NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
484554 |
2ith   |
6645 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ith
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 1183
_Distance_constraint_stats_list.Viol_count 8091
_Distance_constraint_stats_list.Viol_total 74388.766
_Distance_constraint_stats_list.Viol_max 4.120
_Distance_constraint_stats_list.Viol_rms 0.3146
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1572
_Distance_constraint_stats_list.Viol_average_violations_only 0.4597
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 9.822 0.629 6 9 "[** **+ * 1* * . -]"
1 2 GLU 62.438 1.603 8 20 [*******+***********-]
1 3 LEU 25.891 0.665 8 17 "[**-*** +** ******* *]"
1 4 VAL 82.244 1.249 10 20 [*****-***+**********]
1 5 SER 52.434 0.898 11 20 [********-*+*********]
1 6 VAL 71.334 1.202 10 20 [*****-***+**********]
1 7 ALA 59.010 1.158 9 20 [****-***+***********]
1 8 ALA 17.794 0.690 17 12 "[** ** * -* * **+* 2]"
1 9 LEU 31.431 0.905 13 19 "[***** **-***+*******]"
1 10 ALA 12.279 1.151 10 11 "[ * -*** + ** .* * *]"
1 11 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ASN 37.041 1.332 6 20 [*****+*-************]
1 13 ARG 52.701 1.186 10 20 [*********+****-*****]
1 14 VAL 39.844 1.332 6 20 [-****+**************]
1 15 ILE 61.591 0.905 13 20 [******-*****+*******]
1 16 GLY 7.372 0.676 8 1 "[ . + 1 . 2]"
1 17 ARG 6.294 0.956 17 4 "[ *.* 1 -. + 2]"
1 18 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLY 18.174 1.079 16 14 "[****.* *1** **+* *-]"
1 20 GLU 30.372 1.079 16 17 "[****.* *******+***-]"
1 21 LEU 21.289 0.953 11 16 "[***-.* **+********2]"
1 22 PRO 15.642 0.956 17 14 "[-***. **1******+ *]"
1 23 TRP 15.673 0.942 13 13 "[-***. *1**+**** *]"
1 24 PRO 20.767 0.753 9 14 "[ * *- **+1***** ***2]"
1 25 SER 41.163 0.949 6 20 [****-+**************]
1 26 ILE 71.431 1.003 10 20 [*********+**-*******]
1 27 PRO 19.723 1.166 20 17 "[*** .*-*******.****+]"
1 28 ALA 56.027 1.404 20 19 [****.******-*******+]
1 29 ASP 40.875 1.003 10 20 [*********+**-*******]
1 30 LYS 67.319 1.404 20 20 [***********-*******+]
1 31 LYS 38.234 1.047 11 17 "[ *********+-**** **2]"
1 32 GLN 30.802 1.714 12 11 "[ ** ** * +*** * *]"
1 33 TYR 41.694 0.998 5 20 [-***+***************]
1 34 ARG 46.578 0.804 13 17 "[** ***-*** *+ ******]"
1 35 SER 52.600 1.213 18 20 [******-**********+**]
1 36 ARG 52.850 1.714 12 20 [********-**+********]
1 37 VAL 32.487 0.619 13 19 "[*-****** ***+*******]"
1 38 ALA 116.931 1.213 18 20 [********-********+**]
1 39 ASP 18.330 0.633 17 2 "[ - . 1 . + 2]"
1 40 ASP 52.390 1.177 14 20 [*************+-*****]
1 41 PRO 17.834 0.747 2 15 "[ + . *******-******]"
1 42 VAL 52.132 1.046 19 20 [***************-**+*]
1 43 VAL 75.950 1.046 19 20 [************-*****+*]
1 44 LEU 130.221 1.444 20 20 [-******************+]
1 45 GLY 95.158 4.120 7 20 [******+****-********]
1 46 ARG 79.622 2.161 12 20 [***********+********]
1 47 THR 65.126 1.666 17 20 [***-************+***]
1 48 THR 53.846 0.986 5 20 [****+************-**]
1 49 PHE 88.391 1.444 20 19 "[****-********** ***+]"
1 50 GLU 89.845 2.161 12 20 [*********-*+********]
1 51 SER 70.328 1.666 17 20 [*********-******+***]
1 52 MET 62.596 1.704 5 20 [***-+***************]
1 53 ARG 78.316 1.506 16 20 [****-**********+****]
1 54 ASP 38.033 0.860 5 13 "[** -+** ** ***. * *]"
1 55 ASP 69.563 1.704 5 20 [****+*-*************]
1 56 LEU 36.138 1.285 7 20 [******+*************]
1 57 PRO 7.549 0.755 8 8 "[* .* +*1 .**- *]"
1 58 GLY 72.516 1.238 3 20 [**+***************-*]
1 59 SER 52.508 1.238 3 20 [**+*-***************]
1 60 ALA 83.617 1.539 2 20 [*+**-***************]
1 61 GLN 47.549 1.285 7 20 [******+***********-*]
1 62 ILE 156.354 1.502 2 20 [*+****-*************]
1 63 VAL 65.165 1.147 19 20 [**************-***+*]
1 64 MET 59.906 0.840 12 20 [***********+***-****]
1 65 SER 47.869 1.153 17 20 [****-***********+***]
1 67 SER 1.692 0.402 14 0 "[ . 1 . 2]"
1 68 GLU 3.062 0.804 19 1 "[ . 1 . +2]"
1 69 ARG 0.096 0.096 12 0 "[ . 1 . 2]"
1 70 SER 2.401 0.358 12 0 "[ . 1 . 2]"
1 71 PHE 5.917 0.627 11 1 "[ . 1+ . 2]"
1 72 SER 6.895 0.341 3 0 "[ . 1 . 2]"
1 73 VAL 71.764 1.556 19 20 [****-*************+*]
1 74 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 THR 29.966 1.556 19 20 [*********-********+*]
1 76 ALA 44.466 0.982 9 20 [*****-**+***********]
1 77 HIS 25.275 1.539 2 20 [*+*********-********]
1 78 ARG 30.685 1.225 3 20 [**+********-********]
1 79 ALA 94.076 1.233 2 20 [*+**-***************]
1 80 ALA 11.290 0.891 2 5 "[ + * 1 - ** 2]"
1 81 SER 56.057 1.540 12 20 [***********+********]
1 82 VAL 34.753 0.737 10 19 "[ ***-****+**********]"
1 83 GLU 62.390 1.540 12 20 [***********+***-****]
1 84 GLU 29.137 0.961 14 18 "[************ +*- ***]"
1 85 ALA 82.781 1.826 20 20 [**-****************+]
1 86 VAL 23.800 0.391 2 0 "[ . 1 . 2]"
1 87 ASP 44.189 0.680 6 20 [*****+****-*********]
1 88 ILE 201.243 1.826 20 20 [****-**************+]
1 89 ALA 105.116 1.281 16 20 [******-********+****]
1 90 ALA 22.738 0.530 18 4 "[ . - * +*2]"
1 91 SER 15.728 0.398 16 0 "[ . 1 . 2]"
1 92 LEU 114.108 1.487 16 20 [****-**********+****]
1 93 ASP 15.137 0.905 2 6 "[ +* . * 1- * *2]"
1 94 ALA 85.627 1.597 18 20 [******-**********+**]
1 95 GLU 27.850 0.759 2 9 "[ +* **-* ** . *2]"
1 96 THR 69.025 1.603 8 20 [*******+************]
1 97 ALA 21.047 0.691 12 15 "[* ** *****+*-** * *]"
1 98 TYR 35.190 0.717 20 20 [*****-*************+]
1 99 VAL 120.705 1.249 10 20 [***-*****+**********]
1 100 ILE 75.217 1.417 10 20 [****-****+**********]
1 101 GLY 28.582 1.099 5 3 "[* -+ 1 . 2]"
1 102 GLY 107.017 4.120 7 20 [******+**********-**]
1 103 ALA 126.141 2.448 14 20 [******-******+******]
1 104 ALA 39.240 0.844 16 20 [***************+*-**]
1 105 ILE 150.028 1.548 7 20 [******+**********-**]
1 106 TYR 129.413 2.448 14 20 [**********-**+******]
1 107 ALA 6.785 0.342 12 0 "[ . 1 . 2]"
1 108 LEU 121.620 1.413 5 20 [****+*-*************]
1 109 PHE 56.029 0.986 3 20 [**+*****************]
1 110 GLN 35.676 0.685 20 8 "[ - .** 1* .** *+]"
1 111 PRO 15.423 0.732 18 9 "[ . * ** **-+**]"
1 112 HIS 15.758 0.732 18 4 "[ . * * - + 2]"
1 113 LEU 75.536 1.152 7 20 [******+********-****]
1 114 ASP 25.051 0.740 11 11 "[** . * -*+***.* * 2]"
1 115 ARG 20.865 0.945 19 20 [************-*****+*]
1 116 MET 24.780 0.744 10 16 "[** ** **+***** **-*]"
1 117 VAL 70.609 1.202 10 20 [******-**+**********]
1 118 LEU 60.603 1.338 2 19 "[ +****-*************]"
1 119 SER 24.122 0.882 16 16 "[ *-**** *1 ****+****]"
1 120 ARG 10.468 0.730 12 8 "[ * . - 1 +*** **]"
1 121 VAL 2.833 0.387 10 0 "[ . 1 . 2]"
1 122 PRO 14.899 0.770 10 16 "[***-. **+******* **]"
1 123 GLY 15.503 0.820 16 17 "[***-. ********+****]"
1 124 GLU 9.199 1.151 10 6 "[ -** + .* * 2]"
1 125 TYR 16.564 1.139 16 15 "[ ***. *****-**+* **]"
1 126 GLU 31.431 1.139 16 20 [************-**+****]
1 127 GLY 26.727 0.911 2 19 "[*+ ****-************]"
1 128 ASP 3.168 0.665 6 1 "[ .+ 1 . 2]"
1 129 THR 44.098 1.047 13 20 [*-**********+*******]
1 130 TYR 57.265 1.047 13 20 [************+*******]
1 131 TYR 72.535 1.045 6 20 [*****+********-*****]
1 132 PRO 18.174 0.652 4 6 "[ +* 1- *.* *2]"
1 133 GLU 23.961 1.237 20 18 "[*********1*****-* *+]"
1 134 TRP 45.402 1.237 20 19 [********-1*********+]
1 135 ASP 17.991 1.140 11 10 "[ ** .* * 1+ * * * -*]"
1 136 ALA 4.210 0.594 2 1 "[ + . 1 . 2]"
1 137 ALA 16.847 0.712 6 10 "[ *-*+***1 . * **]"
1 138 GLU 32.792 0.712 6 13 "[ ****+***1 *-* **]"
1 139 TRP 22.298 1.140 11 11 "[ ** .* * 1+ * *** -*]"
1 140 GLU 87.061 1.526 13 20 [******-*****+*******]
1 141 LEU 19.659 0.588 11 16 "[ ****-* **+**** ***]"
1 142 ASP 32.654 1.223 17 20 [***************-+***]
1 143 ALA 21.957 0.674 20 14 "[ **** * *1***-* **+]"
1 144 GLU 22.045 0.674 20 15 "[ **** ***1***-* **+]"
1 145 THR 15.773 0.672 8 5 "[- *. + 1 . * *]"
1 146 ASP 0.015 0.015 14 0 "[ . 1 . 2]"
1 147 HIS 29.654 1.456 5 17 "[**-*+****** *** * **]"
1 148 GLU 5.913 0.643 9 1 "[ . +1 . 2]"
1 149 GLY 13.942 0.708 3 6 "[* + . * 1 * . * -]"
1 150 PHE 29.455 0.858 11 17 "[*-********+ *** * **]"
1 151 THR 35.325 1.148 6 19 "[*****+*-** *********]"
1 152 LEU 53.328 1.456 5 20 [-***+***************]
1 153 GLN 37.038 1.338 2 13 "[*+*** * 1 **-** **2]"
1 154 GLU 19.726 0.633 15 5 "[* . 1 -+* * 2]"
1 155 TRP 14.337 0.802 16 1 "[ . 1 .+ 2]"
1 156 VAL 73.201 1.526 13 20 [************+**-****]
1 157 ARG 48.934 0.981 14 20 [********-****+******]
1 158 SER 27.029 0.744 16 20 [********-******+****]
1 159 ALA 1.078 0.503 11 1 "[ . 1+ . 2]"
1 160 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 161 SER 7.199 0.594 10 4 "[ . + . * -*]"
1 162 ARG 26.878 1.153 14 20 [*************+****-*]
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 GLU H 1 2 GLU HA 2.000 . 2.700 2.987 2.908 3.064 0.364 11 0 "[ . 1 . 2]" 1
2 1 2 GLU H 1 2 GLU QG 2.000 . 2.700 2.710 2.361 2.982 0.282 17 0 "[ . 1 . 2]" 1
3 1 1 MET HA 1 2 GLU H 2.000 . 2.700 3.067 2.638 3.329 0.629 6 8 "[** **+ * 1 * . -]" 1
4 1 1 MET HB3 1 2 GLU H 2.000 . 2.700 1.978 1.867 2.190 . 0 0 "[ . 1 . 2]" 1
5 1 1 MET HB2 1 2 GLU H 2.000 . 2.700 2.685 2.307 3.239 0.539 11 1 "[ . 1+ . 2]" 1
6 1 2 GLU HA 1 114 ASP QB 2.000 . 4.000 4.450 4.284 4.662 0.662 14 7 "[ . ****+.* - 2]" 1
7 1 2 GLU QB 1 114 ASP QB 2.000 . 4.000 3.988 3.814 4.160 0.160 16 0 "[ . 1 . 2]" 1
8 1 3 LEU H 1 3 LEU QB 2.000 . 2.700 3.251 3.104 3.365 0.665 8 17 "[**-*** +** ******* *]" 1
9 1 3 LEU H 1 3 LEU HG 2.000 . 3.300 2.610 2.332 2.883 . 0 0 "[ . 1 . 2]" 1
10 1 3 LEU H 1 3 LEU QD 2.000 . 2.700 2.007 1.916 2.104 . 0 0 "[ . 1 . 2]" 1
11 1 2 GLU HA 1 3 LEU H 2.000 . 2.700 3.170 2.933 3.327 0.627 4 7 "[ +* **1 *-. * 2]" 1
12 1 2 GLU QB 1 3 LEU H 2.000 . 2.700 2.308 2.076 2.455 . 0 0 "[ . 1 . 2]" 1
13 1 2 GLU QG 1 3 LEU H 2.000 . 3.300 2.383 2.040 2.881 . 0 0 "[ . 1 . 2]" 1
14 1 3 LEU QD 1 82 VAL QG 2.000 . 4.000 2.584 2.393 2.768 . 0 0 "[ . 1 . 2]" 1
15 1 3 LEU QD 1 86 VAL QG 2.000 . 3.300 2.115 2.056 2.162 . 0 0 "[ . 1 . 2]" 1
16 1 3 LEU QD 1 99 VAL QG 2.000 . 4.000 2.789 2.611 2.986 . 0 0 "[ . 1 . 2]" 1
17 1 3 LEU QB 1 99 VAL QG 2.000 . 4.000 2.779 2.617 2.943 . 0 0 "[ . 1 . 2]" 1
18 1 3 LEU QD 1 109 PHE HB3 2.000 . 4.500 4.399 4.042 4.728 0.228 11 0 "[ . 1 . 2]" 1
19 1 3 LEU QD 1 112 HIS HB3 2.000 . 4.000 3.582 3.339 3.857 . 0 0 "[ . 1 . 2]" 1
20 1 3 LEU QD 1 112 HIS HB2 2.000 . 4.000 3.773 3.602 4.053 0.053 10 0 "[ . 1 . 2]" 1
21 1 3 LEU QD 1 113 LEU QD 2.000 . 4.500 2.258 2.127 2.383 . 0 0 "[ . 1 . 2]" 1
22 1 3 LEU H 1 114 ASP QB 2.000 . 4.000 3.309 2.792 3.716 . 0 0 "[ . 1 . 2]" 1
23 1 4 VAL H 1 4 VAL HB 2.000 . 2.700 2.510 2.417 2.573 . 0 0 "[ . 1 . 2]" 1
24 1 4 VAL H 1 4 VAL QG 2.000 . 3.300 2.652 2.575 2.760 . 0 0 "[ . 1 . 2]" 1
25 1 3 LEU HA 1 4 VAL H 2.000 . 2.700 2.113 2.060 2.172 . 0 0 "[ . 1 . 2]" 1
26 1 4 VAL H 1 98 TYR HA 2.000 . 2.700 2.377 2.227 2.503 . 0 0 "[ . 1 . 2]" 1
27 1 4 VAL H 1 98 TYR QD 2.000 . 3.300 3.869 3.753 3.981 0.681 9 15 "[ * **-**+* ***. ****]" 1
28 1 4 VAL H 1 99 VAL QG 2.000 . 3.300 3.703 3.546 3.863 0.563 4 1 "[ +. 1 . 2]" 1
29 1 4 VAL H 1 99 VAL H 2.000 . 3.300 4.453 4.217 4.549 1.249 10 20 [******-**+**********] 1
30 1 4 VAL QG 1 115 ARG QB 2.000 . 3.300 1.842 1.820 1.920 . 0 0 "[ . 1 . 2]" 1
31 1 4 VAL QG 1 115 ARG QD 2.000 . 4.000 2.958 2.410 3.520 . 0 0 "[ . 1 . 2]" 1
32 1 5 SER H 1 5 SER QB 2.000 . 4.000 2.669 2.603 2.802 . 0 0 "[ . 1 . 2]" 1
33 1 4 VAL HA 1 5 SER H 2.000 . 4.000 2.215 2.146 2.249 . 0 0 "[ . 1 . 2]" 1
34 1 4 VAL QG 1 5 SER H 2.000 . 3.300 2.816 2.723 2.900 . 0 0 "[ . 1 . 2]" 1
35 1 5 SER H 1 113 LEU QD 2.000 . 2.700 3.057 2.911 3.174 0.474 14 0 "[ . 1 . 2]" 1
36 1 5 SER H 1 113 LEU HB2 2.000 . 4.500 4.819 4.708 4.974 0.474 7 0 "[ . 1 . 2]" 1
37 1 5 SER HA 1 113 LEU QD 2.000 . 4.000 3.780 3.667 3.892 . 0 0 "[ . 1 . 2]" 1
38 1 5 SER H 1 116 MET HA 2.000 . 2.700 2.830 2.615 3.059 0.359 12 0 "[ . 1 . 2]" 1
39 1 5 SER HA 1 99 VAL HB 2.000 . 3.300 4.126 3.993 4.198 0.898 11 20 [-*********+*********] 1
40 1 5 SER HA 1 99 VAL QG 2.000 . 4.000 2.008 1.926 2.064 . 0 0 "[ . 1 . 2]" 1
41 1 6 VAL H 1 6 VAL HB 2.000 . 3.300 4.067 3.965 4.119 0.819 17 20 [****************+-**] 1
42 1 6 VAL H 1 6 VAL QG 2.000 . 2.700 2.622 2.556 2.681 . 0 0 "[ . 1 . 2]" 1
43 1 5 SER HA 1 6 VAL H 2.000 . 4.000 2.185 2.118 2.229 . 0 0 "[ . 1 . 2]" 1
44 1 5 SER QB 1 6 VAL H 2.000 . 3.300 3.183 3.038 3.297 . 0 0 "[ . 1 . 2]" 1
45 1 6 VAL HA 1 117 VAL HB 2.000 . 3.300 3.023 2.558 3.584 0.284 2 0 "[ . 1 . 2]" 1
46 1 6 VAL QG 1 36 ARG QB 2.000 . 4.500 3.126 2.920 3.401 . 0 0 "[ . 1 . 2]" 1
47 1 6 VAL QG 1 37 VAL QG 2.000 . 3.300 2.027 1.931 2.147 . 0 0 "[ . 1 . 2]" 1
48 1 6 VAL QG 1 37 VAL HB 2.000 . 4.000 4.141 4.035 4.298 0.298 15 0 "[ . 1 . 2]" 1
49 1 6 VAL QG 1 98 TYR HB3 2.000 . 4.000 2.334 2.131 2.533 . 0 0 "[ . 1 . 2]" 1
50 1 6 VAL H 1 100 ILE HA 2.000 . 4.000 3.174 3.035 3.342 . 0 0 "[ . 1 . 2]" 1
51 1 6 VAL HA 1 7 ALA H 2.000 . 3.300 2.275 2.139 2.350 . 0 0 "[ . 1 . 2]" 1
52 1 6 VAL QG 1 7 ALA H 2.000 . 3.300 3.954 3.810 4.004 0.704 17 20 [******-*********+***] 1
53 1 5 SER QB 1 7 ALA MB 2.000 . 4.500 4.584 4.458 4.752 0.252 7 0 "[ . 1 . 2]" 1
54 1 7 ALA MB 1 15 ILE HG13 2.000 . 4.000 3.761 3.255 4.243 0.243 9 0 "[ . 1 . 2]" 1
55 1 7 ALA MB 1 118 LEU QD 2.000 . 3.300 4.029 3.765 4.391 1.091 7 19 "[ *****+***-*********]" 1
56 1 7 ALA MB 1 131 TYR QB 2.000 . 4.500 4.229 4.085 4.383 . 0 0 "[ . 1 . 2]" 1
57 1 7 ALA MB 1 131 TYR QD 2.000 . 3.300 2.694 2.575 2.842 . 0 0 "[ . 1 . 2]" 1
58 1 8 ALA H 1 8 ALA MB 2.000 . 2.700 2.365 2.192 2.599 . 0 0 "[ . 1 . 2]" 1
59 1 7 ALA HA 1 8 ALA H 2.000 . 3.300 2.250 2.191 2.385 . 0 0 "[ . 1 . 2]" 1
60 1 7 ALA MB 1 8 ALA H 2.000 . 2.700 3.053 2.636 3.274 0.574 16 4 "[ * - *1 .+ 2]" 1
61 1 8 ALA MB 1 21 LEU QD 2.000 . 4.000 2.115 1.977 2.299 . 0 0 "[ . 1 . 2]" 1
62 1 8 ALA MB 1 119 SER QB 2.000 . 4.500 2.266 2.023 2.756 . 0 0 "[ . 1 . 2]" 1
63 1 8 ALA MB 1 121 VAL QG 2.000 . 4.000 2.282 2.022 2.508 . 0 0 "[ . 1 . 2]" 1
64 1 9 LEU H 1 9 LEU QB 2.000 . 3.300 3.282 2.220 3.490 0.190 8 0 "[ . 1 . 2]" 1
65 1 9 LEU H 1 9 LEU QD 2.000 . 2.700 2.315 2.117 2.477 . 0 0 "[ . 1 . 2]" 1
66 1 8 ALA HA 1 9 LEU H 2.000 . 4.500 2.166 2.041 2.230 . 0 0 "[ . 1 . 2]" 1
67 1 8 ALA MB 1 9 LEU H 2.000 . 2.700 3.210 3.045 3.390 0.690 17 11 "[** ** * -* * * +* 2]" 1
68 1 9 LEU QD 1 13 ARG QB 2.000 . 4.000 2.655 2.119 2.915 . 0 0 "[ . 1 . 2]" 1
69 1 9 LEU QD 1 15 ILE MG 2.000 . 4.500 3.736 3.476 4.086 . 0 0 "[ . 1 . 2]" 1
70 1 9 LEU QD 1 13 ARG QG 2.000 . 4.000 4.320 3.870 4.580 0.580 5 1 "[ + 1 . 2]" 1
71 1 9 LEU QD 1 118 LEU QD 2.000 . 3.300 1.864 1.773 2.019 . 0 0 "[ . 1 . 2]" 1
72 1 9 LEU QD 1 118 LEU QB 2.000 . 4.500 3.298 2.501 3.553 . 0 0 "[ . 1 . 2]" 1
73 1 9 LEU QD 1 131 TYR QD 2.000 . 3.300 2.583 2.228 2.729 . 0 0 "[ . 1 . 2]" 1
74 1 10 ALA H 1 10 ALA MB 2.000 . 4.500 2.310 2.178 2.393 . 0 0 "[ . 1 . 2]" 1
75 1 9 LEU HA 1 10 ALA H 2.000 . 4.500 2.226 2.097 2.284 . 0 0 "[ . 1 . 2]" 1
76 1 9 LEU QB 1 10 ALA H 2.000 . 4.500 2.546 2.379 3.133 . 0 0 "[ . 1 . 2]" 1
77 1 10 ALA H 1 15 ILE HA 2.000 . 4.500 4.823 4.248 5.099 0.599 16 7 "[ * . * 1 -* .+ * *]" 1
78 1 10 ALA H 1 14 VAL H 2.000 . 4.000 3.000 2.710 3.480 . 0 0 "[ . 1 . 2]" 1
79 1 10 ALA H 1 121 VAL HB 2.000 . 4.500 4.467 4.082 4.887 0.387 10 0 "[ . 1 . 2]" 1
80 1 12 ASN H 1 12 ASN HA 2.000 . 2.700 2.365 2.290 2.458 . 0 0 "[ . 1 . 2]" 1
81 1 12 ASN H 1 12 ASN HB3 2.000 . 4.000 4.035 3.807 4.193 0.193 5 0 "[ . 1 . 2]" 1
82 1 12 ASN H 1 12 ASN HB2 2.000 . 3.300 3.053 2.721 3.311 0.011 5 0 "[ . 1 . 2]" 1
83 1 11 GLU HA 1 12 ASN H 2.000 . 2.700 2.355 2.150 2.545 . 0 0 "[ . 1 . 2]" 1
84 1 11 GLU HG3 1 12 ASN H 2.000 . 2.700 2.270 1.723 2.699 . 0 0 "[ . 1 . 2]" 1
85 1 12 ASN HB2 1 130 TYR HE2 2.000 . 3.300 3.749 3.436 4.024 0.724 18 8 "[* * * -*1* .* + 2]" 1
86 1 13 ARG H 1 13 ARG QB 2.000 . 2.700 3.022 2.954 3.124 0.424 10 0 "[ . 1 . 2]" 1
87 1 13 ARG H 1 13 ARG QG 2.000 . 2.700 3.616 3.402 3.886 1.186 10 20 [*********+****-*****] 1
88 1 12 ASN HA 1 13 ARG H 2.000 . 2.700 2.981 2.801 3.106 0.406 5 0 "[ . 1 . 2]" 1
89 1 12 ASN H 1 13 ARG H 2.000 . 3.300 3.075 2.852 3.252 . 0 0 "[ . 1 . 2]" 1
90 1 14 VAL H 1 14 VAL QG 2.000 . 2.700 2.666 2.477 3.030 0.330 6 0 "[ . 1 . 2]" 1
91 1 12 ASN HA 1 14 VAL H 2.000 . 4.000 5.055 4.840 5.332 1.332 6 20 [*****+***-**********] 1
92 1 13 ARG H 1 14 VAL H 2.000 . 2.700 2.840 2.676 3.036 0.336 16 0 "[ . 1 . 2]" 1
93 1 12 ASN HB2 1 14 VAL QG 2.000 . 4.000 3.156 2.646 3.643 . 0 0 "[ . 1 . 2]" 1
94 1 14 VAL QG 1 125 TYR QB 2.000 . 4.000 2.859 2.336 4.325 0.325 18 0 "[ . 1 . 2]" 1
95 1 14 VAL HA 1 15 ILE H 2.000 . 2.700 2.148 2.100 2.213 . 0 0 "[ . 1 . 2]" 1
96 1 14 VAL QG 1 15 ILE H 2.000 . 3.300 3.245 3.020 3.366 0.066 12 0 "[ . 1 . 2]" 1
97 1 15 ILE H 1 130 TYR HA 2.000 . 2.700 3.181 2.930 3.367 0.667 16 11 "[ * ** * 1 *-*.+ ***]" 1
98 1 15 ILE H 1 131 TYR H 2.000 . 3.300 3.475 3.267 3.688 0.388 18 0 "[ . 1 . 2]" 1
99 1 9 LEU HA 1 15 ILE HA 2.000 . 2.700 3.376 2.846 3.605 0.905 13 16 "[***-. **1**+*******]" 1
100 1 16 GLY H 1 16 GLY QA 2.000 . 2.700 2.589 2.538 2.611 . 0 0 "[ . 1 . 2]" 1
101 1 15 ILE HB 1 16 GLY H 2.000 . 3.300 2.428 2.056 2.709 . 0 0 "[ . 1 . 2]" 1
102 1 15 ILE MG 1 16 GLY H 2.000 . 3.300 3.394 2.892 3.735 0.435 8 0 "[ . 1 . 2]" 1
103 1 15 ILE H 1 16 GLY H 2.000 . 2.700 2.869 2.650 3.145 0.445 2 0 "[ . 1 . 2]" 1
104 1 14 VAL HA 1 16 GLY H 2.000 . 4.500 4.139 3.792 4.505 0.005 2 0 "[ . 1 . 2]" 1
105 1 14 VAL QG 1 16 GLY QA 2.000 . 4.000 3.200 2.485 3.858 . 0 0 "[ . 1 . 2]" 1
106 1 19 GLY H 1 19 GLY HA3 2.000 . 2.700 2.829 2.651 3.067 0.367 6 0 "[ . 1 . 2]" 1
107 1 18 ASP HA 1 19 GLY H 2.000 . 4.000 3.561 3.429 3.632 . 0 0 "[ . 1 . 2]" 1
108 1 18 ASP HB3 1 19 GLY H 2.000 . 4.500 3.653 2.312 4.231 . 0 0 "[ . 1 . 2]" 1
109 1 20 GLU H 1 20 GLU QB 2.000 . 3.300 2.929 2.645 3.149 . 0 0 "[ . 1 . 2]" 1
110 1 20 GLU H 1 20 GLU QG 2.000 . 2.700 2.631 2.295 3.114 0.414 2 0 "[ . 1 . 2]" 1
111 1 19 GLY H 1 20 GLU H 2.000 . 2.700 3.280 2.534 3.779 1.079 16 14 "[****.* *1** **+* *-]" 1
112 1 19 GLY HA3 1 20 GLU H 2.000 . 3.300 2.367 2.233 2.592 . 0 0 "[ . 1 . 2]" 1
113 1 19 GLY HA2 1 20 GLU H 2.000 . 3.310 3.495 3.317 3.588 0.278 6 0 "[ . 1 . 2]" 1
114 1 21 LEU H 1 21 LEU QB 2.000 . 4.500 3.201 2.475 3.535 . 0 0 "[ . 1 . 2]" 1
115 1 21 LEU H 1 21 LEU HG 2.000 . 2.700 2.711 2.090 3.024 0.324 12 0 "[ . 1 . 2]" 1
116 1 21 LEU H 1 21 LEU QD 2.000 . 2.700 3.016 2.706 3.567 0.867 16 3 "[ -. 1 .+ *2]" 1
117 1 20 GLU H 1 21 LEU H 2.000 . 3.300 2.936 2.692 3.499 0.199 7 0 "[ . 1 . 2]" 1
118 1 20 GLU QB 1 21 LEU H 2.000 . 2.700 3.301 2.516 3.653 0.953 11 16 "[**-*.* **+********2]" 1
119 1 16 GLY QA 1 21 LEU HA 2.000 . 3.300 2.312 2.011 2.751 . 0 0 "[ . 1 . 2]" 1
120 1 14 VAL QG 1 22 PRO QG 2.000 . 4.000 2.580 2.151 3.794 . 0 0 "[ . 1 . 2]" 1
121 1 16 GLY QA 1 22 PRO QG 2.000 . 3.300 2.454 2.025 3.976 0.676 8 1 "[ . + 1 . 2]" 1
122 1 17 ARG QB 1 22 PRO QB 2.000 . 2.700 2.641 2.195 3.656 0.956 17 3 "[ *. 1 -. + 2]" 1
123 1 17 ARG HD3 1 22 PRO QB 2.000 . 4.000 3.245 2.307 4.404 0.404 1 0 "[ . 1 . 2]" 1
124 1 22 PRO QG 1 23 TRP HE3 2.000 . 3.300 3.749 2.673 4.242 0.942 13 13 "[-***. *1**+**** *]" 1
125 1 22 PRO QG 1 23 TRP HZ3 2.000 . 3.300 2.961 2.373 3.886 0.586 1 1 "[+ . 1 . 2]" 1
126 1 23 TRP H 1 23 TRP HB3 2.000 . 3.300 3.194 2.751 3.434 0.134 2 0 "[ . 1 . 2]" 1
127 1 22 PRO HD2 1 23 TRP H 2.000 . 4.000 2.490 2.113 2.894 . 0 0 "[ . 1 . 2]" 1
128 1 22 PRO HA 1 23 TRP H 2.000 . 4.000 3.398 3.294 3.535 . 0 0 "[ . 1 . 2]" 1
129 1 21 LEU QB 1 23 TRP H 2.000 . 4.000 2.973 2.309 3.460 . 0 0 "[ . 1 . 2]" 1
130 1 21 LEU QD 1 23 TRP HE1 2.000 . 4.000 1.958 1.674 2.446 . 0 0 "[ . 1 . 2]" 1
131 1 21 LEU QB 1 23 TRP HE1 2.000 . 4.000 3.113 2.398 4.239 0.239 20 0 "[ . 1 . 2]" 1
132 1 8 ALA MB 1 23 TRP HE1 2.000 . 4.000 3.536 2.378 4.204 0.204 20 0 "[ . 1 . 2]" 1
133 1 10 ALA MB 1 23 TRP HZ3 2.000 . 4.000 2.930 2.184 3.697 . 0 0 "[ . 1 . 2]" 1
134 1 23 TRP HA 1 24 PRO HD3 2.000 . 2.700 2.278 2.135 2.594 . 0 0 "[ . 1 . 2]" 1
135 1 23 TRP HA 1 24 PRO HD2 2.000 . 3.300 3.142 2.532 3.530 0.230 3 0 "[ . 1 . 2]" 1
136 1 23 TRP HE1 1 121 VAL QG 2.000 . 4.000 3.860 2.638 4.336 0.336 5 0 "[ . 1 . 2]" 1
137 1 25 SER H 1 25 SER QB 2.000 . 2.700 3.481 3.234 3.649 0.949 6 20 [*****+*-************] 1
138 1 24 PRO HA 1 25 SER H 2.000 . 3.300 3.514 3.422 3.568 0.268 14 0 "[ . 1 . 2]" 1
139 1 24 PRO HB3 1 25 SER H 2.000 . 4.000 3.998 3.776 4.309 0.309 6 0 "[ . 1 . 2]" 1
140 1 24 PRO HB2 1 25 SER H 2.000 . 3.300 2.778 2.494 3.501 0.201 6 0 "[ . 1 . 2]" 1
141 1 24 PRO QG 1 25 SER H 2.000 . 3.300 3.504 2.038 4.053 0.753 9 13 "[ * *- * +1***** ***2]" 1
142 1 24 PRO HD3 1 25 SER H 2.000 . 4.000 4.223 4.048 4.505 0.505 8 1 "[ . + 1 . 2]" 1
143 1 24 PRO HD2 1 25 SER H 2.000 . 3.300 2.983 2.638 3.778 0.478 8 0 "[ . 1 . 2]" 1
144 1 26 ILE H 1 26 ILE HB 2.000 . 3.300 3.749 3.610 3.833 0.533 20 2 "[ . 1 - . +]" 1
145 1 26 ILE H 1 26 ILE QG 2.000 . 3.300 2.372 2.134 2.725 . 0 0 "[ . 1 . 2]" 1
146 1 26 ILE H 1 26 ILE MD 2.000 . 2.700 2.448 1.814 3.280 0.580 17 1 "[ . 1 . + 2]" 1
147 1 25 SER H 1 26 ILE H 2.000 . 4.500 3.340 3.057 3.721 . 0 0 "[ . 1 . 2]" 1
148 1 25 SER HA 1 26 ILE H 2.000 . 3.300 2.199 2.102 2.281 . 0 0 "[ . 1 . 2]" 1
149 1 25 SER QB 1 26 ILE H 2.000 . 3.300 3.584 3.248 3.853 0.553 20 2 "[ . 1 . -+]" 1
150 1 26 ILE MD 1 29 ASP QB 2.000 . 4.000 2.907 2.622 3.345 . 0 0 "[ . 1 . 2]" 1
151 1 26 ILE MD 1 148 GLU QB 2.000 . 4.500 4.727 4.261 5.143 0.643 9 1 "[ . +1 . 2]" 1
152 1 26 ILE MD 1 150 PHE QD 2.000 . 3.300 2.519 2.222 3.181 . 0 0 "[ . 1 . 2]" 1
153 1 26 ILE QG 1 150 PHE QE 2.000 . 3.300 2.443 2.235 2.748 . 0 0 "[ . 1 . 2]" 1
154 1 26 ILE QG 1 150 PHE QD 2.000 . 3.300 2.671 2.310 3.423 0.123 17 0 "[ . 1 . 2]" 1
155 1 27 PRO HA 1 30 LYS QB 2.000 . 3.300 3.276 2.809 3.775 0.475 19 0 "[ . 1 . 2]" 1
156 1 28 ALA H 1 28 ALA MB 2.000 . 3.300 2.283 2.179 2.403 . 0 0 "[ . 1 . 2]" 1
157 1 27 PRO HA 1 28 ALA H 2.000 . 4.000 3.599 3.447 3.660 . 0 0 "[ . 1 . 2]" 1
158 1 27 PRO HB2 1 28 ALA H 2.000 . 4.000 2.841 2.593 3.096 . 0 0 "[ . 1 . 2]" 1
159 1 27 PRO HD2 1 28 ALA H 2.000 . 4.500 3.235 3.025 3.428 . 0 0 "[ . 1 . 2]" 1
160 1 26 ILE HA 1 28 ALA H 2.000 . 4.000 4.699 4.313 4.974 0.974 1 15 "[+* *.****** *** * -*]" 1
161 1 26 ILE QG 1 28 ALA H 2.000 . 4.000 3.804 3.152 4.472 0.472 8 0 "[ . 1 . 2]" 1
162 1 26 ILE QG 1 28 ALA MB 2.000 . 3.300 3.139 2.573 3.854 0.554 6 1 "[ .+ 1 . 2]" 1
163 1 28 ALA HA 1 31 LYS QB 2.000 . 3.300 2.599 2.229 3.125 . 0 0 "[ . 1 . 2]" 1
164 1 28 ALA HA 1 31 LYS QG 2.000 . 4.000 3.803 3.321 4.266 0.266 7 0 "[ . 1 . 2]" 1
165 1 28 ALA MB 1 147 HIS QB 2.000 . 4.500 2.351 2.110 2.779 . 0 0 "[ . 1 . 2]" 1
166 1 28 ALA MB 1 148 GLU QB 2.000 . 4.000 2.042 1.950 2.233 . 0 0 "[ . 1 . 2]" 1
167 1 28 ALA H 1 150 PHE QE 2.000 . 4.000 4.551 4.228 4.858 0.858 11 11 "[*- *.*****+ *. * 2]" 1
168 1 29 ASP H 1 29 ASP QB 2.000 . 2.700 2.272 2.158 2.411 . 0 0 "[ . 1 . 2]" 1
169 1 28 ALA H 1 29 ASP H 2.000 . 2.700 2.978 2.607 3.246 0.546 1 1 "[+ . 1 . 2]" 1
170 1 28 ALA HA 1 29 ASP H 2.000 . 4.000 3.547 3.502 3.589 . 0 0 "[ . 1 . 2]" 1
171 1 28 ALA MB 1 29 ASP H 2.000 . 3.300 2.911 2.731 3.064 . 0 0 "[ . 1 . 2]" 1
172 1 26 ILE MD 1 29 ASP H 2.000 . 4.000 4.247 3.940 4.688 0.688 8 4 "[ .* + 1 *.- 2]" 1
173 1 26 ILE QG 1 29 ASP H 2.000 . 3.300 2.543 2.299 2.933 . 0 0 "[ . 1 . 2]" 1
174 1 26 ILE HA 1 29 ASP H 2.000 . 4.000 4.856 4.704 5.003 1.003 10 20 [*********+*******-**] 1
175 1 26 ILE QG 1 29 ASP QB 2.000 . 2.700 2.062 1.941 2.245 . 0 0 "[ . 1 . 2]" 1
176 1 27 PRO HA 1 29 ASP H 2.000 . 4.000 4.165 3.951 4.295 0.295 6 0 "[ . 1 . 2]" 1
177 1 29 ASP HA 1 32 GLN HB3 2.000 . 4.000 2.975 2.608 3.296 . 0 0 "[ . 1 . 2]" 1
178 1 29 ASP H 1 150 PHE QE 2.000 . 4.000 2.752 2.574 2.915 . 0 0 "[ . 1 . 2]" 1
179 1 29 ASP HA 1 150 PHE HZ 2.000 . 3.300 2.606 2.313 2.812 . 0 0 "[ . 1 . 2]" 1
180 1 30 LYS H 1 30 LYS QB 2.000 . 2.700 2.170 2.079 2.266 . 0 0 "[ . 1 . 2]" 1
181 1 29 ASP H 1 30 LYS H 2.000 . 2.700 2.917 2.718 3.307 0.607 20 2 "[ . 1 - . +]" 1
182 1 29 ASP HA 1 30 LYS H 2.000 . 3.300 3.564 3.508 3.624 0.324 5 0 "[ . 1 . 2]" 1
183 1 29 ASP QB 1 30 LYS H 2.000 . 2.700 2.210 2.060 2.309 . 0 0 "[ . 1 . 2]" 1
184 1 28 ALA H 1 30 LYS H 2.000 . 4.500 5.191 4.568 5.904 1.404 20 17 [****.****1*-**.****+] 1
185 1 26 ILE QG 1 30 LYS H 2.000 . 4.000 4.051 3.724 4.346 0.346 20 0 "[ . 1 . 2]" 1
186 1 27 PRO HA 1 30 LYS H 2.000 . 3.300 4.016 3.594 4.466 1.166 20 17 "[*** .*-*******.****+]" 1
187 1 30 LYS HA 1 33 TYR HB3 2.000 . 3.300 2.985 2.382 3.549 0.249 5 0 "[ . 1 . 2]" 1
188 1 30 LYS HA 1 33 TYR QD 2.000 . 2.700 2.115 1.899 2.307 . 0 0 "[ . 1 . 2]" 1
189 1 30 LYS HA 1 34 ARG QG 2.000 . 4.000 3.668 3.468 4.009 0.009 15 0 "[ . 1 . 2]" 1
190 1 31 LYS H 1 31 LYS QB 2.000 . 4.500 2.414 2.314 2.526 . 0 0 "[ . 1 . 2]" 1
191 1 30 LYS H 1 31 LYS H 2.000 . 3.300 3.165 2.996 3.375 0.075 13 0 "[ . 1 . 2]" 1
192 1 30 LYS HA 1 31 LYS H 2.000 . 4.000 3.375 3.204 3.635 . 0 0 "[ . 1 . 2]" 1
193 1 30 LYS QG 1 31 LYS H 2.000 . 4.000 4.470 3.155 4.945 0.945 14 14 "[ *******-** +** * 2]" 1
194 1 29 ASP H 1 31 LYS H 2.000 . 4.500 3.761 3.598 4.012 . 0 0 "[ . 1 . 2]" 1
195 1 28 ALA H 1 31 LYS H 2.000 . 4.500 4.846 4.539 4.983 0.483 6 0 "[ . 1 . 2]" 1
196 1 28 ALA HA 1 31 LYS H 2.000 . 4.000 3.665 3.443 4.113 0.113 5 0 "[ . 1 . 2]" 1
197 1 27 PRO HA 1 31 LYS H 2.000 . 4.000 3.870 3.578 4.204 0.204 2 0 "[ . 1 . 2]" 1
198 1 31 LYS HA 1 34 ARG QB 2.000 . 3.300 2.866 2.468 3.606 0.306 20 0 "[ . 1 . 2]" 1
199 1 32 GLN H 1 32 GLN HB3 2.000 . 3.300 2.540 2.419 2.785 . 0 0 "[ . 1 . 2]" 1
200 1 32 GLN H 1 32 GLN HB2 2.000 . 2.700 2.784 2.623 3.010 0.310 13 0 "[ . 1 . 2]" 1
201 1 31 LYS H 1 32 GLN H 2.000 . 2.700 2.474 2.346 2.811 0.111 18 0 "[ . 1 . 2]" 1
202 1 31 LYS HA 1 32 GLN H 2.000 . 3.300 3.614 3.512 3.674 0.374 4 0 "[ . 1 . 2]" 1
203 1 31 LYS QB 1 32 GLN H 2.000 . 4.000 2.956 2.774 3.097 . 0 0 "[ . 1 . 2]" 1
204 1 31 LYS QG 1 32 GLN H 2.000 . 3.300 3.740 3.495 3.934 0.634 14 7 "[ . ** * -*+. * 2]" 1
205 1 29 ASP HA 1 32 GLN H 2.000 . 4.000 3.504 3.303 3.850 . 0 0 "[ . 1 . 2]" 1
206 1 28 ALA HA 1 32 GLN H 2.000 . 4.000 3.839 3.518 4.246 0.246 17 0 "[ . 1 . 2]" 1
207 1 32 GLN HA 1 35 SER QB 2.000 . 3.300 3.443 2.870 3.700 0.400 8 0 "[ . 1 . 2]" 1
208 1 32 GLN QG 1 152 LEU HG 2.000 . 4.000 3.010 2.407 4.280 0.280 15 0 "[ . 1 . 2]" 1
209 1 33 TYR H 1 33 TYR HB3 2.000 . 2.700 2.157 2.096 2.232 . 0 0 "[ . 1 . 2]" 1
210 1 33 TYR H 1 33 TYR HB2 2.000 . 3.300 3.061 2.832 3.290 . 0 0 "[ . 1 . 2]" 1
211 1 32 GLN H 1 33 TYR H 2.000 . 2.700 2.639 2.440 2.823 0.123 10 0 "[ . 1 . 2]" 1
212 1 32 GLN HA 1 33 TYR H 2.000 . 4.000 3.623 3.581 3.676 . 0 0 "[ . 1 . 2]" 1
213 1 32 GLN HB3 1 33 TYR H 2.000 . 2.700 2.612 2.433 2.763 0.063 15 0 "[ . 1 . 2]" 1
214 1 32 GLN HB2 1 33 TYR H 2.000 . 4.000 3.939 3.805 4.046 0.046 15 0 "[ . 1 . 2]" 1
215 1 29 ASP HA 1 33 TYR H 2.000 . 4.500 3.532 3.164 3.817 . 0 0 "[ . 1 . 2]" 1
216 1 30 LYS HA 1 33 TYR H 2.000 . 4.000 3.878 3.451 4.138 0.138 16 0 "[ . 1 . 2]" 1
217 1 30 LYS QB 1 33 TYR QD 2.000 . 3.300 3.859 2.636 4.298 0.998 5 15 "[- **+******* *** * 2]" 1
218 1 30 LYS QG 1 33 TYR QD 2.000 . 4.000 3.384 2.755 4.277 0.277 2 0 "[ . 1 . 2]" 1
219 1 33 TYR HA 1 36 ARG QB 2.000 . 2.700 2.520 2.274 2.671 . 0 0 "[ . 1 . 2]" 1
220 1 33 TYR HA 1 36 ARG QG 2.000 . 4.000 3.825 3.578 4.165 0.165 12 0 "[ . 1 . 2]" 1
221 1 6 VAL QG 1 33 TYR HA 2.000 . 4.000 2.962 2.756 3.188 . 0 0 "[ . 1 . 2]" 1
222 1 33 TYR QD 1 100 ILE MD 2.000 . 4.000 2.143 2.002 2.698 . 0 0 "[ . 1 . 2]" 1
223 1 34 ARG H 1 34 ARG QB 2.000 . 4.000 2.595 2.454 2.952 . 0 0 "[ . 1 . 2]" 1
224 1 34 ARG H 1 34 ARG QG 2.000 . 3.300 2.809 2.575 3.129 . 0 0 "[ . 1 . 2]" 1
225 1 33 TYR H 1 34 ARG H 2.000 . 2.700 3.114 2.888 3.313 0.613 2 4 "[ + . 1 . -**2]" 1
226 1 33 TYR HA 1 34 ARG H 2.000 . 4.000 3.633 3.577 3.710 . 0 0 "[ . 1 . 2]" 1
227 1 33 TYR HB3 1 34 ARG H 2.000 . 3.300 3.548 3.337 3.785 0.485 11 0 "[ . 1 . 2]" 1
228 1 33 TYR QD 1 34 ARG H 2.000 . 3.300 2.766 2.340 4.104 0.804 13 2 "[ . 1 + . -]" 1
229 1 33 TYR QD 1 34 ARG QG 2.000 . 3.300 2.502 2.109 3.738 0.438 13 0 "[ . 1 . 2]" 1
230 1 32 GLN HA 1 34 ARG H 2.000 . 4.500 4.404 4.141 4.725 0.225 19 0 "[ . 1 . 2]" 1
231 1 31 LYS HA 1 34 ARG H 2.000 . 4.500 3.355 3.153 3.667 . 0 0 "[ . 1 . 2]" 1
232 1 30 LYS QG 1 34 ARG QG 2.000 . 4.000 3.234 2.195 4.056 0.056 19 0 "[ . 1 . 2]" 1
233 1 34 ARG HA 1 37 VAL QG 2.000 . 3.300 3.341 3.042 3.775 0.475 18 0 "[ . 1 . 2]" 1
234 1 33 TYR OH 1 34 ARG HE 2.000 . 4.000 3.579 2.207 4.635 0.635 8 2 "[- . + 1 . 2]" 1
235 1 35 SER H 1 35 SER QB 2.000 . 4.000 2.611 2.344 2.898 . 0 0 "[ . 1 . 2]" 1
236 1 34 ARG H 1 35 SER H 2.000 . 2.700 2.751 2.612 2.926 0.226 19 0 "[ . 1 . 2]" 1
237 1 34 ARG HA 1 35 SER H 2.000 . 3.300 3.445 3.278 3.581 0.281 14 0 "[ . 1 . 2]" 1
238 1 34 ARG QB 1 35 SER H 2.000 . 2.700 3.245 3.026 3.476 0.776 12 11 "[ * *. -*** +* . * **]" 1
239 1 34 ARG QG 1 35 SER H 2.000 . 4.000 4.551 4.281 4.676 0.676 13 15 "[** ***-**1 *+ *** **]" 1
240 1 32 GLN HA 1 35 SER H 2.000 . 4.500 3.554 3.248 3.712 . 0 0 "[ . 1 . 2]" 1
241 1 31 LYS NZ 1 35 SER HG 2.000 . 4.000 3.765 3.259 5.047 1.047 11 3 "[ * . 1+ . -2]" 1
242 1 35 SER HA 1 38 ALA MB 2.000 . 3.300 4.245 4.084 4.513 1.213 18 20 [***-*************+**] 1
243 1 36 ARG H 1 36 ARG QB 2.000 . 3.300 2.282 2.142 2.406 . 0 0 "[ . 1 . 2]" 1
244 1 35 SER H 1 36 ARG H 2.000 . 2.700 2.208 1.925 2.509 . 0 0 "[ . 1 . 2]" 1
245 1 35 SER HA 1 36 ARG H 2.000 . 3.300 3.315 3.093 3.460 0.160 10 0 "[ . 1 . 2]" 1
246 1 35 SER QB 1 36 ARG H 2.000 . 4.500 3.311 2.937 3.569 . 0 0 "[ . 1 . 2]" 1
247 1 34 ARG HA 1 36 ARG H 2.000 . 4.500 3.930 3.535 4.215 . 0 0 "[ . 1 . 2]" 1
248 1 33 TYR H 1 36 ARG H 2.000 . 4.500 4.954 4.817 5.211 0.711 17 4 "[ * . 1 - + *2]" 1
249 1 32 GLN OE1 1 36 ARG NH2 2.000 . 4.000 4.105 3.242 5.714 1.714 12 6 "[ ** * 1 + - * 2]" 1
250 1 32 GLN HG2 1 36 ARG QB 2.000 . 4.000 3.581 2.965 4.645 0.645 20 1 "[ . 1 . +]" 1
251 1 6 VAL HB 1 36 ARG QG 2.000 . 4.000 3.590 3.227 3.980 . 0 0 "[ . 1 . 2]" 1
252 1 36 ARG QG 1 98 TYR HE1 2.000 . 3.300 2.903 2.656 3.040 . 0 0 "[ . 1 . 2]" 1
253 1 37 VAL H 1 37 VAL HB 2.000 . 3.300 3.805 3.764 3.838 0.538 18 11 "[ - .*** * * ** *+*2]" 1
254 1 37 VAL H 1 37 VAL QG 2.000 . 2.700 2.329 2.262 2.375 . 0 0 "[ . 1 . 2]" 1
255 1 36 ARG H 1 37 VAL H 2.000 . 3.300 2.590 2.294 2.810 . 0 0 "[ . 1 . 2]" 1
256 1 36 ARG HA 1 37 VAL H 2.000 . 4.500 3.676 3.641 3.711 . 0 0 "[ . 1 . 2]" 1
257 1 36 ARG QB 1 37 VAL H 2.000 . 4.000 2.267 2.110 2.422 . 0 0 "[ . 1 . 2]" 1
258 1 36 ARG QG 1 37 VAL H 2.000 . 3.300 3.596 3.374 3.819 0.519 5 2 "[ -+ 1 . 2]" 1
259 1 35 SER H 1 37 VAL H 2.000 . 4.500 4.148 3.721 4.471 . 0 0 "[ . 1 . 2]" 1
260 1 37 VAL QG 1 42 VAL QG 2.000 . 3.300 1.990 1.904 2.065 . 0 0 "[ . 1 . 2]" 1
261 1 37 VAL QG 1 98 TYR HB2 2.000 . 4.000 2.442 2.325 2.580 . 0 0 "[ . 1 . 2]" 1
262 1 37 VAL QG 1 57 PRO HB2 2.000 . 3.300 2.352 2.188 2.515 . 0 0 "[ . 1 . 2]" 1
263 1 37 VAL QG 1 100 ILE MD 2.000 . 4.000 2.259 2.031 2.410 . 0 0 "[ . 1 . 2]" 1
264 1 37 VAL HA 1 40 ASP QB 2.000 . 4.000 2.546 2.315 2.770 . 0 0 "[ . 1 . 2]" 1
265 1 38 ALA H 1 38 ALA HA 2.000 . 2.700 3.001 2.974 3.035 0.335 18 0 "[ . 1 . 2]" 1
266 1 38 ALA H 1 38 ALA MB 2.000 . 2.700 2.433 2.376 2.485 . 0 0 "[ . 1 . 2]" 1
267 1 37 VAL H 1 38 ALA H 2.000 . 3.300 2.777 2.583 3.009 . 0 0 "[ . 1 . 2]" 1
268 1 37 VAL HB 1 38 ALA H 2.000 . 4.000 4.558 4.445 4.619 0.619 13 18 "[******** ** +****-**]" 1
269 1 37 VAL QG 1 38 ALA H 2.000 . 3.300 3.301 3.167 3.385 0.085 17 0 "[ . 1 . 2]" 1
270 1 36 ARG H 1 38 ALA H 2.000 . 3.300 3.941 3.534 4.166 0.866 13 18 "[********** *+*** -**]" 1
271 1 36 ARG HA 1 38 ALA H 2.000 . 4.500 5.092 4.881 5.222 0.722 5 17 "[****+***-1*** *** **]" 1
272 1 36 ARG QB 1 38 ALA H 2.000 . 4.500 4.719 4.508 4.921 0.421 13 0 "[ . 1 . 2]" 1
273 1 39 ASP H 1 39 ASP HB2 2.000 . 2.700 2.325 2.228 3.333 0.633 17 1 "[ . 1 . + 2]" 1
274 1 39 ASP H 1 39 ASP HB3 2.000 . 3.300 3.464 3.316 3.558 0.258 20 0 "[ . 1 . 2]" 1
275 1 38 ALA H 1 39 ASP H 2.000 . 2.700 2.701 2.581 2.819 0.119 9 0 "[ . 1 . 2]" 1
276 1 38 ALA HA 1 39 ASP H 2.000 . 3.300 3.501 3.463 3.587 0.287 17 0 "[ . 1 . 2]" 1
277 1 38 ALA MB 1 39 ASP H 2.000 . 2.700 2.985 2.610 3.156 0.456 12 0 "[ . 1 . 2]" 1
278 1 39 ASP H 1 58 GLY QA 2.000 . 4.500 4.314 4.184 4.571 0.071 17 0 "[ . 1 . 2]" 1
279 1 39 ASP HA 1 59 SER QB 2.000 . 3.300 3.450 3.212 3.887 0.587 3 1 "[ + . 1 . 2]" 1
280 1 39 ASP H 1 40 ASP H 2.000 . 2.700 2.693 2.489 3.190 0.490 17 0 "[ . 1 . 2]" 1
281 1 39 ASP HB3 1 40 ASP H 2.000 . 4.000 3.089 2.874 4.117 0.117 17 0 "[ . 1 . 2]" 1
282 1 38 ALA H 1 40 ASP H 2.000 . 3.300 4.299 4.107 4.438 1.138 10 20 [*********+******-***] 1
283 1 38 ALA MB 1 40 ASP H 2.000 . 4.000 5.054 4.868 5.177 1.177 14 20 [***-*********+******] 1
284 1 37 VAL HA 1 40 ASP H 2.000 . 4.000 3.395 3.052 3.645 . 0 0 "[ . 1 . 2]" 1
285 1 40 ASP H 1 58 GLY QA 2.000 . 4.000 4.508 4.296 4.885 0.885 7 11 "[ * .*+ *** *- ***]" 1
286 1 40 ASP HA 1 41 PRO QD 2.000 . 2.700 2.053 2.025 2.078 . 0 0 "[ . 1 . 2]" 1
287 1 41 PRO HA 1 42 VAL H 2.000 . 2.700 2.244 2.193 2.292 . 0 0 "[ . 1 . 2]" 1
288 1 41 PRO HB3 1 42 VAL H 2.000 . 3.300 3.362 3.213 3.538 0.238 5 0 "[ . 1 . 2]" 1
289 1 42 VAL H 1 60 ALA H 2.000 . 3.300 3.583 3.371 3.807 0.507 16 1 "[ . 1 .+ 2]" 1
290 1 42 VAL H 1 60 ALA MB 2.000 . 4.000 3.681 3.494 4.042 0.042 1 0 "[ . 1 . 2]" 1
291 1 42 VAL QG 1 44 LEU MD2 2.000 . 3.300 2.053 1.995 2.130 . 0 0 "[ . 1 . 2]" 1
292 1 42 VAL QG 1 57 PRO HB2 2.000 . 3.300 2.043 1.958 2.133 . 0 0 "[ . 1 . 2]" 1
293 1 42 VAL QG 1 57 PRO HG2 2.000 . 3.300 3.045 2.768 3.213 . 0 0 "[ . 1 . 2]" 1
294 1 42 VAL QG 1 100 ILE HB 2.000 . 3.300 3.600 3.427 3.745 0.445 11 0 "[ . 1 . 2]" 1
295 1 42 VAL QG 1 98 TYR HB2 2.000 . 4.000 2.203 2.083 2.433 . 0 0 "[ . 1 . 2]" 1
296 1 42 VAL H 1 61 GLN HA 2.000 . 3.300 3.419 3.233 3.635 0.335 10 0 "[ . 1 . 2]" 1
297 1 43 VAL H 1 43 VAL QG 2.000 . 2.700 2.182 2.133 2.234 . 0 0 "[ . 1 . 2]" 1
298 1 42 VAL HB 1 43 VAL H 2.000 . 3.300 4.295 4.234 4.346 1.046 19 20 [*****-************+*] 1
299 1 42 VAL QG 1 43 VAL H 2.000 . 2.700 2.774 2.680 2.853 0.153 19 0 "[ . 1 . 2]" 1
300 1 43 VAL QG 1 62 ILE HB 2.000 . 4.000 2.345 2.254 2.442 . 0 0 "[ . 1 . 2]" 1
301 1 43 VAL QG 1 62 ILE MG 2.000 . 3.300 2.178 2.070 2.343 . 0 0 "[ . 1 . 2]" 1
302 1 43 VAL QG 1 62 ILE MD 2.000 . 3.300 2.035 1.996 2.065 . 0 0 "[ . 1 . 2]" 1
303 1 43 VAL QG 1 64 MET QG 2.000 . 4.000 3.204 3.074 3.351 . 0 0 "[ . 1 . 2]" 1
304 1 43 VAL QG 1 85 ALA MB 2.000 . 3.300 2.056 2.023 2.089 . 0 0 "[ . 1 . 2]" 1
305 1 43 VAL QG 1 99 VAL QG 2.000 . 4.000 1.966 1.922 2.007 . 0 0 "[ . 1 . 2]" 1
306 1 3 LEU QD 1 43 VAL QG 2.000 . 3.300 1.915 1.822 1.977 . 0 0 "[ . 1 . 2]" 1
307 1 42 VAL HA 1 43 VAL H 2.000 . 2.700 2.119 2.078 2.156 . 0 0 "[ . 1 . 2]" 1
308 1 43 VAL H 1 99 VAL HA 2.000 . 3.300 2.412 2.329 2.522 . 0 0 "[ . 1 . 2]" 1
309 1 43 VAL HA 1 44 LEU H 2.000 . 3.300 2.149 2.089 2.174 . 0 0 "[ . 1 . 2]" 1
310 1 43 VAL QG 1 44 LEU H 2.000 . 4.000 3.833 3.728 3.887 . 0 0 "[ . 1 . 2]" 1
311 1 44 LEU H 1 62 ILE HB 2.000 . 3.300 3.603 3.489 3.699 0.399 9 0 "[ . 1 . 2]" 1
312 1 44 LEU H 1 63 VAL HA 2.000 . 3.300 2.940 2.608 3.088 . 0 0 "[ . 1 . 2]" 1
313 1 44 LEU H 1 63 VAL QG 2.000 . 4.000 3.713 3.447 3.855 . 0 0 "[ . 1 . 2]" 1
314 1 44 LEU H 1 64 MET QG 2.000 . 4.000 4.596 4.387 4.840 0.840 12 18 "[ ****** ***+*****-**]" 1
315 1 44 LEU MD2 1 61 GLN QB 2.000 . 4.000 3.840 3.515 3.987 . 0 0 "[ . 1 . 2]" 1
316 1 44 LEU MD2 1 63 VAL QG 2.000 . 3.300 3.624 3.380 3.827 0.527 18 1 "[ . 1 . + 2]" 1
317 1 44 LEU HA 1 100 ILE HB 2.000 . 4.000 4.746 4.380 5.002 1.002 20 19 "[****-****** *******+]" 1
318 1 44 LEU MD1 1 49 PHE HB2 2.000 . 3.300 2.278 2.107 2.509 . 0 0 "[ . 1 . 2]" 1
319 1 44 LEU QB 1 100 ILE HB 2.000 . 4.000 2.848 2.551 2.957 . 0 0 "[ . 1 . 2]" 1
320 1 44 LEU HA 1 45 GLY H 2.000 . 4.000 2.688 2.590 2.812 . 0 0 "[ . 1 . 2]" 1
321 1 44 LEU QB 1 45 GLY H 2.000 . 2.700 2.068 1.963 2.256 . 0 0 "[ . 1 . 2]" 1
322 1 44 LEU HG 1 45 GLY H 2.000 . 3.300 3.564 3.234 3.773 0.473 17 0 "[ . 1 . 2]" 1
323 1 44 LEU MD1 1 45 GLY H 2.000 . 2.700 2.979 2.540 3.283 0.583 6 5 "[ **+ 1 - * 2]" 1
324 1 45 GLY H 1 48 THR HB 2.000 . 4.000 3.876 3.629 4.031 0.031 17 0 "[ . 1 . 2]" 1
325 1 45 GLY QA 1 64 MET QB 2.000 . 4.000 4.102 3.893 4.248 0.248 12 0 "[ . 1 . 2]" 1
326 1 45 GLY QA 1 105 ILE QG 2.000 . 3.300 2.463 2.363 2.600 . 0 0 "[ . 1 . 2]" 1
327 1 45 GLY QA 1 105 ILE MD 2.000 . 3.300 2.111 2.024 2.170 . 0 0 "[ . 1 . 2]" 1
328 1 46 ARG H 1 46 ARG QB 2.000 . 3.300 2.683 2.581 2.823 . 0 0 "[ . 1 . 2]" 1
329 1 46 ARG H 1 63 VAL QG 2.000 . 4.000 3.638 3.444 3.933 . 0 0 "[ . 1 . 2]" 1
330 1 46 ARG H 1 65 SER QB 2.000 . 4.500 4.573 3.710 5.081 0.581 9 2 "[ . -+1 . 2]" 1
331 1 46 ARG HA 1 49 PHE HB3 2.000 . 3.300 2.430 2.264 2.544 . 0 0 "[ . 1 . 2]" 1
332 1 46 ARG HA 1 63 VAL QG 2.000 . 3.300 3.435 3.254 3.594 0.294 8 0 "[ . 1 . 2]" 1
333 1 45 GLY QA 1 46 ARG H 2.000 . 2.700 2.241 2.153 2.293 . 0 0 "[ . 1 . 2]" 1
334 1 46 ARG H 1 50 GLU QG 2.000 . 4.000 5.809 5.597 6.161 2.161 12 20 [*******-***+********] 1
335 1 47 THR H 1 47 THR HB 2.000 . 4.000 2.737 2.438 2.974 . 0 0 "[ . 1 . 2]" 1
336 1 47 THR H 1 47 THR MG 2.000 . 4.000 3.887 3.799 3.944 . 0 0 "[ . 1 . 2]" 1
337 1 46 ARG H 1 47 THR H 2.000 . 2.700 2.427 2.263 2.621 . 0 0 "[ . 1 . 2]" 1
338 1 47 THR MG 1 48 THR MG 2.000 . 3.300 3.518 2.775 3.783 0.483 1 0 "[ . 1 . 2]" 1
339 1 47 THR MG 1 51 SER QB 2.000 . 4.000 5.149 4.693 5.666 1.666 17 20 [**************-*+***] 1
340 1 47 THR HA 1 50 GLU QB 2.000 . 4.000 3.671 3.236 4.276 0.276 5 0 "[ . 1 . 2]" 1
341 1 46 ARG HA 1 47 THR H 2.000 . 4.000 3.579 3.448 3.641 . 0 0 "[ . 1 . 2]" 1
342 1 46 ARG QB 1 47 THR H 2.000 . 2.700 3.223 2.927 3.406 0.706 17 13 "[ * *.* **1*-*** + **]" 1
343 1 45 GLY QA 1 47 THR H 2.000 . 4.000 3.438 3.031 3.725 . 0 0 "[ . 1 . 2]" 1
344 1 48 THR H 1 48 THR MG 2.000 . 4.000 2.339 2.137 2.694 . 0 0 "[ . 1 . 2]" 1
345 1 47 THR H 1 48 THR H 2.000 . 2.700 3.445 3.233 3.686 0.986 5 20 [****+**-************] 1
346 1 47 THR HA 1 48 THR H 2.000 . 4.000 3.624 3.593 3.679 . 0 0 "[ . 1 . 2]" 1
347 1 47 THR MG 1 48 THR H 2.000 . 4.000 3.007 2.478 3.430 . 0 0 "[ . 1 . 2]" 1
348 1 48 THR MG 1 52 MET ME 2.000 . 4.000 4.130 3.747 4.436 0.436 5 0 "[ . 1 . 2]" 1
349 1 48 THR MG 1 100 ILE MG 2.000 . 4.000 2.318 2.091 2.625 . 0 0 "[ . 1 . 2]" 1
350 1 45 GLY QA 1 48 THR H 2.000 . 4.000 3.797 2.893 4.314 0.314 13 0 "[ . 1 . 2]" 1
351 1 49 PHE H 1 49 PHE HB3 2.000 . 3.300 2.782 2.665 2.879 . 0 0 "[ . 1 . 2]" 1
352 1 49 PHE H 1 49 PHE HB2 2.000 . 3.300 2.754 2.561 3.099 . 0 0 "[ . 1 . 2]" 1
353 1 48 THR H 1 49 PHE H 2.000 . 2.700 3.250 2.937 3.621 0.921 13 12 "[-* .* ****+ . ****]" 1
354 1 48 THR HA 1 49 PHE H 2.000 . 4.000 3.571 3.422 3.664 . 0 0 "[ . 1 . 2]" 1
355 1 48 THR MG 1 49 PHE H 2.000 . 4.000 4.338 4.197 4.467 0.467 20 0 "[ . 1 . 2]" 1
356 1 46 ARG HA 1 49 PHE H 2.000 . 4.000 3.008 2.814 3.108 . 0 0 "[ . 1 . 2]" 1
357 1 46 ARG QD 1 49 PHE HB3 2.000 . 3.300 2.411 2.280 2.553 . 0 0 "[ . 1 . 2]" 1
358 1 44 LEU MD1 1 49 PHE H 2.000 . 3.300 2.923 2.597 3.244 . 0 0 "[ . 1 . 2]" 1
359 1 44 LEU MD1 1 49 PHE HA 2.000 . 3.300 2.397 2.296 2.487 . 0 0 "[ . 1 . 2]" 1
360 1 44 LEU HG 1 49 PHE HB2 2.000 . 2.700 3.085 2.868 3.400 0.700 17 5 "[ . * *1 . +-*2]" 1
361 1 44 LEU HG 1 49 PHE HA 2.000 . 4.000 4.579 4.353 4.847 0.847 17 15 "[***-.****1** * +***]" 1
362 1 44 LEU HG 1 49 PHE H 2.000 . 4.000 4.916 4.463 5.444 1.444 20 19 "[************-** ***+]" 1
363 1 47 THR H 1 49 PHE H 2.000 . 4.500 4.226 3.823 4.537 0.037 16 0 "[ . 1 . 2]" 1
364 1 49 PHE HA 1 52 MET QB 2.000 . 3.300 2.139 1.977 2.401 . 0 0 "[ . 1 . 2]" 1
365 1 49 PHE HD2 1 61 GLN QG 2.000 . 3.300 2.696 2.405 2.978 . 0 0 "[ . 1 . 2]" 1
366 1 49 PHE HD2 1 61 GLN QB 2.000 . 4.000 4.410 3.460 4.810 0.810 17 9 "[ .*-**1*** * + 2]" 1
367 1 49 PHE QE 1 61 GLN QB 2.000 . 3.300 2.759 2.191 3.106 . 0 0 "[ . 1 . 2]" 1
368 1 49 PHE QE 1 71 PHE QD 2.000 . 3.300 3.177 3.045 3.287 . 0 0 "[ . 1 . 2]" 1
369 1 49 PHE QE 1 71 PHE HB2 2.000 . 3.300 3.351 2.559 3.927 0.627 11 1 "[ . 1+ . 2]" 1
370 1 50 GLU H 1 50 GLU QB 2.000 . 2.700 2.471 2.396 2.532 . 0 0 "[ . 1 . 2]" 1
371 1 50 GLU H 1 50 GLU QG 2.000 . 3.300 2.683 2.561 2.890 . 0 0 "[ . 1 . 2]" 1
372 1 47 THR HA 1 50 GLU H 2.000 . 4.000 4.155 3.915 4.531 0.531 5 2 "[ + - 1 . 2]" 1
373 1 46 ARG QD 1 50 GLU H 2.000 . 2.700 4.064 3.484 4.530 1.830 10 20 [*********+*-********] 1
374 1 49 PHE H 1 50 GLU H 2.000 . 2.700 2.591 2.205 2.792 0.092 16 0 "[ . 1 . 2]" 1
375 1 49 PHE HA 1 50 GLU H 2.000 . 4.000 3.542 3.493 3.586 . 0 0 "[ . 1 . 2]" 1
376 1 50 GLU HA 1 53 ARG HB2 2.000 . 3.300 3.492 3.023 4.143 0.843 14 4 "[ *. 1 *-+. 2]" 1
377 1 49 PHE HB3 1 50 GLU H 2.000 . 2.700 3.090 2.907 3.290 0.590 5 2 "[ + 1 - . 2]" 1
378 1 51 SER H 1 51 SER QB 2.000 . 3.300 2.368 2.122 2.624 . 0 0 "[ . 1 . 2]" 1
379 1 50 GLU H 1 51 SER H 2.000 . 2.700 2.665 2.566 2.869 0.169 12 0 "[ . 1 . 2]" 1
380 1 50 GLU HA 1 51 SER H 2.000 . 4.000 3.535 3.447 3.634 . 0 0 "[ . 1 . 2]" 1
381 1 50 GLU QB 1 51 SER H 2.000 . 2.700 3.182 2.956 3.360 0.660 5 11 "[ * + * *- *.*****]" 1
382 1 47 THR HA 1 51 SER H 2.000 . 4.500 4.910 4.587 5.527 1.027 5 4 "[ -+ * 1 * . 2]" 1
383 1 48 THR HA 1 51 SER H 2.000 . 4.000 3.872 3.756 4.033 0.033 1 0 "[ . 1 . 2]" 1
384 1 51 SER H 1 52 MET H 2.000 . 2.700 3.107 2.630 3.410 0.710 2 8 "[*+ .* *1- * ** 2]" 1
385 1 51 SER HA 1 52 MET H 2.000 . 4.000 3.606 3.488 3.696 . 0 0 "[ . 1 . 2]" 1
386 1 51 SER QB 1 52 MET H 2.000 . 4.000 2.316 1.978 2.978 . 0 0 "[ . 1 . 2]" 1
387 1 49 PHE HA 1 52 MET H 2.000 . 3.300 2.963 2.540 3.383 0.083 17 0 "[ . 1 . 2]" 1
388 1 52 MET H 1 52 MET QB 2.000 . 3.300 2.466 2.138 2.768 . 0 0 "[ . 1 . 2]" 1
389 1 44 LEU MD1 1 52 MET ME 2.000 . 4.000 2.201 1.951 2.316 . 0 0 "[ . 1 . 2]" 1
390 1 52 MET ME 1 57 PRO HG3 2.000 . 3.300 2.648 2.179 2.988 . 0 0 "[ . 1 . 2]" 1
391 1 52 MET ME 1 100 ILE MG 2.000 . 4.000 3.030 2.703 3.299 . 0 0 "[ . 1 . 2]" 1
392 1 52 MET ME 1 100 ILE MD 2.000 . 4.000 2.972 2.698 3.237 . 0 0 "[ . 1 . 2]" 1
393 1 52 MET ME 1 100 ILE HB 2.000 . 4.000 2.951 2.453 3.443 . 0 0 "[ . 1 . 2]" 1
394 1 53 ARG H 1 53 ARG HB3 2.000 . 2.700 2.356 2.079 2.679 . 0 0 "[ . 1 . 2]" 1
395 1 52 MET HA 1 53 ARG H 2.000 . 4.500 3.344 3.228 3.419 . 0 0 "[ . 1 . 2]" 1
396 1 52 MET H 1 53 ARG H 2.000 . 2.700 3.175 2.968 3.501 0.801 17 10 "[** - * *1 ** . +* *]" 1
397 1 52 MET QB 1 53 ARG H 2.000 . 2.700 2.936 2.748 3.150 0.450 1 0 "[ . 1 . 2]" 1
398 1 51 SER H 1 53 ARG H 2.000 . 4.000 4.578 4.261 4.883 0.883 6 14 "[ ***.+ *******-** 2]" 1
399 1 51 SER HA 1 53 ARG H 2.000 . 4.000 4.471 4.176 4.607 0.607 6 10 "[ **+ **- **. ** 2]" 1
400 1 50 GLU HA 1 53 ARG H 2.000 . 4.500 3.920 3.649 4.131 . 0 0 "[ . 1 . 2]" 1
401 1 54 ASP H 1 54 ASP QB 2.000 . 2.700 2.391 2.271 2.551 . 0 0 "[ . 1 . 2]" 1
402 1 53 ARG HA 1 54 ASP H 2.000 . 3.300 3.525 3.432 3.598 0.298 11 0 "[ . 1 . 2]" 1
403 1 53 ARG H 1 54 ASP H 2.000 . 2.700 2.877 2.681 3.037 0.337 9 0 "[ . 1 . 2]" 1
404 1 53 ARG HB3 1 54 ASP H 2.000 . 2.700 3.055 2.738 3.560 0.860 5 5 "[ * *+ 1 * -. 2]" 1
405 1 52 MET HA 1 54 ASP H 2.000 . 4.500 3.301 3.098 3.680 . 0 0 "[ . 1 . 2]" 1
406 1 52 MET H 1 54 ASP H 2.000 . 4.000 4.506 4.363 4.652 0.652 13 11 "[* -*** ** *+ . * *]" 1
407 1 54 ASP HA 1 55 ASP H 2.000 . 3.300 3.671 3.607 3.772 0.472 17 0 "[ . 1 . 2]" 1
408 1 54 ASP H 1 55 ASP H 2.000 . 2.700 2.940 2.544 3.139 0.439 16 0 "[ . 1 . 2]" 1
409 1 54 ASP QB 1 55 ASP H 2.000 . 2.700 2.400 2.113 2.882 0.182 17 0 "[ . 1 . 2]" 1
410 1 52 MET HA 1 55 ASP H 2.000 . 4.500 3.149 2.627 3.644 . 0 0 "[ . 1 . 2]" 1
411 1 53 ARG H 1 55 ASP H 2.000 . 4.000 5.157 4.610 5.506 1.506 16 20 [**-************+****] 1
412 1 52 MET H 1 55 ASP H 2.000 . 4.000 5.329 4.735 5.704 1.704 5 20 [****+***********-***] 1
413 1 56 LEU H 1 56 LEU QB 2.000 . 2.700 2.829 2.502 2.976 0.276 1 0 "[ . 1 . 2]" 1
414 1 56 LEU H 1 56 LEU HG 2.000 . 3.300 4.007 3.829 4.144 0.844 5 20 [****+***********-***] 1
415 1 56 LEU H 1 56 LEU MD2 2.000 . 2.700 2.117 1.932 3.057 0.357 10 0 "[ . 1 . 2]" 1
416 1 56 LEU H 1 56 LEU MD1 2.000 . 2.700 2.453 2.212 2.695 . 0 0 "[ . 1 . 2]" 1
417 1 55 ASP QB 1 56 LEU H 2.000 . 3.300 3.619 3.008 3.889 0.589 15 4 "[ * . - 1 +* 2]" 1
418 1 56 LEU MD1 1 73 VAL QG 2.000 . 3.300 2.480 2.077 2.669 . 0 0 "[ . 1 . 2]" 1
419 1 42 VAL HB 1 57 PRO HB2 2.000 . 4.000 3.032 2.708 3.355 . 0 0 "[ . 1 . 2]" 1
420 1 57 PRO HA 1 58 GLY H 2.000 . 4.000 3.559 3.487 3.612 . 0 0 "[ . 1 . 2]" 1
421 1 57 PRO HB2 1 58 GLY H 2.000 . 3.300 2.580 2.274 2.828 . 0 0 "[ . 1 . 2]" 1
422 1 57 PRO QD 1 58 GLY H 2.000 . 2.700 3.074 2.639 3.455 0.755 8 8 "[* .* +*1 .**- *]" 1
423 1 56 LEU QB 1 58 GLY H 2.000 . 4.000 4.385 3.898 4.640 0.640 15 7 "[* -*. * 1 * +* 2]" 1
424 1 41 PRO HA 1 58 GLY QA 2.000 . 4.000 4.277 3.630 4.747 0.747 2 8 "[ + . **** * *. -]" 1
425 1 42 VAL QG 1 58 GLY QA 2.000 . 4.000 3.429 3.079 3.762 . 0 0 "[ . 1 . 2]" 1
426 1 38 ALA HA 1 58 GLY QA 2.000 . 3.300 2.038 1.973 2.133 . 0 0 "[ . 1 . 2]" 1
427 1 58 GLY H 1 61 GLN QG 2.000 . 4.000 4.614 4.067 4.893 0.893 15 17 "[* **** *******+***-2]" 1
428 1 59 SER H 1 59 SER HA 2.000 . 2.700 2.838 2.789 2.903 0.203 1 0 "[ . 1 . 2]" 1
429 1 59 SER H 1 59 SER QB 2.000 . 2.700 2.197 2.152 2.304 . 0 0 "[ . 1 . 2]" 1
430 1 58 GLY QA 1 59 SER H 2.000 . 3.300 2.196 2.129 2.302 . 0 0 "[ . 1 . 2]" 1
431 1 58 GLY H 1 59 SER H 2.000 . 3.300 4.368 4.232 4.538 1.238 3 20 [**+********-********] 1
432 1 60 ALA H 1 60 ALA MB 2.000 . 3.300 2.945 2.848 3.045 . 0 0 "[ . 1 . 2]" 1
433 1 59 SER H 1 60 ALA H 2.000 . 2.700 3.169 2.961 3.279 0.579 10 8 "[ ** - * + *. **2]" 1
434 1 59 SER HA 1 60 ALA H 2.000 . 2.700 3.451 3.328 3.554 0.854 9 20 [*******-+***********] 1
435 1 59 SER QB 1 60 ALA H 2.000 . 3.300 3.292 3.033 3.474 0.174 5 0 "[ . 1 . 2]" 1
436 1 58 GLY H 1 60 ALA H 2.000 . 3.300 3.624 3.433 4.089 0.789 13 3 "[* . -1 + . 2]" 1
437 1 41 PRO HB3 1 60 ALA MB 2.000 . 4.000 2.148 2.105 2.205 . 0 0 "[ . 1 . 2]" 1
438 1 60 ALA MB 1 92 LEU HG 2.000 . 3.300 3.796 3.741 3.860 0.560 2 9 "[ +* - ** ** .* *]" 1
439 1 60 ALA MB 1 92 LEU QD 2.000 . 3.300 1.780 1.743 1.815 . 0 0 "[ . 1 . 2]" 1
440 1 60 ALA HA 1 61 GLN H 2.000 . 2.700 2.278 2.179 2.353 . 0 0 "[ . 1 . 2]" 1
441 1 60 ALA MB 1 61 GLN H 2.000 . 2.700 2.423 2.202 2.548 . 0 0 "[ . 1 . 2]" 1
442 1 60 ALA H 1 61 GLN H 2.000 . 4.500 4.488 4.424 4.541 0.041 9 0 "[ . 1 . 2]" 1
443 1 61 GLN H 1 76 ALA HA 2.000 . 2.700 2.857 2.566 3.110 0.410 19 0 "[ . 1 . 2]" 1
444 1 42 VAL HB 1 61 GLN HA 2.000 . 3.300 3.367 3.173 3.546 0.246 20 0 "[ . 1 . 2]" 1
445 1 44 LEU MD2 1 61 GLN HA 2.000 . 4.000 2.823 2.536 2.970 . 0 0 "[ . 1 . 2]" 1
446 1 56 LEU HG 1 61 GLN QE 2.000 . 3.300 3.340 2.432 4.585 1.285 7 3 "[ * . + 1 . -]" 1
447 1 56 LEU MD1 1 61 GLN QE 2.000 . 4.000 1.902 1.669 2.480 . 0 0 "[ . 1 . 2]" 1
448 1 61 GLN QE 1 73 VAL QG 2.000 . 4.000 2.593 2.308 3.996 . 0 0 "[ . 1 . 2]" 1
449 1 57 PRO QD 1 61 GLN HG3 2.000 . 3.300 2.433 2.259 2.606 . 0 0 "[ . 1 . 2]" 1
450 1 62 ILE H 1 62 ILE QG 2.000 . 3.300 2.887 2.759 3.047 . 0 0 "[ . 1 . 2]" 1
451 1 62 ILE H 1 62 ILE MG 2.000 . 3.300 3.806 3.757 3.849 0.549 2 13 "[ + ** **** **-.* **]" 1
452 1 61 GLN HA 1 62 ILE H 2.000 . 3.300 2.140 2.055 2.210 . 0 0 "[ . 1 . 2]" 1
453 1 61 GLN QG 1 62 ILE H 2.000 . 4.000 3.631 3.325 3.957 . 0 0 "[ . 1 . 2]" 1
454 1 42 VAL H 1 62 ILE H 2.000 . 3.300 3.866 3.670 4.126 0.826 5 14 "[****+* * 1 **.**-**]" 1
455 1 44 LEU H 1 62 ILE H 2.000 . 3.300 3.853 3.700 4.002 0.702 9 14 "[* * .* *+*-** *****2]" 1
456 1 62 ILE MG 1 79 ALA MB 2.000 . 3.300 1.952 1.909 2.014 . 0 0 "[ . 1 . 2]" 1
457 1 41 PRO HB3 1 62 ILE MD 2.000 . 4.000 2.619 2.513 2.877 . 0 0 "[ . 1 . 2]" 1
458 1 62 ILE MD 1 88 ILE HB 2.000 . 4.000 4.653 4.593 4.729 0.729 2 20 [*+-*****************] 1
459 1 62 ILE MD 1 89 ALA MB 2.000 . 3.300 2.155 2.093 2.204 . 0 0 "[ . 1 . 2]" 1
460 1 62 ILE HA 1 77 HIS HB2 2.000 . 4.000 3.253 3.127 3.422 . 0 0 "[ . 1 . 2]" 1
461 1 62 ILE MG 1 85 ALA MB 2.000 . 3.300 2.296 2.239 2.355 . 0 0 "[ . 1 . 2]" 1
462 1 63 VAL H 1 63 VAL HB 2.000 . 2.700 2.666 2.512 2.897 0.197 16 0 "[ . 1 . 2]" 1
463 1 63 VAL H 1 63 VAL QG 2.000 . 3.300 2.755 2.512 3.002 . 0 0 "[ . 1 . 2]" 1
464 1 62 ILE HA 1 63 VAL H 2.000 . 3.300 2.266 2.212 2.321 . 0 0 "[ . 1 . 2]" 1
465 1 62 ILE HB 1 63 VAL H 2.000 . 4.000 4.518 4.347 4.594 0.594 19 13 "[ **.**- ** ** **+*]" 1
466 1 62 ILE QG 1 63 VAL H 2.000 . 3.300 4.305 4.210 4.447 1.147 19 20 [***********-******+*] 1
467 1 62 ILE MG 1 63 VAL H 2.000 . 2.700 3.174 2.860 3.342 0.642 19 11 "[ **.* * 1* *- **+*]" 1
468 1 49 PHE HB2 1 63 VAL QG 2.000 . 3.300 2.396 2.222 2.571 . 0 0 "[ . 1 . 2]" 1
469 1 46 ARG QG 1 63 VAL QG 2.000 . 3.300 2.274 2.131 2.387 . 0 0 "[ . 1 . 2]" 1
470 1 44 LEU HG 1 63 VAL QG 2.000 . 3.300 2.696 2.321 2.935 . 0 0 "[ . 1 . 2]" 1
471 1 63 VAL QG 1 65 SER QB 2.000 . 4.000 2.367 1.992 3.413 . 0 0 "[ . 1 . 2]" 1
472 1 63 VAL QG 1 78 ARG QG 2.000 . 4.500 3.063 2.518 4.845 0.345 9 0 "[ . 1 . 2]" 1
473 1 61 GLN QB 1 63 VAL QG 2.000 . 4.000 4.722 4.027 5.065 1.065 13 16 "[* -******1**+** ***2]" 1
474 1 63 VAL H 1 78 ARG HA 2.000 . 4.000 2.283 1.959 2.771 . 0 0 "[ . 1 . 2]" 1
475 1 64 MET H 1 64 MET QB 2.000 . 3.300 2.207 2.092 2.278 . 0 0 "[ . 1 . 2]" 1
476 1 64 MET H 1 64 MET QG 2.000 . 3.300 3.156 2.938 3.348 0.048 5 0 "[ . 1 . 2]" 1
477 1 63 VAL HA 1 64 MET H 2.000 . 3.300 2.074 2.033 2.110 . 0 0 "[ . 1 . 2]" 1
478 1 63 VAL QG 1 64 MET H 2.000 . 3.300 2.895 2.597 3.019 . 0 0 "[ . 1 . 2]" 1
479 1 62 ILE MG 1 64 MET H 2.000 . 4.500 3.604 3.454 3.774 . 0 0 "[ . 1 . 2]" 1
480 1 43 VAL HA 1 64 MET H 2.000 . 4.500 4.587 4.444 4.743 0.243 18 0 "[ . 1 . 2]" 1
481 1 45 GLY QA 1 64 MET H 2.000 . 3.300 3.855 3.645 4.050 0.750 16 14 "[** *.* *** * *+*-**]" 1
482 1 64 MET HA 1 79 ALA MB 2.000 . 4.000 2.697 2.527 2.834 . 0 0 "[ . 1 . 2]" 1
483 1 44 LEU H 1 64 MET H 2.000 . 3.300 3.405 3.176 3.606 0.306 12 0 "[ . 1 . 2]" 1
484 1 64 MET ME 1 81 SER H 2.000 . 3.300 3.535 3.189 3.836 0.536 2 1 "[ + . 1 . 2]" 1
485 1 64 MET ME 1 82 VAL H 2.000 . 4.000 3.358 3.205 3.594 . 0 0 "[ . 1 . 2]" 1
486 1 64 MET ME 1 82 VAL HA 2.000 . 4.000 3.753 3.639 3.903 . 0 0 "[ . 1 . 2]" 1
487 1 64 MET ME 1 108 LEU QD 2.000 . 3.300 1.928 1.868 2.003 . 0 0 "[ . 1 . 2]" 1
488 1 64 MET ME 1 81 SER HA 2.000 . 3.300 2.202 2.120 2.312 . 0 0 "[ . 1 . 2]" 1
489 1 64 MET HA 1 65 SER H 2.000 . 2.700 2.143 2.024 2.235 . 0 0 "[ . 1 . 2]" 1
490 1 64 MET QB 1 65 SER H 2.000 . 3.300 3.842 3.678 3.921 0.621 10 15 "[ *-.*** +****** ***]" 1
491 1 65 SER H 1 78 ARG QD 2.000 . 4.500 2.766 2.525 3.175 . 0 0 "[ . 1 . 2]" 1
492 1 65 SER H 1 79 ALA MB 2.000 . 3.300 3.979 3.800 4.120 0.820 20 20 [****-**************+] 1
493 1 65 SER H 1 65 SER QB 2.000 . 4.000 3.111 2.878 3.617 . 0 0 "[ . 1 . 2]" 1
494 1 64 MET QG 1 65 SER H 2.000 . 4.000 4.162 4.015 4.269 0.269 7 0 "[ . 1 . 2]" 1
495 1 67 SER H 1 67 SER HB3 2.000 . 4.000 3.237 2.460 4.402 0.402 14 0 "[ . 1 . 2]" 1
496 1 68 GLU H 1 68 GLU QB 2.000 . 3.300 2.654 2.237 3.388 0.088 16 0 "[ . 1 . 2]" 1
497 1 68 GLU H 1 68 GLU QG 2.000 . 2.700 2.611 2.064 3.504 0.804 19 1 "[ . 1 . +2]" 1
498 1 67 SER HA 1 68 GLU H 2.000 . 2.700 2.557 2.087 3.030 0.330 19 0 "[ . 1 . 2]" 1
499 1 67 SER HB3 1 68 GLU H 2.000 . 4.500 3.345 1.959 4.547 0.047 17 0 "[ . 1 . 2]" 1
500 1 70 SER H 1 70 SER HA 2.000 . 2.700 2.637 2.322 3.058 0.358 12 0 "[ . 1 . 2]" 1
501 1 70 SER H 1 70 SER QB 2.000 . 4.000 3.071 2.311 3.678 . 0 0 "[ . 1 . 2]" 1
502 1 69 ARG QB 1 70 SER H 2.000 . 4.000 2.991 2.044 4.096 0.096 12 0 "[ . 1 . 2]" 1
503 1 71 PHE H 1 71 PHE HB3 2.000 . 4.000 3.804 3.606 4.003 0.003 5 0 "[ . 1 . 2]" 1
504 1 71 PHE H 1 71 PHE HB2 2.000 . 2.700 2.680 2.384 2.952 0.252 12 0 "[ . 1 . 2]" 1
505 1 70 SER HA 1 71 PHE H 2.000 . 2.700 2.223 2.072 2.542 . 0 0 "[ . 1 . 2]" 1
506 1 70 SER QB 1 71 PHE H 2.000 . 4.000 3.231 2.493 4.035 0.035 11 0 "[ . 1 . 2]" 1
507 1 63 VAL HB 1 71 PHE HZ 2.000 . 3.300 2.483 2.305 3.643 0.343 9 0 "[ . 1 . 2]" 1
508 1 71 PHE HZ 1 78 ARG QG 2.000 . 3.300 2.459 2.005 3.317 0.017 9 0 "[ . 1 . 2]" 1
509 1 73 VAL H 1 73 VAL QG 2.000 . 2.700 2.262 2.208 2.450 . 0 0 "[ . 1 . 2]" 1
510 1 72 SER HA 1 73 VAL H 2.000 . 3.300 3.611 3.500 3.641 0.341 3 0 "[ . 1 . 2]" 1
511 1 72 SER QB 1 73 VAL H 2.000 . 2.700 2.650 2.481 3.026 0.326 16 0 "[ . 1 . 2]" 1
512 1 56 LEU MD2 1 73 VAL QG 2.000 . 3.300 2.829 2.262 2.919 . 0 0 "[ . 1 . 2]" 1
513 1 73 VAL HB 1 76 ALA MB 2.000 . 3.300 4.195 4.040 4.282 0.982 9 20 [*-******+***********] 1
514 1 49 PHE HZ 1 73 VAL QG 2.000 . 4.000 4.126 3.809 4.589 0.589 4 1 "[ +. 1 . 2]" 1
515 1 49 PHE QE 1 73 VAL QG 2.000 . 4.000 4.430 4.094 4.744 0.744 4 8 "[ +- *1****. * 2]" 1
516 1 74 ASP H 1 74 ASP QB 2.000 . 4.500 2.386 2.122 2.791 . 0 0 "[ . 1 . 2]" 1
517 1 75 THR H 1 75 THR MG 2.000 . 3.300 2.641 2.460 2.791 . 0 0 "[ . 1 . 2]" 1
518 1 74 ASP QB 1 75 THR H 2.000 . 4.500 2.885 2.594 3.369 . 0 0 "[ . 1 . 2]" 1
519 1 73 VAL HA 1 75 THR H 2.000 . 3.300 4.601 4.267 4.856 1.556 19 20 [*********-********+*] 1
520 1 73 VAL QG 1 75 THR H 2.000 . 2.700 2.062 1.852 2.277 . 0 0 "[ . 1 . 2]" 1
521 1 60 ALA MB 1 75 THR MG 2.000 . 4.000 3.800 3.557 4.034 0.034 15 0 "[ . 1 . 2]" 1
522 1 75 THR H 1 75 THR HB 2.000 . 4.000 3.000 2.374 3.754 . 0 0 "[ . 1 . 2]" 1
523 1 74 ASP HA 1 75 THR H 2.000 . 4.000 3.620 3.521 3.670 . 0 0 "[ . 1 . 2]" 1
524 1 60 ALA HA 1 75 THR MG 2.000 . 3.300 2.815 2.229 3.696 0.396 15 0 "[ . 1 . 2]" 1
525 1 76 ALA H 1 76 ALA MB 2.000 . 4.000 2.748 2.577 2.860 . 0 0 "[ . 1 . 2]" 1
526 1 75 THR HA 1 76 ALA H 2.000 . 2.700 2.767 2.564 2.976 0.276 7 0 "[ . 1 . 2]" 1
527 1 73 VAL QG 1 76 ALA H 2.000 . 2.700 3.164 2.839 3.483 0.783 16 10 "[ **.- *1* * *+** 2]" 1
528 1 73 VAL QG 1 76 ALA MB 2.000 . 3.300 1.978 1.911 2.002 . 0 0 "[ . 1 . 2]" 1
529 1 71 PHE HB2 1 76 ALA MB 2.000 . 4.000 2.619 2.141 3.293 . 0 0 "[ . 1 . 2]" 1
530 1 61 GLN QB 1 76 ALA MB 2.000 . 3.300 2.258 2.139 2.405 . 0 0 "[ . 1 . 2]" 1
531 1 61 GLN QG 1 76 ALA MB 2.000 . 4.000 3.661 3.544 3.789 . 0 0 "[ . 1 . 2]" 1
532 1 61 GLN QB 1 76 ALA HA 2.000 . 4.000 2.143 2.058 2.252 . 0 0 "[ . 1 . 2]" 1
533 1 60 ALA HA 1 76 ALA HA 2.000 . 4.000 4.607 4.336 4.864 0.864 19 12 "[ - .******* *. * +*]" 1
534 1 49 PHE HZ 1 76 ALA MB 2.000 . 4.000 2.339 2.138 2.553 . 0 0 "[ . 1 . 2]" 1
535 1 49 PHE QE 1 76 ALA MB 2.000 . 4.000 2.650 2.457 2.878 . 0 0 "[ . 1 . 2]" 1
536 1 77 HIS H 1 77 HIS HB3 2.000 . 4.000 3.860 3.774 3.945 . 0 0 "[ . 1 . 2]" 1
537 1 77 HIS H 1 77 HIS HB2 2.000 . 2.700 2.696 2.569 2.811 0.111 13 0 "[ . 1 . 2]" 1
538 1 76 ALA MB 1 77 HIS H 2.000 . 4.000 2.927 2.807 3.087 . 0 0 "[ . 1 . 2]" 1
539 1 76 ALA HA 1 77 HIS H 2.000 . 2.700 2.024 1.952 2.093 . 0 0 "[ . 1 . 2]" 1
540 1 62 ILE HA 1 77 HIS H 2.000 . 3.300 3.426 3.260 3.661 0.361 2 0 "[ . 1 . 2]" 1
541 1 61 GLN H 1 77 HIS H 2.000 . 4.000 3.893 3.663 4.156 0.156 9 0 "[ . 1 . 2]" 1
542 1 60 ALA HA 1 77 HIS HE1 2.000 . 4.000 5.083 4.611 5.539 1.539 2 20 [*+*********-********] 1
543 1 78 ARG H 1 78 ARG QB 2.000 . 2.700 2.760 2.462 3.257 0.557 19 1 "[ . 1 . +2]" 1
544 1 78 ARG H 1 78 ARG QG 2.000 . 3.300 4.374 3.984 4.525 1.225 3 20 [**+***************-*] 1
545 1 77 HIS HA 1 78 ARG H 2.000 . 2.700 2.589 2.420 2.859 0.159 5 0 "[ . 1 . 2]" 1
546 1 77 HIS HB3 1 78 ARG H 2.000 . 2.700 2.427 2.135 2.634 . 0 0 "[ . 1 . 2]" 1
547 1 78 ARG H 1 88 ILE MD 2.000 . 4.000 3.043 2.631 3.433 . 0 0 "[ . 1 . 2]" 1
548 1 63 VAL HB 1 78 ARG HA 2.000 . 3.300 3.009 2.717 3.487 0.187 16 0 "[ . 1 . 2]" 1
549 1 79 ALA H 1 79 ALA MB 2.000 . 3.300 2.290 2.150 2.504 . 0 0 "[ . 1 . 2]" 1
550 1 78 ARG HA 1 79 ALA H 2.000 . 2.700 2.140 2.049 2.222 . 0 0 "[ . 1 . 2]" 1
551 1 78 ARG QB 1 79 ALA H 2.000 . 4.000 3.831 3.275 4.019 0.019 17 0 "[ . 1 . 2]" 1
552 1 65 SER H 1 79 ALA H 2.000 . 3.300 4.165 3.835 4.453 1.153 17 20 [*-**************+***] 1
553 1 64 MET QB 1 79 ALA MB 2.000 . 4.000 4.037 3.914 4.211 0.211 9 0 "[ . 1 . 2]" 1
554 1 64 MET QG 1 79 ALA MB 2.000 . 4.000 2.337 2.115 2.519 . 0 0 "[ . 1 . 2]" 1
555 1 79 ALA MB 1 84 GLU HB3 2.000 . 4.000 3.375 3.231 3.665 . 0 0 "[ . 1 . 2]" 1
556 1 79 ALA MB 1 88 ILE MD 2.000 . 3.300 3.782 3.679 3.998 0.698 1 5 "[+* - 1 *.* 2]" 1
557 1 79 ALA HA 1 84 GLU HB3 2.000 . 4.000 2.924 2.597 3.122 . 0 0 "[ . 1 . 2]" 1
558 1 79 ALA HA 1 88 ILE MD 2.000 . 4.000 4.294 4.188 4.454 0.454 16 0 "[ . 1 . 2]" 1
559 1 64 MET HA 1 79 ALA H 2.000 . 3.300 3.807 3.567 4.033 0.733 15 9 "[ *. ***1 * +-** 2]" 1
560 1 79 ALA HA 1 80 ALA H 2.000 . 2.700 2.238 2.099 2.331 . 0 0 "[ . 1 . 2]" 1
561 1 78 ARG QD 1 80 ALA H 2.000 . 4.000 4.328 3.911 4.891 0.891 2 5 "[ + * 1 - ** 2]" 1
562 1 80 ALA H 1 84 GLU HB3 2.000 . 3.300 2.475 2.165 2.661 . 0 0 "[ . 1 . 2]" 1
563 1 80 ALA MB 1 84 GLU HB2 2.000 . 3.300 3.511 3.191 3.698 0.398 6 0 "[ . 1 . 2]" 1
564 1 81 SER H 1 81 SER QB 2.000 . 3.300 2.661 2.279 3.072 . 0 0 "[ . 1 . 2]" 1
565 1 80 ALA H 1 81 SER H 2.000 . 2.700 2.542 2.313 2.795 0.095 2 0 "[ . 1 . 2]" 1
566 1 80 ALA MB 1 81 SER H 2.000 . 4.000 3.043 2.753 3.306 . 0 0 "[ . 1 . 2]" 1
567 1 79 ALA HA 1 81 SER H 2.000 . 3.300 4.141 3.868 4.533 1.233 2 20 [*+*************-****] 1
568 1 79 ALA MB 1 81 SER H 2.000 . 2.700 3.180 2.892 3.559 0.859 2 8 "[ + . * *1*- ** * 2]" 1
569 1 81 SER H 1 84 GLU HB3 2.000 . 3.300 3.234 2.949 3.446 0.146 2 0 "[ . 1 . 2]" 1
570 1 81 SER HA 1 108 LEU QD 2.000 . 4.000 3.795 3.710 3.883 . 0 0 "[ . 1 . 2]" 1
571 1 82 VAL H 1 82 VAL HB 2.000 . 3.300 2.718 2.650 2.788 . 0 0 "[ . 1 . 2]" 1
572 1 82 VAL H 1 82 VAL QG 2.000 . 3.300 2.798 2.625 2.909 . 0 0 "[ . 1 . 2]" 1
573 1 81 SER H 1 82 VAL H 2.000 . 4.500 4.385 4.244 4.446 . 0 0 "[ . 1 . 2]" 1
574 1 81 SER HA 1 82 VAL H 2.000 . 3.300 2.766 2.653 2.862 . 0 0 "[ . 1 . 2]" 1
575 1 81 SER QB 1 82 VAL H 2.000 . 4.000 2.682 2.080 3.114 . 0 0 "[ . 1 . 2]" 1
576 1 82 VAL QG 1 86 VAL QG 2.000 . 3.300 2.665 2.576 2.739 . 0 0 "[ . 1 . 2]" 1
577 1 82 VAL QG 1 112 HIS HB3 2.000 . 4.500 2.132 2.065 2.182 . 0 0 "[ . 1 . 2]" 1
578 1 82 VAL QG 1 112 HIS HB2 2.000 . 4.000 2.392 2.297 2.553 . 0 0 "[ . 1 . 2]" 1
579 1 82 VAL QG 1 108 LEU HG 2.000 . 3.300 3.894 3.746 4.037 0.737 10 19 "[ **-*****+**********]" 1
580 1 82 VAL QG 1 108 LEU QD 2.000 . 3.300 2.048 1.989 2.127 . 0 0 "[ . 1 . 2]" 1
581 1 82 VAL HA 1 86 VAL QG 2.000 . 4.000 4.283 4.192 4.366 0.366 18 0 "[ . 1 . 2]" 1
582 1 82 VAL HA 1 85 ALA MB 2.000 . 3.300 2.420 2.325 2.548 . 0 0 "[ . 1 . 2]" 1
583 1 83 GLU H 1 83 GLU HB3 2.000 . 3.300 3.614 3.561 3.672 0.372 2 0 "[ . 1 . 2]" 1
584 1 83 GLU H 1 83 GLU HB2 2.000 . 2.700 2.678 2.431 3.007 0.307 12 0 "[ . 1 . 2]" 1
585 1 83 GLU H 1 83 GLU QG 2.000 . 2.700 2.153 1.883 2.426 . 0 0 "[ . 1 . 2]" 1
586 1 82 VAL H 1 83 GLU H 2.000 . 2.700 2.677 2.513 2.987 0.287 12 0 "[ . 1 . 2]" 1
587 1 82 VAL QG 1 83 GLU H 2.000 . 2.700 3.121 2.864 3.310 0.610 20 6 "[ * - * *1 . * +]" 1
588 1 81 SER HA 1 83 GLU H 2.000 . 4.000 5.178 4.945 5.540 1.540 12 20 [***********+******-*] 1
589 1 83 GLU HA 1 86 VAL HB 2.000 . 3.300 2.918 2.754 3.147 . 0 0 "[ . 1 . 2]" 1
590 1 83 GLU HA 1 86 VAL QG 2.000 . 4.000 3.652 3.539 3.823 . 0 0 "[ . 1 . 2]" 1
591 1 84 GLU H 1 84 GLU QB 2.000 . 2.700 2.547 2.311 2.710 0.010 16 0 "[ . 1 . 2]" 1
592 1 83 GLU HA 1 84 GLU H 2.000 . 3.300 3.676 3.609 3.746 0.446 14 0 "[ . 1 . 2]" 1
593 1 83 GLU H 1 84 GLU H 2.000 . 2.700 3.376 3.171 3.661 0.961 14 18 "[************ +*- ***]" 1
594 1 84 GLU HA 1 87 ASP QB 2.000 . 4.000 2.679 2.479 2.804 . 0 0 "[ . 1 . 2]" 1
595 1 85 ALA H 1 85 ALA MB 2.000 . 2.700 2.444 2.370 2.525 . 0 0 "[ . 1 . 2]" 1
596 1 84 GLU H 1 85 ALA H 2.000 . 2.700 2.813 2.502 3.248 0.548 3 1 "[ + . 1 . 2]" 1
597 1 84 GLU HA 1 85 ALA H 2.000 . 4.000 3.439 3.380 3.478 . 0 0 "[ . 1 . 2]" 1
598 1 84 GLU HB2 1 85 ALA H 2.000 . 4.000 3.126 2.933 3.448 . 0 0 "[ . 1 . 2]" 1
599 1 84 GLU HB3 1 85 ALA H 2.000 . 4.000 3.925 3.753 4.055 0.055 10 0 "[ . 1 . 2]" 1
600 1 82 VAL HA 1 85 ALA H 2.000 . 4.500 3.225 3.118 3.396 . 0 0 "[ . 1 . 2]" 1
601 1 81 SER H 1 85 ALA H 2.000 . 4.000 3.940 3.683 4.209 0.209 15 0 "[ . 1 . 2]" 1
602 1 79 ALA MB 1 85 ALA H 2.000 . 2.700 3.198 2.968 3.312 0.612 20 11 "[ *- * **** ** * +]" 1
603 1 82 VAL QG 1 85 ALA MB 2.000 . 2.700 3.077 2.900 3.286 0.586 8 1 "[ . + 1 . 2]" 1
604 1 79 ALA MB 1 85 ALA MB 2.000 . 3.300 2.152 2.063 2.250 . 0 0 "[ . 1 . 2]" 1
605 1 62 ILE MD 1 85 ALA MB 2.000 . 3.300 3.327 3.209 3.440 0.140 9 0 "[ . 1 . 2]" 1
606 1 3 LEU QD 1 85 ALA MB 2.000 . 4.500 2.970 2.851 3.088 . 0 0 "[ . 1 . 2]" 1
607 1 62 ILE MG 1 85 ALA HA 2.000 . 2.700 2.598 2.399 2.703 0.003 13 0 "[ . 1 . 2]" 1
608 1 62 ILE MD 1 85 ALA HA 2.000 . 4.000 3.346 3.203 3.429 . 0 0 "[ . 1 . 2]" 1
609 1 79 ALA MB 1 85 ALA HA 2.000 . 3.300 2.289 2.167 2.454 . 0 0 "[ . 1 . 2]" 1
610 1 85 ALA HA 1 88 ILE HB 2.000 . 4.000 5.722 5.665 5.826 1.826 20 20 [*********-*********+] 1
611 1 85 ALA HA 1 88 ILE MD 2.000 . 3.300 4.474 4.417 4.559 1.259 20 20 [******************-+] 1
612 1 86 VAL H 1 86 VAL QG 2.000 . 2.700 2.841 2.693 2.912 0.212 5 0 "[ . 1 . 2]" 1
613 1 85 ALA HA 1 86 VAL H 2.000 . 4.000 3.553 3.533 3.581 . 0 0 "[ . 1 . 2]" 1
614 1 85 ALA MB 1 86 VAL H 2.000 . 2.700 2.829 2.569 2.952 0.252 5 0 "[ . 1 . 2]" 1
615 1 84 GLU HA 1 86 VAL H 2.000 . 4.500 4.398 4.302 4.614 0.114 1 0 "[ . 1 . 2]" 1
616 1 82 VAL QG 1 86 VAL HB 2.000 . 4.000 3.739 3.521 3.921 . 0 0 "[ . 1 . 2]" 1
617 1 86 VAL HA 1 89 ALA MB 2.000 . 4.000 2.730 2.605 2.804 . 0 0 "[ . 1 . 2]" 1
618 1 83 GLU HA 1 86 VAL H 2.000 . 4.000 3.504 3.345 3.755 . 0 0 "[ . 1 . 2]" 1
619 1 85 ALA H 1 86 VAL H 2.000 . 3.300 2.397 2.293 2.597 . 0 0 "[ . 1 . 2]" 1
620 1 87 ASP H 1 87 ASP QB 2.000 . 2.700 2.257 2.193 2.376 . 0 0 "[ . 1 . 2]" 1
621 1 86 VAL H 1 87 ASP H 2.000 . 2.700 2.708 2.623 2.953 0.253 1 0 "[ . 1 . 2]" 1
622 1 86 VAL HA 1 87 ASP H 2.000 . 4.000 3.661 3.647 3.709 . 0 0 "[ . 1 . 2]" 1
623 1 86 VAL HB 1 87 ASP H 2.000 . 2.700 2.968 2.856 3.059 0.359 8 0 "[ . 1 . 2]" 1
624 1 86 VAL QG 1 87 ASP H 2.000 . 2.700 3.031 2.899 3.091 0.391 2 0 "[ . 1 . 2]" 1
625 1 84 GLU HA 1 87 ASP H 2.000 . 4.000 3.718 3.569 3.834 . 0 0 "[ . 1 . 2]" 1
626 1 83 GLU HA 1 87 ASP H 2.000 . 4.000 3.737 3.629 3.829 . 0 0 "[ . 1 . 2]" 1
627 1 87 ASP HA 1 90 ALA MB 2.000 . 4.000 2.876 2.745 3.022 . 0 0 "[ . 1 . 2]" 1
628 1 88 ILE H 1 88 ILE QG 2.000 . 2.700 3.152 3.107 3.199 0.499 17 0 "[ . 1 . 2]" 1
629 1 87 ASP H 1 88 ILE H 2.000 . 2.700 3.126 3.080 3.180 0.480 11 0 "[ . 1 . 2]" 1
630 1 87 ASP QB 1 88 ILE H 2.000 . 3.300 2.986 2.928 3.073 . 0 0 "[ . 1 . 2]" 1
631 1 88 ILE H 1 89 ALA MB 2.000 . 3.300 4.461 4.381 4.581 1.281 16 20 [**-************+****] 1
632 1 85 ALA HA 1 88 ILE H 2.000 . 4.500 3.638 3.578 3.713 . 0 0 "[ . 1 . 2]" 1
633 1 77 HIS HB3 1 88 ILE MG 2.000 . 4.500 4.030 3.957 4.142 . 0 0 "[ . 1 . 2]" 1
634 1 62 ILE MG 1 88 ILE MG 2.000 . 3.300 4.503 4.356 4.623 1.323 18 20 [-****************+**] 1
635 1 62 ILE MD 1 88 ILE MG 2.000 . 3.300 4.735 4.598 4.802 1.502 2 20 [-+******************] 1
636 1 62 ILE MG 1 88 ILE MD 2.000 . 4.000 3.244 3.172 3.327 . 0 0 "[ . 1 . 2]" 1
637 1 62 ILE MD 1 88 ILE MD 2.000 . 4.000 3.123 3.027 3.328 . 0 0 "[ . 1 . 2]" 1
638 1 89 ALA H 1 89 ALA MB 2.000 . 2.700 2.299 2.259 2.328 . 0 0 "[ . 1 . 2]" 1
639 1 88 ILE H 1 89 ALA H 2.000 . 2.700 2.733 2.635 2.826 0.126 16 0 "[ . 1 . 2]" 1
640 1 88 ILE HA 1 89 ALA H 2.000 . 4.000 3.525 3.504 3.551 . 0 0 "[ . 1 . 2]" 1
641 1 88 ILE QG 1 89 ALA H 2.000 . 3.300 2.828 2.721 2.902 . 0 0 "[ . 1 . 2]" 1
642 1 88 ILE MG 1 89 ALA H 2.000 . 3.300 4.305 4.250 4.333 1.033 12 20 [-**********+********] 1
643 1 87 ASP H 1 89 ALA H 2.000 . 4.000 4.612 4.554 4.680 0.680 6 20 [*****+********-*****] 1
644 1 87 ASP QB 1 89 ALA H 2.000 . 4.500 5.046 4.980 5.123 0.623 6 18 "[*****+****- **.*****]" 1
645 1 86 VAL HA 1 89 ALA H 2.000 . 4.500 3.594 3.514 3.669 . 0 0 "[ . 1 . 2]" 1
646 1 62 ILE MD 1 89 ALA H 2.000 . 2.700 3.135 2.988 3.200 0.500 7 1 "[ . + 1 . 2]" 1
647 1 41 PRO HG2 1 89 ALA HA 2.000 . 3.300 3.126 3.051 3.195 . 0 0 "[ . 1 . 2]" 1
648 1 41 PRO HB2 1 89 ALA MB 2.000 . 4.000 2.539 2.463 2.623 . 0 0 "[ . 1 . 2]" 1
649 1 41 PRO HG2 1 89 ALA MB 2.000 . 4.000 2.616 2.514 2.824 . 0 0 "[ . 1 . 2]" 1
650 1 89 ALA MB 1 92 LEU QD 2.000 . 4.000 3.378 3.337 3.467 . 0 0 "[ . 1 . 2]" 1
651 1 89 ALA MB 1 97 ALA MB 2.000 . 4.000 2.397 2.276 2.497 . 0 0 "[ . 1 . 2]" 1
652 1 89 ALA HA 1 92 LEU QB 2.000 . 4.000 4.750 4.693 4.824 0.824 13 20 [****-*******+*******] 1
653 1 89 ALA HA 1 92 LEU QD 2.000 . 3.300 2.446 2.402 2.507 . 0 0 "[ . 1 . 2]" 1
654 1 90 ALA H 1 90 ALA MB 2.000 . 2.700 2.206 2.183 2.240 . 0 0 "[ . 1 . 2]" 1
655 1 89 ALA H 1 90 ALA H 2.000 . 2.700 2.829 2.778 2.867 0.167 19 0 "[ . 1 . 2]" 1
656 1 89 ALA MB 1 90 ALA H 2.000 . 2.700 2.557 2.500 2.615 . 0 0 "[ . 1 . 2]" 1
657 1 86 VAL HA 1 90 ALA H 2.000 . 4.500 3.880 3.710 3.981 . 0 0 "[ . 1 . 2]" 1
658 1 86 VAL QG 1 90 ALA MB 2.000 . 4.000 3.331 3.242 3.393 . 0 0 "[ . 1 . 2]" 1
659 1 88 ILE H 1 90 ALA H 2.000 . 4.500 4.477 4.363 4.570 0.070 16 0 "[ . 1 . 2]" 1
660 1 90 ALA H 1 91 SER H 2.000 . 2.700 2.790 2.704 2.864 0.164 12 0 "[ . 1 . 2]" 1
661 1 90 ALA HA 1 91 SER H 2.000 . 3.300 3.488 3.411 3.543 0.243 11 0 "[ . 1 . 2]" 1
662 1 90 ALA MB 1 91 SER H 2.000 . 2.700 2.972 2.834 3.098 0.398 16 0 "[ . 1 . 2]" 1
663 1 92 LEU H 1 92 LEU QD 2.000 . 2.700 3.076 3.014 3.156 0.456 20 0 "[ . 1 . 2]" 1
664 1 91 SER H 1 92 LEU H 2.000 . 2.700 2.712 2.502 2.867 0.167 12 0 "[ . 1 . 2]" 1
665 1 91 SER HA 1 92 LEU H 2.000 . 3.300 3.485 3.399 3.531 0.231 7 0 "[ . 1 . 2]" 1
666 1 91 SER QB 1 92 LEU H 2.000 . 4.000 3.205 2.948 3.843 . 0 0 "[ . 1 . 2]" 1
667 1 90 ALA H 1 92 LEU H 2.000 . 4.000 4.445 4.305 4.530 0.530 18 4 "[ . - * +*2]" 1
668 1 89 ALA HA 1 92 LEU H 2.000 . 3.300 3.875 3.739 4.013 0.713 15 17 "[ -*.*********+*****]" 1
669 1 88 ILE QG 1 92 LEU QD 2.000 . 4.000 3.358 3.175 3.501 . 0 0 "[ . 1 . 2]" 1
670 1 41 PRO HB3 1 92 LEU QD 2.000 . 3.300 2.834 2.470 2.922 . 0 0 "[ . 1 . 2]" 1
671 1 41 PRO HG3 1 92 LEU QD 2.000 . 4.000 2.185 2.130 2.258 . 0 0 "[ . 1 . 2]" 1
672 1 88 ILE MD 1 92 LEU QD 2.000 . 4.500 2.869 2.747 3.006 . 0 0 "[ . 1 . 2]" 1
673 1 93 ASP H 1 93 ASP HA 2.000 . 2.700 2.788 2.654 3.041 0.341 3 0 "[ . 1 . 2]" 1
674 1 92 LEU H 1 93 ASP H 2.000 . 2.700 2.908 2.649 3.605 0.905 2 3 "[ +* . - 1 . 2]" 1
675 1 92 LEU HG 1 93 ASP H 2.000 . 2.700 3.134 2.964 3.282 0.582 2 6 "[ +* . * 1- * *2]" 1
676 1 92 LEU QD 1 93 ASP H 2.000 . 3.300 1.853 1.555 2.359 . 0 0 "[ . 1 . 2]" 1
677 1 94 ALA H 1 94 ALA MB 2.000 . 2.700 2.839 2.411 2.911 0.211 17 0 "[ . 1 . 2]" 1
678 1 93 ASP HA 1 94 ALA H 2.000 . 2.700 2.369 2.261 2.838 0.138 3 0 "[ . 1 . 2]" 1
679 1 93 ASP H 1 94 ALA H 2.000 . 3.300 3.168 2.935 3.431 0.131 13 0 "[ . 1 . 2]" 1
680 1 92 LEU QD 1 94 ALA H 2.000 . 3.300 4.188 3.432 4.714 1.414 13 18 "[* *******-*+*******]" 1
681 1 92 LEU QB 1 94 ALA MB 2.000 . 4.000 5.293 5.046 5.487 1.487 16 20 [***************+*-**] 1
682 1 92 LEU QD 1 94 ALA MB 2.000 . 4.000 2.951 2.693 3.165 . 0 0 "[ . 1 . 2]" 1
683 1 41 PRO HG2 1 94 ALA MB 2.000 . 3.300 2.254 2.167 2.328 . 0 0 "[ . 1 . 2]" 1
684 1 41 PRO QD 1 94 ALA MB 2.000 . 3.300 2.122 2.034 2.186 . 0 0 "[ . 1 . 2]" 1
685 1 40 ASP QB 1 94 ALA MB 2.000 . 4.500 4.359 4.166 4.575 0.075 15 0 "[ . 1 . 2]" 1
686 1 94 ALA MB 1 97 ALA MB 2.000 . 3.300 3.533 3.415 3.697 0.397 10 0 "[ . 1 . 2]" 1
687 1 95 GLU H 1 95 GLU HA 2.000 . 2.700 3.043 3.008 3.068 0.368 3 0 "[ . 1 . 2]" 1
688 1 95 GLU H 1 95 GLU HB2 2.000 . 3.300 3.210 3.107 3.305 0.005 18 0 "[ . 1 . 2]" 1
689 1 95 GLU H 1 95 GLU QG 2.000 . 3.300 2.683 2.410 2.926 . 0 0 "[ . 1 . 2]" 1
690 1 94 ALA H 1 95 GLU H 2.000 . 4.000 4.469 4.401 4.625 0.625 3 6 "[ *+ . - ** . *2]" 1
691 1 94 ALA HA 1 95 GLU H 2.000 . 4.500 2.214 2.126 2.351 . 0 0 "[ . 1 . 2]" 1
692 1 94 ALA MB 1 95 GLU H 2.000 . 2.700 2.717 2.415 2.951 0.251 5 0 "[ . 1 . 2]" 1
693 1 96 THR H 1 96 THR MG 2.000 . 3.300 3.044 2.764 3.358 0.058 6 0 "[ . 1 . 2]" 1
694 1 95 GLU H 1 96 THR H 2.000 . 2.700 2.670 2.375 2.872 0.172 12 0 "[ . 1 . 2]" 1
695 1 95 GLU HB2 1 96 THR H 2.000 . 2.700 2.438 2.182 2.916 0.216 2 0 "[ . 1 . 2]" 1
696 1 95 GLU QG 1 96 THR H 2.000 . 3.300 3.728 3.583 4.059 0.759 2 4 "[ + ** - 1 . 2]" 1
697 1 94 ALA MB 1 96 THR H 2.000 . 2.700 3.814 3.057 4.297 1.597 18 19 "[* ***-***********+**]" 1
698 1 41 PRO QD 1 96 THR H 2.000 . 4.500 4.980 4.497 5.240 0.740 12 12 "[ . * **+*-******]" 1
699 1 2 GLU QG 1 96 THR MG 2.000 . 4.000 5.308 5.124 5.603 1.603 8 20 [*****-*+************] 1
700 1 97 ALA H 1 97 ALA MB 2.000 . 3.300 2.839 2.684 3.000 . 0 0 "[ . 1 . 2]" 1
701 1 96 THR HA 1 97 ALA H 2.000 . 2.700 2.331 2.210 2.463 . 0 0 "[ . 1 . 2]" 1
702 1 96 THR MG 1 97 ALA H 2.000 . 3.300 3.316 3.134 3.526 0.226 12 0 "[ . 1 . 2]" 1
703 1 3 LEU HA 1 97 ALA H 2.000 . 3.300 2.493 2.389 2.588 . 0 0 "[ . 1 . 2]" 1
704 1 4 VAL H 1 97 ALA H 2.000 . 3.300 3.854 3.738 3.991 0.691 12 15 "[* ** *****+*-** * *]" 1
705 1 62 ILE MD 1 97 ALA MB 2.000 . 4.000 3.535 3.405 3.656 . 0 0 "[ . 1 . 2]" 1
706 1 43 VAL QG 1 97 ALA MB 2.000 . 3.300 2.893 2.782 3.002 . 0 0 "[ . 1 . 2]" 1
707 1 41 PRO HB2 1 97 ALA MB 2.000 . 4.000 2.311 2.199 2.572 . 0 0 "[ . 1 . 2]" 1
708 1 3 LEU HG 1 97 ALA MB 2.000 . 3.300 3.509 3.352 3.588 0.288 19 0 "[ . 1 . 2]" 1
709 1 40 ASP QB 1 97 ALA HA 2.000 . 4.000 2.354 2.236 2.541 . 0 0 "[ . 1 . 2]" 1
710 1 41 PRO HB2 1 97 ALA HA 2.000 . 4.000 3.691 3.528 3.867 . 0 0 "[ . 1 . 2]" 1
711 1 96 THR HB 1 97 ALA H 2.000 . 4.000 2.387 2.127 2.648 . 0 0 "[ . 1 . 2]" 1
712 1 98 TYR H 1 98 TYR HB3 2.000 . 4.000 3.956 3.891 4.006 0.006 4 0 "[ . 1 . 2]" 1
713 1 98 TYR H 1 98 TYR HB2 2.000 . 2.700 2.845 2.749 2.928 0.228 4 0 "[ . 1 . 2]" 1
714 1 97 ALA HA 1 98 TYR H 2.000 . 2.700 2.480 2.430 2.529 . 0 0 "[ . 1 . 2]" 1
715 1 97 ALA MB 1 98 TYR H 2.000 . 2.700 2.335 2.279 2.382 . 0 0 "[ . 1 . 2]" 1
716 1 42 VAL QG 1 98 TYR H 2.000 . 3.300 3.264 3.108 3.416 0.116 9 0 "[ . 1 . 2]" 1
717 1 43 VAL H 1 98 TYR H 2.000 . 3.300 3.912 3.792 4.017 0.717 20 19 "[*** ********-******+]" 1
718 1 4 VAL QG 1 98 TYR HA 2.000 . 4.000 3.920 3.816 4.019 0.019 3 0 "[ . 1 . 2]" 1
719 1 5 SER HA 1 98 TYR HA 2.000 . 4.000 4.152 4.077 4.247 0.247 1 0 "[ . 1 . 2]" 1
720 1 42 VAL HA 1 98 TYR H 2.000 . 2.700 2.784 2.681 2.919 0.219 9 0 "[ . 1 . 2]" 1
721 1 40 ASP QB 1 98 TYR QD 2.000 . 3.300 2.015 1.941 2.079 . 0 0 "[ . 1 . 2]" 1
722 1 40 ASP QB 1 98 TYR HE2 2.000 . 3.300 2.475 2.190 3.014 . 0 0 "[ . 1 . 2]" 1
723 1 37 VAL HB 1 98 TYR HB2 2.000 . 3.300 2.630 2.513 2.744 . 0 0 "[ . 1 . 2]" 1
724 1 99 VAL H 1 99 VAL HB 2.000 . 3.300 3.995 3.949 4.023 0.723 11 20 [********-*+*********] 1
725 1 99 VAL H 1 99 VAL QG 2.000 . 3.300 2.691 2.635 2.749 . 0 0 "[ . 1 . 2]" 1
726 1 6 VAL H 1 99 VAL H 2.000 . 2.700 3.096 2.886 3.312 0.612 5 5 "[ *+-* *1 . 2]" 1
727 1 6 VAL QG 1 99 VAL H 2.000 . 3.300 2.650 2.536 2.736 . 0 0 "[ . 1 . 2]" 1
728 1 5 SER HA 1 99 VAL H 2.000 . 2.700 2.467 2.373 2.622 . 0 0 "[ . 1 . 2]" 1
729 1 99 VAL QG 1 109 PHE HB2 2.000 . 4.000 3.300 3.148 3.474 . 0 0 "[ . 1 . 2]" 1
730 1 43 VAL HB 1 99 VAL QG 2.000 . 4.000 4.304 4.229 4.372 0.372 5 0 "[ . 1 . 2]" 1
731 1 99 VAL QG 1 109 PHE HB3 2.000 . 4.000 3.379 3.239 3.523 . 0 0 "[ . 1 . 2]" 1
732 1 99 VAL QG 1 113 LEU QD 2.000 . 3.300 2.108 1.972 2.234 . 0 0 "[ . 1 . 2]" 1
733 1 98 TYR QD 1 99 VAL H 2.000 . 3.300 3.475 3.283 3.587 0.287 4 0 "[ . 1 . 2]" 1
734 1 98 TYR HA 1 99 VAL H 2.000 . 2.700 2.487 2.399 2.535 . 0 0 "[ . 1 . 2]" 1
735 1 98 TYR HB3 1 99 VAL H 2.000 . 3.300 2.258 2.189 2.360 . 0 0 "[ . 1 . 2]" 1
736 1 99 VAL QG 1 109 PHE HD2 2.000 . 3.300 3.436 3.308 3.529 0.229 15 0 "[ . 1 . 2]" 1
737 1 100 ILE H 1 100 ILE QG 2.000 . 3.300 2.496 2.317 2.722 . 0 0 "[ . 1 . 2]" 1
738 1 99 VAL HA 1 100 ILE H 2.000 . 2.700 2.351 2.307 2.466 . 0 0 "[ . 1 . 2]" 1
739 1 99 VAL QG 1 100 ILE H 2.000 . 3.300 3.611 3.341 3.745 0.445 20 0 "[ . 1 . 2]" 1
740 1 43 VAL H 1 100 ILE H 2.000 . 4.000 4.189 4.115 4.278 0.278 10 0 "[ . 1 . 2]" 1
741 1 44 LEU QB 1 100 ILE MG 2.000 . 4.500 4.173 3.950 4.276 . 0 0 "[ . 1 . 2]" 1
742 1 6 VAL QG 1 100 ILE MD 2.000 . 3.300 1.917 1.830 2.020 . 0 0 "[ . 1 . 2]" 1
743 1 6 VAL QG 1 100 ILE HA 2.000 . 4.000 2.984 2.689 3.121 . 0 0 "[ . 1 . 2]" 1
744 1 42 VAL QG 1 100 ILE H 2.000 . 4.000 1.908 1.799 2.074 . 0 0 "[ . 1 . 2]" 1
745 1 100 ILE H 1 100 ILE HB 2.000 . 4.000 3.046 2.870 3.191 . 0 0 "[ . 1 . 2]" 1
746 1 44 LEU HA 1 100 ILE H 2.000 . 3.300 4.424 3.957 4.717 1.417 10 20 [****-****+**********] 1
747 1 44 LEU QB 1 100 ILE H 2.000 . 4.500 2.789 2.445 3.036 . 0 0 "[ . 1 . 2]" 1
748 1 43 VAL QG 1 100 ILE H 2.000 . 4.000 4.700 4.539 4.839 0.839 10 20 [****-****+**********] 1
749 1 101 GLY H 1 101 GLY HA2 2.000 . 2.700 2.386 2.333 2.462 . 0 0 "[ . 1 . 2]" 1
750 1 100 ILE H 1 101 GLY H 2.000 . 2.700 3.091 2.979 3.346 0.646 5 1 "[ + 1 . 2]" 1
751 1 100 ILE HA 1 101 GLY H 2.000 . 4.500 3.402 3.296 3.486 . 0 0 "[ . 1 . 2]" 1
752 1 100 ILE HB 1 101 GLY H 2.000 . 4.500 2.634 2.119 2.929 . 0 0 "[ . 1 . 2]" 1
753 1 99 VAL HB 1 101 GLY H 2.000 . 4.500 4.635 4.227 5.396 0.896 5 2 "[- + 1 . 2]" 1
754 1 99 VAL QG 1 101 GLY H 2.000 . 3.300 2.995 2.634 3.485 0.185 5 0 "[ . 1 . 2]" 1
755 1 99 VAL HA 1 101 GLY H 2.000 . 4.000 4.226 3.805 5.099 1.099 5 3 "[* -+ 1 . 2]" 1
756 1 44 LEU HA 1 101 GLY H 2.000 . 2.700 3.000 2.587 3.550 0.850 5 2 "[- + 1 . 2]" 1
757 1 101 GLY H 1 105 ILE MG 2.000 . 4.000 3.823 3.554 4.155 0.155 5 0 "[ . 1 . 2]" 1
758 1 101 GLY HA2 1 105 ILE HB 2.000 . 2.700 2.179 2.077 2.246 . 0 0 "[ . 1 . 2]" 1
759 1 101 GLY HA3 1 106 TYR QD 2.000 . 4.000 2.210 2.059 2.509 . 0 0 "[ . 1 . 2]" 1
760 1 101 GLY HA3 1 102 GLY H 2.000 . 4.000 2.704 2.330 3.439 . 0 0 "[ . 1 . 2]" 1
761 1 101 GLY HA2 1 102 GLY H 2.000 . 4.000 3.312 2.953 3.751 . 0 0 "[ . 1 . 2]" 1
762 1 102 GLY H 1 105 ILE HB 2.000 . 4.000 3.709 3.245 4.282 0.282 12 0 "[ . 1 . 2]" 1
763 1 102 GLY H 1 105 ILE QG 2.000 . 3.300 4.514 4.176 4.848 1.548 7 20 [******+********-****] 1
764 1 48 THR MG 1 102 GLY H 2.000 . 4.000 4.602 4.351 4.825 0.825 8 17 "[****** +*** *****- *]" 1
765 1 45 GLY H 1 102 GLY H 2.000 . 3.300 6.799 6.497 7.420 4.120 7 20 [**-***+*************] 1
766 1 15 ILE MD 1 103 ALA MB 2.000 . 3.300 3.947 3.791 4.146 0.846 1 19 "[+** **-*************]" 1
767 1 103 ALA MB 1 129 THR MG 2.000 . 3.300 2.119 2.039 2.316 . 0 0 "[ . 1 . 2]" 1
768 1 15 ILE MD 1 103 ALA HA 2.000 . 3.300 3.678 3.511 3.879 0.579 16 3 "[- .* 1 .+ 2]" 1
769 1 103 ALA HA 1 106 TYR QB 2.000 . 4.000 5.978 5.791 6.302 2.302 16 20 [***************+*-**] 1
770 1 104 ALA H 1 104 ALA MB 2.000 . 2.700 2.572 2.491 2.653 . 0 0 "[ . 1 . 2]" 1
771 1 103 ALA HA 1 104 ALA H 2.000 . 3.300 3.547 3.502 3.577 0.277 18 0 "[ . 1 . 2]" 1
772 1 104 ALA MB 1 105 ILE QG 2.000 . 3.300 3.872 3.712 3.980 0.680 6 17 "[ ***.+****** ****-**]" 1
773 1 103 ALA H 1 104 ALA H 2.000 . 2.700 3.442 3.355 3.544 0.844 16 20 [**********-****+****] 1
774 1 105 ILE H 1 105 ILE HB 2.000 . 2.700 2.946 2.859 2.997 0.297 2 0 "[ . 1 . 2]" 1
775 1 105 ILE H 1 105 ILE QG 2.000 . 3.300 2.255 2.091 2.430 . 0 0 "[ . 1 . 2]" 1
776 1 105 ILE H 1 105 ILE MG 2.000 . 3.300 3.989 3.976 4.038 0.738 19 20 [********-*********+*] 1
777 1 104 ALA H 1 105 ILE H 2.000 . 2.700 2.135 2.014 2.345 . 0 0 "[ . 1 . 2]" 1
778 1 104 ALA MB 1 105 ILE H 2.000 . 2.700 3.098 2.946 3.289 0.589 19 2 "[ . 1 - . +2]" 1
779 1 104 ALA HA 1 105 ILE H 2.000 . 4.000 3.535 3.510 3.558 . 0 0 "[ . 1 . 2]" 1
780 1 102 GLY HA3 1 105 ILE H 2.000 . 4.500 2.168 2.048 2.370 . 0 0 "[ . 1 . 2]" 1
781 1 99 VAL QG 1 105 ILE MG 2.000 . 4.000 2.217 2.063 2.363 . 0 0 "[ . 1 . 2]" 1
782 1 64 MET QB 1 105 ILE MG 2.000 . 4.000 2.585 2.278 2.840 . 0 0 "[ . 1 . 2]" 1
783 1 105 ILE MG 1 108 LEU QB 2.000 . 4.000 5.338 5.254 5.413 1.413 5 20 [-***+***************] 1
784 1 105 ILE MG 1 108 LEU QD 2.000 . 4.000 3.359 3.275 3.467 . 0 0 "[ . 1 . 2]" 1
785 1 64 MET QB 1 105 ILE MD 2.000 . 4.000 2.137 1.938 2.273 . 0 0 "[ . 1 . 2]" 1
786 1 43 VAL QG 1 105 ILE MD 2.000 . 4.000 4.829 4.546 4.965 0.965 9 20 [-*******+***********] 1
787 1 105 ILE HA 1 108 LEU QB 2.000 . 3.300 4.117 3.935 4.221 0.921 2 20 [-+******************] 1
788 1 106 TYR H 1 106 TYR QB 2.000 . 2.700 2.224 2.109 2.321 . 0 0 "[ . 1 . 2]" 1
789 1 105 ILE HA 1 106 TYR H 2.000 . 4.000 3.623 3.556 3.698 . 0 0 "[ . 1 . 2]" 1
790 1 105 ILE H 1 106 TYR H 2.000 . 2.700 3.227 3.019 3.459 0.759 14 10 "[ * -** ** +** *]" 1
791 1 105 ILE MG 1 106 TYR H 2.000 . 3.300 3.370 3.126 3.575 0.275 3 0 "[ . 1 . 2]" 1
792 1 105 ILE HB 1 106 TYR H 2.000 . 2.700 2.244 2.101 2.396 . 0 0 "[ . 1 . 2]" 1
793 1 103 ALA HA 1 106 TYR H 2.000 . 4.000 6.228 5.921 6.448 2.448 14 20 [**-**********+******] 1
794 1 99 VAL QG 1 106 TYR HA 2.000 . 3.300 3.508 3.338 3.658 0.358 12 0 "[ . 1 . 2]" 1
795 1 106 TYR HA 1 109 PHE HB2 2.000 . 3.300 2.703 2.416 3.044 . 0 0 "[ . 1 . 2]" 1
796 1 99 VAL QG 1 106 TYR QD 2.000 . 4.000 3.168 3.062 3.383 . 0 0 "[ . 1 . 2]" 1
797 1 5 SER QB 1 106 TYR QD 2.000 . 3.300 3.344 3.230 3.452 0.152 6 0 "[ . 1 . 2]" 1
798 1 101 GLY HA2 1 106 TYR H 2.000 . 3.300 3.580 3.355 3.762 0.462 9 0 "[ . 1 . 2]" 1
799 1 101 GLY HA3 1 106 TYR H 2.000 . 4.000 3.222 2.902 3.501 . 0 0 "[ . 1 . 2]" 1
800 1 106 TYR QB 1 131 TYR QE 2.000 . 3.300 3.983 3.655 4.244 0.944 18 17 "[* **-*********** + *]" 1
801 1 106 TYR QB 1 132 PRO QD 2.000 . 2.700 2.238 2.101 2.329 . 0 0 "[ . 1 . 2]" 1
802 1 107 ALA H 1 107 ALA MB 2.000 . 2.700 2.206 2.146 2.271 . 0 0 "[ . 1 . 2]" 1
803 1 106 TYR H 1 107 ALA H 2.000 . 3.300 2.971 2.794 3.191 . 0 0 "[ . 1 . 2]" 1
804 1 106 TYR HA 1 107 ALA H 2.000 . 4.500 3.564 3.519 3.612 . 0 0 "[ . 1 . 2]" 1
805 1 106 TYR QB 1 107 ALA H 2.000 . 4.000 2.860 2.735 3.027 . 0 0 "[ . 1 . 2]" 1
806 1 107 ALA MB 1 132 PRO HG3 2.000 . 3.300 2.186 2.028 3.212 . 0 0 "[ . 1 . 2]" 1
807 1 107 ALA HA 1 110 GLN QB 2.000 . 4.000 4.008 3.722 4.248 0.248 13 0 "[ . 1 . 2]" 1
808 1 108 LEU H 1 108 LEU QB 2.000 . 2.700 2.559 2.409 2.801 0.101 12 0 "[ . 1 . 2]" 1
809 1 108 LEU H 1 108 LEU HG 2.000 . 3.300 3.056 2.944 3.184 . 0 0 "[ . 1 . 2]" 1
810 1 108 LEU H 1 108 LEU QD 2.000 . 2.700 3.349 3.289 3.403 0.703 6 20 [*****+*******-******] 1
811 1 107 ALA H 1 108 LEU H 2.000 . 2.700 2.814 2.654 3.004 0.304 6 0 "[ . 1 . 2]" 1
812 1 107 ALA HA 1 108 LEU H 2.000 . 4.500 3.580 3.475 3.637 . 0 0 "[ . 1 . 2]" 1
813 1 107 ALA MB 1 108 LEU H 2.000 . 2.700 2.667 2.437 3.042 0.342 12 0 "[ . 1 . 2]" 1
814 1 105 ILE H 1 108 LEU H 2.000 . 4.000 4.730 4.591 4.877 0.877 7 20 [******+***********-*] 1
815 1 104 ALA HA 1 108 LEU H 2.000 . 4.500 4.161 3.923 4.563 0.063 12 0 "[ . 1 . 2]" 1
816 1 64 MET QG 1 108 LEU QD 2.000 . 4.500 3.523 3.357 3.613 . 0 0 "[ . 1 . 2]" 1
817 1 105 ILE HA 1 108 LEU H 2.000 . 4.000 3.628 3.428 3.867 . 0 0 "[ . 1 . 2]" 1
818 1 109 PHE H 1 109 PHE HB2 2.000 . 2.700 2.285 2.234 2.332 . 0 0 "[ . 1 . 2]" 1
819 1 109 PHE H 1 109 PHE HB3 2.000 . 4.000 3.532 3.454 3.583 . 0 0 "[ . 1 . 2]" 1
820 1 108 LEU H 1 109 PHE H 2.000 . 2.700 2.562 2.254 2.766 0.066 7 0 "[ . 1 . 2]" 1
821 1 108 LEU HA 1 109 PHE H 2.000 . 3.300 3.569 3.545 3.589 0.289 2 0 "[ . 1 . 2]" 1
822 1 108 LEU QB 1 109 PHE H 2.000 . 2.700 3.631 3.598 3.686 0.986 3 20 [-*+*****************] 1
823 1 108 LEU HG 1 109 PHE H 2.000 . 3.300 2.336 2.238 2.438 . 0 0 "[ . 1 . 2]" 1
824 1 108 LEU QD 1 109 PHE H 2.000 . 2.700 3.260 3.184 3.341 0.641 3 18 "[* +***-**1**********]" 1
825 1 82 VAL QG 1 109 PHE HA 2.000 . 4.000 2.828 2.620 2.955 . 0 0 "[ . 1 . 2]" 1
826 1 109 PHE HA 1 112 HIS HB2 2.000 . 3.300 2.954 2.691 3.238 . 0 0 "[ . 1 . 2]" 1
827 1 109 PHE HA 1 112 HIS HD2 2.000 . 3.300 2.490 2.264 2.765 . 0 0 "[ . 1 . 2]" 1
828 1 64 MET QG 1 109 PHE HE2 2.000 . 3.300 2.235 2.060 2.413 . 0 0 "[ . 1 . 2]" 1
829 1 110 GLN H 1 110 GLN QG 2.000 . 2.700 2.371 2.062 2.827 0.127 17 0 "[ . 1 . 2]" 1
830 1 109 PHE H 1 110 GLN H 2.000 . 2.700 2.941 2.810 3.082 0.382 7 0 "[ . 1 . 2]" 1
831 1 109 PHE HA 1 110 GLN H 2.000 . 3.300 3.505 3.456 3.543 0.243 9 0 "[ . 1 . 2]" 1
832 1 109 PHE HB2 1 110 GLN H 2.000 . 3.300 3.469 3.317 3.617 0.317 12 0 "[ . 1 . 2]" 1
833 1 109 PHE HB3 1 110 GLN H 2.000 . 3.300 3.519 3.330 3.801 0.501 3 1 "[ + . 1 . 2]" 1
834 1 107 ALA HA 1 110 GLN H 2.000 . 4.000 4.043 3.846 4.234 0.234 16 0 "[ . 1 . 2]" 1
835 1 110 GLN H 1 111 PRO HD2 2.000 . 3.300 3.615 3.017 3.939 0.639 20 5 "[ . 1* .*- *+]" 1
836 1 110 GLN HA 1 113 LEU HB2 2.000 . 4.000 4.371 3.931 4.685 0.685 20 5 "[ .** 1* .- +]" 1
837 1 110 GLN HA 1 113 LEU QD 2.000 . 3.300 2.331 2.157 2.558 . 0 0 "[ . 1 . 2]" 1
838 1 112 HIS H 1 112 HIS HB3 2.000 . 4.000 3.833 3.756 3.909 . 0 0 "[ . 1 . 2]" 1
839 1 112 HIS H 1 112 HIS HB2 2.000 . 2.700 2.751 2.625 2.908 0.208 12 0 "[ . 1 . 2]" 1
840 1 111 PRO HA 1 112 HIS H 2.000 . 4.000 3.400 3.323 3.456 . 0 0 "[ . 1 . 2]" 1
841 1 111 PRO HB2 1 112 HIS H 2.000 . 3.300 3.718 3.502 4.032 0.732 18 4 "[ . * * - + 2]" 1
842 1 111 PRO HD2 1 112 HIS H 2.000 . 3.300 2.694 2.427 3.197 . 0 0 "[ . 1 . 2]" 1
843 1 110 GLN HA 1 112 HIS H 2.000 . 4.500 4.039 3.859 4.192 . 0 0 "[ . 1 . 2]" 1
844 1 109 PHE HA 1 112 HIS H 2.000 . 4.000 3.679 3.361 3.894 . 0 0 "[ . 1 . 2]" 1
845 1 109 PHE HD1 1 112 HIS HB2 2.000 . 3.300 2.407 2.293 2.628 . 0 0 "[ . 1 . 2]" 1
846 1 82 VAL QG 1 112 HIS HD2 2.000 . 3.300 2.478 2.273 2.662 . 0 0 "[ . 1 . 2]" 1
847 1 113 LEU H 1 113 LEU HB2 2.000 . 2.700 2.573 2.425 2.673 . 0 0 "[ . 1 . 2]" 1
848 1 113 LEU H 1 113 LEU QD 2.000 . 3.300 2.432 2.282 2.590 . 0 0 "[ . 1 . 2]" 1
849 1 112 HIS H 1 113 LEU H 2.000 . 2.700 2.413 2.292 2.552 . 0 0 "[ . 1 . 2]" 1
850 1 112 HIS HB3 1 113 LEU H 2.000 . 4.000 4.311 4.138 4.485 0.485 12 0 "[ . 1 . 2]" 1
851 1 112 HIS HB2 1 113 LEU H 2.000 . 4.000 3.527 3.335 3.774 . 0 0 "[ . 1 . 2]" 1
852 1 113 LEU QD 1 116 MET ME 2.000 . 3.300 3.315 2.917 3.672 0.372 3 0 "[ . 1 . 2]" 1
853 1 3 LEU QB 1 113 LEU QD 2.000 . 4.000 3.298 3.120 3.495 . 0 0 "[ . 1 . 2]" 1
854 1 99 VAL HB 1 113 LEU QD 2.000 . 3.300 4.288 4.095 4.452 1.152 7 20 [******+***********-*] 1
855 1 109 PHE HB3 1 113 LEU QD 2.000 . 3.300 2.052 1.951 2.209 . 0 0 "[ . 1 . 2]" 1
856 1 109 PHE HB2 1 113 LEU QD 2.000 . 4.000 3.103 2.892 3.393 . 0 0 "[ . 1 . 2]" 1
857 1 4 VAL HA 1 113 LEU HA 2.000 . 4.000 4.353 4.198 4.489 0.489 8 0 "[ . 1 . 2]" 1
858 1 5 SER QB 1 113 LEU QD 2.000 . 3.300 2.168 2.056 2.291 . 0 0 "[ . 1 . 2]" 1
859 1 114 ASP H 1 114 ASP QB 2.000 . 4.000 2.202 2.106 2.337 . 0 0 "[ . 1 . 2]" 1
860 1 113 LEU HA 1 114 ASP H 2.000 . 2.700 2.211 2.091 2.353 . 0 0 "[ . 1 . 2]" 1
861 1 113 LEU HB3 1 114 ASP H 2.000 . 3.300 2.834 2.574 3.140 . 0 0 "[ . 1 . 2]" 1
862 1 113 LEU QD 1 114 ASP H 2.000 . 3.300 3.448 3.251 3.692 0.392 18 0 "[ . 1 . 2]" 1
863 1 4 VAL HA 1 114 ASP H 2.000 . 3.300 3.797 3.628 4.040 0.740 11 9 "[** . * -*+ *.* * 2]" 1
864 1 115 ARG H 1 115 ARG QB 2.000 . 3.300 2.617 2.454 2.734 . 0 0 "[ . 1 . 2]" 1
865 1 114 ASP H 1 115 ARG H 2.000 . 2.700 2.804 2.634 2.960 0.260 10 0 "[ . 1 . 2]" 1
866 1 114 ASP HA 1 115 ARG H 2.000 . 4.500 3.624 3.586 3.676 . 0 0 "[ . 1 . 2]" 1
867 1 114 ASP QB 1 115 ARG H 2.000 . 4.500 2.515 2.276 2.724 . 0 0 "[ . 1 . 2]" 1
868 1 113 LEU HA 1 115 ARG H 2.000 . 4.500 4.220 4.066 4.450 . 0 0 "[ . 1 . 2]" 1
869 1 113 LEU QD 1 115 ARG H 2.000 . 3.300 4.073 3.952 4.245 0.945 19 20 [************-*****+*] 1
870 1 5 SER H 1 115 ARG H 2.000 . 4.000 4.156 3.975 4.432 0.432 7 0 "[ . 1 . 2]" 1
871 1 4 VAL QG 1 115 ARG H 2.000 . 3.300 1.954 1.813 2.110 . 0 0 "[ . 1 . 2]" 1
872 1 115 ARG QG 1 156 VAL HB 2.000 . 4.000 2.347 2.175 2.524 . 0 0 "[ . 1 . 2]" 1
873 1 116 MET H 1 116 MET QB 2.000 . 2.700 2.499 2.330 3.038 0.338 3 0 "[ . 1 . 2]" 1
874 1 115 ARG HA 1 116 MET H 2.000 . 3.300 2.245 2.164 2.335 . 0 0 "[ . 1 . 2]" 1
875 1 115 ARG QB 1 116 MET H 2.000 . 3.300 2.771 2.530 2.927 . 0 0 "[ . 1 . 2]" 1
876 1 115 ARG HG2 1 116 MET H 2.000 . 4.000 3.638 3.072 3.991 . 0 0 "[ . 1 . 2]" 1
877 1 4 VAL QG 1 116 MET H 2.000 . 3.300 3.863 3.685 4.044 0.744 10 14 "[** ** **+****. * -*]" 1
878 1 116 MET ME 1 118 LEU QD 2.000 . 4.000 4.125 3.874 4.549 0.549 15 1 "[ . 1 + 2]" 1
879 1 116 MET ME 1 134 TRP QB 2.000 . 4.500 3.623 3.263 3.984 . 0 0 "[ . 1 . 2]" 1
880 1 116 MET ME 1 139 TRP HZ2 2.000 . 4.000 3.691 3.217 4.355 0.355 5 0 "[ . 1 . 2]" 1
881 1 113 LEU HB3 1 116 MET QG 2.000 . 4.500 3.770 3.325 5.115 0.615 12 2 "[ . 1 + . - 2]" 1
882 1 117 VAL H 1 117 VAL HB 2.000 . 3.300 2.358 2.268 2.591 . 0 0 "[ . 1 . 2]" 1
883 1 117 VAL H 1 117 VAL QG 2.000 . 2.700 2.488 2.252 2.634 . 0 0 "[ . 1 . 2]" 1
884 1 116 MET HA 1 117 VAL H 2.000 . 3.300 2.229 2.109 2.362 . 0 0 "[ . 1 . 2]" 1
885 1 7 ALA H 1 117 VAL H 2.000 . 4.500 5.374 4.966 5.658 1.158 9 19 "[** *****+***-*******]" 1
886 1 5 SER H 1 117 VAL H 2.000 . 2.700 3.235 3.101 3.442 0.742 18 11 "[* ***** -1 **. + *]" 1
887 1 6 VAL HB 1 117 VAL H 2.000 . 4.500 5.273 4.659 5.702 1.202 10 17 "[** *-* **+******* **]" 1
888 1 6 VAL HA 1 117 VAL H 2.000 . 3.300 4.109 3.755 4.336 1.036 9 18 "[** *** *+*****-*****]" 1
889 1 4 VAL QG 1 117 VAL H 2.000 . 2.700 2.678 2.422 2.850 0.150 15 0 "[ . 1 . 2]" 1
890 1 117 VAL QG 1 152 LEU QD 2.000 . 3.300 2.203 2.012 2.305 . 0 0 "[ . 1 . 2]" 1
891 1 117 VAL QG 1 154 GLU QG 2.000 . 3.300 2.126 2.031 2.267 . 0 0 "[ . 1 . 2]" 1
892 1 4 VAL QG 1 117 VAL QG 2.000 . 3.300 1.959 1.891 2.045 . 0 0 "[ . 1 . 2]" 1
893 1 36 ARG QD 1 117 VAL QG 2.000 . 4.500 2.453 1.944 2.774 . 0 0 "[ . 1 . 2]" 1
894 1 115 ARG QD 1 117 VAL QG 2.000 . 4.000 3.682 3.392 3.963 . 0 0 "[ . 1 . 2]" 1
895 1 117 VAL QG 1 154 GLU QB 2.000 . 3.300 2.521 2.177 2.825 . 0 0 "[ . 1 . 2]" 1
896 1 117 VAL HA 1 154 GLU HA 2.000 . 2.700 2.121 2.048 2.203 . 0 0 "[ . 1 . 2]" 1
897 1 117 VAL HA 1 154 GLU QG 2.000 . 4.000 3.141 2.740 3.512 . 0 0 "[ . 1 . 2]" 1
898 1 118 LEU H 1 118 LEU QB 2.000 . 3.300 2.305 2.075 2.560 . 0 0 "[ . 1 . 2]" 1
899 1 117 VAL HA 1 118 LEU H 2.000 . 2.700 2.274 2.060 2.476 . 0 0 "[ . 1 . 2]" 1
900 1 117 VAL HB 1 118 LEU H 2.000 . 4.000 4.493 4.351 4.589 0.589 14 13 "[ **** - * **+.* ***]" 1
901 1 117 VAL QG 1 118 LEU H 2.000 . 4.000 3.422 2.888 3.795 . 0 0 "[ . 1 . 2]" 1
902 1 118 LEU H 1 154 GLU HA 2.000 . 4.000 3.506 3.260 3.949 . 0 0 "[ . 1 . 2]" 1
903 1 118 LEU H 1 153 GLN QB 2.000 . 2.700 3.326 2.773 3.777 1.077 7 11 "[ **** + 1 -* ** **2]" 1
904 1 118 LEU QD 1 153 GLN QB 2.000 . 4.000 2.141 1.808 2.667 . 0 0 "[ . 1 . 2]" 1
905 1 119 SER H 1 119 SER QB 2.000 . 4.000 2.684 2.335 3.372 . 0 0 "[ . 1 . 2]" 1
906 1 118 LEU HA 1 119 SER H 2.000 . 3.300 2.218 2.143 2.349 . 0 0 "[ . 1 . 2]" 1
907 1 118 LEU QB 1 119 SER H 2.000 . 3.300 3.598 3.076 3.766 0.466 18 0 "[ . 1 . 2]" 1
908 1 118 LEU QD 1 119 SER H 2.000 . 3.300 3.114 2.784 3.429 0.129 6 0 "[ . 1 . 2]" 1
909 1 9 LEU H 1 119 SER H 2.000 . 4.500 3.726 3.388 3.945 . 0 0 "[ . 1 . 2]" 1
910 1 8 ALA HA 1 119 SER H 2.000 . 4.500 2.689 2.501 2.902 . 0 0 "[ . 1 . 2]" 1
911 1 7 ALA H 1 119 SER H 2.000 . 4.000 4.206 3.766 4.565 0.565 17 3 "[ - . 1 . + *]" 1
912 1 119 SER HA 1 152 LEU HA 2.000 . 2.700 2.539 2.298 2.831 0.131 16 0 "[ . 1 . 2]" 1
913 1 119 SER HA 1 120 ARG H 2.000 . 4.500 2.171 2.107 2.242 . 0 0 "[ . 1 . 2]" 1
914 1 119 SER QB 1 120 ARG H 2.000 . 4.500 3.602 3.120 3.901 . 0 0 "[ . 1 . 2]" 1
915 1 120 ARG H 1 150 PHE QB 2.000 . 4.000 3.441 3.115 3.730 . 0 0 "[ . 1 . 2]" 1
916 1 9 LEU QD 1 120 ARG HA 2.000 . 4.000 2.826 2.461 3.962 . 0 0 "[ . 1 . 2]" 1
917 1 121 VAL H 1 121 VAL QG 2.000 . 4.000 2.433 2.123 2.558 . 0 0 "[ . 1 . 2]" 1
918 1 120 ARG HA 1 121 VAL H 2.000 . 4.500 2.215 2.152 2.347 . 0 0 "[ . 1 . 2]" 1
919 1 26 ILE QG 1 121 VAL QG 2.000 . 4.500 4.077 3.742 4.495 . 0 0 "[ . 1 . 2]" 1
920 1 26 ILE MD 1 121 VAL QG 2.000 . 3.300 2.691 2.236 3.222 . 0 0 "[ . 1 . 2]" 1
921 1 119 SER QB 1 121 VAL QG 2.000 . 4.500 3.057 2.609 3.727 . 0 0 "[ . 1 . 2]" 1
922 1 121 VAL QG 1 150 PHE QB 2.000 . 4.500 1.951 1.841 2.111 . 0 0 "[ . 1 . 2]" 1
923 1 122 PRO HD2 1 123 GLY H 2.000 . 4.500 4.344 3.221 5.172 0.672 2 6 "[*+ -. *1 . * *2]" 1
924 1 122 PRO QB 1 123 GLY H 2.000 . 3.300 3.302 2.249 4.012 0.712 10 10 "[ - . * +****** *]" 1
925 1 123 GLY QA 1 125 TYR QE 2.000 . 3.300 2.900 2.401 3.968 0.668 10 1 "[ . + . 2]" 1
926 1 124 GLU H 1 124 GLU QB 2.000 . 3.300 3.147 2.497 3.469 0.169 16 0 "[ . 1 . 2]" 1
927 1 124 GLU H 1 124 GLU QG 2.000 . 2.700 2.436 2.119 2.715 0.015 7 0 "[ . 1 . 2]" 1
928 1 123 GLY H 1 124 GLU H 2.000 . 3.300 2.716 2.218 4.120 0.820 16 2 "[ . 1 .+ - 2]" 1
929 1 123 GLY QA 1 124 GLU H 2.000 . 2.700 2.723 2.124 2.978 0.278 7 0 "[ . 1 . 2]" 1
930 1 10 ALA MB 1 124 GLU HA 2.000 . 4.000 3.486 2.423 5.151 1.151 10 5 "[ -** + . * 2]" 1
931 1 125 TYR H 1 125 TYR QB 2.000 . 2.700 2.910 2.648 3.174 0.474 10 0 "[ . 1 . 2]" 1
932 1 124 GLU HA 1 125 TYR H 2.000 . 2.700 2.221 2.082 2.488 . 0 0 "[ . 1 . 2]" 1
933 1 124 GLU QB 1 125 TYR H 2.000 . 4.000 3.636 3.045 3.943 . 0 0 "[ . 1 . 2]" 1
934 1 126 GLU H 1 126 GLU QB 2.000 . 2.700 2.933 2.536 3.363 0.663 18 2 "[ .- 1 . + 2]" 1
935 1 126 GLU H 1 126 GLU QG 2.000 . 2.700 2.314 1.953 3.145 0.445 10 0 "[ . 1 . 2]" 1
936 1 125 TYR QB 1 126 GLU H 2.000 . 2.700 3.227 2.414 3.839 1.139 16 14 "[ ***. **1**-**+* **]" 1
937 1 127 GLY H 1 127 GLY HA2 2.000 . 2.700 2.544 2.413 3.011 0.311 18 0 "[ . 1 . 2]" 1
938 1 126 GLU QB 1 127 GLY H 2.000 . 2.700 2.507 2.062 3.369 0.669 18 1 "[ . 1 . + 2]" 1
939 1 126 GLU QG 1 127 GLY H 2.000 . 3.300 3.906 2.527 4.211 0.911 2 15 "[*+ ** *-***** ** **]" 1
940 1 14 VAL QG 1 127 GLY H 2.000 . 2.700 3.059 1.985 3.565 0.865 17 11 "[- *. **1 ****+ **]" 1
941 1 14 VAL QG 1 127 GLY HA2 2.000 . 3.300 2.647 2.063 3.667 0.367 18 0 "[ . 1 . 2]" 1
942 1 128 ASP H 1 128 ASP QB 2.000 . 4.500 2.683 2.276 3.292 . 0 0 "[ . 1 . 2]" 1
943 1 127 GLY H 1 128 ASP H 2.000 . 4.500 3.972 2.163 4.612 0.112 9 0 "[ . 1 . 2]" 1
944 1 127 GLY HA2 1 128 ASP H 2.000 . 2.700 2.455 2.156 3.365 0.665 6 1 "[ .+ 1 . 2]" 1
945 1 17 ARG HA 1 128 ASP H 2.000 . 4.500 3.284 2.370 4.773 0.273 1 0 "[ . 1 . 2]" 1
946 1 129 THR H 1 129 THR HB 2.000 . 2.700 2.842 2.562 3.026 0.326 3 0 "[ . 1 . 2]" 1
947 1 129 THR H 1 129 THR MG 2.000 . 3.300 3.938 3.817 4.065 0.765 6 20 [*-***+**************] 1
948 1 128 ASP H 1 129 THR H 2.000 . 2.700 2.361 2.040 3.165 0.465 1 0 "[ . 1 . 2]" 1
949 1 128 ASP QB 1 129 THR H 2.000 . 4.500 2.877 2.167 3.618 . 0 0 "[ . 1 . 2]" 1
950 1 128 ASP HA 1 129 THR H 2.000 . 4.000 3.581 3.492 3.675 . 0 0 "[ . 1 . 2]" 1
951 1 14 VAL QG 1 129 THR H 2.000 . 3.300 3.422 2.712 4.016 0.716 19 2 "[ . 1 -. +2]" 1
952 1 103 ALA MB 1 129 THR HA 2.000 . 4.000 3.590 3.307 3.935 . 0 0 "[ . 1 . 2]" 1
953 1 129 THR H 1 130 TYR HD1 2.000 . 4.500 4.654 4.272 4.952 0.452 14 0 "[ . 1 . 2]" 1
954 1 17 ARG HA 1 129 THR H 2.000 . 3.300 3.427 3.156 3.960 0.660 6 1 "[ .+ 1 . 2]" 1
955 1 130 TYR H 1 130 TYR HB3 2.000 . 4.000 3.679 3.621 3.745 . 0 0 "[ . 1 . 2]" 1
956 1 130 TYR H 1 130 TYR HB2 2.000 . 2.700 2.448 2.386 2.556 . 0 0 "[ . 1 . 2]" 1
957 1 129 THR HA 1 130 TYR H 2.000 . 2.700 2.189 2.138 2.237 . 0 0 "[ . 1 . 2]" 1
958 1 129 THR HB 1 130 TYR H 2.000 . 3.300 4.149 3.924 4.347 1.047 13 20 [**-*********+*******] 1
959 1 129 THR MG 1 130 TYR H 2.000 . 3.300 3.000 2.745 3.220 . 0 0 "[ . 1 . 2]" 1
960 1 103 ALA MB 1 130 TYR H 2.000 . 4.000 4.061 3.789 4.463 0.463 6 0 "[ . 1 . 2]" 1
961 1 14 VAL HA 1 130 TYR HA 2.000 . 2.700 2.717 2.527 2.898 0.198 18 0 "[ . 1 . 2]" 1
962 1 12 ASN HB3 1 130 TYR HE2 2.000 . 3.300 2.413 2.207 2.759 . 0 0 "[ . 1 . 2]" 1
963 1 131 TYR H 1 131 TYR QB 2.000 . 3.300 2.190 2.159 2.227 . 0 0 "[ . 1 . 2]" 1
964 1 130 TYR HB3 1 131 TYR H 2.000 . 2.700 3.196 3.012 3.312 0.612 5 8 "[ +** 1-**** 2]" 1
965 1 130 TYR HB2 1 131 TYR H 2.000 . 4.000 4.257 4.142 4.341 0.341 5 0 "[ . 1 . 2]" 1
966 1 130 TYR HA 1 131 TYR H 2.000 . 2.700 2.096 2.060 2.144 . 0 0 "[ . 1 . 2]" 1
967 1 15 ILE MD 1 131 TYR HA 2.000 . 4.000 2.384 2.178 2.475 . 0 0 "[ . 1 . 2]" 1
968 1 14 VAL HA 1 131 TYR H 2.000 . 4.000 3.437 3.185 3.646 . 0 0 "[ . 1 . 2]" 1
969 1 13 ARG QB 1 131 TYR H 2.000 . 3.300 3.892 3.736 4.145 0.845 6 15 "[* *.+******* -** **]" 1
970 1 13 ARG QD 1 131 TYR QD 2.000 . 3.300 2.108 1.960 2.309 . 0 0 "[ . 1 . 2]" 1
971 1 131 TYR HA 1 132 PRO QD 2.000 . 2.700 2.094 2.066 2.228 . 0 0 "[ . 1 . 2]" 1
972 1 131 TYR QD 1 132 PRO QD 2.000 . 2.700 2.990 2.756 3.099 0.399 6 0 "[ . 1 . 2]" 1
973 1 131 TYR QD 1 134 TRP HZ3 2.000 . 2.700 3.076 2.671 3.454 0.754 6 3 "[ .+* 1 - . 2]" 1
974 1 131 TYR QD 1 134 TRP HE3 2.000 . 4.000 3.962 3.598 4.226 0.226 4 0 "[ . 1 . 2]" 1
975 1 131 TYR QD 1 134 TRP HH2 2.000 . 4.000 4.710 4.436 5.045 1.045 6 18 "[ ***-+***1**********]" 1
976 1 110 GLN QG 1 132 PRO HG2 2.000 . 4.000 3.252 2.680 4.582 0.582 19 2 "[ . 1 .- +2]" 1
977 1 106 TYR QB 1 132 PRO HG3 2.000 . 2.700 3.111 2.512 3.352 0.652 4 5 "[ +* 1- *.* 2]" 1
978 1 106 TYR QD 1 132 PRO QD 2.000 . 4.000 3.427 3.200 3.761 . 0 0 "[ . 1 . 2]" 1
979 1 107 ALA HA 1 132 PRO HG3 2.000 . 2.700 2.557 2.287 2.801 0.101 9 0 "[ . 1 . 2]" 1
980 1 107 ALA HA 1 132 PRO HB3 2.000 . 3.300 3.168 2.882 3.318 0.018 8 0 "[ . 1 . 2]" 1
981 1 133 GLU H 1 133 GLU HB3 2.000 . 2.700 3.010 2.714 3.253 0.553 8 2 "[ . + 1 .- 2]" 1
982 1 132 PRO HA 1 133 GLU H 2.000 . 2.700 2.475 2.338 2.667 . 0 0 "[ . 1 . 2]" 1
983 1 132 PRO HB3 1 133 GLU H 2.000 . 3.300 2.909 2.581 3.539 0.239 6 0 "[ . 1 . 2]" 1
984 1 132 PRO HB2 1 133 GLU H 2.000 . 2.700 2.790 2.547 3.083 0.383 10 0 "[ . 1 . 2]" 1
985 1 13 ARG QD 1 133 GLU HA 2.000 . 3.300 3.272 2.930 3.534 0.234 8 0 "[ . 1 . 2]" 1
986 1 134 TRP H 1 134 TRP QB 2.000 . 3.300 3.253 2.957 3.501 0.201 11 0 "[ . 1 . 2]" 1
987 1 133 GLU HA 1 134 TRP H 2.000 . 2.700 2.267 2.048 2.383 . 0 0 "[ . 1 . 2]" 1
988 1 133 GLU HB2 1 134 TRP H 2.000 . 3.300 2.544 2.284 3.168 . 0 0 "[ . 1 . 2]" 1
989 1 133 GLU QG 1 134 TRP H 2.000 . 3.300 4.003 3.764 4.537 1.237 20 18 "[********-1******* *+]" 1
990 1 135 ASP H 1 135 ASP QB 2.000 . 2.700 2.426 2.276 2.612 . 0 0 "[ . 1 . 2]" 1
991 1 134 TRP HA 1 135 ASP H 2.000 . 2.700 2.210 2.157 2.258 . 0 0 "[ . 1 . 2]" 1
992 1 134 TRP QB 1 135 ASP H 2.000 . 2.700 3.091 2.814 3.208 0.508 13 1 "[ . 1 + . 2]" 1
993 1 136 ALA H 1 136 ALA MB 2.000 . 2.700 2.585 2.444 2.738 0.038 7 0 "[ . 1 . 2]" 1
994 1 135 ASP QB 1 136 ALA H 2.000 . 4.500 2.520 2.007 2.727 . 0 0 "[ . 1 . 2]" 1
995 1 137 ALA H 1 137 ALA HA 2.000 . 2.700 3.075 3.061 3.084 0.384 10 0 "[ . 1 . 2]" 1
996 1 137 ALA H 1 137 ALA MB 2.000 . 2.700 2.560 2.489 2.624 . 0 0 "[ . 1 . 2]" 1
997 1 136 ALA H 1 137 ALA H 2.000 . 2.700 2.106 1.891 2.275 . 0 0 "[ . 1 . 2]" 1
998 1 138 GLU H 1 138 GLU HA 2.000 . 2.700 2.974 2.760 3.054 0.354 6 0 "[ . 1 . 2]" 1
999 1 138 GLU H 1 138 GLU QB 2.000 . 2.700 2.407 2.211 2.647 . 0 0 "[ . 1 . 2]" 1
1000 1 138 GLU H 1 138 GLU QG 2.000 . 3.300 2.899 2.369 3.694 0.394 8 0 "[ . 1 . 2]" 1
1001 1 137 ALA H 1 138 GLU H 2.000 . 2.700 2.306 2.152 2.628 . 0 0 "[ . 1 . 2]" 1
1002 1 137 ALA MB 1 138 GLU H 2.000 . 2.700 3.161 2.581 3.412 0.712 6 10 "[ *-*+***1 . * **]" 1
1003 1 136 ALA H 1 138 GLU H 2.000 . 3.300 3.492 3.073 3.894 0.594 2 1 "[ + . 1 . 2]" 1
1004 1 135 ASP QB 1 138 GLU H 2.000 . 4.500 2.852 2.398 3.536 . 0 0 "[ . 1 . 2]" 1
1005 1 138 GLU HA 1 157 ARG QG 2.000 . 4.500 4.707 4.196 5.163 0.663 6 4 "[ *.+ 1 -* 2]" 1
1006 1 139 TRP H 1 139 TRP QB 2.000 . 4.000 3.419 3.381 3.461 . 0 0 "[ . 1 . 2]" 1
1007 1 138 GLU H 1 139 TRP H 2.000 . 2.700 2.778 2.459 3.303 0.603 2 2 "[ + . 1 .- 2]" 1
1008 1 138 GLU HA 1 139 TRP H 2.000 . 3.300 3.613 3.542 3.643 0.343 19 0 "[ . 1 . 2]" 1
1009 1 138 GLU QB 1 139 TRP H 2.000 . 3.300 2.545 2.387 2.913 . 0 0 "[ . 1 . 2]" 1
1010 1 139 TRP HA 1 158 SER QB 2.000 . 4.000 3.948 3.569 4.293 0.293 10 0 "[ . 1 . 2]" 1
1011 1 134 TRP HA 1 139 TRP HE1 2.000 . 4.000 1.857 1.620 2.940 . 0 0 "[ . 1 . 2]" 1
1012 1 134 TRP QB 1 139 TRP HE1 2.000 . 3.300 3.051 2.831 3.731 0.431 7 0 "[ . 1 . 2]" 1
1013 1 135 ASP H 1 139 TRP HE1 2.000 . 4.000 1.775 1.595 1.985 . 0 0 "[ . 1 . 2]" 1
1014 1 135 ASP QB 1 139 TRP HD1 2.000 . 4.000 4.503 3.897 5.140 1.140 11 10 "[ ** .* * 1+ * * * -*]" 1
1015 1 139 TRP QB 1 155 TRP QB 2.000 . 3.300 2.376 2.220 2.503 . 0 0 "[ . 1 . 2]" 1
1016 1 139 TRP HA 1 157 ARG HA 2.000 . 2.700 2.320 2.153 2.439 . 0 0 "[ . 1 . 2]" 1
1017 1 139 TRP HA 1 157 ARG QG 2.000 . 4.000 3.836 3.645 4.067 0.067 16 0 "[ . 1 . 2]" 1
1018 1 140 GLU H 1 140 GLU QB 2.000 . 2.700 2.690 2.332 2.857 0.157 7 0 "[ . 1 . 2]" 1
1019 1 140 GLU H 1 140 GLU QG 2.000 . 2.700 2.907 2.527 3.576 0.876 10 2 "[ . + .- 2]" 1
1020 1 139 TRP HA 1 140 GLU H 2.000 . 3.300 2.126 2.085 2.167 . 0 0 "[ . 1 . 2]" 1
1021 1 139 TRP QB 1 140 GLU H 2.000 . 3.300 2.942 2.871 3.137 . 0 0 "[ . 1 . 2]" 1
1022 1 140 GLU H 1 156 VAL QG 2.000 . 3.300 3.404 3.243 3.555 0.255 12 0 "[ . 1 . 2]" 1
1023 1 140 GLU H 1 158 SER HA 2.000 . 4.500 4.140 3.904 4.496 . 0 0 "[ . 1 . 2]" 1
1024 1 140 GLU H 1 155 TRP HE3 2.000 . 4.000 4.005 3.768 4.343 0.343 5 0 "[ . 1 . 2]" 1
1025 1 140 GLU H 1 157 ARG HA 2.000 . 3.300 3.674 3.470 3.865 0.565 7 1 "[ . + 1 . 2]" 1
1026 1 140 GLU QB 1 156 VAL QG 2.000 . 4.000 3.825 3.127 4.012 0.012 18 0 "[ . 1 . 2]" 1
1027 1 140 GLU QG 1 156 VAL QG 2.000 . 3.300 2.133 2.016 2.362 . 0 0 "[ . 1 . 2]" 1
1028 1 140 GLU QG 1 142 ASP HA 2.000 . 3.300 4.273 4.069 4.523 1.223 17 20 [***************-+***] 1
1029 1 141 LEU H 1 141 LEU QD 2.000 . 3.300 3.822 3.630 3.888 0.588 11 16 "[ ****-* **+**** ***]" 1
1030 1 140 GLU HA 1 141 LEU H 2.000 . 2.700 2.810 2.639 2.913 0.213 7 0 "[ . 1 . 2]" 1
1031 1 140 GLU QB 1 141 LEU H 2.000 . 3.300 2.581 2.267 3.153 . 0 0 "[ . 1 . 2]" 1
1032 1 140 GLU QG 1 141 LEU H 2.000 . 3.300 2.250 2.033 2.416 . 0 0 "[ . 1 . 2]" 1
1033 1 141 LEU H 1 141 LEU QB 2.000 . 2.700 2.480 2.361 2.555 . 0 0 "[ . 1 . 2]" 1
1034 1 141 LEU HG 1 144 GLU HB2 2.000 . 3.300 3.488 3.215 3.769 0.469 16 0 "[ . 1 . 2]" 1
1035 1 141 LEU QD 1 144 GLU HB2 2.000 . 3.300 2.285 2.161 2.616 . 0 0 "[ . 1 . 2]" 1
1036 1 142 ASP H 1 142 ASP QB 2.000 . 2.700 2.313 2.262 2.355 . 0 0 "[ . 1 . 2]" 1
1037 1 142 ASP H 1 155 TRP HA 2.000 . 2.700 2.442 2.211 2.648 . 0 0 "[ . 1 . 2]" 1
1038 1 142 ASP H 1 156 VAL QG 2.000 . 3.300 3.542 3.356 3.651 0.351 18 0 "[ . 1 . 2]" 1
1039 1 141 LEU QD 1 142 ASP H 2.000 . 2.700 2.626 2.477 2.881 0.181 16 0 "[ . 1 . 2]" 1
1040 1 141 LEU HA 1 142 ASP H 2.000 . 2.700 2.199 2.173 2.283 . 0 0 "[ . 1 . 2]" 1
1041 1 142 ASP QB 1 156 VAL QG 2.000 . 3.300 2.474 2.357 2.568 . 0 0 "[ . 1 . 2]" 1
1042 1 142 ASP HA 1 156 VAL QG 2.000 . 4.000 3.030 2.773 3.171 . 0 0 "[ . 1 . 2]" 1
1043 1 143 ALA H 1 143 ALA MB 2.000 . 2.700 2.728 2.649 2.806 0.106 16 0 "[ . 1 . 2]" 1
1044 1 142 ASP H 1 143 ALA H 2.000 . 2.700 2.551 2.477 2.605 . 0 0 "[ . 1 . 2]" 1
1045 1 142 ASP QB 1 143 ALA H 2.000 . 3.300 2.424 2.273 2.582 . 0 0 "[ . 1 . 2]" 1
1046 1 142 ASP HA 1 143 ALA H 2.000 . 4.000 3.638 3.606 3.655 . 0 0 "[ . 1 . 2]" 1
1047 1 141 LEU QD 1 143 ALA H 2.000 . 2.700 2.625 2.503 2.819 0.119 17 0 "[ . 1 . 2]" 1
1048 1 143 ALA H 1 154 GLU QB 2.000 . 3.300 2.199 1.986 2.430 . 0 0 "[ . 1 . 2]" 1
1049 1 143 ALA MB 1 154 GLU QB 2.000 . 4.000 2.403 2.273 2.507 . 0 0 "[ . 1 . 2]" 1
1050 1 143 ALA MB 1 154 GLU QG 2.000 . 4.000 2.373 2.242 2.526 . 0 0 "[ . 1 . 2]" 1
1051 1 144 GLU H 1 144 GLU HB3 2.000 . 2.700 2.912 2.795 3.075 0.375 7 0 "[ . 1 . 2]" 1
1052 1 144 GLU H 1 144 GLU HB2 2.000 . 2.700 2.835 2.637 3.244 0.544 8 1 "[ . + 1 . 2]" 1
1053 1 143 ALA MB 1 144 GLU H 2.000 . 2.700 3.232 2.997 3.374 0.674 20 14 "[ **** * *1***-* **+]" 1
1054 1 143 ALA HA 1 144 GLU H 2.000 . 2.700 2.176 2.136 2.257 . 0 0 "[ . 1 . 2]" 1
1055 1 141 LEU QD 1 144 GLU HA 2.000 . 4.000 3.262 3.138 3.501 . 0 0 "[ . 1 . 2]" 1
1056 1 145 THR H 1 145 THR HB 2.000 . 4.000 3.671 3.257 4.187 0.187 16 0 "[ . 1 . 2]" 1
1057 1 145 THR H 1 145 THR MG 2.000 . 2.700 3.048 2.905 3.218 0.518 4 1 "[ +. 1 . 2]" 1
1058 1 144 GLU HA 1 145 THR H 2.000 . 2.700 2.146 2.114 2.203 . 0 0 "[ . 1 . 2]" 1
1059 1 144 GLU QG 1 145 THR H 2.000 . 4.500 3.034 2.733 3.157 . 0 0 "[ . 1 . 2]" 1
1060 1 145 THR H 1 153 GLN HA 2.000 . 4.000 3.824 3.642 4.064 0.064 5 0 "[ . 1 . 2]" 1
1061 1 145 THR H 1 152 LEU QD 2.000 . 3.300 2.662 2.353 2.888 . 0 0 "[ . 1 . 2]" 1
1062 1 146 ASP H 1 146 ASP QB 2.000 . 3.300 2.578 2.256 2.763 . 0 0 "[ . 1 . 2]" 1
1063 1 145 THR MG 1 146 ASP H 2.000 . 4.500 3.967 3.504 4.408 . 0 0 "[ . 1 . 2]" 1
1064 1 145 THR HB 1 146 ASP H 2.000 . 4.500 3.722 2.695 4.250 . 0 0 "[ . 1 . 2]" 1
1065 1 147 HIS H 1 147 HIS QB 2.000 . 2.700 2.651 2.576 2.743 0.043 15 0 "[ . 1 . 2]" 1
1066 1 146 ASP HA 1 147 HIS H 2.000 . 2.700 2.194 2.157 2.226 . 0 0 "[ . 1 . 2]" 1
1067 1 146 ASP QB 1 147 HIS H 2.000 . 3.300 2.956 2.706 3.255 . 0 0 "[ . 1 . 2]" 1
1068 1 147 HIS H 1 150 PHE H 2.000 . 4.000 3.847 3.689 4.218 0.218 8 0 "[ . 1 . 2]" 1
1069 1 147 HIS H 1 151 THR HA 2.000 . 3.300 2.805 2.585 3.022 . 0 0 "[ . 1 . 2]" 1
1070 1 147 HIS HE1 1 152 LEU QB 2.000 . 4.000 3.733 3.322 4.312 0.312 7 0 "[ . 1 . 2]" 1
1071 1 147 HIS QB 1 150 PHE QE 2.000 . 3.300 2.824 2.682 2.940 . 0 0 "[ . 1 . 2]" 1
1072 1 147 HIS QB 1 150 PHE QD 2.000 . 3.300 3.133 2.877 3.326 0.026 8 0 "[ . 1 . 2]" 1
1073 1 147 HIS HD2 1 152 LEU QB 2.000 . 3.300 4.089 3.386 4.756 1.456 5 14 "[ *-*+** *** * * * **]" 1
1074 1 148 GLU H 1 148 GLU QB 2.000 . 2.700 2.635 2.523 2.838 0.138 9 0 "[ . 1 . 2]" 1
1075 1 148 GLU H 1 148 GLU QG 2.000 . 4.500 2.491 2.286 2.774 . 0 0 "[ . 1 . 2]" 1
1076 1 147 HIS QB 1 148 GLU H 2.000 . 2.700 2.336 1.961 2.516 . 0 0 "[ . 1 . 2]" 1
1077 1 147 HIS HA 1 148 GLU H 2.000 . 3.300 2.643 2.437 2.966 . 0 0 "[ . 1 . 2]" 1
1078 1 148 GLU HA 1 149 GLY H 2.000 . 4.500 3.094 2.124 3.624 . 0 0 "[ . 1 . 2]" 1
1079 1 148 GLU QB 1 149 GLY H 2.000 . 4.000 2.895 2.498 3.657 . 0 0 "[ . 1 . 2]" 1
1080 1 148 GLU QG 1 149 GLY H 2.000 . 4.500 4.424 4.223 4.683 0.183 9 0 "[ . 1 . 2]" 1
1081 1 26 ILE HB 1 149 GLY HA3 2.000 . 4.000 4.437 4.174 4.708 0.708 3 6 "[* + . * 1 * . * -]" 1
1082 1 26 ILE MD 1 149 GLY HA3 2.000 . 4.000 2.611 2.300 3.262 . 0 0 "[ . 1 . 2]" 1
1083 1 150 PHE H 1 150 PHE QB 2.000 . 4.000 3.310 3.123 3.447 . 0 0 "[ . 1 . 2]" 1
1084 1 149 GLY H 1 150 PHE H 2.000 . 2.700 2.629 2.424 2.822 0.122 14 0 "[ . 1 . 2]" 1
1085 1 149 GLY HA3 1 150 PHE H 2.000 . 3.300 3.383 3.079 3.592 0.292 18 0 "[ . 1 . 2]" 1
1086 1 149 GLY HA2 1 150 PHE H 2.000 . 3.300 3.337 3.050 3.567 0.267 6 0 "[ . 1 . 2]" 1
1087 1 148 GLU HA 1 150 PHE H 2.000 . 4.500 4.202 3.865 4.400 . 0 0 "[ . 1 . 2]" 1
1088 1 147 HIS QB 1 150 PHE H 2.000 . 4.000 3.565 3.376 3.801 . 0 0 "[ . 1 . 2]" 1
1089 1 147 HIS HD2 1 150 PHE QE 2.000 . 2.700 3.344 2.890 3.550 0.850 4 17 "[***+******* *-* * **]" 1
1090 1 147 HIS HD2 1 150 PHE HZ 2.000 . 3.300 2.529 2.333 2.962 . 0 0 "[ . 1 . 2]" 1
1091 1 122 PRO HD2 1 150 PHE HA 2.000 . 3.300 2.930 2.580 3.516 0.216 6 0 "[ . 1 . 2]" 1
1092 1 121 VAL HA 1 150 PHE HA 2.000 . 2.700 2.514 2.344 2.764 0.064 6 0 "[ . 1 . 2]" 1
1093 1 28 ALA MB 1 150 PHE HZ 2.000 . 3.300 3.123 2.874 3.392 0.092 17 0 "[ . 1 . 2]" 1
1094 1 29 ASP QB 1 150 PHE QE 2.000 . 4.000 2.302 2.059 2.646 . 0 0 "[ . 1 . 2]" 1
1095 1 29 ASP QB 1 150 PHE QD 2.000 . 4.000 3.638 3.393 3.876 . 0 0 "[ . 1 . 2]" 1
1096 1 32 GLN HB2 1 150 PHE HZ 2.000 . 4.000 3.700 3.176 3.995 . 0 0 "[ . 1 . 2]" 1
1097 1 119 SER QB 1 150 PHE QB 2.000 . 4.000 3.263 2.867 4.094 0.094 17 0 "[ . 1 . 2]" 1
1098 1 150 PHE QE 1 152 LEU QB 2.000 . 3.300 2.403 2.311 2.524 . 0 0 "[ . 1 . 2]" 1
1099 1 151 THR H 1 151 THR HG1 2.000 . 4.500 4.454 3.975 4.779 0.279 4 0 "[ . 1 . 2]" 1
1100 1 150 PHE HA 1 151 THR H 2.000 . 4.000 2.427 2.332 2.529 . 0 0 "[ . 1 . 2]" 1
1101 1 150 PHE QB 1 151 THR H 2.000 . 2.700 2.397 2.241 2.639 . 0 0 "[ . 1 . 2]" 1
1102 1 120 ARG H 1 151 THR H 2.000 . 2.700 3.126 2.711 3.430 0.730 12 8 "[ * . - 1 +*** **]" 1
1103 1 122 PRO HG3 1 151 THR MG 2.000 . 4.000 4.197 3.777 4.770 0.770 10 1 "[ . + . 2]" 1
1104 1 120 ARG QB 1 151 THR MG 2.000 . 3.300 2.284 1.956 2.573 . 0 0 "[ . 1 . 2]" 1
1105 1 146 ASP HA 1 151 THR HA 2.000 . 2.700 2.486 2.247 2.715 0.015 14 0 "[ . 1 . 2]" 1
1106 1 119 SER HA 1 151 THR H 2.000 . 4.000 4.626 4.300 4.882 0.882 16 15 "[ ****-* *1 ****+ ***]" 1
1107 1 152 LEU H 1 152 LEU QB 2.000 . 4.500 2.148 2.088 2.259 . 0 0 "[ . 1 . 2]" 1
1108 1 152 LEU H 1 152 LEU QD 2.000 . 2.700 3.684 3.628 3.784 1.084 8 20 [*******+******-*****] 1
1109 1 151 THR HG1 1 152 LEU H 2.000 . 2.700 3.109 2.374 3.848 1.148 6 6 "[** .+ 1 - . ** 2]" 1
1110 1 147 HIS H 1 152 LEU H 2.000 . 4.500 3.843 3.494 4.069 . 0 0 "[ . 1 . 2]" 1
1111 1 151 THR HA 1 152 LEU H 2.000 . 2.700 2.045 1.985 2.112 . 0 0 "[ . 1 . 2]" 1
1112 1 151 THR HB 1 152 LEU H 2.000 . 4.500 3.684 3.234 4.115 . 0 0 "[ . 1 . 2]" 1
1113 1 146 ASP HA 1 152 LEU H 2.000 . 4.500 3.402 3.243 3.522 . 0 0 "[ . 1 . 2]" 1
1114 1 145 THR H 1 152 LEU H 2.000 . 3.300 3.690 3.455 3.972 0.672 8 4 "[- . + 1 . * *]" 1
1115 1 150 PHE QD 1 152 LEU H 2.000 . 4.000 3.577 3.226 3.841 . 0 0 "[ . 1 . 2]" 1
1116 1 153 GLN H 1 153 GLN QB 2.000 . 4.000 2.500 2.364 2.626 . 0 0 "[ . 1 . 2]" 1
1117 1 152 LEU HA 1 153 GLN H 2.000 . 3.300 2.123 2.012 2.207 . 0 0 "[ . 1 . 2]" 1
1118 1 152 LEU QD 1 153 GLN H 2.000 . 2.700 2.276 1.916 2.516 . 0 0 "[ . 1 . 2]" 1
1119 1 144 GLU HA 1 153 GLN HA 2.000 . 2.700 2.668 2.492 2.862 0.162 5 0 "[ . 1 . 2]" 1
1120 1 119 SER HA 1 153 GLN H 2.000 . 3.300 3.180 2.852 3.544 0.244 1 0 "[ . 1 . 2]" 1
1121 1 118 LEU H 1 153 GLN H 2.000 . 3.300 3.882 3.211 4.638 1.338 2 10 "[ +*** * 1 - ** **2]" 1
1122 1 144 GLU QG 1 153 GLN QG 2.000 . 4.000 2.244 2.025 3.005 . 0 0 "[ . 1 . 2]" 1
1123 1 120 ARG QG 1 153 GLN QG 2.000 . 4.000 3.421 2.323 3.920 . 0 0 "[ . 1 . 2]" 1
1124 1 120 ARG QD 1 153 GLN QB 2.000 . 4.000 3.796 3.291 4.371 0.371 2 0 "[ . 1 . 2]" 1
1125 1 118 LEU QB 1 153 GLN QB 2.000 . 3.300 2.834 2.348 3.849 0.549 16 1 "[ . 1 .+ 2]" 1
1126 1 144 GLU HG3 1 153 GLN QG 2.000 . 3.300 2.268 2.038 3.078 . 0 0 "[ . 1 . 2]" 1
1127 1 120 ARG HG3 1 153 GLN QG 2.000 . 4.000 3.761 2.626 4.373 0.373 5 0 "[ . 1 . 2]" 1
1128 1 154 GLU H 1 154 GLU QB 2.000 . 3.300 2.803 2.750 2.864 . 0 0 "[ . 1 . 2]" 1
1129 1 154 GLU H 1 154 GLU QG 2.000 . 2.700 2.715 2.454 2.902 0.202 17 0 "[ . 1 . 2]" 1
1130 1 153 GLN HA 1 154 GLU H 2.000 . 3.300 2.169 2.125 2.252 . 0 0 "[ . 1 . 2]" 1
1131 1 153 GLN QB 1 154 GLU H 2.000 . 3.300 3.605 3.238 3.933 0.633 15 5 "[* . 1 -+* * 2]" 1
1132 1 143 ALA MB 1 154 GLU H 2.000 . 3.300 3.532 3.317 3.697 0.397 8 0 "[ . 1 . 2]" 1
1133 1 143 ALA H 1 154 GLU H 2.000 . 2.700 2.983 2.864 3.119 0.419 15 0 "[ . 1 . 2]" 1
1134 1 144 GLU HA 1 154 GLU H 2.000 . 4.500 3.630 3.454 3.859 . 0 0 "[ . 1 . 2]" 1
1135 1 141 LEU QD 1 154 GLU H 2.000 . 2.700 2.800 2.586 3.130 0.430 16 0 "[ . 1 . 2]" 1
1136 1 117 VAL QG 1 154 GLU HA 2.000 . 4.000 2.628 2.256 2.876 . 0 0 "[ . 1 . 2]" 1
1137 1 155 TRP H 1 155 TRP QB 2.000 . 2.700 2.355 2.226 2.672 . 0 0 "[ . 1 . 2]" 1
1138 1 154 GLU HA 1 155 TRP H 2.000 . 2.700 2.178 2.109 2.243 . 0 0 "[ . 1 . 2]" 1
1139 1 118 LEU H 1 155 TRP H 2.000 . 4.000 4.029 3.684 4.409 0.409 6 0 "[ . 1 . 2]" 1
1140 1 116 MET H 1 155 TRP H 2.000 . 3.300 3.033 2.644 3.286 . 0 0 "[ . 1 . 2]" 1
1141 1 116 MET QB 1 155 TRP H 2.000 . 3.300 3.476 2.993 3.751 0.451 1 0 "[ . 1 . 2]" 1
1142 1 141 LEU QD 1 155 TRP HA 2.000 . 4.000 3.049 2.941 3.227 . 0 0 "[ . 1 . 2]" 1
1143 1 141 LEU HA 1 155 TRP HA 2.000 . 2.700 2.380 2.255 2.566 . 0 0 "[ . 1 . 2]" 1
1144 1 153 GLN QB 1 155 TRP HE1 2.000 . 3.300 2.964 2.463 4.102 0.802 16 1 "[ . 1 .+ 2]" 1
1145 1 153 GLN QG 1 155 TRP HE1 2.000 . 4.000 3.694 2.436 4.498 0.498 16 0 "[ . 1 . 2]" 1
1146 1 117 VAL HA 1 155 TRP H 2.000 . 4.000 3.258 2.881 3.594 . 0 0 "[ . 1 . 2]" 1
1147 1 116 MET QB 1 155 TRP QB 2.000 . 3.300 1.926 1.859 2.046 . 0 0 "[ . 1 . 2]" 1
1148 1 142 ASP QB 1 155 TRP HA 2.000 . 3.300 3.505 3.314 3.727 0.427 11 0 "[ . 1 . 2]" 1
1149 1 139 TRP QB 1 155 TRP HE3 2.000 . 2.700 2.577 2.440 2.834 0.134 12 0 "[ . 1 . 2]" 1
1150 1 156 VAL H 1 156 VAL QG 2.000 . 2.700 2.268 2.194 2.360 . 0 0 "[ . 1 . 2]" 1
1151 1 156 VAL H 1 156 VAL HB 2.000 . 3.300 2.922 2.752 3.265 . 0 0 "[ . 1 . 2]" 1
1152 1 155 TRP QB 1 156 VAL H 2.000 . 4.000 3.560 3.284 3.832 . 0 0 "[ . 1 . 2]" 1
1153 1 140 GLU H 1 156 VAL H 2.000 . 2.700 3.834 3.478 4.226 1.526 13 20 [-***********+*******] 1
1154 1 140 GLU QB 1 156 VAL H 2.000 . 4.000 5.080 4.591 5.324 1.324 13 20 [************+**-****] 1
1155 1 142 ASP H 1 156 VAL H 2.000 . 2.700 2.830 2.637 3.154 0.454 19 0 "[ . 1 . 2]" 1
1156 1 142 ASP QB 1 156 VAL H 2.000 . 2.700 2.602 2.371 3.002 0.302 19 0 "[ . 1 . 2]" 1
1157 1 142 ASP HA 1 156 VAL H 2.000 . 4.500 4.303 4.082 4.636 0.136 19 0 "[ . 1 . 2]" 1
1158 1 115 ARG HA 1 156 VAL HA 2.000 . 2.700 2.528 2.446 2.648 . 0 0 "[ . 1 . 2]" 1
1159 1 115 ARG QB 1 156 VAL HA 2.000 . 4.000 3.790 3.549 3.967 . 0 0 "[ . 1 . 2]" 1
1160 1 155 TRP HA 1 156 VAL H 2.000 . 2.700 2.287 2.246 2.349 . 0 0 "[ . 1 . 2]" 1
1161 1 157 ARG H 1 157 ARG QB 2.000 . 2.700 2.256 2.146 2.408 . 0 0 "[ . 1 . 2]" 1
1162 1 157 ARG H 1 157 ARG QG 2.000 . 3.300 2.949 2.627 3.255 . 0 0 "[ . 1 . 2]" 1
1163 1 156 VAL HB 1 157 ARG H 2.000 . 3.300 4.196 4.091 4.281 0.981 14 20 [-************+******] 1
1164 1 139 TRP QB 1 157 ARG HA 2.000 . 4.000 2.544 2.410 2.669 . 0 0 "[ . 1 . 2]" 1
1165 1 156 VAL HA 1 157 ARG H 2.000 . 2.700 2.130 2.086 2.199 . 0 0 "[ . 1 . 2]" 1
1166 1 115 ARG HA 1 157 ARG H 2.000 . 4.000 3.176 3.021 3.305 . 0 0 "[ . 1 . 2]" 1
1167 1 158 SER H 1 158 SER HA 2.000 . 2.700 2.672 2.550 2.807 0.107 11 0 "[ . 1 . 2]" 1
1168 1 158 SER H 1 158 SER QB 2.000 . 2.700 2.251 2.088 2.441 . 0 0 "[ . 1 . 2]" 1
1169 1 157 ARG H 1 158 SER H 2.000 . 4.000 4.690 4.602 4.744 0.744 16 20 [***-***********+****] 1
1170 1 157 ARG QB 1 158 SER H 2.000 . 2.700 2.953 2.643 3.200 0.500 9 1 "[ . +1 . 2]" 1
1171 1 157 ARG HG2 1 158 SER H 2.000 . 4.000 3.289 2.953 3.773 . 0 0 "[ . 1 . 2]" 1
1172 1 140 GLU H 1 158 SER H 2.000 . 4.000 4.253 3.874 4.685 0.685 10 2 "[ . + -. 2]" 1
1173 1 139 TRP HA 1 158 SER HA 2.000 . 4.000 3.998 3.657 4.383 0.383 13 0 "[ . 1 . 2]" 1
1174 1 159 ALA H 1 159 ALA MB 2.000 . 2.700 2.360 2.117 3.203 0.503 11 1 "[ . 1+ . 2]" 1
1175 1 158 SER HA 1 159 ALA H 2.000 . 3.300 2.338 2.062 3.393 0.093 9 0 "[ . 1 . 2]" 1
1176 1 158 SER QB 1 159 ALA H 2.000 . 4.000 3.740 2.483 4.058 0.058 4 0 "[ . 1 . 2]" 1
1177 1 160 SER H 1 160 SER QB 2.000 . 4.500 2.749 2.208 3.679 . 0 0 "[ . 1 . 2]" 1
1178 1 159 ALA HA 1 160 SER H 2.000 . 4.500 2.586 2.091 3.617 . 0 0 "[ . 1 . 2]" 1
1179 1 161 SER H 1 161 SER HA 2.000 . 2.700 2.625 2.337 3.089 0.389 1 0 "[ . 1 . 2]" 1
1180 1 162 ARG H 1 162 ARG HB3 2.000 . 3.300 3.121 2.769 3.674 0.374 14 0 "[ . 1 . 2]" 1
1181 1 162 ARG H 1 162 ARG QG 2.000 . 3.300 4.356 4.218 4.453 1.153 14 20 [*********-***+******] 1
1182 1 161 SER HA 1 162 ARG H 2.000 . 3.300 2.426 2.109 3.571 0.271 1 0 "[ . 1 . 2]" 1
1183 1 161 SER QB 1 162 ARG H 2.000 . 3.300 3.272 2.170 3.894 0.594 10 4 "[ . + . * -*]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 48
_Distance_constraint_stats_list.Viol_count 137
_Distance_constraint_stats_list.Viol_total 1339.405
_Distance_constraint_stats_list.Viol_max 1.570
_Distance_constraint_stats_list.Viol_rms 0.2179
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0698
_Distance_constraint_stats_list.Viol_average_violations_only 0.4888
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 GLU 6.428 0.677 11 1 "[ . 1+ . 2]"
1 3 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 ALA 10.583 1.115 2 9 "[ +*** 1 * *- **2]"
1 9 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 PRO 0.036 0.036 5 0 "[ . 1 . 2]"
1 31 LYS 0.036 0.036 5 0 "[ . 1 . 2]"
1 32 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 VAL 32.456 1.570 10 20 [*********+****-*****]
1 45 GLY 0.410 0.325 5 0 "[ . 1 . 2]"
1 49 PHE 0.410 0.325 5 0 "[ . 1 . 2]"
1 53 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 GLN 0.009 0.009 18 0 "[ . 1 . 2]"
1 63 VAL 0.030 0.030 5 0 "[ . 1 . 2]"
1 75 THR 0.009 0.009 18 0 "[ . 1 . 2]"
1 77 HIS 0.030 0.030 5 0 "[ . 1 . 2]"
1 79 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 ALA 6.428 0.677 11 1 "[ . 1+ . 2]"
1 100 ILE 32.456 1.570 10 20 [*********+****-*****]
1 102 GLY 16.838 0.863 7 12 "[ * **+ ** *** -**]"
1 106 TYR 16.838 0.863 7 12 "[ * **+ ** *** -**]"
1 114 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 VAL 10.583 1.115 2 9 "[ +*** 1 * *- **2]"
1 119 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 140 GLU 0.180 0.122 13 0 "[ . 1 . 2]"
1 145 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 152 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 156 VAL 0.180 0.122 13 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 4 VAL H 1 97 ALA O 2.100 . 2.600 1.917 1.850 2.016 . 0 0 "[ . 1 . 2]" 2
2 1 4 VAL N 1 97 ALA O 3.000 2.500 3.500 2.937 2.874 3.024 . 0 0 "[ . 1 . 2]" 2
3 1 7 ALA H 1 117 VAL O 2.100 . 2.600 2.898 2.267 3.715 1.115 2 9 "[ +*** 1 * *- **2]" 2
4 1 7 ALA N 1 117 VAL O 3.000 2.500 3.500 3.607 3.193 4.093 0.593 2 1 "[ + . 1 . 2]" 2
5 1 27 PRO O 1 31 LYS H 2.100 . 2.600 2.323 2.020 2.636 0.036 5 0 "[ . 1 . 2]" 2
6 1 27 PRO O 1 31 LYS N 3.000 2.500 3.500 2.956 2.841 3.180 . 0 0 "[ . 1 . 2]" 2
7 1 32 GLN O 1 36 ARG H 2.100 . 2.600 2.136 1.911 2.485 . 0 0 "[ . 1 . 2]" 2
8 1 32 GLN O 1 36 ARG N 3.000 2.500 3.500 2.899 2.735 3.101 . 0 0 "[ . 1 . 2]" 2
9 1 42 VAL H 1 60 ALA O 2.100 . 2.600 2.159 1.969 2.322 . 0 0 "[ . 1 . 2]" 2
10 1 42 VAL N 1 60 ALA O 3.000 2.500 3.500 3.174 2.977 3.329 . 0 0 "[ . 1 . 2]" 2
11 1 45 GLY O 1 49 PHE H 2.100 . 2.600 2.324 1.962 2.925 0.325 5 0 "[ . 1 . 2]" 2
12 1 45 GLY O 1 49 PHE N 3.000 2.500 3.500 3.031 2.794 3.512 0.012 5 0 "[ . 1 . 2]" 2
13 1 49 PHE O 1 53 ARG H 2.100 . 2.600 2.104 1.877 2.382 . 0 0 "[ . 1 . 2]" 2
14 1 49 PHE O 1 53 ARG N 3.000 2.500 3.500 3.003 2.849 3.150 . 0 0 "[ . 1 . 2]" 2
15 1 61 GLN H 1 75 THR O 2.100 . 2.600 2.266 1.939 2.609 0.009 18 0 "[ . 1 . 2]" 2
16 1 61 GLN N 1 75 THR O 3.000 2.500 3.500 3.016 2.888 3.187 . 0 0 "[ . 1 . 2]" 2
17 1 63 VAL H 1 77 HIS O 2.100 . 2.600 2.098 1.905 2.559 . 0 0 "[ . 1 . 2]" 2
18 1 63 VAL N 1 77 HIS O 3.000 2.500 3.500 3.089 2.925 3.530 0.030 5 0 "[ . 1 . 2]" 2
19 1 63 VAL O 1 79 ALA H 2.100 . 2.600 2.168 1.790 2.398 . 0 0 "[ . 1 . 2]" 2
20 1 63 VAL O 1 79 ALA N 3.000 2.500 3.500 2.957 2.794 3.178 . 0 0 "[ . 1 . 2]" 2
21 1 82 VAL O 1 86 VAL H 2.100 . 2.600 1.979 1.848 2.025 . 0 0 "[ . 1 . 2]" 2
22 1 82 VAL O 1 86 VAL N 3.000 2.500 3.500 2.892 2.851 2.937 . 0 0 "[ . 1 . 2]" 2
23 1 85 ALA O 1 89 ALA H 2.100 . 2.600 2.441 2.236 2.542 . 0 0 "[ . 1 . 2]" 2
24 1 85 ALA O 1 89 ALA N 3.000 2.500 3.500 3.350 3.168 3.463 . 0 0 "[ . 1 . 2]" 2
25 1 2 GLU O 1 97 ALA H 2.100 . 2.600 2.639 2.183 3.171 0.571 11 1 "[ . 1+ . 2]" 2
26 1 2 GLU O 1 97 ALA N 3.000 2.500 3.500 3.616 3.166 4.177 0.677 11 1 "[ . 1+ . 2]" 2
27 1 43 VAL O 1 100 ILE H 2.100 . 2.600 3.774 3.298 4.170 1.570 10 20 [****-****+**********] 2
28 1 43 VAL O 1 100 ILE N 3.000 2.500 3.500 3.949 3.727 4.215 0.715 20 6 "[ * . ** -* +]" 2
29 1 102 GLY O 1 106 TYR H 2.100 . 2.600 3.134 2.767 3.463 0.863 7 12 "[ * **+ ** *** -**]" 2
30 1 102 GLY O 1 106 TYR N 3.000 2.500 3.500 3.808 3.614 4.032 0.532 16 2 "[ - 1 .+ 2]" 2
31 1 3 LEU O 1 114 ASP H 2.100 . 2.600 1.952 1.789 2.188 . 0 0 "[ . 1 . 2]" 2
32 1 3 LEU O 1 114 ASP N 3.000 2.500 3.500 2.900 2.785 3.108 . 0 0 "[ . 1 . 2]" 2
33 1 5 SER O 1 117 VAL H 2.100 . 2.600 2.282 1.982 2.565 . 0 0 "[ . 1 . 2]" 2
34 1 5 SER O 1 117 VAL N 3.000 2.500 3.500 2.797 2.702 2.887 . 0 0 "[ . 1 . 2]" 2
35 1 7 ALA O 1 119 SER H 2.100 . 2.600 1.984 1.833 2.167 . 0 0 "[ . 1 . 2]" 2
36 1 7 ALA O 1 119 SER N 3.000 2.500 3.500 2.948 2.860 3.058 . 0 0 "[ . 1 . 2]" 2
37 1 9 LEU O 1 121 VAL H 2.100 . 2.600 1.937 1.793 2.223 . 0 0 "[ . 1 . 2]" 2
38 1 9 LEU O 1 121 VAL N 3.000 2.500 3.500 2.912 2.811 3.121 . 0 0 "[ . 1 . 2]" 2
39 1 140 GLU H 1 156 VAL O 2.100 . 2.600 1.878 1.769 1.968 . 0 0 "[ . 1 . 2]" 2
40 1 140 GLU N 1 156 VAL O 3.000 2.500 3.500 2.875 2.783 2.961 . 0 0 "[ . 1 . 2]" 2
41 1 145 THR H 1 152 LEU O 2.100 . 2.600 2.068 1.903 2.266 . 0 0 "[ . 1 . 2]" 2
42 1 145 THR N 1 152 LEU O 3.000 2.500 3.500 3.078 2.917 3.261 . 0 0 "[ . 1 . 2]" 2
43 1 145 THR O 1 152 LEU H 2.100 . 2.600 1.933 1.767 2.142 . 0 0 "[ . 1 . 2]" 2
44 1 145 THR O 1 152 LEU N 3.000 2.500 3.500 2.862 2.753 2.966 . 0 0 "[ . 1 . 2]" 2
45 1 140 GLU O 1 156 VAL H 2.100 . 2.600 2.380 1.925 2.722 0.122 13 0 "[ . 1 . 2]" 2
46 1 140 GLU O 1 156 VAL N 3.000 2.500 3.500 3.043 2.863 3.222 . 0 0 "[ . 1 . 2]" 2
47 1 5 SER H 1 115 ARG O 2.100 . 2.600 2.082 1.977 2.341 . 0 0 "[ . 1 . 2]" 2
48 1 5 SER N 1 115 ARG O 3.000 2.500 3.500 3.041 2.959 3.289 . 0 0 "[ . 1 . 2]" 2
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