]" 1
869 1 63 LEU HB2 1 63 LEU MD1 1.800 . 3.500 2.370 2.153 3.185 . 0 0 "[ . 1 . 2]" 1
870 1 63 LEU HB2 1 63 LEU MD2 1.800 . 3.500 3.035 2.346 3.193 . 0 0 "[ . 1 . 2]" 1
871 1 63 LEU HB2 1 63 LEU HG 1.800 . 2.900 2.543 2.419 2.987 0.087 4 0 "[ . 1 . 2]" 1
872 1 63 LEU HB2 1 64 SER H 1.800 . 3.500 4.014 3.890 4.242 0.742 16 9 "[* *- * * *.+ * *]" 1
873 1 63 LEU HB3 1 63 LEU MD1 1.800 . 3.500 2.466 2.220 3.138 . 0 0 "[ . 1 . 2]" 1
874 1 63 LEU HB3 1 63 LEU MD2 1.800 . 3.500 2.337 2.165 3.196 . 0 0 "[ . 1 . 2]" 1
875 1 63 LEU HB3 1 63 LEU HG 1.800 . 2.900 2.923 2.493 3.019 0.119 3 0 "[ . 1 . 2]" 1
876 1 63 LEU HB3 1 64 SER H 1.800 . 3.500 3.084 2.936 3.214 . 0 0 "[ . 1 . 2]" 1
877 1 63 LEU QD 1 64 SER H 1.800 . 3.500 3.588 3.074 4.187 0.687 14 4 "[ -. * 1 +. * 2]" 1
878 1 64 SER H 1 64 SER HA 1.800 . 2.900 2.973 2.934 2.982 0.082 5 0 "[ . 1 . 2]" 1
879 1 64 SER H 1 64 SER HB2 1.800 . 3.500 3.345 2.376 3.593 0.093 6 0 "[ . 1 . 2]" 1
880 1 64 SER H 1 64 SER HB3 1.800 . 2.900 2.449 2.221 3.052 0.152 11 0 "[ . 1 . 2]" 1
881 1 64 SER H 1 65 PRO QG 1.800 . 5.000 6.030 6.001 6.106 1.106 6 20 [****-+**************] 1
882 1 64 SER H 1 66 GLU QG 1.800 . 6.000 6.049 6.003 6.130 0.130 12 0 "[ . 1 . 2]" 1
883 1 64 SER H 1 68 PHE QD 1.800 . 5.000 4.889 4.733 5.036 0.036 6 0 "[ . 1 . 2]" 1
884 1 64 SER H 1 68 PHE QE 1.800 . 3.500 3.561 3.507 3.600 0.100 1 0 "[ . 1 . 2]" 1
885 1 64 SER H 1 68 PHE HZ 1.800 . 6.000 5.336 5.200 5.451 . 0 0 "[ . 1 . 2]" 1
886 1 64 SER HA 1 64 SER HB2 1.800 . 2.900 2.351 2.255 2.778 . 0 0 "[ . 1 . 2]" 1
887 1 64 SER HA 1 64 SER HB3 1.800 . 2.900 2.888 2.388 2.951 0.051 3 0 "[ . 1 . 2]" 1
888 1 64 SER HA 1 65 PRO QD 1.800 . 3.500 2.115 2.079 2.141 . 0 0 "[ . 1 . 2]" 1
889 1 64 SER HA 1 66 GLU H 1.800 . 4.300 4.051 3.967 4.104 . 0 0 "[ . 1 . 2]" 1
890 1 64 SER QB 1 67 HIS QB 1.800 . 6.000 3.920 3.580 4.469 . 0 0 "[ . 1 . 2]" 1
891 1 64 SER HB2 1 66 GLU H 1.800 . 5.000 3.874 2.549 4.169 . 0 0 "[ . 1 . 2]" 1
892 1 64 SER HB2 1 67 HIS H 1.800 . 6.000 4.782 3.908 5.103 . 0 0 "[ . 1 . 2]" 1
893 1 64 SER HB3 1 66 GLU H 1.800 . 5.000 3.622 2.254 4.210 . 0 0 "[ . 1 . 2]" 1
894 1 64 SER HB3 1 67 HIS H 1.800 . 6.000 3.850 3.005 4.962 . 0 0 "[ . 1 . 2]" 1
895 1 65 PRO HA 1 65 PRO HB3 1.800 . 2.900 2.275 2.270 2.283 . 0 0 "[ . 1 . 2]" 1
896 1 65 PRO HA 1 66 GLU H 1.800 . 3.500 3.488 3.461 3.503 0.003 8 0 "[ . 1 . 2]" 1
897 1 65 PRO HA 1 67 HIS H 1.800 . 5.000 3.999 3.942 4.094 . 0 0 "[ . 1 . 2]" 1
898 1 65 PRO HA 1 68 PHE H 1.800 . 5.000 3.569 3.439 3.634 . 0 0 "[ . 1 . 2]" 1
899 1 65 PRO HA 1 68 PHE QB 1.800 . 5.000 3.473 3.207 3.672 . 0 0 "[ . 1 . 2]" 1
900 1 65 PRO HA 1 68 PHE QD 1.800 . 3.500 2.259 2.232 2.276 . 0 0 "[ . 1 . 2]" 1
901 1 65 PRO HA 1 68 PHE HZ 1.800 . 5.000 5.089 5.034 5.156 0.156 6 0 "[ . 1 . 2]" 1
902 1 65 PRO QB 1 66 GLU H 1.800 . 3.500 3.277 3.219 3.367 . 0 0 "[ . 1 . 2]" 1
903 1 65 PRO HB2 1 65 PRO QD 1.800 . 3.500 3.537 3.525 3.544 0.044 7 0 "[ . 1 . 2]" 1
904 1 65 PRO HB3 1 65 PRO QD 1.800 . 3.500 2.992 2.948 3.068 . 0 0 "[ . 1 . 2]" 1
905 1 65 PRO QD 1 65 PRO QG 1.800 . 2.900 1.979 1.975 1.981 . 0 0 "[ . 1 . 2]" 1
906 1 66 GLU H 1 66 GLU HB3 1.800 . 3.500 3.487 2.500 3.598 0.098 8 0 "[ . 1 . 2]" 1
907 1 66 GLU H 1 66 GLU HG2 1.800 . 5.000 3.464 3.220 4.418 . 0 0 "[ . 1 . 2]" 1
908 1 66 GLU H 1 66 GLU HG3 1.800 . 5.000 2.412 2.063 4.486 . 0 0 "[ . 1 . 2]" 1
909 1 66 GLU H 1 67 HIS H 1.800 . 3.500 2.523 2.500 2.557 . 0 0 "[ . 1 . 2]" 1
910 1 66 GLU H 1 67 HIS HA 1.800 . 5.000 5.165 5.139 5.204 0.204 17 0 "[ . 1 . 2]" 1
911 1 66 GLU H 1 68 PHE H 1.800 . 5.000 4.009 3.921 4.070 . 0 0 "[ . 1 . 2]" 1
912 1 66 GLU H 1 68 PHE QD 1.800 . 5.000 3.916 3.763 4.006 . 0 0 "[ . 1 . 2]" 1
913 1 66 GLU HA 1 66 GLU HB2 1.800 . 2.900 2.967 2.470 3.023 0.123 10 0 "[ . 1 . 2]" 1
914 1 66 GLU HA 1 66 GLU HB3 1.800 . 2.900 2.532 2.450 3.023 0.123 11 0 "[ . 1 . 2]" 1
915 1 66 GLU HA 1 66 GLU HG2 1.800 . 3.500 2.500 2.425 3.019 . 0 0 "[ . 1 . 2]" 1
916 1 66 GLU HA 1 66 GLU HG3 1.800 . 3.500 3.013 2.511 3.130 . 0 0 "[ . 1 . 2]" 1
917 1 66 GLU HA 1 67 HIS H 1.800 . 3.500 3.493 3.477 3.507 0.007 12 0 "[ . 1 . 2]" 1
918 1 66 GLU HA 1 68 PHE H 1.800 . 5.000 3.653 3.587 3.716 . 0 0 "[ . 1 . 2]" 1
919 1 66 GLU HA 1 68 PHE HA 1.800 . 5.000 6.135 6.105 6.193 1.193 19 20 [****-*************+*] 1
920 1 66 GLU HA 1 68 PHE QB 1.800 . 6.000 4.884 4.732 5.012 . 0 0 "[ . 1 . 2]" 1
921 1 66 GLU HA 1 69 ARG H 1.800 . 5.000 3.645 3.501 3.832 . 0 0 "[ . 1 . 2]" 1
922 1 66 GLU HA 1 69 ARG HA 1.800 . 5.000 4.171 3.932 4.470 . 0 0 "[ . 1 . 2]" 1
923 1 66 GLU HA 1 69 ARG QB 1.800 . 5.000 3.186 2.956 3.440 . 0 0 "[ . 1 . 2]" 1
924 1 66 GLU HA 1 69 ARG QD 1.800 . 4.300 4.130 3.869 4.320 0.020 4 0 "[ . 1 . 2]" 1
925 1 66 GLU HA 1 69 ARG QG 1.800 . 6.000 5.051 4.879 5.281 . 0 0 "[ . 1 . 2]" 1
926 1 66 GLU HB2 1 66 GLU HG2 1.800 . 2.900 3.020 3.018 3.021 0.121 11 0 "[ . 1 . 2]" 1
927 1 66 GLU HB2 1 66 GLU HG3 1.800 . 2.900 2.433 2.423 2.445 . 0 0 "[ . 1 . 2]" 1
928 1 66 GLU HB3 1 66 GLU HG2 1.800 . 2.900 2.478 2.463 2.487 . 0 0 "[ . 1 . 2]" 1
929 1 66 GLU HB3 1 66 GLU HG3 1.800 . 2.900 3.018 3.017 3.019 0.119 1 0 "[ . 1 . 2]" 1
930 1 67 HIS H 1 67 HIS HA 1.800 . 2.900 2.863 2.861 2.866 . 0 0 "[ . 1 . 2]" 1
931 1 67 HIS H 1 67 HIS HB2 1.800 . 3.500 2.878 2.643 3.166 . 0 0 "[ . 1 . 2]" 1
932 1 67 HIS H 1 67 HIS HB3 1.800 . 3.500 2.283 2.116 2.535 . 0 0 "[ . 1 . 2]" 1
933 1 67 HIS H 1 67 HIS HD1 1.800 . 5.000 4.314 3.977 4.443 . 0 0 "[ . 1 . 2]" 1
934 1 67 HIS HA 1 68 PHE H 1.800 . 3.500 3.427 3.405 3.443 . 0 0 "[ . 1 . 2]" 1
935 1 67 HIS QB 1 68 PHE H 1.800 . 4.300 3.079 2.977 3.269 . 0 0 "[ . 1 . 2]" 1
936 1 67 HIS QB 1 69 ARG QD 1.800 . 5.000 4.611 4.490 4.726 . 0 0 "[ . 1 . 2]" 1
937 1 67 HIS HB2 1 77 PHE HB3 1.800 . 6.000 5.903 5.252 6.161 0.161 13 0 "[ . 1 . 2]" 1
938 1 67 HIS HB3 1 77 PHE HB2 1.800 . 6.000 5.961 5.571 6.076 0.076 5 0 "[ . 1 . 2]" 1
939 1 67 HIS HE1 1 78 VAL H 1.800 . 5.000 4.619 3.766 5.121 0.121 19 0 "[ . 1 . 2]" 1
940 1 67 HIS HE2 1 74 ILE MD 1.800 . 5.000 4.340 1.771 5.062 0.062 13 0 "[ . 1 . 2]" 1
941 1 68 PHE H 1 68 PHE QB 1.800 . 3.500 2.551 2.487 2.608 . 0 0 "[ . 1 . 2]" 1
942 1 68 PHE H 1 69 ARG H 1.800 . 2.900 2.518 2.416 2.621 . 0 0 "[ . 1 . 2]" 1
943 1 68 PHE H 1 70 SER H 1.800 . 5.000 4.964 4.704 5.054 0.054 10 0 "[ . 1 . 2]" 1
944 1 68 PHE HA 1 69 ARG H 1.800 . 3.500 3.107 3.084 3.159 . 0 0 "[ . 1 . 2]" 1
945 1 68 PHE HA 1 69 ARG QD 1.800 . 3.500 5.108 5.046 5.164 1.664 3 20 [**+*****-***********] 1
946 1 68 PHE HA 1 74 ILE H 1.800 . 6.000 4.692 4.037 5.248 . 0 0 "[ . 1 . 2]" 1
947 1 68 PHE QB 1 74 ILE MD 1.800 . 6.000 3.421 2.537 4.617 . 0 0 "[ . 1 . 2]" 1
948 1 69 ARG H 1 69 ARG QB 1.800 . 3.500 2.381 2.306 2.411 . 0 0 "[ . 1 . 2]" 1
949 1 69 ARG H 1 69 ARG QD 1.800 . 4.000 2.839 2.757 2.914 . 0 0 "[ . 1 . 2]" 1
950 1 69 ARG H 1 69 ARG HE 1.800 . 3.500 4.995 4.836 5.056 1.556 14 20 [*************+****-*] 1
951 1 69 ARG H 1 69 ARG QG 1.800 . 4.300 2.284 2.216 2.504 . 0 0 "[ . 1 . 2]" 1
952 1 69 ARG H 1 70 SER H 1.800 . 3.500 2.880 2.821 2.977 . 0 0 "[ . 1 . 2]" 1
953 1 69 ARG HA 1 69 ARG QD 1.800 . 5.000 4.163 4.133 4.190 . 0 0 "[ . 1 . 2]" 1
954 1 69 ARG HA 1 70 SER H 1.800 . 5.000 3.559 3.481 3.579 . 0 0 "[ . 1 . 2]" 1
955 1 69 ARG QB 1 69 ARG QD 1.800 . 3.500 2.082 2.060 2.096 . 0 0 "[ . 1 . 2]" 1
956 1 69 ARG QB 1 69 ARG HE 1.800 . 3.500 3.901 3.732 4.227 0.727 13 4 "[ * . 1 + .* - 2]" 1
957 1 69 ARG QB 1 70 SER H 1.800 . 5.000 3.441 3.387 3.627 . 0 0 "[ . 1 . 2]" 1
958 1 69 ARG QD 1 70 SER H 1.800 . 5.000 3.793 3.744 3.918 . 0 0 "[ . 1 . 2]" 1
959 1 69 ARG HE 1 69 ARG QG 1.800 . 3.500 2.308 2.113 2.825 . 0 0 "[ . 1 . 2]" 1
960 1 69 ARG QG 1 70 SER H 1.800 . 5.000 1.752 1.713 2.033 0.087 1 0 "[ . 1 . 2]" 1
961 1 69 ARG QG 1 71 ILE MD 1.800 . 5.000 6.074 5.877 6.128 1.128 11 20 [*********-+*********] 1
962 1 69 ARG QG 1 72 ARG H 1.800 . 5.000 5.504 5.148 6.022 1.022 7 10 "[ - . + *** **. * **]" 1
963 1 70 SER H 1 71 ILE H 1.800 . 5.000 4.374 4.340 4.414 . 0 0 "[ . 1 . 2]" 1
964 1 70 SER H 1 73 SER H 1.800 . 5.000 3.719 3.504 3.979 . 0 0 "[ . 1 . 2]" 1
965 1 70 SER H 1 74 ILE H 1.800 . 4.000 4.133 3.929 4.436 0.436 7 0 "[ . 1 . 2]" 1
966 1 70 SER H 1 74 ILE MD 1.800 . 5.000 4.377 4.198 4.747 . 0 0 "[ . 1 . 2]" 1
967 1 70 SER H 1 74 ILE HG12 1.800 . 5.000 4.910 4.289 5.051 0.051 16 0 "[ . 1 . 2]" 1
968 1 70 SER H 1 74 ILE HG13 1.800 . 5.000 3.834 3.541 5.738 0.738 1 1 "[+ . 1 . 2]" 1
969 1 70 SER HA 1 71 ILE H 1.800 . 3.500 2.348 2.286 2.437 . 0 0 "[ . 1 . 2]" 1
970 1 70 SER HB2 1 71 ILE H 1.800 . 4.000 3.245 2.518 4.078 0.078 7 0 "[ . 1 . 2]" 1
971 1 70 SER HB3 1 71 ILE H 1.800 . 5.000 3.880 3.696 4.001 . 0 0 "[ . 1 . 2]" 1
972 1 71 ILE H 1 71 ILE HB 1.800 . 3.500 2.706 2.600 3.051 . 0 0 "[ . 1 . 2]" 1
973 1 71 ILE H 1 71 ILE MD 1.800 . 3.500 1.871 1.714 2.746 0.086 11 0 "[ . 1 . 2]" 1
974 1 71 ILE H 1 71 ILE HG12 1.800 . 3.500 3.260 1.936 3.585 0.085 1 0 "[ . 1 . 2]" 1
975 1 71 ILE H 1 71 ILE HG13 1.800 . 3.500 2.434 1.867 3.507 0.007 9 0 "[ . 1 . 2]" 1
976 1 71 ILE H 1 71 ILE MG 1.800 . 3.500 3.710 3.579 3.733 0.233 9 0 "[ . 1 . 2]" 1
977 1 71 ILE H 1 72 ARG H 1.800 . 3.500 2.675 2.608 2.777 . 0 0 "[ . 1 . 2]" 1
978 1 71 ILE HA 1 71 ILE MD 1.800 . 3.500 3.354 2.026 3.616 0.116 16 0 "[ . 1 . 2]" 1
979 1 71 ILE HA 1 71 ILE HG12 1.800 . 4.300 3.457 3.241 3.785 . 0 0 "[ . 1 . 2]" 1
980 1 71 ILE HA 1 71 ILE HG13 1.800 . 4.300 2.688 2.422 3.715 . 0 0 "[ . 1 . 2]" 1
981 1 71 ILE HA 1 71 ILE MG 1.800 . 2.900 2.243 2.145 2.340 . 0 0 "[ . 1 . 2]" 1
982 1 71 ILE HA 1 72 ARG H 1.800 . 5.000 3.528 3.508 3.569 . 0 0 "[ . 1 . 2]" 1
983 1 71 ILE HA 1 74 ILE H 1.800 . 5.000 3.300 3.158 3.472 . 0 0 "[ . 1 . 2]" 1
984 1 71 ILE HA 1 74 ILE HB 1.800 . 5.000 2.832 2.656 3.109 . 0 0 "[ . 1 . 2]" 1
985 1 71 ILE HA 1 74 ILE MD 1.800 . 5.000 2.341 2.040 3.906 . 0 0 "[ . 1 . 2]" 1
986 1 71 ILE HA 1 75 ASP H 1.800 . 6.000 4.228 3.980 4.512 . 0 0 "[ . 1 . 2]" 1
987 1 71 ILE HB 1 71 ILE MD 1.800 . 3.500 2.291 2.126 3.195 . 0 0 "[ . 1 . 2]" 1
988 1 71 ILE HB 1 71 ILE HG12 1.800 . 2.900 2.689 2.389 2.763 . 0 0 "[ . 1 . 2]" 1
989 1 71 ILE HB 1 71 ILE HG13 1.800 . 2.900 2.887 2.521 2.990 0.090 10 0 "[ . 1 . 2]" 1
990 1 71 ILE QG 1 72 ARG HA 1.800 . 5.000 5.807 5.668 5.857 0.857 1 20 [+*************-*****] 1
991 1 71 ILE HG12 1 71 ILE MG 1.800 . 2.900 2.219 1.916 3.144 0.244 9 0 "[ . 1 . 2]" 1
992 1 71 ILE HG13 1 71 ILE MG 1.800 . 2.900 2.634 2.133 2.777 . 0 0 "[ . 1 . 2]" 1
993 1 71 ILE MG 1 72 ARG H 1.800 . 5.000 3.743 3.525 3.966 . 0 0 "[ . 1 . 2]" 1
994 1 72 ARG H 1 72 ARG HB2 1.800 . 4.000 3.041 2.560 3.610 . 0 0 "[ . 1 . 2]" 1
995 1 72 ARG H 1 72 ARG HB3 1.800 . 4.000 3.138 2.500 3.593 . 0 0 "[ . 1 . 2]" 1
996 1 72 ARG H 1 72 ARG QD 1.800 . 5.000 3.021 2.035 3.278 . 0 0 "[ . 1 . 2]" 1
997 1 72 ARG H 1 72 ARG HE 1.800 . 3.500 4.849 4.200 5.034 1.534 3 20 [**+*****-***********] 1
998 1 72 ARG H 1 73 SER H 1.800 . 3.500 2.766 2.710 2.820 . 0 0 "[ . 1 . 2]" 1
999 1 72 ARG H 1 73 SER HA 1.800 . 6.000 5.403 5.362 5.444 . 0 0 "[ . 1 . 2]" 1
1000 1 72 ARG H 1 74 ILE H 1.800 . 5.000 4.182 4.058 4.350 . 0 0 "[ . 1 . 2]" 1
1001 1 72 ARG HA 1 72 ARG HG2 1.800 . 3.500 3.136 2.730 3.575 0.075 19 0 "[ . 1 . 2]" 1
1002 1 72 ARG HA 1 72 ARG HG3 1.800 . 3.500 3.315 2.727 4.159 0.659 9 2 "[ . +1 . -]" 1
1003 1 72 ARG HA 1 73 SER H 1.800 . 2.900 3.555 3.542 3.569 0.669 13 20 [**********-*+*******] 1
1004 1 72 ARG HA 1 75 ASP HB2 1.800 . 5.000 3.738 3.133 5.032 0.032 7 0 "[ . 1 . 2]" 1
1005 1 72 ARG HA 1 75 ASP HB3 1.800 . 5.000 3.600 3.233 5.019 0.019 5 0 "[ . 1 . 2]" 1
1006 1 72 ARG QB 1 72 ARG HE 1.800 . 3.500 2.460 2.098 3.988 0.488 14 0 "[ . 1 . 2]" 1
1007 1 72 ARG QB 1 72 ARG QG 1.800 . 3.500 2.087 2.051 2.098 . 0 0 "[ . 1 . 2]" 1
1008 1 72 ARG HB2 1 72 ARG QD 1.800 . 3.500 2.650 2.253 3.379 . 0 0 "[ . 1 . 2]" 1
1009 1 72 ARG HE 1 72 ARG QG 1.800 . 3.500 2.714 2.274 3.270 . 0 0 "[ . 1 . 2]" 1
1010 1 73 SER H 1 73 SER HB2 1.800 . 3.500 2.940 2.408 3.600 0.100 8 0 "[ . 1 . 2]" 1
1011 1 73 SER H 1 73 SER HB3 1.800 . 2.900 2.546 2.409 2.688 . 0 0 "[ . 1 . 2]" 1
1012 1 73 SER H 1 74 ILE H 1.800 . 3.500 2.662 2.588 2.725 . 0 0 "[ . 1 . 2]" 1
1013 1 73 SER H 1 75 ASP H 1.800 . 5.000 4.385 4.182 4.485 . 0 0 "[ . 1 . 2]" 1
1014 1 73 SER H 1 76 ALA H 1.800 . 5.000 4.833 4.707 4.904 . 0 0 "[ . 1 . 2]" 1
1015 1 73 SER HA 1 74 ILE H 1.800 . 5.000 3.554 3.530 3.573 . 0 0 "[ . 1 . 2]" 1
1016 1 73 SER HA 1 75 ASP H 1.800 . 5.000 4.611 4.461 4.719 . 0 0 "[ . 1 . 2]" 1
1017 1 73 SER HA 1 76 ALA MB 1.800 . 5.000 2.638 2.265 2.812 . 0 0 "[ . 1 . 2]" 1
1018 1 74 ILE H 1 74 ILE HB 1.800 . 3.500 2.533 2.463 2.606 . 0 0 "[ . 1 . 2]" 1
1019 1 74 ILE H 1 74 ILE MD 1.800 . 3.500 3.444 2.736 3.517 0.017 7 0 "[ . 1 . 2]" 1
1020 1 74 ILE H 1 74 ILE QG 1.800 . 2.900 1.968 1.906 2.105 . 0 0 "[ . 1 . 2]" 1
1021 1 74 ILE H 1 74 ILE MG 1.800 . 3.500 3.742 3.737 3.746 0.246 7 0 "[ . 1 . 2]" 1
1022 1 74 ILE H 1 75 ASP H 1.800 . 5.000 2.796 2.702 2.856 . 0 0 "[ . 1 . 2]" 1
1023 1 74 ILE H 1 75 ASP QB 1.800 . 5.000 4.590 4.453 4.926 . 0 0 "[ . 1 . 2]" 1
1024 1 74 ILE H 1 76 ALA H 1.800 . 5.000 4.129 4.042 4.201 . 0 0 "[ . 1 . 2]" 1
1025 1 74 ILE H 1 77 PHE H 1.800 . 5.000 4.619 4.400 4.953 . 0 0 "[ . 1 . 2]" 1
1026 1 74 ILE HA 1 74 ILE MD 1.800 . 3.500 3.723 2.021 3.825 0.325 17 0 "[ . 1 . 2]" 1
1027 1 74 ILE HA 1 74 ILE HG12 1.800 . 3.500 2.564 2.506 3.239 . 0 0 "[ . 1 . 2]" 1
1028 1 74 ILE HA 1 74 ILE MG 1.800 . 2.900 2.311 2.238 2.344 . 0 0 "[ . 1 . 2]" 1
1029 1 74 ILE HA 1 77 PHE H 1.800 . 3.500 3.443 3.291 3.574 0.074 19 0 "[ . 1 . 2]" 1
1030 1 74 ILE HA 1 77 PHE HB2 1.800 . 4.000 3.433 3.098 4.033 0.033 13 0 "[ . 1 . 2]" 1
1031 1 74 ILE HA 1 77 PHE HB3 1.800 . 5.000 2.862 2.566 3.182 . 0 0 "[ . 1 . 2]" 1
1032 1 74 ILE HB 1 74 ILE MD 1.800 . 2.900 2.307 2.220 3.177 0.277 1 0 "[ . 1 . 2]" 1
1033 1 74 ILE HB 1 75 ASP H 1.800 . 3.500 2.411 2.333 2.526 . 0 0 "[ . 1 . 2]" 1
1034 1 74 ILE MD 1 74 ILE MG 1.800 . 2.900 1.996 1.886 2.090 . 0 0 "[ . 1 . 2]" 1
1035 1 74 ILE MD 1 75 ASP H 1.800 . 5.000 4.328 4.245 4.423 . 0 0 "[ . 1 . 2]" 1
1036 1 74 ILE QG 1 74 ILE MG 1.800 . 2.900 2.254 2.170 2.296 . 0 0 "[ . 1 . 2]" 1
1037 1 74 ILE QG 1 75 ASP HA 1.800 . 6.000 5.769 5.744 5.780 . 0 0 "[ . 1 . 2]" 1
1038 1 74 ILE MG 1 75 ASP H 1.800 . 3.500 3.356 3.219 3.504 0.004 1 0 "[ . 1 . 2]" 1
1039 1 74 ILE MG 1 77 PHE H 1.800 . 5.000 4.629 4.500 4.797 . 0 0 "[ . 1 . 2]" 1
1040 1 75 ASP H 1 75 ASP HB2 1.800 . 3.500 2.443 2.327 3.589 0.089 7 0 "[ . 1 . 2]" 1
1041 1 75 ASP H 1 75 ASP HB3 1.800 . 3.500 2.827 2.352 3.597 0.097 5 0 "[ . 1 . 2]" 1
1042 1 75 ASP H 1 76 ALA H 1.800 . 2.900 2.706 2.643 2.731 . 0 0 "[ . 1 . 2]" 1
1043 1 75 ASP H 1 76 ALA MB 1.800 . 5.000 4.333 4.212 4.397 . 0 0 "[ . 1 . 2]" 1
1044 1 75 ASP H 1 77 PHE H 1.800 . 5.000 4.183 4.030 4.428 . 0 0 "[ . 1 . 2]" 1
1045 1 75 ASP HA 1 78 VAL H 1.800 . 5.000 3.707 3.590 3.761 . 0 0 "[ . 1 . 2]" 1
1046 1 75 ASP HA 1 78 VAL HB 1.800 . 5.000 3.017 2.539 3.365 . 0 0 "[ . 1 . 2]" 1
1047 1 75 ASP QB 1 76 ALA H 1.800 . 4.000 2.530 2.434 3.371 . 0 0 "[ . 1 . 2]" 1
1048 1 75 ASP HB2 1 76 ALA H 1.800 . 5.000 3.578 2.499 3.869 . 0 0 "[ . 1 . 2]" 1
1049 1 75 ASP HB2 1 76 ALA MB 1.800 . 5.000 4.969 3.902 5.127 0.127 19 0 "[ . 1 . 2]" 1
1050 1 75 ASP HB3 1 76 ALA H 1.800 . 5.000 2.704 2.474 3.877 . 0 0 "[ . 1 . 2]" 1
1051 1 75 ASP HB3 1 76 ALA MB 1.800 . 6.000 3.960 3.727 5.157 . 0 0 "[ . 1 . 2]" 1
1052 1 76 ALA H 1 76 ALA HA 1.800 . 2.900 2.868 2.863 2.875 . 0 0 "[ . 1 . 2]" 1
1053 1 76 ALA H 1 76 ALA MB 1.800 . 2.900 2.115 2.025 2.236 . 0 0 "[ . 1 . 2]" 1
1054 1 76 ALA H 1 77 PHE H 1.800 . 3.500 2.666 2.616 2.727 . 0 0 "[ . 1 . 2]" 1
1055 1 76 ALA H 1 77 PHE HB2 1.800 . 5.000 5.018 4.961 5.166 0.166 13 0 "[ . 1 . 2]" 1
1056 1 76 ALA H 1 77 PHE HB3 1.800 . 5.000 4.982 4.921 5.041 0.041 19 0 "[ . 1 . 2]" 1
1057 1 76 ALA H 1 78 VAL H 1.800 . 5.000 4.309 4.107 4.447 . 0 0 "[ . 1 . 2]" 1
1058 1 76 ALA H 1 79 VAL H 1.800 . 5.000 4.754 4.617 4.897 . 0 0 "[ . 1 . 2]" 1
1059 1 76 ALA H 1 79 VAL HB 1.800 . 5.000 4.984 4.656 5.085 0.085 16 0 "[ . 1 . 2]" 1
1060 1 76 ALA H 1 80 GLY H 1.800 . 5.000 5.494 5.072 5.930 0.930 13 11 "[*** .** 1 -+ *** *2]" 1
1061 1 76 ALA HA 1 77 PHE H 1.800 . 3.500 3.554 3.538 3.575 0.075 19 0 "[ . 1 . 2]" 1
1062 1 76 ALA HA 1 79 VAL H 1.800 . 3.500 3.562 3.493 3.606 0.106 14 0 "[ . 1 . 2]" 1
1063 1 76 ALA HA 1 79 VAL HB 1.800 . 2.900 2.645 2.500 2.732 . 0 0 "[ . 1 . 2]" 1
1064 1 76 ALA HA 1 79 VAL QG 1.800 . 3.500 3.330 2.981 3.481 . 0 0 "[ . 1 . 2]" 1
1065 1 76 ALA MB 1 77 PHE H 1.800 . 3.500 2.571 2.403 2.707 . 0 0 "[ . 1 . 2]" 1
1066 1 77 PHE H 1 77 PHE HB2 1.800 . 3.500 2.498 2.473 2.546 . 0 0 "[ . 1 . 2]" 1
1067 1 77 PHE H 1 77 PHE HB3 1.800 . 3.500 2.621 2.585 2.648 . 0 0 "[ . 1 . 2]" 1
1068 1 77 PHE H 1 79 VAL H 1.800 . 5.000 4.233 4.091 4.343 . 0 0 "[ . 1 . 2]" 1
1069 1 77 PHE H 1 80 GLY H 1.800 . 5.000 4.443 4.313 4.609 . 0 0 "[ . 1 . 2]" 1
1070 1 77 PHE HA 1 77 PHE HB3 1.800 . 2.900 3.021 3.018 3.023 0.123 13 0 "[ . 1 . 2]" 1
1071 1 77 PHE HA 1 78 VAL H 1.800 . 4.300 3.573 3.557 3.583 . 0 0 "[ . 1 . 2]" 1
1072 1 77 PHE HB2 1 78 VAL H 1.800 . 4.300 3.770 3.718 3.832 . 0 0 "[ . 1 . 2]" 1
1073 1 77 PHE HB2 1 78 VAL QG 1.800 . 5.000 4.593 4.368 4.822 . 0 0 "[ . 1 . 2]" 1
1074 1 77 PHE HB3 1 78 VAL H 1.800 . 4.300 2.441 2.324 2.541 . 0 0 "[ . 1 . 2]" 1
1075 1 77 PHE HB3 1 78 VAL QG 1.800 . 5.000 3.119 2.892 3.407 . 0 0 "[ . 1 . 2]" 1
1076 1 78 VAL H 1 78 VAL HB 1.800 . 3.500 2.419 2.352 2.537 . 0 0 "[ . 1 . 2]" 1
1077 1 78 VAL H 1 78 VAL MG1 1.800 . 3.500 3.729 3.715 3.742 0.242 10 0 "[ . 1 . 2]" 1
1078 1 78 VAL H 1 78 VAL MG2 1.800 . 2.900 2.262 1.989 2.448 . 0 0 "[ . 1 . 2]" 1
1079 1 78 VAL H 1 79 VAL H 1.800 . 2.900 2.731 2.694 2.758 . 0 0 "[ . 1 . 2]" 1
1080 1 78 VAL H 1 79 VAL HB 1.800 . 5.000 4.804 4.763 4.870 . 0 0 "[ . 1 . 2]" 1
1081 1 78 VAL H 1 79 VAL QG 1.800 . 5.000 4.317 4.138 4.412 . 0 0 "[ . 1 . 2]" 1
1082 1 78 VAL H 1 80 GLY H 1.800 . 5.000 4.068 3.960 4.180 . 0 0 "[ . 1 . 2]" 1
1083 1 78 VAL HA 1 78 VAL MG1 1.800 . 3.500 2.350 2.212 2.432 . 0 0 "[ . 1 . 2]" 1
1084 1 78 VAL HA 1 78 VAL MG2 1.800 . 3.500 2.301 2.203 2.361 . 0 0 "[ . 1 . 2]" 1
1085 1 78 VAL HA 1 81 ALA H 1.800 . 5.000 3.662 3.521 3.785 . 0 0 "[ . 1 . 2]" 1
1086 1 78 VAL HA 1 81 ALA MB 1.800 . 5.000 2.795 2.457 3.011 . 0 0 "[ . 1 . 2]" 1
1087 1 78 VAL HB 1 79 VAL H 1.800 . 4.300 2.466 2.376 2.619 . 0 0 "[ . 1 . 2]" 1
1088 1 78 VAL HB 1 79 VAL QG 1.800 . 5.000 3.208 2.947 3.368 . 0 0 "[ . 1 . 2]" 1
1089 1 78 VAL MG1 1 78 VAL MG2 1.800 . 2.900 1.983 1.853 2.071 . 0 0 "[ . 1 . 2]" 1
1090 1 78 VAL QG 1 79 VAL H 1.800 . 5.000 3.071 2.931 3.197 . 0 0 "[ . 1 . 2]" 1
1091 1 78 VAL QG 1 79 VAL HA 1.800 . 5.000 3.389 3.168 3.594 . 0 0 "[ . 1 . 2]" 1
1092 1 78 VAL QG 1 79 VAL QG 1.800 . 3.500 2.985 2.793 3.274 . 0 0 "[ . 1 . 2]" 1
1093 1 78 VAL QG 1 82 THR H 1.800 . 5.000 4.438 4.009 4.924 . 0 0 "[ . 1 . 2]" 1
1094 1 78 VAL QG 1 82 THR MG 1.800 . 3.500 3.249 2.541 4.572 1.072 13 2 "[ .- 1 + . 2]" 1
1095 1 79 VAL H 1 79 VAL HB 1.800 . 3.500 2.381 2.330 2.481 . 0 0 "[ . 1 . 2]" 1
1096 1 79 VAL H 1 79 VAL MG1 1.800 . 3.500 3.726 3.707 3.740 0.240 12 0 "[ . 1 . 2]" 1
1097 1 79 VAL H 1 79 VAL MG2 1.800 . 3.500 2.339 2.161 2.495 . 0 0 "[ . 1 . 2]" 1
1098 1 79 VAL H 1 80 GLY H 1.800 . 3.500 2.601 2.544 2.646 . 0 0 "[ . 1 . 2]" 1
1099 1 79 VAL H 1 81 ALA H 1.800 . 5.000 4.001 3.806 4.151 . 0 0 "[ . 1 . 2]" 1
1100 1 79 VAL HA 1 79 VAL MG1 1.800 . 3.500 2.371 2.326 2.420 . 0 0 "[ . 1 . 2]" 1
1101 1 79 VAL HA 1 79 VAL MG2 1.800 . 3.500 2.296 2.205 2.384 . 0 0 "[ . 1 . 2]" 1
1102 1 79 VAL HA 1 80 GLY H 1.800 . 5.000 3.549 3.528 3.563 . 0 0 "[ . 1 . 2]" 1
1103 1 79 VAL HA 1 81 ALA H 1.800 . 5.000 4.140 3.641 4.475 . 0 0 "[ . 1 . 2]" 1
1104 1 79 VAL HB 1 80 GLY H 1.800 . 3.500 2.545 2.377 2.621 . 0 0 "[ . 1 . 2]" 1
1105 1 79 VAL HB 1 81 ALA H 1.800 . 5.000 4.895 4.697 5.035 0.035 16 0 "[ . 1 . 2]" 1
1106 1 79 VAL QG 1 81 ALA H 1.800 . 5.000 4.409 4.125 4.560 . 0 0 "[ . 1 . 2]" 1
1107 1 79 VAL QG 1 83 THR HB 1.800 . 5.000 3.573 2.454 4.502 . 0 0 "[ . 1 . 2]" 1
1108 1 79 VAL MG1 1 80 GLY H 1.800 . 5.000 3.271 3.119 3.446 . 0 0 "[ . 1 . 2]" 1
1109 1 79 VAL MG1 1 80 GLY QA 1.800 . 5.000 3.276 3.103 3.421 . 0 0 "[ . 1 . 2]" 1
1110 1 79 VAL MG2 1 80 GLY H 1.800 . 5.000 3.889 3.790 3.931 . 0 0 "[ . 1 . 2]" 1
1111 1 80 GLY H 1 81 ALA H 1.800 . 2.900 2.698 2.582 2.744 . 0 0 "[ . 1 . 2]" 1
1112 1 80 GLY H 1 82 THR H 1.800 . 5.000 4.390 4.239 4.584 . 0 0 "[ . 1 . 2]" 1
1113 1 80 GLY QA 1 81 ALA H 1.800 . 2.900 2.805 2.733 2.892 . 0 0 "[ . 1 . 2]" 1
1114 1 80 GLY QA 1 82 THR H 1.800 . 5.000 4.082 3.755 4.272 . 0 0 "[ . 1 . 2]" 1
1115 1 81 ALA H 1 81 ALA HA 1.800 . 2.900 2.874 2.866 2.893 . 0 0 "[ . 1 . 2]" 1
1116 1 81 ALA H 1 81 ALA MB 1.800 . 3.500 2.153 2.042 2.249 . 0 0 "[ . 1 . 2]" 1
1117 1 81 ALA HA 1 82 THR H 1.800 . 3.500 3.555 3.524 3.571 0.071 1 0 "[ . 1 . 2]" 1
1118 1 81 ALA MB 1 82 THR H 1.800 . 3.500 2.639 2.542 2.872 . 0 0 "[ . 1 . 2]" 1
1119 1 81 ALA MB 1 82 THR HA 1.800 . 5.000 3.880 3.757 4.147 . 0 0 "[ . 1 . 2]" 1
1120 1 81 ALA MB 1 82 THR HB 1.800 . 5.000 5.062 4.754 5.162 0.162 15 0 "[ . 1 . 2]" 1
1121 1 81 ALA MB 1 83 THR H 1.800 . 5.000 4.404 4.195 4.465 . 0 0 "[ . 1 . 2]" 1
1122 1 82 THR H 1 82 THR MG 1.800 . 4.000 2.320 2.071 2.776 . 0 0 "[ . 1 . 2]" 1
1123 1 82 THR H 1 83 THR H 1.800 . 2.900 2.291 1.797 2.410 0.003 13 0 "[ . 1 . 2]" 1
1124 1 82 THR H 1 83 THR HA 1.800 . 5.000 5.007 4.602 5.113 0.113 8 0 "[ . 1 . 2]" 1
1125 1 82 THR H 1 83 THR MG 1.800 . 5.000 4.830 3.653 5.083 0.083 1 0 "[ . 1 . 2]" 1
1126 1 82 THR HA 1 82 THR HB 1.800 . 2.900 2.425 2.362 2.441 . 0 0 "[ . 1 . 2]" 1
1127 1 82 THR HA 1 82 THR MG 1.800 . 2.900 2.395 2.312 2.459 . 0 0 "[ . 1 . 2]" 1
1128 1 82 THR HA 1 83 THR H 1.800 . 3.500 3.504 3.462 3.531 0.031 6 0 "[ . 1 . 2]" 1
1129 1 82 THR HA 1 83 THR HB 1.800 . 5.000 6.255 5.275 6.429 1.429 2 17 "[-+***** ** ** ******]" 1
1130 1 82 THR HA 1 83 THR MG 1.800 . 5.000 4.647 4.537 4.791 . 0 0 "[ . 1 . 2]" 1
1131 1 82 THR HB 1 83 THR HA 1.800 . 5.000 4.914 4.877 5.028 0.028 2 0 "[ . 1 . 2]" 1
1132 1 82 THR MG 1 83 THR H 1.800 . 5.000 3.808 3.650 3.929 . 0 0 "[ . 1 . 2]" 1
1133 1 83 THR H 1 83 THR HA 1.800 . 2.900 2.973 2.968 2.979 0.079 6 0 "[ . 1 . 2]" 1
1134 1 83 THR H 1 83 THR HB 1.800 . 3.500 3.530 3.282 3.588 0.088 17 0 "[ . 1 . 2]" 1
1135 1 83 THR H 1 83 THR MG 1.800 . 3.500 3.288 2.131 3.578 0.078 6 0 "[ . 1 . 2]" 1
1136 1 83 THR HA 1 83 THR MG 1.800 . 3.500 2.309 2.131 3.187 . 0 0 "[ . 1 . 2]" 1
1137 1 83 THR HA 1 84 PRO QD 1.800 . 3.500 2.109 2.095 2.124 . 0 0 "[ . 1 . 2]" 1
1138 1 83 THR HB 1 84 PRO QD 1.800 . 3.500 2.589 2.383 3.373 . 0 0 "[ . 1 . 2]" 1
1139 1 83 THR MG 1 84 PRO QD 1.800 . 4.300 2.501 2.194 3.713 . 0 0 "[ . 1 . 2]" 1
1140 1 84 PRO HA 1 84 PRO QD 1.800 . 4.300 3.272 3.180 3.438 . 0 0 "[ . 1 . 2]" 1
1141 1 84 PRO HA 1 85 PRO HD2 1.800 . 2.900 2.295 2.250 2.401 . 0 0 "[ . 1 . 2]" 1
1142 1 84 PRO HA 1 85 PRO HD3 1.800 . 2.900 2.332 2.244 2.422 . 0 0 "[ . 1 . 2]" 1
1143 1 84 PRO HA 1 85 PRO QG 1.800 . 4.000 3.983 3.963 4.029 0.029 16 0 "[ . 1 . 2]" 1
1144 1 84 PRO QB 1 84 PRO QD 1.800 . 3.500 2.870 2.817 2.934 . 0 0 "[ . 1 . 2]" 1
1145 1 84 PRO QB 1 85 PRO QD 1.800 . 3.500 3.052 2.238 3.508 0.008 7 0 "[ . 1 . 2]" 1
1146 1 84 PRO QB 1 85 PRO HD3 1.800 . 5.000 3.969 3.550 4.160 . 0 0 "[ . 1 . 2]" 1
1147 1 84 PRO QD 1 84 PRO QG 1.800 . 2.900 1.970 1.958 1.980 . 0 0 "[ . 1 . 2]" 1
1148 1 85 PRO HA 1 86 VAL H 1.800 . 3.500 2.260 2.207 2.293 . 0 0 "[ . 1 . 2]" 1
1149 1 85 PRO QB 1 85 PRO HD2 1.800 . 3.500 3.452 3.059 3.541 0.041 16 0 "[ . 1 . 2]" 1
1150 1 85 PRO QB 1 85 PRO HD3 1.800 . 3.500 3.156 3.028 3.530 0.030 7 0 "[ . 1 . 2]" 1
1151 1 85 PRO HB2 1 86 VAL H 1.800 . 3.500 3.182 2.989 3.589 0.089 20 0 "[ . 1 . 2]" 1
1152 1 85 PRO HB3 1 86 VAL H 1.800 . 3.500 3.592 3.310 3.691 0.191 15 0 "[ . 1 . 2]" 1
1153 1 85 PRO QD 1 88 ALA H 1.800 . 5.000 5.996 5.721 6.095 1.095 11 20 [**********+***-*****] 1
1154 1 86 VAL H 1 86 VAL QG 1.800 . 3.500 2.223 1.782 2.561 0.018 2 0 "[ . 1 . 2]" 1
1155 1 86 VAL HA 1 86 VAL QG 1.800 . 3.500 2.148 2.019 2.364 . 0 0 "[ . 1 . 2]" 1
1156 1 86 VAL HA 1 87 GLU H 1.800 . 3.500 2.219 2.190 2.258 . 0 0 "[ . 1 . 2]" 1
1157 1 86 VAL HB 1 86 VAL QG 1.800 . 2.900 1.901 1.890 1.913 . 0 0 "[ . 1 . 2]" 1
1158 1 86 VAL QG 1 87 GLU H 1.800 . 3.500 2.751 2.193 3.519 0.019 2 0 "[ . 1 . 2]" 1
1159 1 87 GLU H 1 87 GLU HA 1.800 . 2.900 2.370 2.361 2.384 . 0 0 "[ . 1 . 2]" 1
1160 1 87 GLU H 1 87 GLU HB2 1.800 . 3.500 3.305 2.933 3.463 . 0 0 "[ . 1 . 2]" 1
1161 1 87 GLU H 1 87 GLU HB3 1.800 . 3.500 3.882 3.512 4.028 0.528 3 6 "[ +*. * 1 - . **2]" 1
1162 1 89 LYS QD 1 90 LEU QD 1.800 . 5.000 4.082 3.138 5.121 0.121 6 0 "[ . 1 . 2]" 1
1163 1 90 LEU HA 1 90 LEU QD 1.800 . 2.900 2.172 2.004 3.030 0.130 20 0 "[ . 1 . 2]" 1
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