NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
583242 |
2mp5   |
19963 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mp5
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 1403
_Distance_constraint_stats_list.Viol_count 6546
_Distance_constraint_stats_list.Viol_total 54194.707
_Distance_constraint_stats_list.Viol_max 1.175
_Distance_constraint_stats_list.Viol_rms 0.1209
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0209
_Distance_constraint_stats_list.Viol_average_violations_only 0.1925
_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 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 2 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 3 PRO 1.779 0.083 36 0 "[ . 1 . 2 . 3 . 4 ]"
1 4 VAL 22.736 1.105 41 15 "[ * . * - * *2* .*** 3** . ** 4+* ]"
1 5 CYS 3.039 0.119 20 0 "[ . 1 . 2 . 3 . 4 ]"
1 6 GLY 4.753 0.238 34 0 "[ . 1 . 2 . 3 . 4 ]"
1 7 ASN 8.143 0.167 9 0 "[ . 1 . 2 . 3 . 4 ]"
1 8 LYS 6.711 0.134 32 0 "[ . 1 . 2 . 3 . 4 ]"
1 9 ILE 18.546 1.015 26 13 "[ * . * . * *2 .+ * 3*- . ** *** ]"
1 10 LEU 40.648 1.105 41 31 "[*** * * *****-** *2** ********* . ***4+**]"
1 11 GLU 33.465 1.046 21 27 "[** **** *1-***** * *+**** ** * ** *4 *]"
1 12 GLN 13.270 0.167 9 0 "[ . 1 . 2 . 3 . 4 ]"
1 13 GLY 0.452 0.046 34 0 "[ . 1 . 2 . 3 . 4 ]"
1 14 GLU 2.266 0.097 32 0 "[ . 1 . 2 . 3 . 4 ]"
1 15 ASP 38.636 0.947 8 43 [*******+****************-******************]
1 16 CYS 27.877 0.947 41 16 "[ * . * * . * *2-* .* * 3** .*** 4+* ]"
1 17 ASP 62.820 1.025 15 43 [**************+********-*******************]
1 18 CYS 19.076 1.017 14 19 "[** * * 1***+-* 2** * ** ** . *4 *]"
1 19 GLY 1.588 0.055 24 0 "[ . 1 . 2 . 3 . 4 ]"
1 20 SER 0.431 0.035 41 0 "[ . 1 . 2 . 3 . 4 ]"
1 21 PRO 35.828 1.020 36 42 "[**************-** *****************+*******]"
1 22 ALA 0.765 0.043 18 0 "[ . 1 . 2 . 3 . 4 ]"
1 23 ASN 2.273 0.068 14 0 "[ . 1 . 2 . 3 . 4 ]"
1 24 CYS 6.068 0.113 33 0 "[ . 1 . 2 . 3 . 4 ]"
1 25 GLN 38.713 1.020 36 42 "[**************-** *****************+*******]"
1 26 ASP 2.753 0.133 33 0 "[ . 1 . 2 . 3 . 4 ]"
1 27 ARG 1.768 0.138 18 0 "[ . 1 . 2 . 3 . 4 ]"
1 28 CYS 0.322 0.138 18 0 "[ . 1 . 2 . 3 . 4 ]"
1 29 CYS 1.335 0.757 37 1 "[ . 1 . 2 . 3 . + 4 ]"
1 30 ASN 2.386 0.081 24 0 "[ . 1 . 2 . 3 . 4 ]"
1 31 ALA 2.814 0.158 32 0 "[ . 1 . 2 . 3 . 4 ]"
1 32 ALA 2.618 0.053 41 0 "[ . 1 . 2 . 3 . 4 ]"
1 33 THR 9.492 0.177 24 0 "[ . 1 . 2 . 3 . 4 ]"
1 34 CYS 54.662 1.046 21 40 "[********************+***** ****** *****4***]"
1 35 LYS 36.711 0.947 8 43 [*******+****************-******************]
1 36 LEU 17.491 0.810 35 14 "[ *.* -* * * 2 *. *3 **+* 4* *]"
1 37 THR 0.278 0.027 41 0 "[ . 1 . 2 . 3 . 4 ]"
1 38 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 39 GLY 0.146 0.030 6 0 "[ . 1 . 2 . 3 . 4 ]"
1 40 SER 1.652 0.667 33 2 "[ . - 1 . 2 . 3 + . 4 ]"
1 41 GLN 54.169 1.029 18 40 "[***** ***********+**********-******* **4***]"
1 42 CYS 6.716 0.149 38 0 "[ . 1 . 2 . 3 . 4 ]"
1 43 ASN 3.256 0.113 43 0 "[ . 1 . 2 . 3 . 4 ]"
1 44 TYR 38.677 1.025 15 35 "[** ******1 ***+*** ****-************ **4 *]"
1 45 GLY 2.241 0.244 35 0 "[ . 1 . 2 . 3 . 4 ]"
1 46 GLU 13.500 0.720 16 4 "[ . * 1 .+ 2 - . 3 . * 4 ]"
1 47 CYS 12.790 0.559 16 2 "[ . 1 .+ 2 . 3 . - 4 ]"
1 48 CYS 7.736 0.149 38 0 "[ . 1 . 2 . 3 . 4 ]"
1 49 ASP 0.584 0.042 35 0 "[ . 1 . 2 . 3 . 4 ]"
1 50 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 51 CYS 39.775 1.029 18 39 "[***** ***1*******+**********-******* **4***]"
1 52 ARG 23.255 1.002 5 18 "[*** + ** * *-* * * . 3** * *4 **]"
1 53 PHE 69.300 1.031 23 43 [****************-*****+********************]
1 54 LYS 14.984 0.447 15 0 "[ . 1 . 2 . 3 . 4 ]"
1 55 LYS 1.976 0.046 40 0 "[ . 1 . 2 . 3 . 4 ]"
1 56 ALA 151.622 1.146 37 43 [************************************+*-****]
1 57 GLY 46.474 1.082 33 43 [****-***************************+**********]
1 58 THR 7.851 0.123 30 0 "[ . 1 . 2 . 3 . 4 ]"
1 59 VAL 14.443 0.558 43 2 "[ . 1 . 2 . -3 . 4 +]"
1 60 CYS 3.404 0.055 21 0 "[ . 1 . 2 . 3 . 4 ]"
1 61 ARG 111.651 1.065 21 42 [********************+**********-**.********]
1 62 ILE 89.893 1.133 25 42 [**********-*************+*********.********]
1 63 ALA 96.934 1.013 9 42 "[ *******+****-*****************************]"
1 64 ARG 55.066 1.133 25 42 "[*******-****************+************* ****]"
1 65 GLY 43.058 1.067 39 43 [****-*********************************+****]
1 66 ASP 61.440 1.003 33 41 "[ *********-* *******************+**********]"
1 67 TRP 135.177 1.092 43 43 [*******-**********************************+]
1 68 ASN 113.204 1.067 39 43 [***********-**************************+****]
1 69 ASP 68.090 1.175 39 43 [****************************-*********+****]
1 70 ASP 158.661 1.092 43 43 [*******************************-**********+]
1 71 TYR 64.264 1.146 37 43 [****************-*******************+******]
1 72 CYS 20.994 0.559 16 2 "[ . 1 .+ 2 . 3 . - 4 ]"
1 73 THR 36.913 1.018 4 43 [***+***********-***************************]
1 74 GLY 0.146 0.013 13 0 "[ . 1 . 2 . 3 . 4 ]"
1 75 LYS 10.181 0.368 11 0 "[ . 1 . 2 . 3 . 4 ]"
1 76 SER 75.152 1.028 27 43 [**************************+***********-****]
1 77 SER 12.743 0.368 11 0 "[ . 1 . 2 . 3 . 4 ]"
1 78 ASP 2.623 0.066 39 0 "[ . 1 . 2 . 3 . 4 ]"
1 79 CYS 56.138 1.082 33 43 [**********************-*********+**********]
1 80 PRO 42.704 1.018 4 43 [***+***********-***************************]
1 81 TRP 85.658 1.074 41 43 [**************-*************************+**]
1 82 ASN 91.655 1.175 39 43 [***********-**************************+****]
1 83 HIS 51.176 1.074 41 43 [****************************************+*-]
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 1 SER HA 1 2 PRO QD 4.000 . 4.000 2.313 1.892 3.534 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
2 1 1 SER QB 1 2 PRO QB 6.000 . 6.000 4.832 3.774 5.640 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
3 1 1 SER QB 1 2 PRO QG 6.000 . 6.000 4.390 3.224 5.422 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
4 1 1 SER QB 1 2 PRO QD 5.000 . 5.000 2.830 1.844 3.864 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
5 1 2 PRO HA 1 3 PRO QD 4.000 . 4.000 2.613 1.857 3.536 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
6 1 3 PRO HA 1 4 VAL H 3.000 . 3.000 2.412 2.185 2.814 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
7 1 3 PRO HA 1 4 VAL QG 5.000 . 5.000 3.711 3.402 4.223 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
8 1 3 PRO QB 1 4 VAL H 5.000 . 5.000 3.853 3.606 4.011 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
9 1 3 PRO HA 1 11 GLU H 6.000 . 6.000 4.139 3.672 4.766 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
10 1 3 PRO HA 1 11 GLU QB 5.500 . 5.500 3.152 1.773 5.500 0.000 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
11 1 3 PRO HA 1 11 GLU QG 5.000 . 5.000 3.270 1.934 5.024 0.024 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
12 1 3 PRO QB 1 11 GLU QG 6.000 . 6.000 3.199 1.953 5.010 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
13 1 3 PRO HA 1 12 GLN H 6.000 . 6.000 2.487 1.872 2.947 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
14 1 3 PRO QB 1 12 GLN QB 5.000 . 5.000 2.618 1.774 3.240 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
15 1 3 PRO QD 1 12 GLN H 6.000 . 6.000 5.470 4.859 5.823 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
16 1 3 PRO QG 1 12 GLN HA 5.000 . 5.000 3.739 3.312 4.291 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
17 1 3 PRO QD 1 12 GLN HA 5.000 . 5.000 4.866 4.631 5.078 0.078 34 0 "[ . 1 . 2 . 3 . 4 ]" 1
18 1 3 PRO QD 1 12 GLN QB 5.000 . 5.000 4.930 4.193 5.083 0.083 36 0 "[ . 1 . 2 . 3 . 4 ]" 1
19 1 4 VAL H 1 5 CYS H 4.500 . 4.500 4.304 4.149 4.499 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
20 1 4 VAL HA 1 5 CYS H 3.000 . 3.000 2.195 2.128 2.301 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
21 1 4 VAL HA 1 5 CYS HA 5.000 . 5.000 4.382 4.330 4.425 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
22 1 4 VAL HA 1 5 CYS QB 5.000 . 5.000 4.091 4.047 4.167 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
23 1 4 VAL HB 1 5 CYS H 5.000 . 5.000 3.609 2.678 4.194 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
24 1 4 VAL QG 1 5 CYS H 5.000 . 5.000 3.046 1.941 3.571 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
25 1 4 VAL QG 1 5 CYS QB 6.000 . 6.000 4.308 3.297 4.762 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
26 1 4 VAL HA 1 6 GLY H 6.000 . 6.000 5.293 4.991 5.538 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
27 1 4 VAL HA 1 6 GLY QA 6.000 . 6.000 6.051 6.002 6.080 0.080 32 0 "[ . 1 . 2 . 3 . 4 ]" 1
28 1 4 VAL QG 1 6 GLY H 5.000 . 5.000 4.210 3.403 4.769 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
29 1 4 VAL QG 1 6 GLY QA 6.000 . 6.000 4.392 3.430 5.018 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
30 1 4 VAL H 1 7 ASN QB 5.000 . 5.000 3.512 2.318 4.276 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
31 1 4 VAL HB 1 7 ASN H 5.000 . 5.000 4.102 3.632 5.031 0.031 28 0 "[ . 1 . 2 . 3 . 4 ]" 1
32 1 4 VAL HB 1 7 ASN QB 5.000 . 5.000 2.423 1.707 4.054 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
33 1 4 VAL QG 1 7 ASN H 5.000 . 5.000 3.867 3.239 4.495 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
34 1 4 VAL QG 1 7 ASN QB 5.000 . 5.000 2.226 1.738 3.735 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
35 1 4 VAL H 1 9 ILE MG 5.000 . 5.000 3.755 1.775 4.728 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
36 1 4 VAL H 1 9 ILE H 5.000 . 5.000 4.980 4.490 5.094 0.094 6 0 "[ . 1 . 2 . 3 . 4 ]" 1
37 1 4 VAL H 1 9 ILE HB 5.000 . 5.000 3.424 2.984 3.870 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
38 1 4 VAL H 1 9 ILE MD 5.000 . 5.000 3.457 3.004 4.744 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
39 1 4 VAL QG 1 10 LEU QD 6.000 . 6.000 6.400 5.879 7.105 1.105 41 15 "[ * . * - * *2* .*** 3** . ** 4+* ]" 1
40 1 4 VAL H 1 11 GLU QG 5.000 . 5.000 4.180 3.690 4.970 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
41 1 4 VAL QG 1 11 GLU HA 6.000 . 6.000 5.275 3.644 6.055 0.055 18 0 "[ . 1 . 2 . 3 . 4 ]" 1
42 1 4 VAL H 1 12 GLN H 5.000 . 5.000 3.252 2.437 4.237 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
43 1 4 VAL HA 1 12 GLN H 5.000 . 5.000 4.666 4.391 4.853 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
44 1 4 VAL QG 1 12 GLN H 5.000 . 5.000 4.444 3.991 5.029 0.029 10 0 "[ . 1 . 2 . 3 . 4 ]" 1
45 1 5 CYS H 1 6 GLY H 5.000 . 5.000 4.168 3.947 4.345 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
46 1 5 CYS HA 1 6 GLY H 3.000 . 3.000 2.177 2.135 2.237 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
47 1 5 CYS HA 1 6 GLY QA 6.000 . 6.000 3.896 3.880 3.919 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
48 1 5 CYS QB 1 6 GLY H 5.000 . 5.000 3.873 3.704 3.979 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
49 1 5 CYS H 1 7 ASN H 6.000 . 6.000 5.148 4.952 5.318 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
50 1 5 CYS HA 1 7 ASN H 4.500 . 4.500 3.672 3.587 3.774 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
51 1 5 CYS HA 1 8 LYS H 5.000 . 5.000 5.033 5.007 5.059 0.059 38 0 "[ . 1 . 2 . 3 . 4 ]" 1
52 1 5 CYS HA 1 11 GLU H 5.000 . 5.000 4.336 2.613 5.119 0.119 20 0 "[ . 1 . 2 . 3 . 4 ]" 1
53 1 5 CYS H 1 12 GLN H 6.000 . 6.000 5.182 4.500 6.058 0.058 41 0 "[ . 1 . 2 . 3 . 4 ]" 1
54 1 5 CYS QB 1 34 CYS QB 5.000 . 5.000 3.736 3.237 4.055 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
55 1 6 GLY H 1 7 ASN H 3.000 . 3.000 1.809 1.621 1.966 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
56 1 6 GLY H 1 7 ASN HA 6.000 . 6.000 4.583 4.389 4.738 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
57 1 6 GLY QA 1 7 ASN H 5.000 . 5.000 2.781 2.760 2.809 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
58 1 6 GLY H 1 8 LYS H 5.000 . 5.000 3.170 3.081 3.214 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
59 1 6 GLY QA 1 8 LYS H 5.000 . 5.000 3.369 3.301 3.448 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
60 1 6 GLY H 1 8 LYS HA 5.000 . 5.000 5.007 4.930 5.071 0.071 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
61 1 6 GLY H 1 9 ILE H 5.000 . 5.000 3.824 3.343 4.479 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
62 1 6 GLY H 1 17 ASP HA 6.000 . 6.000 5.330 3.904 6.238 0.238 34 0 "[ . 1 . 2 . 3 . 4 ]" 1
63 1 6 GLY H 1 17 ASP QB 6.000 . 6.000 3.853 2.067 5.736 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
64 1 6 GLY H 1 18 CYS H 6.000 . 6.000 4.485 3.203 5.042 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
65 1 6 GLY H 1 19 GLY H 6.000 . 6.000 6.029 6.003 6.055 0.055 24 0 "[ . 1 . 2 . 3 . 4 ]" 1
66 1 6 GLY QA 1 19 GLY H 5.000 . 5.000 4.878 4.594 5.048 0.048 23 0 "[ . 1 . 2 . 3 . 4 ]" 1
67 1 6 GLY QA 1 20 SER H 6.000 . 6.000 4.898 4.237 5.363 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
68 1 7 ASN H 1 7 ASN QD 5.000 . 5.000 4.376 2.848 4.988 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
69 1 7 ASN H 1 8 LYS H 3.000 . 3.000 1.909 1.839 1.988 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
70 1 7 ASN H 1 8 LYS HA 4.000 . 4.000 4.075 4.052 4.095 0.095 28 0 "[ . 1 . 2 . 3 . 4 ]" 1
71 1 7 ASN HA 1 8 LYS H 4.000 . 4.000 3.177 3.088 3.263 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
72 1 7 ASN QB 1 8 LYS H 4.000 . 4.000 3.483 3.337 3.603 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
73 1 7 ASN H 1 9 ILE H 4.000 . 4.000 2.792 2.494 3.287 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
74 1 7 ASN QB 1 9 ILE H 5.000 . 5.000 3.009 2.681 3.177 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
75 1 7 ASN QB 1 9 ILE HB 5.000 . 5.000 3.340 2.620 4.095 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
76 1 7 ASN QB 1 12 GLN H 5.500 . 5.500 5.612 5.571 5.667 0.167 9 0 "[ . 1 . 2 . 3 . 4 ]" 1
77 1 8 LYS H 1 8 LYS QG 5.000 . 5.000 3.552 2.676 4.083 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
78 1 8 LYS H 1 9 ILE H 4.000 . 4.000 2.435 2.100 2.892 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
79 1 8 LYS HA 1 9 ILE H 4.000 . 4.000 3.080 3.004 3.457 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
80 1 8 LYS HA 1 9 ILE HA 5.000 . 5.000 4.498 4.438 4.735 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
81 1 8 LYS QB 1 9 ILE H 5.000 . 5.000 3.631 2.919 3.735 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
82 1 8 LYS QG 1 9 ILE H 6.000 . 6.000 4.495 3.922 4.693 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
83 1 8 LYS QD 1 9 ILE H 6.000 . 6.000 5.561 4.275 6.002 0.002 34 0 "[ . 1 . 2 . 3 . 4 ]" 1
84 1 8 LYS H 1 10 LEU QD 6.500 . 6.500 6.310 5.739 6.634 0.134 32 0 "[ . 1 . 2 . 3 . 4 ]" 1
85 1 8 LYS HA 1 17 ASP QB 5.000 . 5.000 4.211 2.880 5.019 0.019 26 0 "[ . 1 . 2 . 3 . 4 ]" 1
86 1 8 LYS H 1 18 CYS H 6.000 . 6.000 4.442 3.014 5.326 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
87 1 8 LYS H 1 18 CYS HA 5.000 . 5.000 4.156 3.436 4.934 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
88 1 8 LYS HA 1 18 CYS H 6.000 . 6.000 4.368 3.317 5.321 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
89 1 8 LYS HA 1 18 CYS HA 5.000 . 5.000 2.828 1.988 3.756 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
90 1 8 LYS QG 1 18 CYS HA 5.000 . 5.000 3.442 2.231 5.002 0.002 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
91 1 8 LYS H 1 19 GLY H 4.000 . 4.000 3.600 3.156 4.023 0.023 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
92 1 8 LYS H 1 19 GLY QA 5.000 . 5.000 2.399 2.037 3.002 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
93 1 8 LYS HA 1 19 GLY H 5.000 . 5.000 2.757 2.264 3.249 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
94 1 8 LYS HA 1 19 GLY QA 5.000 . 5.000 3.291 2.597 3.703 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
95 1 8 LYS QG 1 19 GLY H 5.000 . 5.000 2.421 1.938 3.362 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
96 1 8 LYS QG 1 19 GLY QA 6.000 . 6.000 2.905 1.699 3.708 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
97 1 8 LYS QD 1 19 GLY H 6.000 . 6.000 3.758 1.886 4.752 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
98 1 8 LYS QD 1 19 GLY QA 6.000 . 6.000 3.595 1.938 4.586 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
99 1 8 LYS HA 1 20 SER H 6.000 . 6.000 5.485 4.996 6.009 0.009 36 0 "[ . 1 . 2 . 3 . 4 ]" 1
100 1 8 LYS QG 1 20 SER H 5.000 . 5.000 4.638 3.854 5.035 0.035 41 0 "[ . 1 . 2 . 3 . 4 ]" 1
101 1 8 LYS QD 1 20 SER H 6.000 . 6.000 5.488 3.436 6.005 0.005 31 0 "[ . 1 . 2 . 3 . 4 ]" 1
102 1 9 ILE H 1 9 ILE QG 5.000 . 5.000 2.828 1.928 4.039 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
103 1 9 ILE H 1 9 ILE MD 5.000 . 5.000 3.607 1.964 4.372 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
104 1 9 ILE H 1 10 LEU H 5.000 . 5.000 4.316 4.078 4.607 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
105 1 9 ILE H 1 10 LEU QD 5.000 . 5.000 4.985 4.771 5.061 0.061 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
106 1 9 ILE HA 1 10 LEU H 3.500 . 3.500 2.204 2.135 2.324 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
107 1 9 ILE HA 1 10 LEU QD 5.000 . 5.000 3.088 2.721 3.406 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
108 1 9 ILE HB 1 10 LEU H 5.000 . 5.000 3.989 3.792 4.482 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
109 1 9 ILE HB 1 10 LEU QD 6.000 . 6.000 4.954 4.030 5.356 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
110 1 9 ILE QG 1 10 LEU H 5.000 . 5.000 4.156 3.078 4.658 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
111 1 9 ILE MG 1 10 LEU H 5.000 . 5.000 2.814 1.941 3.502 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
112 1 9 ILE MG 1 10 LEU QB 6.000 . 6.000 4.457 3.200 5.296 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
113 1 9 ILE MD 1 10 LEU H 6.000 . 6.000 4.734 1.925 5.532 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
114 1 9 ILE MD 1 10 LEU QD 6.000 . 6.000 5.075 2.570 5.896 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
115 1 9 ILE HB 1 11 GLU H 5.000 . 5.000 3.542 2.894 4.532 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
116 1 9 ILE HB 1 11 GLU QG 6.000 . 6.000 5.114 2.316 6.060 0.060 38 0 "[ . 1 . 2 . 3 . 4 ]" 1
117 1 9 ILE QG 1 11 GLU H 6.000 . 6.000 4.711 3.885 5.402 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
118 1 9 ILE MG 1 11 GLU H 6.000 . 6.000 3.224 1.750 4.375 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
119 1 9 ILE MG 1 11 GLU HA 5.000 . 5.000 4.098 3.331 5.016 0.016 2 0 "[ . 1 . 2 . 3 . 4 ]" 1
120 1 9 ILE MG 1 11 GLU QB 5.000 . 5.000 3.334 1.761 4.658 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
121 1 9 ILE MG 1 11 GLU QG 5.000 . 5.000 4.157 1.961 5.039 0.039 26 0 "[ . 1 . 2 . 3 . 4 ]" 1
122 1 9 ILE QG 1 12 GLN H 5.000 . 5.000 5.023 4.908 5.071 0.071 25 0 "[ . 1 . 2 . 3 . 4 ]" 1
123 1 9 ILE HB 1 12 GLN H 5.000 . 5.000 4.168 3.610 5.098 0.098 23 0 "[ . 1 . 2 . 3 . 4 ]" 1
124 1 9 ILE MG 1 12 GLN H 6.000 . 6.000 3.487 1.928 5.295 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
125 1 9 ILE MG 1 12 GLN QB 6.000 . 6.000 4.860 3.081 6.076 0.076 36 0 "[ . 1 . 2 . 3 . 4 ]" 1
126 1 9 ILE MD 1 12 GLN H 5.000 . 5.000 4.845 4.012 5.039 0.039 5 0 "[ . 1 . 2 . 3 . 4 ]" 1
127 1 9 ILE H 1 17 ASP H 6.000 . 6.000 6.046 5.234 7.015 1.015 26 13 "[ * . * . * *2 .+ * 3*- . ** *** ]" 1
128 1 9 ILE H 1 17 ASP QB 6.000 . 6.000 3.837 2.636 4.875 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
129 1 10 LEU H 1 10 LEU HG 5.000 . 5.000 2.323 1.872 3.922 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
130 1 10 LEU H 1 10 LEU QD 5.000 . 5.000 1.913 1.678 2.173 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
131 1 10 LEU H 1 11 GLU H 5.000 . 5.000 3.565 3.342 3.842 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
132 1 10 LEU H 1 11 GLU HA 6.000 . 6.000 5.206 4.944 5.375 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
133 1 10 LEU HA 1 11 GLU H 4.000 . 4.000 2.539 2.422 2.727 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
134 1 10 LEU HA 1 11 GLU QB 5.000 . 5.000 4.315 3.775 4.869 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
135 1 10 LEU QB 1 11 GLU H 5.000 . 5.000 3.926 3.866 3.991 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
136 1 10 LEU HG 1 11 GLU H 5.000 . 5.000 4.672 4.334 5.099 0.099 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
137 1 10 LEU QD 1 11 GLU H 5.000 . 5.000 4.389 3.590 4.603 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
138 1 10 LEU QD 1 11 GLU HA 6.000 . 6.000 5.081 4.375 5.790 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
139 1 10 LEU QD 1 11 GLU QB 5.000 . 5.000 4.872 4.509 5.144 0.144 41 0 "[ . 1 . 2 . 3 . 4 ]" 1
140 1 10 LEU QD 1 11 GLU QG 6.000 . 6.000 5.739 3.464 6.155 0.155 38 0 "[ . 1 . 2 . 3 . 4 ]" 1
141 1 10 LEU H 1 12 GLN H 6.000 . 6.000 5.160 3.985 5.825 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
142 1 10 LEU QD 1 12 GLN H 6.000 . 6.000 5.493 3.167 6.137 0.137 21 0 "[ . 1 . 2 . 3 . 4 ]" 1
143 1 10 LEU HA 1 14 GLU QG 6.000 . 6.000 3.603 1.888 5.298 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
144 1 10 LEU QD 1 14 GLU QB 6.000 . 6.000 4.692 3.441 5.570 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
145 1 10 LEU QD 1 14 GLU QG 6.000 . 6.000 4.854 3.630 5.988 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
146 1 10 LEU QD 1 14 GLU H 6.000 . 6.000 4.909 2.312 6.001 0.001 25 0 "[ . 1 . 2 . 3 . 4 ]" 1
147 1 10 LEU QD 1 15 ASP H 6.000 . 6.000 3.594 1.848 4.606 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
148 1 10 LEU H 1 16 CYS H 6.000 . 6.000 5.603 4.932 6.037 0.037 21 0 "[ . 1 . 2 . 3 . 4 ]" 1
149 1 10 LEU QD 1 16 CYS H 5.000 . 5.000 3.571 2.393 4.446 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
150 1 10 LEU QD 1 16 CYS HA 5.000 . 5.000 3.321 2.090 4.364 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
151 1 10 LEU QD 1 16 CYS QB 5.000 . 5.000 4.592 3.748 5.036 0.036 14 0 "[ . 1 . 2 . 3 . 4 ]" 1
152 1 10 LEU H 1 17 ASP H 6.000 . 6.000 4.948 4.133 5.610 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
153 1 10 LEU H 1 17 ASP QB 6.000 . 6.000 4.182 1.998 5.572 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
154 1 10 LEU HA 1 17 ASP QB 5.000 . 5.000 2.827 1.723 3.953 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
155 1 10 LEU QD 1 17 ASP H 5.000 . 5.000 3.427 2.607 4.078 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
156 1 10 LEU QB 1 17 ASP QB 5.000 . 5.000 3.828 1.998 5.004 0.004 7 0 "[ . 1 . 2 . 3 . 4 ]" 1
157 1 10 LEU QD 1 17 ASP QB 5.000 . 5.000 3.888 1.807 5.031 0.031 9 0 "[ . 1 . 2 . 3 . 4 ]" 1
158 1 10 LEU QD 1 18 CYS H 6.000 . 6.000 6.274 5.288 7.017 1.017 14 19 "[** * * 1***+-* 2** * ** ** . *4 *]" 1
159 1 10 LEU QD 1 43 ASN QD 6.000 . 6.000 2.983 1.730 5.058 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
160 1 10 LEU QD 1 44 TYR QD 6.000 . 6.000 2.512 1.850 4.184 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
161 1 10 LEU QD 1 44 TYR QE 6.000 . 6.000 2.472 1.803 3.836 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
162 1 11 GLU H 1 11 GLU QG 5.000 . 5.000 3.952 2.850 4.179 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
163 1 11 GLU H 1 12 GLN H 4.000 . 4.000 2.527 1.965 3.525 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
164 1 11 GLU HA 1 12 GLN H 4.000 . 4.000 3.138 2.332 3.595 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
165 1 11 GLU QB 1 12 GLN H 5.000 . 5.000 3.067 2.389 4.041 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
166 1 11 GLU QG 1 12 GLN H 4.000 . 4.000 3.782 3.493 4.084 0.084 41 0 "[ . 1 . 2 . 3 . 4 ]" 1
167 1 11 GLU H 1 14 GLU H 5.000 . 5.000 4.386 3.948 4.959 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
168 1 11 GLU H 1 14 GLU QB 5.500 . 5.500 4.315 3.630 5.054 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
169 1 11 GLU H 1 14 GLU QG 5.500 . 5.500 3.951 2.762 4.855 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
170 1 11 GLU H 1 16 CYS H 6.000 . 6.000 5.585 4.950 6.004 0.004 16 0 "[ . 1 . 2 . 3 . 4 ]" 1
171 1 11 GLU H 1 17 ASP H 6.000 . 6.000 5.863 5.095 6.047 0.047 3 0 "[ . 1 . 2 . 3 . 4 ]" 1
172 1 11 GLU H 1 17 ASP QB 5.000 . 5.000 4.047 2.496 5.014 0.014 9 0 "[ . 1 . 2 . 3 . 4 ]" 1
173 1 11 GLU H 1 34 CYS QB 6.000 . 6.000 6.438 4.814 7.046 1.046 21 27 "[** **** *1-***** * *+**** ** * ** *4 *]" 1
174 1 12 GLN H 1 12 GLN QG 5.000 . 5.000 3.863 2.648 4.271 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
175 1 12 GLN H 1 13 GLY H 5.000 . 5.000 3.793 3.026 4.169 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
176 1 12 GLN HA 1 13 GLY H 3.500 . 3.500 2.862 2.441 3.546 0.046 34 0 "[ . 1 . 2 . 3 . 4 ]" 1
177 1 12 GLN HA 1 13 GLY QA 5.000 . 5.000 4.065 3.945 4.243 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
178 1 12 GLN QB 1 13 GLY H 5.000 . 5.000 3.303 1.768 4.048 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
179 1 12 GLN QG 1 13 GLY H 5.000 . 5.000 4.055 2.303 4.627 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
180 1 12 GLN H 1 14 GLU H 6.000 . 6.000 4.138 3.756 4.758 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
181 1 12 GLN HA 1 14 GLU H 5.000 . 5.000 4.616 4.275 5.045 0.045 8 0 "[ . 1 . 2 . 3 . 4 ]" 1
182 1 12 GLN HA 1 14 GLU QB 6.000 . 6.000 5.750 5.290 6.097 0.097 32 0 "[ . 1 . 2 . 3 . 4 ]" 1
183 1 12 GLN HA 1 14 GLU QG 6.000 . 6.000 5.390 3.998 6.075 0.075 17 0 "[ . 1 . 2 . 3 . 4 ]" 1
184 1 12 GLN QB 1 14 GLU QB 6.000 . 6.000 4.153 3.209 5.710 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
185 1 12 GLN H 1 17 ASP QB 6.000 . 6.000 5.328 4.405 6.007 0.007 42 0 "[ . 1 . 2 . 3 . 4 ]" 1
186 1 13 GLY H 1 14 GLU H 4.000 . 4.000 2.849 2.069 3.173 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
187 1 13 GLY H 1 14 GLU HA 6.000 . 6.000 5.050 3.979 5.534 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
188 1 13 GLY QA 1 14 GLU H 5.000 . 5.000 2.721 2.505 2.830 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
189 1 14 GLU H 1 14 GLU QG 5.000 . 5.000 2.624 1.792 3.634 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
190 1 14 GLU H 1 15 ASP H 5.000 . 5.000 2.426 2.154 2.729 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
191 1 14 GLU HA 1 15 ASP H 4.000 . 4.000 3.534 3.421 3.570 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
192 1 14 GLU QB 1 15 ASP H 5.000 . 5.000 2.822 2.069 3.351 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
193 1 14 GLU QG 1 15 ASP H 5.000 . 5.000 3.260 1.769 4.744 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
194 1 14 GLU H 1 16 CYS H 6.000 . 6.000 4.285 3.467 4.548 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
195 1 14 GLU HA 1 16 CYS H 5.000 . 5.000 4.403 4.011 5.034 0.034 41 0 "[ . 1 . 2 . 3 . 4 ]" 1
196 1 14 GLU QB 1 16 CYS H 5.000 . 5.000 2.693 2.161 3.091 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
197 1 14 GLU QG 1 16 CYS H 5.000 . 5.000 3.649 1.827 5.041 0.041 3 0 "[ . 1 . 2 . 3 . 4 ]" 1
198 1 14 GLU HA 1 34 CYS QB 5.000 . 5.000 3.252 2.469 4.618 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
199 1 14 GLU QB 1 34 CYS QB 5.000 . 5.000 2.146 1.737 2.605 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
200 1 14 GLU QG 1 34 CYS QB 5.000 . 5.000 2.871 1.809 4.258 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
201 1 15 ASP H 1 16 CYS H 3.000 . 3.000 2.411 2.119 2.630 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
202 1 15 ASP HA 1 16 CYS H 5.000 . 5.000 3.055 2.736 3.161 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
203 1 15 ASP QB 1 16 CYS H 5.000 . 5.000 3.668 3.566 3.845 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
204 1 15 ASP H 1 17 ASP QB 5.000 . 5.000 4.710 4.299 5.107 0.107 19 0 "[ . 1 . 2 . 3 . 4 ]" 1
205 1 15 ASP H 1 34 CYS HA 6.000 . 6.000 6.051 6.013 6.126 0.126 34 0 "[ . 1 . 2 . 3 . 4 ]" 1
206 1 15 ASP H 1 34 CYS QB 5.500 . 5.500 5.306 5.062 5.502 0.002 22 0 "[ . 1 . 2 . 3 . 4 ]" 1
207 1 15 ASP H 1 35 LYS H 6.000 . 6.000 6.803 6.535 6.947 0.947 8 43 [*******+****************-******************] 1
208 1 15 ASP H 1 35 LYS HA 5.000 . 5.000 4.962 4.758 5.083 0.083 26 0 "[ . 1 . 2 . 3 . 4 ]" 1
209 1 15 ASP QB 1 35 LYS H 6.000 . 6.000 5.837 4.992 6.043 0.043 25 0 "[ . 1 . 2 . 3 . 4 ]" 1
210 1 15 ASP QB 1 35 LYS HA 5.000 . 5.000 3.235 2.328 3.504 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
211 1 15 ASP HA 1 36 LEU QD 6.000 . 6.000 5.012 3.806 5.658 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
212 1 15 ASP QB 1 36 LEU H 4.500 . 4.500 3.650 3.024 3.913 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
213 1 15 ASP QB 1 36 LEU QB 5.000 . 5.000 4.908 4.384 5.029 0.029 32 0 "[ . 1 . 2 . 3 . 4 ]" 1
214 1 15 ASP QB 1 36 LEU HG 5.000 . 5.000 3.753 2.924 4.431 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
215 1 15 ASP QB 1 36 LEU QD 5.000 . 5.000 3.329 1.974 3.970 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
216 1 16 CYS H 1 17 ASP H 5.000 . 5.000 3.112 2.435 3.832 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
217 1 16 CYS HA 1 17 ASP H 2.500 . 2.500 2.269 2.101 2.520 0.020 24 0 "[ . 1 . 2 . 3 . 4 ]" 1
218 1 16 CYS QB 1 17 ASP H 4.000 . 4.000 3.821 3.292 4.009 0.009 41 0 "[ . 1 . 2 . 3 . 4 ]" 1
219 1 16 CYS QB 1 29 CYS H 6.000 . 6.000 5.015 4.661 6.757 0.757 37 1 "[ . 1 . 2 . 3 . + 4 ]" 1
220 1 16 CYS QB 1 29 CYS QB 5.000 . 5.000 2.539 2.021 4.144 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
221 1 16 CYS HA 1 33 THR MG 6.000 . 6.000 6.095 6.027 6.177 0.177 24 0 "[ . 1 . 2 . 3 . 4 ]" 1
222 1 16 CYS H 1 34 CYS H 6.000 . 6.000 6.495 6.281 6.947 0.947 41 16 "[ * . * * . * *2-* .* * 3** .*** 4+* ]" 1
223 1 16 CYS H 1 34 CYS HA 5.000 . 5.000 4.522 4.271 4.862 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
224 1 16 CYS H 1 34 CYS QB 5.500 . 5.500 4.859 4.618 5.110 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
225 1 16 CYS QB 1 34 CYS QB 6.000 . 6.000 5.092 3.389 5.741 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
226 1 16 CYS H 1 35 LYS HA 5.000 . 5.000 3.655 3.205 4.443 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
227 1 16 CYS H 1 36 LEU HG 6.000 . 6.000 5.691 5.247 6.044 0.044 19 0 "[ . 1 . 2 . 3 . 4 ]" 1
228 1 16 CYS H 1 36 LEU QD 6.000 . 6.000 5.513 4.856 5.899 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
229 1 16 CYS HA 1 36 LEU QD 6.000 . 6.000 4.751 4.451 5.197 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
230 1 16 CYS QB 1 36 LEU QD 6.000 . 6.000 3.514 3.107 4.566 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
231 1 16 CYS HA 1 43 ASN QD 5.000 . 5.000 3.444 1.922 4.453 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
232 1 16 CYS QB 1 43 ASN QD 5.000 . 5.000 4.404 3.054 5.051 0.051 31 0 "[ . 1 . 2 . 3 . 4 ]" 1
233 1 16 CYS HA 1 44 TYR QD 6.000 . 6.000 5.074 4.252 6.065 0.065 35 0 "[ . 1 . 2 . 3 . 4 ]" 1
234 1 16 CYS HA 1 44 TYR QE 6.000 . 6.000 5.719 3.264 6.032 0.032 35 0 "[ . 1 . 2 . 3 . 4 ]" 1
235 1 17 ASP H 1 18 CYS H 5.000 . 5.000 4.422 4.337 4.596 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
236 1 17 ASP H 1 18 CYS HA 6.000 . 6.000 4.956 4.675 5.587 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
237 1 17 ASP HA 1 18 CYS H 3.000 . 3.000 2.299 2.105 2.372 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
238 1 17 ASP QB 1 18 CYS H 5.000 . 5.000 3.271 2.774 3.481 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
239 1 17 ASP HA 1 31 ALA HA 5.000 . 5.000 2.838 2.157 5.062 0.062 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
240 1 17 ASP H 1 36 LEU QD 6.000 . 6.000 6.357 5.893 6.810 0.810 35 14 "[ *.* -* * * 2 *. *3 **+* 4* *]" 1
241 1 17 ASP H 1 43 ASN QD 6.000 . 6.000 4.725 2.168 6.004 0.004 4 0 "[ . 1 . 2 . 3 . 4 ]" 1
242 1 17 ASP H 1 44 TYR QE 6.000 . 6.000 6.669 3.786 7.025 1.025 15 35 "[** ******1 ***+*** ****-************ **4 *]" 1
243 1 18 CYS H 1 19 GLY H 4.500 . 4.500 4.337 4.046 4.520 0.020 9 0 "[ . 1 . 2 . 3 . 4 ]" 1
244 1 18 CYS H 1 19 GLY QA 5.000 . 5.000 4.753 4.373 5.007 0.007 5 0 "[ . 1 . 2 . 3 . 4 ]" 1
245 1 18 CYS HA 1 19 GLY H 4.000 . 4.000 2.257 2.163 2.644 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
246 1 18 CYS QB 1 19 GLY H 5.000 . 5.000 2.929 2.140 3.420 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
247 1 18 CYS HA 1 19 GLY QA 5.000 . 5.000 3.924 3.906 3.991 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
248 1 18 CYS HA 1 20 SER H 6.000 . 6.000 4.336 3.926 4.833 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
249 1 18 CYS QB 1 24 CYS QB 5.000 . 5.000 2.444 1.961 3.540 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
250 1 18 CYS HA 1 25 GLN H 5.000 . 5.000 4.771 3.784 5.027 0.027 33 0 "[ . 1 . 2 . 3 . 4 ]" 1
251 1 18 CYS QB 1 25 GLN H 5.000 . 5.000 3.480 2.254 4.622 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
252 1 18 CYS HA 1 26 ASP H 6.000 . 6.000 6.013 5.542 6.048 0.048 14 0 "[ . 1 . 2 . 3 . 4 ]" 1
253 1 18 CYS HA 1 26 ASP QB 6.000 . 6.000 4.561 4.000 5.213 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
254 1 18 CYS QB 1 26 ASP H 5.000 . 5.000 4.657 3.308 5.050 0.050 24 0 "[ . 1 . 2 . 3 . 4 ]" 1
255 1 18 CYS QB 1 26 ASP QB 5.000 . 5.000 4.174 2.722 4.473 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
256 1 18 CYS QB 1 29 CYS QB 6.000 . 6.000 5.023 3.911 6.013 0.013 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
257 1 18 CYS H 1 31 ALA HA 6.000 . 6.000 2.672 1.977 4.686 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
258 1 18 CYS H 1 31 ALA MB 5.000 . 5.000 2.110 1.712 3.593 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
259 1 18 CYS QB 1 31 ALA MB 6.000 . 6.000 1.908 1.690 3.585 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
260 1 19 GLY H 1 20 SER H 5.000 . 5.000 2.933 2.665 3.237 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
261 1 19 GLY QA 1 20 SER H 4.000 . 4.000 2.643 2.477 2.755 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
262 1 19 GLY QA 1 23 ASN QB 5.500 . 5.500 4.623 3.868 5.502 0.002 14 0 "[ . 1 . 2 . 3 . 4 ]" 1
263 1 20 SER H 1 21 PRO QD 5.000 . 5.000 4.145 3.985 4.334 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
264 1 20 SER HA 1 21 PRO QD 4.000 . 4.000 1.965 1.833 2.072 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
265 1 20 SER QB 1 21 PRO QG 6.000 . 6.000 4.602 3.671 5.266 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
266 1 20 SER QB 1 21 PRO QD 5.000 . 5.000 3.087 2.352 3.611 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
267 1 20 SER H 1 22 ALA H 5.000 . 5.000 4.923 4.685 5.008 0.008 19 0 "[ . 1 . 2 . 3 . 4 ]" 1
268 1 20 SER H 1 22 ALA MB 6.000 . 6.000 5.800 5.554 5.986 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
269 1 20 SER QB 1 22 ALA H 5.000 . 5.000 2.764 2.365 3.649 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
270 1 20 SER QB 1 22 ALA MB 6.000 . 6.000 3.187 2.832 3.891 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
271 1 20 SER H 1 23 ASN H 5.000 . 5.000 3.854 3.473 4.162 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
272 1 20 SER H 1 23 ASN HA 6.000 . 6.000 5.563 5.003 6.034 0.034 31 0 "[ . 1 . 2 . 3 . 4 ]" 1
273 1 20 SER H 1 23 ASN QB 4.500 . 4.500 3.290 2.653 4.509 0.009 14 0 "[ . 1 . 2 . 3 . 4 ]" 1
274 1 20 SER H 1 23 ASN QD 6.000 . 6.000 5.258 1.878 6.003 0.003 21 0 "[ . 1 . 2 . 3 . 4 ]" 1
275 1 20 SER QB 1 23 ASN H 5.000 . 5.000 2.256 1.990 2.668 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
276 1 20 SER QB 1 23 ASN QB 5.000 . 5.000 2.215 1.944 3.798 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
277 1 20 SER QB 1 23 ASN QD 6.000 . 6.000 3.354 1.948 4.893 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
278 1 20 SER H 1 24 CYS H 5.000 . 5.000 4.401 2.948 4.792 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
279 1 20 SER H 1 24 CYS QB 6.000 . 6.000 4.429 3.979 5.105 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
280 1 20 SER QB 1 24 CYS H 5.000 . 5.000 4.246 3.253 4.623 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
281 1 20 SER H 1 31 ALA MB 6.000 . 6.000 4.080 3.785 4.460 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
282 1 21 PRO HA 1 22 ALA H 4.000 . 4.000 3.506 3.450 3.534 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
283 1 21 PRO QB 1 22 ALA H 4.000 . 4.000 2.924 2.632 3.442 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
284 1 21 PRO QB 1 22 ALA HA 5.000 . 5.000 3.943 3.901 4.061 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
285 1 21 PRO QB 1 22 ALA MB 5.000 . 5.000 3.787 3.555 4.216 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
286 1 21 PRO QG 1 22 ALA MB 5.000 . 5.000 4.499 3.447 4.963 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
287 1 21 PRO QG 1 22 ALA H 5.000 . 5.000 3.579 2.556 3.987 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
288 1 21 PRO QD 1 22 ALA H 4.000 . 4.000 3.001 2.770 3.121 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
289 1 21 PRO QD 1 23 ASN H 5.000 . 5.000 4.377 4.127 4.570 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
290 1 21 PRO HA 1 24 CYS H 4.500 . 4.500 3.815 3.545 4.093 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
291 1 21 PRO HA 1 24 CYS QB 4.500 . 4.500 2.519 2.081 3.369 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
292 1 21 PRO HA 1 25 GLN H 6.000 . 6.000 6.810 6.497 7.020 1.020 36 42 "[**************-** *****************+*******]" 1
293 1 21 PRO HA 1 30 ASN HA 5.500 . 5.500 5.328 4.871 5.506 0.006 33 0 "[ . 1 . 2 . 3 . 4 ]" 1
294 1 21 PRO HA 1 30 ASN QD 6.000 . 6.000 5.796 4.764 6.014 0.014 24 0 "[ . 1 . 2 . 3 . 4 ]" 1
295 1 21 PRO HA 1 31 ALA H 5.000 . 5.000 3.625 3.212 3.976 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
296 1 21 PRO HA 1 31 ALA MB 5.000 . 5.000 2.342 1.986 2.990 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
297 1 21 PRO QB 1 31 ALA MB 5.000 . 5.000 3.193 2.335 4.080 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
298 1 21 PRO QG 1 31 ALA H 6.000 . 6.000 5.223 4.604 6.023 0.023 3 0 "[ . 1 . 2 . 3 . 4 ]" 1
299 1 21 PRO QG 1 31 ALA MB 5.000 . 5.000 2.862 1.969 4.133 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
300 1 21 PRO QD 1 31 ALA HA 6.000 . 6.000 5.434 4.996 6.009 0.009 10 0 "[ . 1 . 2 . 3 . 4 ]" 1
301 1 21 PRO QD 1 31 ALA MB 5.000 . 5.000 2.753 2.416 3.133 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
302 1 21 PRO QB 1 32 ALA H 5.000 . 5.000 3.304 2.618 3.931 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
303 1 21 PRO QB 1 32 ALA HA 6.000 . 6.000 3.725 2.418 4.505 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
304 1 21 PRO QB 1 32 ALA MB 6.000 . 6.000 2.876 2.348 3.192 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
305 1 21 PRO QG 1 32 ALA H 5.000 . 5.000 3.921 3.380 4.935 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
306 1 21 PRO QG 1 32 ALA HA 5.000 . 5.000 3.526 2.871 4.459 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
307 1 21 PRO QG 1 32 ALA MB 5.000 . 5.000 3.635 3.064 4.442 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
308 1 21 PRO QD 1 32 ALA H 5.000 . 5.000 4.993 4.729 5.038 0.038 32 0 "[ . 1 . 2 . 3 . 4 ]" 1
309 1 21 PRO QD 1 32 ALA MB 6.000 . 6.000 5.030 4.595 5.296 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
310 1 22 ALA H 1 23 ASN H 3.000 . 3.000 2.308 2.281 2.347 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
311 1 22 ALA H 1 23 ASN HA 5.000 . 5.000 5.015 4.999 5.043 0.043 18 0 "[ . 1 . 2 . 3 . 4 ]" 1
312 1 22 ALA H 1 23 ASN QB 5.000 . 5.000 4.342 4.165 5.009 0.009 14 0 "[ . 1 . 2 . 3 . 4 ]" 1
313 1 22 ALA HA 1 23 ASN H 4.000 . 4.000 3.479 3.442 3.521 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
314 1 22 ALA HA 1 23 ASN HA 5.000 . 5.000 4.572 4.557 4.612 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
315 1 22 ALA MB 1 23 ASN H 4.000 . 4.000 2.808 2.639 2.971 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
316 1 22 ALA MB 1 23 ASN HA 5.000 . 5.000 4.011 3.899 4.042 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
317 1 22 ALA MB 1 23 ASN QB 5.000 . 5.000 3.889 3.428 4.304 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
318 1 22 ALA MB 1 23 ASN QD 5.000 . 5.000 3.895 2.188 5.000 . 34 0 "[ . 1 . 2 . 3 . 4 ]" 1
319 1 22 ALA H 1 24 CYS H 4.500 . 4.500 3.853 3.740 3.951 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
320 1 22 ALA HA 1 24 CYS H 5.000 . 5.000 3.845 3.739 5.030 0.030 27 0 "[ . 1 . 2 . 3 . 4 ]" 1
321 1 22 ALA MB 1 24 CYS H 5.000 . 5.000 4.360 4.300 4.701 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
322 1 22 ALA H 1 31 ALA MB 6.000 . 6.000 4.935 4.647 5.383 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
323 1 23 ASN H 1 23 ASN QD 5.000 . 5.000 3.785 1.990 4.788 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
324 1 23 ASN H 1 24 CYS H 3.000 . 3.000 2.507 2.199 2.586 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
325 1 23 ASN H 1 24 CYS QB 4.000 . 4.000 4.035 3.981 4.068 0.068 14 0 "[ . 1 . 2 . 3 . 4 ]" 1
326 1 23 ASN HA 1 24 CYS H 4.000 . 4.000 3.041 3.005 3.528 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
327 1 23 ASN QB 1 24 CYS H 5.000 . 5.000 3.643 2.401 3.970 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
328 1 24 CYS H 1 25 GLN H 4.000 . 4.000 4.057 3.793 4.113 0.113 33 0 "[ . 1 . 2 . 3 . 4 ]" 1
329 1 24 CYS HA 1 25 GLN H 4.000 . 4.000 2.244 2.154 2.277 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
330 1 24 CYS HA 1 25 GLN QB 5.000 . 5.000 4.504 4.166 4.657 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
331 1 24 CYS HA 1 25 GLN QG 5.000 . 5.000 4.152 3.730 5.028 0.028 27 0 "[ . 1 . 2 . 3 . 4 ]" 1
332 1 24 CYS QB 1 25 GLN H 5.000 . 5.000 3.995 3.739 4.023 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
333 1 24 CYS QB 1 26 ASP H 5.000 . 5.000 3.765 2.938 5.024 0.024 33 0 "[ . 1 . 2 . 3 . 4 ]" 1
334 1 24 CYS H 1 31 ALA MB 5.000 . 5.000 4.716 4.296 5.023 0.023 28 0 "[ . 1 . 2 . 3 . 4 ]" 1
335 1 24 CYS HA 1 31 ALA H 5.000 . 5.000 5.035 5.002 5.056 0.056 27 0 "[ . 1 . 2 . 3 . 4 ]" 1
336 1 24 CYS QB 1 31 ALA H 6.000 . 6.000 3.259 2.817 4.103 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
337 1 24 CYS QB 1 31 ALA MB 4.000 . 4.000 2.829 2.112 4.008 0.008 27 0 "[ . 1 . 2 . 3 . 4 ]" 1
338 1 24 CYS QB 1 32 ALA MB 6.000 . 6.000 5.164 4.798 5.422 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
339 1 25 GLN H 1 25 GLN QG 5.000 . 5.000 2.381 1.983 3.587 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
340 1 25 GLN H 1 26 ASP H 4.000 . 4.000 3.353 3.016 3.560 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
341 1 25 GLN HA 1 26 ASP H 4.000 . 4.000 2.701 2.432 2.851 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
342 1 25 GLN QB 1 26 ASP H 5.000 . 5.000 4.006 3.857 4.057 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
343 1 25 GLN QG 1 26 ASP H 5.000 . 5.000 4.090 3.722 4.538 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
344 1 25 GLN QB 1 27 ARG H 6.000 . 6.000 5.581 4.804 5.924 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
345 1 25 GLN QG 1 27 ARG H 6.000 . 6.000 5.951 5.784 6.033 0.033 27 0 "[ . 1 . 2 . 3 . 4 ]" 1
346 1 25 GLN H 1 31 ALA MB 6.000 . 6.000 5.876 5.471 6.158 0.158 32 0 "[ . 1 . 2 . 3 . 4 ]" 1
347 1 26 ASP H 1 27 ARG H 4.000 . 4.000 3.710 3.633 3.839 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
348 1 26 ASP H 1 27 ARG QB 5.000 . 5.000 5.030 4.973 5.133 0.133 33 0 "[ . 1 . 2 . 3 . 4 ]" 1
349 1 26 ASP HA 1 27 ARG H 3.000 . 3.000 2.203 2.157 2.211 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
350 1 26 ASP HA 1 27 ARG HA 5.000 . 5.000 4.463 4.401 4.475 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
351 1 26 ASP HA 1 27 ARG QB 6.000 . 6.000 4.242 3.956 4.537 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
352 1 26 ASP HA 1 27 ARG QG 6.000 . 6.000 5.097 3.735 5.941 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
353 1 26 ASP QB 1 27 ARG H 5.000 . 5.000 3.768 3.675 3.982 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
354 1 26 ASP HA 1 28 CYS H 6.000 . 6.000 3.442 3.277 5.127 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
355 1 26 ASP QB 1 28 CYS H 5.000 . 5.000 3.379 3.028 4.561 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
356 1 26 ASP QB 1 28 CYS HA 6.000 . 6.000 5.335 5.005 5.791 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
357 1 26 ASP QB 1 29 CYS QB 5.000 . 5.000 2.021 1.795 3.341 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
358 1 26 ASP H 1 37 THR MG 6.000 . 6.000 5.676 4.989 6.013 0.013 19 0 "[ . 1 . 2 . 3 . 4 ]" 1
359 1 27 ARG H 1 27 ARG QG 5.000 . 5.000 3.328 2.007 4.051 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
360 1 27 ARG H 1 28 CYS H 4.000 . 4.000 2.728 2.616 4.138 0.138 18 0 "[ . 1 . 2 . 3 . 4 ]" 1
361 1 27 ARG HA 1 28 CYS H 4.000 . 4.000 3.440 3.388 3.545 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
362 1 27 ARG QB 1 28 CYS H 5.000 . 5.000 3.203 1.885 3.764 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
363 1 27 ARG QG 1 28 CYS H 5.000 . 5.000 3.492 2.132 4.583 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
364 1 27 ARG HA 1 29 CYS H 5.000 . 5.000 4.006 3.494 4.894 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
365 1 28 CYS H 1 29 CYS H 4.000 . 4.000 2.324 2.123 2.790 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
366 1 28 CYS H 1 29 CYS QB 5.000 . 5.000 4.174 3.609 4.334 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
367 1 28 CYS HA 1 29 CYS H 4.000 . 4.000 3.266 2.859 3.488 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
368 1 28 CYS QB 1 29 CYS H 5.000 . 5.000 3.369 2.883 3.830 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
369 1 28 CYS H 1 36 LEU QD 6.000 . 6.000 5.564 4.300 6.024 0.024 10 0 "[ . 1 . 2 . 3 . 4 ]" 1
370 1 28 CYS QB 1 36 LEU QD 5.000 . 5.000 3.110 2.560 3.946 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
371 1 28 CYS H 1 37 THR MG 6.000 . 6.000 4.240 3.592 4.956 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
372 1 28 CYS HA 1 37 THR H 6.000 . 6.000 3.564 3.259 4.390 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
373 1 28 CYS HA 1 37 THR MG 5.000 . 5.000 3.295 2.550 4.333 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
374 1 28 CYS H 1 43 ASN QB 6.000 . 6.000 5.003 3.434 5.917 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
375 1 28 CYS QB 1 43 ASN HA 4.000 . 4.000 3.350 1.806 4.005 0.005 5 0 "[ . 1 . 2 . 3 . 4 ]" 1
376 1 28 CYS QB 1 43 ASN QB 5.000 . 5.000 2.560 1.829 3.432 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
377 1 28 CYS QB 1 51 CYS HA 5.000 . 5.000 3.960 2.350 4.714 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
378 1 28 CYS QB 1 51 CYS QB 6.000 . 6.000 3.442 1.948 4.151 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
379 1 29 CYS H 1 30 ASN H 5.000 . 5.000 4.270 4.059 4.523 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
380 1 29 CYS HA 1 30 ASN H 4.000 . 4.000 2.168 2.134 2.258 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
381 1 29 CYS HA 1 30 ASN QB 5.000 . 5.000 4.074 4.003 4.471 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
382 1 29 CYS QB 1 30 ASN H 5.000 . 5.000 3.213 2.947 3.667 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
383 1 29 CYS QB 1 31 ALA H 6.000 . 6.000 5.239 4.935 6.011 0.011 10 0 "[ . 1 . 2 . 3 . 4 ]" 1
384 1 29 CYS H 1 36 LEU QD 6.000 . 6.000 5.121 4.462 5.780 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
385 1 29 CYS HA 1 36 LEU QB 5.000 . 5.000 4.549 3.706 4.886 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
386 1 29 CYS HA 1 36 LEU HG 5.000 . 5.000 4.645 4.218 5.010 0.010 4 0 "[ . 1 . 2 . 3 . 4 ]" 1
387 1 29 CYS HA 1 36 LEU QD 6.000 . 6.000 3.936 3.389 4.493 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
388 1 29 CYS QB 1 36 LEU QD 6.000 . 6.000 4.468 2.964 5.179 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
389 1 29 CYS H 1 37 THR MG 6.000 . 6.000 2.882 1.957 3.687 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
390 1 29 CYS HA 1 37 THR MG 4.000 . 4.000 2.771 2.242 3.614 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
391 1 29 CYS H 1 43 ASN QD 6.000 . 6.000 5.449 3.364 6.016 0.016 11 0 "[ . 1 . 2 . 3 . 4 ]" 1
392 1 30 ASN H 1 30 ASN QD 5.000 . 5.000 4.414 4.070 4.625 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
393 1 30 ASN H 1 31 ALA H 5.000 . 5.000 4.419 4.325 4.470 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
394 1 30 ASN HA 1 31 ALA H 4.000 . 4.000 2.148 2.128 2.169 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
395 1 30 ASN HA 1 31 ALA HA 5.000 . 5.000 4.359 4.321 4.399 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
396 1 30 ASN HA 1 31 ALA MB 5.000 . 5.000 3.924 3.880 3.974 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
397 1 30 ASN QB 1 31 ALA H 5.000 . 5.000 3.657 2.959 3.845 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
398 1 30 ASN QD 1 31 ALA H 6.000 . 6.000 4.183 3.238 4.576 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
399 1 30 ASN QD 1 31 ALA MB 6.000 . 6.000 4.791 3.902 5.232 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
400 1 30 ASN HA 1 32 ALA H 4.000 . 4.000 4.003 3.854 4.043 0.043 39 0 "[ . 1 . 2 . 3 . 4 ]" 1
401 1 30 ASN HA 1 32 ALA MB 6.000 . 6.000 4.873 4.599 4.989 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
402 1 30 ASN QD 1 32 ALA H 5.000 . 5.000 2.998 2.136 3.468 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
403 1 30 ASN QD 1 32 ALA MB 5.000 . 5.000 1.874 1.758 2.291 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
404 1 30 ASN H 1 33 THR H 5.000 . 5.000 4.915 4.778 5.011 0.011 18 0 "[ . 1 . 2 . 3 . 4 ]" 1
405 1 30 ASN QB 1 33 THR H 5.000 . 5.000 3.361 2.936 3.800 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
406 1 30 ASN QB 1 33 THR MG 6.000 . 6.000 1.952 1.757 3.512 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
407 1 30 ASN QD 1 33 THR MG 5.000 . 5.000 2.022 1.844 2.897 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
408 1 30 ASN QB 1 34 CYS H 5.000 . 5.000 4.021 3.608 4.884 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
409 1 30 ASN QD 1 34 CYS QB 6.000 . 6.000 6.009 5.834 6.054 0.054 42 0 "[ . 1 . 2 . 3 . 4 ]" 1
410 1 30 ASN H 1 35 LYS H 4.000 . 4.000 3.262 3.044 3.547 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
411 1 30 ASN QB 1 35 LYS H 5.000 . 5.000 3.707 3.390 5.059 0.059 10 0 "[ . 1 . 2 . 3 . 4 ]" 1
412 1 30 ASN H 1 36 LEU H 5.000 . 5.000 5.005 4.860 5.081 0.081 24 0 "[ . 1 . 2 . 3 . 4 ]" 1
413 1 30 ASN H 1 36 LEU QB 6.000 . 6.000 5.405 5.143 5.559 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
414 1 30 ASN H 1 36 LEU QD 6.000 . 6.000 5.270 4.855 5.573 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
415 1 30 ASN H 1 37 THR H 4.000 . 4.000 3.690 3.090 4.012 0.012 4 0 "[ . 1 . 2 . 3 . 4 ]" 1
416 1 30 ASN H 1 37 THR MG 5.000 . 5.000 2.426 2.022 3.070 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
417 1 30 ASN HA 1 37 THR MG 4.000 . 4.000 3.129 2.889 3.353 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
418 1 30 ASN QB 1 37 THR H 6.000 . 6.000 4.318 3.672 5.333 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
419 1 30 ASN QB 1 37 THR HA 4.000 . 4.000 3.358 2.471 4.019 0.019 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
420 1 30 ASN QB 1 37 THR MG 5.000 . 5.000 1.844 1.740 2.321 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
421 1 30 ASN QD 1 37 THR HA 5.000 . 5.000 4.753 3.805 5.018 0.018 37 0 "[ . 1 . 2 . 3 . 4 ]" 1
422 1 30 ASN QD 1 37 THR MG 6.000 . 6.000 3.972 3.469 4.709 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
423 1 31 ALA H 1 32 ALA H 3.000 . 3.000 2.531 2.474 2.674 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
424 1 31 ALA H 1 32 ALA MB 5.000 . 5.000 4.078 4.010 4.244 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
425 1 31 ALA HA 1 32 ALA H 4.000 . 4.000 3.530 3.510 3.541 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
426 1 31 ALA MB 1 32 ALA H 4.000 . 4.000 2.609 2.438 2.796 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
427 1 31 ALA H 1 33 THR H 5.000 . 5.000 3.986 3.887 4.256 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
428 1 31 ALA MB 1 33 THR H 6.000 . 6.000 4.177 4.140 4.275 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
429 1 31 ALA H 1 34 CYS H 5.000 . 5.000 4.349 4.195 4.507 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
430 1 31 ALA HA 1 34 CYS H 5.000 . 5.000 2.863 2.688 2.962 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
431 1 31 ALA MB 1 34 CYS H 6.000 . 6.000 4.173 4.052 4.248 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
432 1 31 ALA H 1 37 THR MG 5.000 . 5.000 4.857 4.605 5.012 0.012 13 0 "[ . 1 . 2 . 3 . 4 ]" 1
433 1 32 ALA H 1 33 THR H 4.000 . 4.000 2.773 2.707 2.832 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
434 1 32 ALA H 1 33 THR MG 5.000 . 5.000 4.203 3.969 4.410 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
435 1 32 ALA HA 1 33 THR H 4.000 . 4.000 3.434 3.386 3.467 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
436 1 32 ALA HA 1 33 THR MG 6.000 . 6.000 5.192 5.080 5.310 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
437 1 32 ALA MB 1 33 THR H 4.000 . 4.000 3.050 2.862 3.178 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
438 1 32 ALA MB 1 33 THR HA 5.000 . 5.000 4.047 4.007 4.112 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
439 1 32 ALA MB 1 33 THR MG 4.000 . 4.000 4.015 3.881 4.053 0.053 41 0 "[ . 1 . 2 . 3 . 4 ]" 1
440 1 32 ALA H 1 34 CYS H 4.000 . 4.000 3.946 3.871 4.012 0.012 12 0 "[ . 1 . 2 . 3 . 4 ]" 1
441 1 32 ALA HA 1 34 CYS H 5.000 . 5.000 4.545 4.417 4.669 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
442 1 32 ALA MB 1 34 CYS H 5.000 . 5.000 4.519 4.396 4.620 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
443 1 33 THR H 1 34 CYS H 3.000 . 3.000 1.847 1.833 1.870 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
444 1 33 THR H 1 34 CYS HA 4.000 . 4.000 4.084 4.061 4.105 0.105 41 0 "[ . 1 . 2 . 3 . 4 ]" 1
445 1 33 THR HA 1 34 CYS H 4.000 . 4.000 3.441 3.403 3.470 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
446 1 33 THR HB 1 34 CYS H 5.000 . 5.000 4.023 3.855 4.115 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
447 1 33 THR MG 1 34 CYS H 5.000 . 5.000 2.349 2.120 2.591 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
448 1 33 THR MG 1 34 CYS HA 6.000 . 6.000 3.699 3.548 3.836 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
449 1 33 THR HA 1 35 LYS H 5.000 . 5.000 4.784 4.531 5.018 0.018 19 0 "[ . 1 . 2 . 3 . 4 ]" 1
450 1 33 THR HA 1 35 LYS QB 6.000 . 6.000 4.932 4.485 5.358 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
451 1 33 THR HA 1 35 LYS QG 6.000 . 6.000 4.854 4.361 5.993 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
452 1 33 THR HB 1 35 LYS H 5.000 . 5.000 4.535 4.358 4.801 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
453 1 33 THR HB 1 35 LYS QB 5.000 . 5.000 4.782 4.382 5.057 0.057 3 0 "[ . 1 . 2 . 3 . 4 ]" 1
454 1 33 THR HB 1 35 LYS QG 5.000 . 5.000 4.562 3.519 5.021 0.021 35 0 "[ . 1 . 2 . 3 . 4 ]" 1
455 1 33 THR MG 1 35 LYS H 5.000 . 5.000 1.869 1.802 2.090 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
456 1 34 CYS H 1 35 LYS H 4.000 . 4.000 2.587 2.468 2.771 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
457 1 34 CYS H 1 35 LYS QB 6.000 . 6.000 4.649 4.438 4.912 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
458 1 34 CYS HA 1 35 LYS H 4.000 . 4.000 2.733 2.584 2.833 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
459 1 34 CYS QB 1 35 LYS H 6.000 . 6.000 3.862 3.806 3.903 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
460 1 35 LYS H 1 35 LYS QG 5.000 . 5.000 3.260 2.773 3.867 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
461 1 35 LYS H 1 35 LYS QD 5.000 . 5.000 4.701 4.077 5.034 0.034 14 0 "[ . 1 . 2 . 3 . 4 ]" 1
462 1 35 LYS H 1 35 LYS QE 6.000 . 6.000 5.381 4.355 5.996 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
463 1 35 LYS H 1 36 LEU H 5.000 . 5.000 4.361 4.309 4.385 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
464 1 35 LYS H 1 36 LEU QD 6.000 . 6.000 5.867 5.345 6.033 0.033 34 0 "[ . 1 . 2 . 3 . 4 ]" 1
465 1 35 LYS HA 1 36 LEU H 3.000 . 3.000 2.474 2.306 2.668 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
466 1 35 LYS QB 1 36 LEU H 4.000 . 4.000 2.570 2.106 3.248 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
467 1 35 LYS QB 1 36 LEU QD 6.000 . 6.000 4.174 2.880 4.967 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
468 1 35 LYS QG 1 36 LEU H 5.000 . 5.000 3.166 1.932 4.156 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
469 1 35 LYS QE 1 36 LEU H 5.000 . 5.000 4.328 2.567 5.007 0.007 5 0 "[ . 1 . 2 . 3 . 4 ]" 1
470 1 35 LYS H 1 37 THR MG 6.000 . 6.000 4.913 4.322 5.586 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
471 1 36 LEU H 1 36 LEU HG 5.000 . 5.000 2.494 2.042 3.086 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
472 1 36 LEU H 1 36 LEU QD 5.000 . 5.000 2.793 1.928 3.232 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
473 1 36 LEU H 1 37 THR H 5.000 . 5.000 4.591 4.484 4.645 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
474 1 36 LEU QB 1 37 THR H 5.000 . 5.000 2.990 2.647 3.381 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
475 1 36 LEU HG 1 37 THR H 6.000 . 6.000 4.589 4.123 4.832 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
476 1 36 LEU QD 1 37 THR H 5.000 . 5.000 3.446 2.736 4.179 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
477 1 36 LEU QD 1 37 THR HA 6.000 . 6.000 5.343 4.955 5.627 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
478 1 36 LEU QD 1 37 THR MG 6.000 . 6.000 4.688 4.051 5.486 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
479 1 36 LEU QD 1 39 GLY H 6.000 . 6.000 5.735 5.345 5.992 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
480 1 36 LEU QB 1 40 SER H 5.000 . 5.000 3.980 3.549 4.467 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
481 1 36 LEU QB 1 40 SER QB 5.000 . 5.000 2.873 1.899 4.037 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
482 1 36 LEU QD 1 40 SER H 6.000 . 6.000 4.376 3.936 4.848 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
483 1 36 LEU QD 1 40 SER QB 5.000 . 5.000 2.468 1.785 3.125 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
484 1 36 LEU QD 1 41 GLN H 6.000 . 6.000 3.306 3.010 3.818 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
485 1 36 LEU QD 1 41 GLN HA 5.000 . 5.000 2.242 1.903 2.869 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
486 1 36 LEU QB 1 42 CYS H 5.000 . 5.000 4.645 3.641 5.014 0.014 39 0 "[ . 1 . 2 . 3 . 4 ]" 1
487 1 36 LEU QB 1 42 CYS HA 6.000 . 6.000 5.330 4.846 5.747 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
488 1 36 LEU HG 1 42 CYS HA 5.000 . 5.000 4.984 4.536 5.080 0.080 19 0 "[ . 1 . 2 . 3 . 4 ]" 1
489 1 36 LEU QD 1 42 CYS H 5.000 . 5.000 2.632 1.828 2.975 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
490 1 36 LEU QD 1 42 CYS HA 4.000 . 4.000 2.562 2.258 2.900 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
491 1 36 LEU QD 1 42 CYS QB 5.000 . 5.000 3.769 3.529 3.932 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
492 1 36 LEU HG 1 43 ASN QB 5.000 . 5.000 3.622 2.457 4.435 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
493 1 36 LEU QD 1 43 ASN H 5.000 . 5.000 2.817 1.833 3.836 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
494 1 36 LEU QD 1 43 ASN HA 5.000 . 5.000 3.640 3.061 4.318 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
495 1 36 LEU QD 1 43 ASN QB 4.000 . 4.000 2.052 1.661 2.976 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
496 1 36 LEU QD 1 43 ASN QD 6.000 . 6.000 3.798 2.354 4.628 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
497 1 36 LEU QD 1 44 TYR H 6.000 . 6.000 3.938 3.575 4.633 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
498 1 36 LEU QD 1 48 CYS QB 6.000 . 6.000 4.918 4.468 5.261 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
499 1 36 LEU QD 1 51 CYS QB 6.000 . 6.000 4.408 3.723 5.212 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
500 1 36 LEU QD 1 53 PHE QD 6.000 . 6.000 4.599 4.020 5.258 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
501 1 36 LEU QD 1 53 PHE QE 6.000 . 6.000 3.514 2.929 4.177 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
502 1 37 THR HA 1 38 PRO QB 6.000 . 6.000 4.813 4.690 4.932 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
503 1 37 THR HA 1 38 PRO QG 5.000 . 5.000 4.030 3.885 4.174 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
504 1 37 THR HA 1 38 PRO QD 3.000 . 3.000 2.151 1.987 2.287 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
505 1 37 THR HB 1 38 PRO QB 6.000 . 6.000 4.545 4.122 4.877 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
506 1 37 THR HB 1 38 PRO QG 6.000 . 6.000 3.616 3.095 4.210 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
507 1 37 THR HB 1 38 PRO QD 5.000 . 5.000 1.949 1.865 2.179 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
508 1 37 THR MG 1 38 PRO QG 6.000 . 6.000 4.525 3.609 5.110 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
509 1 37 THR MG 1 38 PRO QD 5.000 . 5.000 2.986 2.154 3.445 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
510 1 37 THR MG 1 40 SER H 6.000 . 6.000 5.388 4.888 6.027 0.027 41 0 "[ . 1 . 2 . 3 . 4 ]" 1
511 1 38 PRO HA 1 39 GLY H 2.200 . 2.200 2.159 2.152 2.166 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
512 1 38 PRO QB 1 39 GLY H 4.000 . 4.000 3.511 3.387 3.531 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
513 1 38 PRO QG 1 39 GLY H 5.000 . 5.000 4.808 4.732 4.909 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
514 1 38 PRO QD 1 39 GLY H 6.000 . 6.000 4.882 4.813 4.953 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
515 1 39 GLY H 1 40 SER H 4.000 . 4.000 2.550 2.132 2.924 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
516 1 39 GLY H 1 40 SER HA 5.000 . 5.000 4.909 4.713 5.030 0.030 6 0 "[ . 1 . 2 . 3 . 4 ]" 1
517 1 39 GLY QA 1 40 SER H 4.000 . 4.000 2.826 2.710 2.911 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
518 1 39 GLY QA 1 52 ARG HE 6.000 . 6.000 5.072 3.625 6.000 0.000 18 0 "[ . 1 . 2 . 3 . 4 ]" 1
519 1 40 SER H 1 41 GLN H 5.000 . 5.000 4.413 4.168 4.513 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
520 1 40 SER HA 1 41 GLN H 4.000 . 4.000 2.169 2.142 2.246 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
521 1 40 SER HA 1 41 GLN QB 6.000 . 6.000 4.195 4.030 4.418 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
522 1 40 SER HA 1 41 GLN QG 5.000 . 5.000 4.244 3.637 4.882 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
523 1 40 SER QB 1 41 GLN H 5.000 . 5.000 3.222 2.860 3.800 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
524 1 40 SER H 1 42 CYS H 6.000 . 6.000 5.884 5.368 6.035 0.035 38 0 "[ . 1 . 2 . 3 . 4 ]" 1
525 1 40 SER QB 1 42 CYS H 5.000 . 5.000 3.503 2.600 4.501 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
526 1 40 SER H 1 51 CYS QB 6.000 . 6.000 5.123 4.184 6.667 0.667 33 2 "[ . - 1 . 2 . 3 + . 4 ]" 1
527 1 40 SER HA 1 51 CYS QB 5.000 . 5.000 2.911 2.007 4.275 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
528 1 40 SER QB 1 51 CYS QB 5.000 . 5.000 2.746 1.940 4.229 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
529 1 40 SER HA 1 52 ARG QG 6.000 . 6.000 3.968 2.493 5.570 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
530 1 40 SER HA 1 52 ARG HE 6.000 . 6.000 4.882 2.489 6.001 0.001 5 0 "[ . 1 . 2 . 3 . 4 ]" 1
531 1 41 GLN H 1 41 GLN QG 5.000 . 5.000 3.228 2.719 3.685 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
532 1 41 GLN H 1 41 GLN QE 5.000 . 5.000 4.720 4.016 5.001 0.001 13 0 "[ . 1 . 2 . 3 . 4 ]" 1
533 1 41 GLN H 1 42 CYS H 4.000 . 4.000 2.086 1.954 2.464 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
534 1 41 GLN HA 1 42 CYS H 5.000 . 5.000 3.385 3.103 3.508 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
535 1 41 GLN QB 1 42 CYS H 5.000 . 5.000 3.099 2.770 3.669 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
536 1 41 GLN QB 1 42 CYS QB 6.000 . 6.000 3.489 3.218 3.794 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
537 1 41 GLN QG 1 42 CYS H 5.000 . 5.000 4.456 4.024 4.952 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
538 1 41 GLN H 1 51 CYS QB 6.000 . 6.000 3.782 3.122 4.782 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
539 1 41 GLN QB 1 51 CYS H 6.000 . 6.000 6.854 6.290 7.029 1.029 18 39 "[***** ***1*******+**********-******* **4***]" 1
540 1 41 GLN H 1 52 ARG H 6.000 . 6.000 4.566 4.156 5.119 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
541 1 41 GLN H 1 52 ARG HA 4.000 . 4.000 2.538 1.978 3.046 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
542 1 41 GLN H 1 52 ARG QB 6.000 . 6.000 4.326 3.556 4.862 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
543 1 41 GLN H 1 52 ARG QG 5.000 . 5.000 3.442 2.352 4.772 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
544 1 41 GLN H 1 52 ARG QD 5.000 . 5.000 4.112 2.299 5.002 0.002 39 0 "[ . 1 . 2 . 3 . 4 ]" 1
545 1 41 GLN HA 1 52 ARG QD 6.000 . 6.000 5.859 4.243 7.002 1.002 5 18 "[*** + ** * *-* * * . 3** * *4 **]" 1
546 1 41 GLN QB 1 52 ARG H 6.000 . 6.000 4.908 4.430 5.228 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
547 1 41 GLN QB 1 52 ARG HA 4.500 . 4.500 2.297 1.919 2.704 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
548 1 41 GLN QB 1 52 ARG QB 6.000 . 6.000 3.864 3.162 4.370 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
549 1 41 GLN QB 1 52 ARG QG 6.000 . 6.000 3.218 1.995 4.906 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
550 1 41 GLN QB 1 52 ARG QD 6.000 . 6.000 3.456 1.983 4.878 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
551 1 41 GLN QG 1 52 ARG HA 5.000 . 5.000 3.952 3.488 4.334 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
552 1 41 GLN QG 1 52 ARG QB 5.000 . 5.000 4.863 4.278 5.010 0.010 19 0 "[ . 1 . 2 . 3 . 4 ]" 1
553 1 41 GLN QG 1 52 ARG QG 6.000 . 6.000 3.917 2.706 5.641 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
554 1 41 GLN QG 1 52 ARG QD 5.000 . 5.000 3.791 2.037 4.997 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
555 1 41 GLN QG 1 52 ARG HE 6.000 . 6.000 3.193 1.992 4.461 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
556 1 41 GLN QE 1 52 ARG HA 6.000 . 6.000 4.789 3.101 6.003 0.003 5 0 "[ . 1 . 2 . 3 . 4 ]" 1
557 1 41 GLN H 1 53 PHE H 5.000 . 5.000 4.046 3.549 4.737 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
558 1 41 GLN HA 1 53 PHE H 6.000 . 6.000 4.890 4.226 5.674 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
559 1 41 GLN HA 1 53 PHE QB 6.000 . 6.000 5.720 5.200 6.466 0.466 33 0 "[ . 1 . 2 . 3 . 4 ]" 1
560 1 41 GLN QB 1 53 PHE H 5.000 . 5.000 2.179 1.831 2.716 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
561 1 41 GLN QB 1 53 PHE QB 6.000 . 6.000 3.144 2.630 3.820 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
562 1 41 GLN QB 1 53 PHE QD 5.000 . 5.000 2.826 2.306 3.423 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
563 1 41 GLN QB 1 53 PHE QE 4.500 . 4.500 3.349 2.602 4.316 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
564 1 41 GLN QG 1 53 PHE H 5.000 . 5.000 3.915 3.395 4.662 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
565 1 41 GLN QG 1 53 PHE QD 5.500 . 5.500 4.113 3.415 4.846 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
566 1 41 GLN QG 1 53 PHE QE 5.000 . 5.000 4.542 3.901 5.008 0.008 6 0 "[ . 1 . 2 . 3 . 4 ]" 1
567 1 41 GLN QE 1 53 PHE H 6.000 . 6.000 4.072 2.608 6.001 0.001 16 0 "[ . 1 . 2 . 3 . 4 ]" 1
568 1 41 GLN QE 1 53 PHE QB 6.000 . 6.000 3.928 1.974 6.001 0.001 19 0 "[ . 1 . 2 . 3 . 4 ]" 1
569 1 41 GLN QE 1 53 PHE QD 5.000 . 5.000 3.464 1.984 5.001 0.001 5 0 "[ . 1 . 2 . 3 . 4 ]" 1
570 1 41 GLN QE 1 53 PHE QE 6.000 . 6.000 4.110 2.004 6.000 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
571 1 42 CYS H 1 43 ASN H 6.000 . 6.000 3.734 2.192 4.475 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
572 1 42 CYS HA 1 43 ASN H 3.500 . 3.500 2.625 2.140 3.564 0.064 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
573 1 42 CYS HA 1 43 ASN QB 6.000 . 6.000 4.197 3.882 4.683 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
574 1 42 CYS QB 1 43 ASN H 4.000 . 4.000 3.163 2.271 3.899 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
575 1 42 CYS HA 1 44 TYR H 4.000 . 4.000 3.519 3.146 3.916 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
576 1 42 CYS HA 1 48 CYS H 5.500 . 5.500 5.620 5.573 5.649 0.149 38 0 "[ . 1 . 2 . 3 . 4 ]" 1
577 1 42 CYS HA 1 48 CYS QB 6.000 . 6.000 3.806 3.209 4.279 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
578 1 42 CYS QB 1 48 CYS QB 6.000 . 6.000 1.987 1.900 2.091 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
579 1 42 CYS H 1 51 CYS H 6.000 . 6.000 5.308 4.946 5.918 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
580 1 42 CYS H 1 51 CYS QB 6.000 . 6.000 4.128 3.548 4.910 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
581 1 42 CYS H 1 52 ARG H 5.000 . 5.000 4.140 3.667 5.004 0.004 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
582 1 42 CYS H 1 52 ARG HA 5.000 . 5.000 2.986 2.297 4.149 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
583 1 42 CYS H 1 52 ARG QB 6.000 . 6.000 4.928 4.219 5.973 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
584 1 42 CYS H 1 53 PHE H . . 5.000 4.022 3.132 5.010 0.010 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
585 1 42 CYS HA 1 53 PHE QD 6.000 . 6.000 3.752 3.494 4.147 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
586 1 42 CYS HA 1 53 PHE QE 5.000 . 5.000 2.630 2.117 3.262 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
587 1 42 CYS QB 1 53 PHE QD 6.000 . 6.000 2.189 1.888 2.659 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
588 1 42 CYS QB 1 53 PHE QE 6.000 . 6.000 2.713 2.326 3.015 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
589 1 42 CYS QB 1 77 SER H 6.000 . 6.000 5.505 5.040 5.798 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
590 1 42 CYS QB 1 77 SER HA 5.000 . 5.000 4.010 3.644 4.363 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
591 1 43 ASN H 1 44 TYR H 3.000 . 3.000 2.252 1.695 3.113 0.113 43 0 "[ . 1 . 2 . 3 . 4 ]" 1
592 1 43 ASN H 1 44 TYR QB 6.000 . 6.000 4.616 4.155 5.439 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
593 1 43 ASN H 1 44 TYR QD 6.000 . 6.000 5.002 3.699 5.897 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
594 1 43 ASN HA 1 44 TYR H 4.000 . 4.000 3.386 3.033 3.497 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
595 1 43 ASN QB 1 44 TYR H 4.000 . 4.000 3.289 2.672 3.981 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
596 1 43 ASN QB 1 44 TYR QD 6.000 . 6.000 3.850 2.713 4.452 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
597 1 43 ASN QB 1 44 TYR QE 6.000 . 6.000 5.549 3.869 6.044 0.044 42 0 "[ . 1 . 2 . 3 . 4 ]" 1
598 1 43 ASN QD 1 44 TYR H 6.000 . 6.000 4.094 3.071 4.904 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
599 1 43 ASN QD 1 44 TYR QD 6.000 . 6.000 2.863 1.947 4.060 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
600 1 43 ASN QD 1 44 TYR QE 6.000 . 6.000 4.452 2.699 6.008 0.008 30 0 "[ . 1 . 2 . 3 . 4 ]" 1
601 1 43 ASN QB 1 51 CYS QB 5.000 . 5.000 5.015 4.827 5.059 0.059 26 0 "[ . 1 . 2 . 3 . 4 ]" 1
602 1 43 ASN H 1 53 PHE QD 6.000 . 6.000 5.477 4.645 6.033 0.033 33 0 "[ . 1 . 2 . 3 . 4 ]" 1
603 1 43 ASN H 1 53 PHE QE 6.000 . 6.000 4.542 3.534 5.505 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
604 1 44 TYR H 1 44 TYR QD 5.000 . 5.000 3.655 2.050 4.123 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
605 1 44 TYR H 1 44 TYR QE 6.000 . 6.000 5.285 4.198 5.808 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
606 1 44 TYR H 1 45 GLY H 5.000 . 5.000 4.030 2.121 4.319 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
607 1 44 TYR H 1 45 GLY QA 6.000 . 6.000 4.253 3.543 4.562 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
608 1 44 TYR HA 1 45 GLY H 2.500 . 2.500 2.235 2.121 2.744 0.244 35 0 "[ . 1 . 2 . 3 . 4 ]" 1
609 1 44 TYR QB 1 45 GLY H 4.000 . 4.000 3.231 2.366 4.011 0.011 35 0 "[ . 1 . 2 . 3 . 4 ]" 1
610 1 44 TYR QD 1 45 GLY H 5.000 . 5.000 3.030 2.577 3.197 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
611 1 44 TYR QD 1 45 GLY QA 5.000 . 5.000 2.958 2.535 3.390 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
612 1 44 TYR QE 1 45 GLY QA 6.000 . 6.000 3.714 3.596 3.891 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
613 1 44 TYR QE 1 45 GLY H 5.000 . 5.000 5.027 4.760 5.103 0.103 16 0 "[ . 1 . 2 . 3 . 4 ]" 1
614 1 44 TYR QD 1 46 GLU H 6.000 . 6.000 5.424 5.056 5.796 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
615 1 44 TYR QE 1 46 GLU H 6.000 . 6.000 5.868 5.726 6.167 0.167 35 0 "[ . 1 . 2 . 3 . 4 ]" 1
616 1 44 TYR H 1 48 CYS QB 5.000 . 5.000 2.993 2.297 3.869 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
617 1 44 TYR H 1 53 PHE QD 6.000 . 6.000 5.898 5.543 6.142 0.142 33 0 "[ . 1 . 2 . 3 . 4 ]" 1
618 1 44 TYR H 1 53 PHE QE 6.000 . 6.000 4.690 3.995 5.798 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
619 1 44 TYR H 1 77 SER QB 5.000 . 5.000 3.853 3.365 4.525 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
620 1 45 GLY H 1 46 GLU H 4.500 . 4.500 4.341 4.272 4.467 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
621 1 45 GLY QA 1 46 GLU H 4.000 . 4.000 2.255 2.222 2.294 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
622 1 45 GLY QA 1 46 GLU HA 6.000 . 6.000 3.978 3.937 3.993 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
623 1 45 GLY QA 1 46 GLU QG 6.000 . 6.000 4.738 4.162 4.986 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
624 1 45 GLY QA 1 47 CYS H 5.000 . 5.000 3.530 3.202 3.589 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
625 1 45 GLY H 1 48 CYS QB 5.000 . 5.000 3.077 1.872 3.980 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
626 1 45 GLY QA 1 48 CYS H 6.000 . 6.000 3.390 3.045 3.668 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
627 1 45 GLY QA 1 48 CYS QB 6.000 . 6.000 3.508 2.868 4.407 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
628 1 45 GLY QA 1 77 SER QB 6.000 . 6.000 2.048 1.822 2.840 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
629 1 46 GLU H 1 46 GLU QG 5.000 . 5.000 3.362 2.702 3.587 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
630 1 46 GLU H 1 47 CYS H 4.000 . 4.000 2.786 2.517 2.879 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
631 1 46 GLU HA 1 47 CYS H 4.000 . 4.000 3.547 3.492 3.565 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
632 1 46 GLU QB 1 47 CYS H 5.000 . 5.000 2.568 2.459 2.790 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
633 1 46 GLU QG 1 47 CYS H 5.000 . 5.000 4.440 4.345 4.512 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
634 1 46 GLU H 1 48 CYS H 5.000 . 5.000 4.000 3.795 4.233 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
635 1 46 GLU HA 1 48 CYS H 5.000 . 5.000 4.018 3.741 4.401 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
636 1 46 GLU QB 1 48 CYS H 6.000 . 6.000 4.407 4.326 4.521 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
637 1 46 GLU QG 1 48 CYS H 6.000 . 6.000 5.786 5.427 5.992 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
638 1 46 GLU H 1 60 CYS QB 6.000 . 6.000 5.699 5.475 6.023 0.023 23 0 "[ . 1 . 2 . 3 . 4 ]" 1
639 1 46 GLU HA 1 60 CYS QB 6.000 . 6.000 4.408 3.545 5.239 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
640 1 46 GLU QB 1 60 CYS HA 5.000 . 5.000 4.853 4.443 5.027 0.027 5 0 "[ . 1 . 2 . 3 . 4 ]" 1
641 1 46 GLU QB 1 60 CYS QB 4.000 . 4.000 2.600 2.290 2.941 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
642 1 46 GLU QG 1 60 CYS HA 5.000 . 5.000 5.002 4.917 5.015 0.015 33 0 "[ . 1 . 2 . 3 . 4 ]" 1
643 1 46 GLU QG 1 60 CYS QB 5.000 . 5.000 3.025 2.818 3.923 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
644 1 46 GLU QB 1 77 SER HA 5.000 . 5.000 5.046 4.934 5.078 0.078 22 0 "[ . 1 . 2 . 3 . 4 ]" 1
645 1 46 GLU H 1 78 ASP HA 4.000 . 4.000 3.961 3.573 4.030 0.030 33 0 "[ . 1 . 2 . 3 . 4 ]" 1
646 1 46 GLU QB 1 78 ASP HA 5.000 . 5.000 3.284 2.555 3.701 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
647 1 46 GLU H 1 79 CYS H 5.000 . 5.000 4.897 4.566 5.032 0.032 30 0 "[ . 1 . 2 . 3 . 4 ]" 1
648 1 46 GLU H 1 79 CYS QB 5.000 . 5.000 4.984 4.565 5.045 0.045 23 0 "[ . 1 . 2 . 3 . 4 ]" 1
649 1 46 GLU HA 1 79 CYS H 6.000 . 6.000 6.170 5.473 6.720 0.720 16 4 "[ . * 1 .+ 2 - . 3 . * 4 ]" 1
650 1 46 GLU QB 1 79 CYS H 5.000 . 5.000 3.144 2.608 3.637 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
651 1 46 GLU QB 1 79 CYS HA 6.000 . 6.000 4.657 4.239 4.802 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
652 1 46 GLU QB 1 79 CYS QB 5.000 . 5.000 2.423 1.825 2.815 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
653 1 46 GLU QG 1 79 CYS H 6.000 . 6.000 4.238 3.335 4.801 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
654 1 46 GLU QG 1 79 CYS HA 6.000 . 6.000 5.966 5.433 6.024 0.024 25 0 "[ . 1 . 2 . 3 . 4 ]" 1
655 1 46 GLU QG 1 79 CYS QB 6.000 . 6.000 3.373 2.977 3.917 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
656 1 47 CYS H 1 48 CYS H 4.000 . 4.000 2.616 2.262 2.807 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
657 1 47 CYS H 1 48 CYS HA 6.000 . 6.000 5.101 4.793 5.292 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
658 1 47 CYS H 1 48 CYS QB 6.000 . 6.000 4.584 4.122 5.161 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
659 1 47 CYS HA 1 48 CYS H 4.000 . 4.000 3.433 3.339 3.486 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
660 1 47 CYS QB 1 48 CYS H 5.000 . 5.000 3.144 2.991 3.295 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
661 1 47 CYS QB 1 48 CYS HA 6.000 . 6.000 3.924 3.812 3.998 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
662 1 47 CYS QB 1 53 PHE QD 6.000 . 6.000 2.556 1.936 3.063 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
663 1 47 CYS HA 1 54 LYS QB 5.000 . 5.000 2.358 1.893 3.296 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
664 1 47 CYS HA 1 54 LYS QG 5.000 . 5.000 3.840 1.945 4.313 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
665 1 47 CYS HA 1 54 LYS QD 5.000 . 5.000 2.435 1.963 4.470 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
666 1 47 CYS QB 1 54 LYS H 5.000 . 5.000 2.571 2.059 3.103 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
667 1 47 CYS QB 1 54 LYS QB 6.000 . 6.000 3.339 2.820 4.047 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
668 1 47 CYS HA 1 58 THR HB 5.000 . 5.000 5.026 4.920 5.045 0.045 29 0 "[ . 1 . 2 . 3 . 4 ]" 1
669 1 47 CYS HA 1 58 THR MG 6.000 . 6.000 4.412 4.129 4.765 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
670 1 47 CYS HA 1 72 CYS QB 6.000 . 6.000 3.668 3.103 4.318 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
671 1 47 CYS QB 1 72 CYS H 6.000 . 6.000 6.267 6.000 6.559 0.559 16 2 "[ . 1 .+ 2 . 3 . - 4 ]" 1
672 1 47 CYS QB 1 72 CYS QB 5.000 . 5.000 4.046 3.376 4.258 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
673 1 47 CYS HA 1 73 THR H 6.000 . 6.000 5.796 5.162 6.005 0.005 37 0 "[ . 1 . 2 . 3 . 4 ]" 1
674 1 47 CYS QB 1 73 THR H 6.000 . 6.000 4.401 3.907 4.689 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
675 1 47 CYS QB 1 76 SER H 6.000 . 6.000 4.012 3.795 4.322 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
676 1 47 CYS H 1 77 SER HA 5.000 . 5.000 3.013 2.852 3.234 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
677 1 47 CYS QB 1 77 SER H 6.000 . 6.000 4.026 3.888 4.279 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
678 1 47 CYS QB 1 77 SER HA 4.000 . 4.000 1.802 1.659 1.982 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
679 1 47 CYS QB 1 77 SER QB 6.000 . 6.000 3.486 3.282 3.918 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
680 1 47 CYS H 1 78 ASP HA 4.000 . 4.000 3.785 3.609 4.038 0.038 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
681 1 47 CYS H 1 78 ASP QB 6.000 . 6.000 5.471 5.295 5.650 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
682 1 47 CYS QB 1 78 ASP H 6.000 . 6.000 3.186 3.023 3.689 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
683 1 47 CYS H 1 79 CYS H 6.000 . 6.000 4.518 3.934 5.116 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
684 1 47 CYS H 1 79 CYS QB 6.000 . 6.000 4.068 3.563 4.841 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
685 1 47 CYS QB 1 79 CYS HA 6.000 . 6.000 4.805 4.354 5.125 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
686 1 48 CYS H 1 49 ASP H 5.000 . 5.000 4.554 4.505 4.591 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
687 1 48 CYS HA 1 49 ASP H 3.000 . 3.000 2.135 2.089 2.199 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
688 1 48 CYS HA 1 49 ASP QB 5.000 . 5.000 3.988 3.879 4.388 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
689 1 48 CYS QB 1 49 ASP H 6.000 . 6.000 3.344 2.655 3.751 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
690 1 48 CYS HA 1 52 ARG H 5.000 . 5.000 4.042 3.663 4.498 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
691 1 48 CYS H 1 53 PHE HA 6.000 . 6.000 4.555 4.314 4.770 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
692 1 48 CYS H 1 53 PHE QD 6.000 . 6.000 3.973 3.418 4.516 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
693 1 48 CYS H 1 53 PHE QE 6.000 . 6.000 4.607 3.904 5.361 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
694 1 48 CYS HA 1 53 PHE H 6.000 . 6.000 4.688 4.327 4.945 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
695 1 48 CYS HA 1 53 PHE HA 5.000 . 5.000 2.841 2.519 3.109 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
696 1 48 CYS HA 1 53 PHE QD 4.000 . 4.000 2.929 2.374 3.462 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
697 1 48 CYS HA 1 53 PHE QE 5.000 . 5.000 4.249 3.638 4.778 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
698 1 48 CYS QB 1 53 PHE QD 5.000 . 5.000 4.092 3.332 4.816 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
699 1 48 CYS QB 1 53 PHE QE 5.000 . 5.000 4.086 2.874 5.140 0.140 16 0 "[ . 1 . 2 . 3 . 4 ]" 1
700 1 48 CYS H 1 54 LYS H 6.000 . 6.000 4.662 4.529 4.765 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
701 1 48 CYS H 1 54 LYS QB 6.000 . 6.000 5.016 4.700 5.963 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
702 1 48 CYS H 1 54 LYS QG 6.000 . 6.000 5.472 4.018 6.005 0.005 32 0 "[ . 1 . 2 . 3 . 4 ]" 1
703 1 48 CYS H 1 54 LYS QD 6.000 . 6.000 4.462 3.775 6.020 0.020 30 0 "[ . 1 . 2 . 3 . 4 ]" 1
704 1 48 CYS H 1 54 LYS QE 5.000 . 5.000 4.303 3.263 5.013 0.013 16 0 "[ . 1 . 2 . 3 . 4 ]" 1
705 1 48 CYS HA 1 54 LYS H 4.000 . 4.000 3.925 3.787 4.018 0.018 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
706 1 48 CYS HA 1 54 LYS HA 6.000 . 6.000 5.769 5.485 6.019 0.019 4 0 "[ . 1 . 2 . 3 . 4 ]" 1
707 1 48 CYS HA 1 54 LYS QB 6.000 . 6.000 5.122 4.804 5.884 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
708 1 48 CYS HA 1 54 LYS QG 6.000 . 6.000 4.955 3.893 5.474 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
709 1 48 CYS H 1 77 SER HA 5.000 . 5.000 3.384 2.960 3.730 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
710 1 48 CYS HA 1 77 SER HA 5.000 . 5.000 4.463 4.198 4.879 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
711 1 48 CYS QB 1 77 SER HA 5.000 . 5.000 4.380 3.670 5.066 0.066 30 0 "[ . 1 . 2 . 3 . 4 ]" 1
712 1 49 ASP H 1 50 GLN H 5.000 . 5.000 3.771 3.609 3.904 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
713 1 49 ASP H 1 50 GLN HA 6.000 . 6.000 5.320 5.165 5.453 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
714 1 49 ASP H 1 50 GLN QB 6.000 . 6.000 4.669 4.547 4.850 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
715 1 49 ASP HA 1 50 GLN H 3.000 . 3.000 2.162 2.146 2.185 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
716 1 49 ASP HA 1 50 GLN HA 4.500 . 4.500 4.379 4.366 4.396 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
717 1 49 ASP HA 1 50 GLN QB 5.000 . 5.000 4.150 4.004 4.565 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
718 1 49 ASP HA 1 50 GLN QG 6.000 . 6.000 5.040 3.396 5.879 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
719 1 49 ASP QB 1 50 GLN H 5.000 . 5.000 3.825 3.536 3.965 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
720 1 49 ASP H 1 51 CYS H 5.000 . 5.000 3.519 3.166 3.934 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
721 1 49 ASP HA 1 51 CYS H 4.000 . 4.000 3.903 3.649 4.042 0.042 35 0 "[ . 1 . 2 . 3 . 4 ]" 1
722 1 49 ASP H 1 52 ARG H 4.000 . 4.000 2.502 2.195 2.893 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
723 1 49 ASP H 1 52 ARG QB 5.000 . 5.000 4.214 3.846 4.643 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
724 1 49 ASP H 1 52 ARG QG 6.000 . 6.000 5.500 4.771 5.951 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
725 1 49 ASP HA 1 52 ARG H 5.000 . 5.000 4.355 4.245 4.548 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
726 1 49 ASP H 1 53 PHE H 6.000 . 6.000 4.835 4.394 5.234 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
727 1 49 ASP H 1 53 PHE HA 5.000 . 5.000 3.758 3.202 4.233 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
728 1 49 ASP H 1 53 PHE QD 6.000 . 6.000 4.590 4.030 5.079 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
729 1 49 ASP H 1 54 LYS H 5.000 . 5.000 4.628 4.180 5.001 0.001 13 0 "[ . 1 . 2 . 3 . 4 ]" 1
730 1 49 ASP H 1 54 LYS HA 6.000 . 6.000 5.396 5.065 5.645 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
731 1 49 ASP H 1 54 LYS QB 6.000 . 6.000 5.568 5.233 6.016 0.016 16 0 "[ . 1 . 2 . 3 . 4 ]" 1
732 1 49 ASP H 1 54 LYS QG 5.000 . 5.000 4.549 3.692 5.001 0.001 34 0 "[ . 1 . 2 . 3 . 4 ]" 1
733 1 49 ASP H 1 54 LYS QD 6.000 . 6.000 5.256 4.617 6.003 0.003 15 0 "[ . 1 . 2 . 3 . 4 ]" 1
734 1 49 ASP H 1 54 LYS QE 6.000 . 6.000 4.331 3.548 6.007 0.007 1 0 "[ . 1 . 2 . 3 . 4 ]" 1
735 1 49 ASP HA 1 54 LYS QG 6.000 . 6.000 4.782 4.376 5.055 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
736 1 49 ASP QB 1 54 LYS H 5.000 . 5.000 4.146 3.830 4.852 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
737 1 49 ASP QB 1 54 LYS HA 5.000 . 5.000 3.566 3.328 4.256 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
738 1 49 ASP QB 1 54 LYS QB 5.000 . 5.000 3.961 3.700 4.373 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
739 1 49 ASP QB 1 54 LYS QG 4.000 . 4.000 2.219 1.926 2.607 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
740 1 49 ASP QB 1 54 LYS QD 5.000 . 5.000 3.168 2.061 3.749 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
741 1 49 ASP QB 1 54 LYS QE 4.000 . 4.000 1.993 1.812 3.802 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
742 1 49 ASP QB 1 55 LYS H 6.000 . 6.000 5.222 4.975 6.008 0.008 15 0 "[ . 1 . 2 . 3 . 4 ]" 1
743 1 50 GLN H 1 50 GLN QG 5.000 . 5.000 3.597 2.615 4.349 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
744 1 50 GLN H 1 51 CYS H 4.000 . 4.000 2.609 2.491 2.685 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
745 1 50 GLN H 1 51 CYS HA 5.000 . 5.000 4.853 4.737 4.912 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
746 1 50 GLN HA 1 51 CYS H 4.000 . 4.000 2.812 2.724 2.945 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
747 1 50 GLN QB 1 51 CYS H 5.000 . 5.000 3.848 3.772 3.911 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
748 1 50 GLN QG 1 51 CYS H 5.000 . 5.000 4.488 4.300 4.762 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
749 1 50 GLN H 1 52 ARG H 5.000 . 5.000 3.984 3.872 4.185 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
750 1 50 GLN HA 1 52 ARG H 5.500 . 5.500 4.369 4.225 4.604 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
751 1 50 GLN QB 1 52 ARG H 5.000 . 5.000 3.621 3.212 3.814 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
752 1 51 CYS H 1 52 ARG H 4.000 . 4.000 2.621 2.565 2.680 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
753 1 51 CYS H 1 52 ARG QB 6.000 . 6.000 4.726 4.557 5.138 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
754 1 51 CYS HA 1 52 ARG H 5.000 . 5.000 3.004 2.886 3.202 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
755 1 51 CYS QB 1 52 ARG H 6.000 . 6.000 3.729 3.543 3.812 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
756 1 51 CYS QB 1 52 ARG QG 6.000 . 6.000 4.135 2.849 5.714 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
757 1 52 ARG H 1 52 ARG QG 5.000 . 5.000 3.738 2.732 4.366 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
758 1 52 ARG H 1 52 ARG QD 5.000 . 5.000 4.704 3.747 5.003 0.003 12 0 "[ . 1 . 2 . 3 . 4 ]" 1
759 1 52 ARG H 1 53 PHE H 5.000 . 5.000 4.309 4.151 4.446 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
760 1 52 ARG HA 1 53 PHE H 3.000 . 3.000 2.228 2.156 2.375 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
761 1 52 ARG HA 1 53 PHE QB 6.000 . 6.000 4.422 4.346 4.555 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
762 1 52 ARG HA 1 53 PHE QD 5.000 . 5.000 4.768 4.529 4.861 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
763 1 52 ARG HA 1 53 PHE QE 6.000 . 6.000 5.831 5.650 6.005 0.005 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
764 1 52 ARG QB 1 53 PHE H 4.000 . 4.000 3.209 2.543 3.786 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
765 1 52 ARG QB 1 53 PHE QB 6.000 . 6.000 4.613 4.069 5.183 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
766 1 52 ARG QG 1 53 PHE H 5.000 . 5.000 3.531 2.174 4.643 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
767 1 52 ARG QD 1 53 PHE H 5.000 . 5.000 3.807 1.991 4.988 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
768 1 52 ARG HE 1 53 PHE H 5.000 . 5.000 4.591 3.206 5.002 0.002 5 0 "[ . 1 . 2 . 3 . 4 ]" 1
769 1 52 ARG H 1 54 LYS QG 6.000 . 6.000 6.167 5.723 6.447 0.447 15 0 "[ . 1 . 2 . 3 . 4 ]" 1
770 1 53 PHE H 1 53 PHE QD 5.000 . 5.000 3.339 3.265 3.446 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
771 1 53 PHE H 1 53 PHE QE 6.000 . 6.000 4.775 4.655 4.952 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
772 1 53 PHE H 1 54 LYS H 5.000 . 5.000 4.606 4.571 4.633 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
773 1 53 PHE HA 1 54 LYS H 3.000 . 3.000 2.200 2.148 2.271 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
774 1 53 PHE HA 1 54 LYS HA 5.000 . 5.000 4.303 4.290 4.329 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
775 1 53 PHE HA 1 54 LYS QB 6.000 . 6.000 4.165 4.077 4.711 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
776 1 53 PHE HA 1 54 LYS QG 6.000 . 6.000 4.642 3.519 4.855 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
777 1 53 PHE QB 1 54 LYS H 4.000 . 4.000 2.836 2.582 3.062 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
778 1 53 PHE QD 1 54 LYS H 4.000 . 4.000 3.390 3.309 3.558 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
779 1 53 PHE QD 1 54 LYS QG 6.000 . 6.000 5.803 4.400 6.014 0.014 13 0 "[ . 1 . 2 . 3 . 4 ]" 1
780 1 53 PHE QE 1 54 LYS H 5.500 . 5.500 5.590 5.539 5.640 0.140 21 0 "[ . 1 . 2 . 3 . 4 ]" 1
781 1 53 PHE HA 1 55 LYS H 6.000 . 6.000 5.553 5.216 5.941 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
782 1 53 PHE QB 1 56 ALA HA 6.000 . 6.000 6.047 6.018 6.071 0.071 30 0 "[ . 1 . 2 . 3 . 4 ]" 1
783 1 53 PHE QB 1 56 ALA H 6.000 . 6.000 5.219 5.132 5.317 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
784 1 53 PHE QD 1 56 ALA H 6.000 . 6.000 6.973 6.705 7.031 1.031 23 43 [**********************+*********-**********] 1
785 1 53 PHE QB 1 74 GLY H 6.000 . 6.000 3.512 3.163 3.766 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
786 1 53 PHE QD 1 74 GLY QA 5.000 . 5.000 3.721 3.385 4.090 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
787 1 53 PHE QD 1 74 GLY H 6.000 . 6.000 5.168 4.754 5.491 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
788 1 53 PHE QD 1 75 LYS H 6.000 . 6.000 3.961 3.568 4.180 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
789 1 53 PHE QD 1 75 LYS HA 4.000 . 4.000 2.839 2.345 3.152 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
790 1 53 PHE QD 1 75 LYS QB 5.000 . 5.000 4.625 4.286 4.860 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
791 1 53 PHE QD 1 75 LYS QG 5.000 . 5.000 4.762 4.269 5.020 0.020 23 0 "[ . 1 . 2 . 3 . 4 ]" 1
792 1 53 PHE QD 1 75 LYS QD 6.000 . 6.000 5.914 5.150 6.021 0.021 17 0 "[ . 1 . 2 . 3 . 4 ]" 1
793 1 53 PHE QE 1 75 LYS H 6.000 . 6.000 5.077 4.649 5.395 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
794 1 53 PHE QE 1 75 LYS HA 5.000 . 5.000 3.684 3.089 4.200 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
795 1 53 PHE QE 1 75 LYS QB 5.000 . 5.000 4.769 4.340 5.001 0.001 28 0 "[ . 1 . 2 . 3 . 4 ]" 1
796 1 53 PHE QE 1 75 LYS QG 6.000 . 6.000 5.592 5.061 6.017 0.017 35 0 "[ . 1 . 2 . 3 . 4 ]" 1
797 1 53 PHE H 1 76 SER H 6.000 . 6.000 6.308 5.933 7.010 1.010 40 10 "[* * *1 **- *2 * 3 . * + ]" 1
798 1 53 PHE HA 1 76 SER H 6.000 . 6.000 5.418 4.914 6.006 0.006 1 0 "[ . 1 . 2 . 3 . 4 ]" 1
799 1 53 PHE QB 1 76 SER H 6.000 . 6.000 3.351 2.986 3.811 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
800 1 53 PHE QD 1 76 SER H 5.000 . 5.000 3.295 2.872 3.917 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
801 1 53 PHE QD 1 76 SER HA 5.000 . 5.000 3.806 3.601 3.945 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
802 1 53 PHE QD 1 76 SER QB 6.000 . 6.000 4.926 4.820 5.014 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
803 1 53 PHE QE 1 76 SER H 5.000 . 5.000 3.823 3.378 4.410 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
804 1 53 PHE QE 1 76 SER HA 4.000 . 4.000 2.612 2.103 2.929 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
805 1 53 PHE QE 1 76 SER QB 5.000 . 5.000 4.213 3.938 4.389 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
806 1 53 PHE HA 1 77 SER HA 5.000 . 5.000 4.450 4.300 4.520 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
807 1 53 PHE QD 1 77 SER H 5.000 . 5.000 4.544 4.375 4.713 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
808 1 53 PHE QD 1 77 SER HA 4.000 . 4.000 2.923 2.708 3.111 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
809 1 53 PHE QD 1 77 SER QB 5.000 . 5.000 3.846 3.584 4.339 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
810 1 53 PHE QE 1 77 SER H 4.000 . 4.000 3.107 2.925 3.349 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
811 1 53 PHE QE 1 77 SER HA 4.000 . 4.000 2.601 2.295 3.070 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
812 1 53 PHE QE 1 77 SER QB 5.000 . 5.000 2.224 1.870 3.332 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
813 1 53 PHE QB 1 78 ASP H 6.000 . 6.000 6.043 6.012 6.066 0.066 39 0 "[ . 1 . 2 . 3 . 4 ]" 1
814 1 53 PHE QD 1 78 ASP H 6.000 . 6.000 5.345 5.243 5.496 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
815 1 53 PHE QE 1 78 ASP H 5.000 . 5.000 4.808 4.654 5.023 0.023 20 0 "[ . 1 . 2 . 3 . 4 ]" 1
816 1 54 LYS H 1 54 LYS QG 5.000 . 5.000 3.192 2.150 3.419 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
817 1 54 LYS H 1 54 LYS QD 5.000 . 5.000 3.588 3.196 4.338 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
818 1 54 LYS H 1 55 LYS H 5.000 . 5.000 4.359 4.185 4.536 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
819 1 54 LYS HA 1 55 LYS H 2.200 . 2.200 2.163 2.127 2.206 0.006 41 0 "[ . 1 . 2 . 3 . 4 ]" 1
820 1 54 LYS HA 1 55 LYS QB 5.000 . 5.000 4.070 4.028 4.117 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
821 1 54 LYS QB 1 55 LYS H 4.000 . 4.000 3.619 3.309 3.803 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
822 1 54 LYS QG 1 55 LYS H 5.000 . 5.000 3.906 3.669 4.573 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
823 1 54 LYS QD 1 55 LYS H 6.000 . 6.000 5.503 4.063 5.723 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
824 1 54 LYS QE 1 55 LYS H 6.000 . 6.000 5.940 5.430 6.028 0.028 1 0 "[ . 1 . 2 . 3 . 4 ]" 1
825 1 54 LYS H 1 58 THR HB 6.000 . 6.000 5.223 5.147 5.287 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
826 1 54 LYS H 1 58 THR MG 5.000 . 5.000 5.038 4.959 5.057 0.057 42 0 "[ . 1 . 2 . 3 . 4 ]" 1
827 1 54 LYS QB 1 58 THR MG 5.000 . 5.000 2.321 2.105 2.443 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
828 1 54 LYS QB 1 58 THR H 6.000 . 6.000 3.905 3.770 4.050 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
829 1 54 LYS QB 1 58 THR HB 5.000 . 5.000 1.954 1.899 2.241 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
830 1 54 LYS QG 1 58 THR H 6.000 . 6.000 5.341 5.085 6.057 0.057 16 0 "[ . 1 . 2 . 3 . 4 ]" 1
831 1 54 LYS QG 1 58 THR HB 6.000 . 6.000 3.314 3.041 4.071 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
832 1 54 LYS QG 1 58 THR MG 5.000 . 5.000 2.069 1.843 3.361 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
833 1 54 LYS QD 1 58 THR H 6.000 . 6.000 5.713 5.226 6.006 0.006 1 0 "[ . 1 . 2 . 3 . 4 ]" 1
834 1 54 LYS QD 1 58 THR HB 5.000 . 5.000 3.519 3.270 3.793 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
835 1 54 LYS QD 1 58 THR MG 4.000 . 4.000 1.931 1.655 2.070 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
836 1 54 LYS QE 1 58 THR MG 4.000 . 4.000 3.368 1.912 3.760 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
837 1 54 LYS QZ 1 58 THR MG 5.000 . 5.000 3.013 1.771 3.918 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
838 1 54 LYS HA 1 72 CYS QB 5.000 . 5.000 4.647 4.494 4.840 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
839 1 54 LYS QB 1 72 CYS H 6.000 . 6.000 4.435 4.209 4.682 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
840 1 54 LYS QB 1 72 CYS QB 5.000 . 5.000 2.496 2.282 2.799 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
841 1 54 LYS H 1 77 SER HA 5.000 . 5.000 4.972 4.748 5.076 0.076 11 0 "[ . 1 . 2 . 3 . 4 ]" 1
842 1 55 LYS H 1 55 LYS QG 5.000 . 5.000 4.029 3.957 4.120 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
843 1 55 LYS H 1 55 LYS QD 5.000 . 5.000 4.185 3.858 4.465 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
844 1 55 LYS H 1 55 LYS QE 6.000 . 6.000 5.566 4.456 6.001 0.001 33 0 "[ . 1 . 2 . 3 . 4 ]" 1
845 1 55 LYS H 1 56 ALA H 4.500 . 4.500 4.519 4.505 4.546 0.046 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
846 1 55 LYS H 1 56 ALA MB 6.000 . 6.000 5.932 5.909 5.947 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
847 1 55 LYS HA 1 56 ALA H 2.200 . 2.200 2.150 2.143 2.164 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
848 1 55 LYS HA 1 56 ALA MB 4.000 . 4.000 4.014 3.989 4.023 0.023 26 0 "[ . 1 . 2 . 3 . 4 ]" 1
849 1 55 LYS QB 1 56 ALA H 4.000 . 4.000 3.754 3.629 3.829 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
850 1 55 LYS QG 1 56 ALA H 4.000 . 4.000 2.772 2.521 3.080 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
851 1 55 LYS QE 1 56 ALA H 5.000 . 5.000 4.244 2.050 5.000 0.000 33 0 "[ . 1 . 2 . 3 . 4 ]" 1
852 1 55 LYS QE 1 56 ALA MB 6.000 . 6.000 4.230 2.763 5.402 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
853 1 55 LYS H 1 58 THR HB 5.000 . 5.000 4.969 4.774 5.022 0.022 37 0 "[ . 1 . 2 . 3 . 4 ]" 1
854 1 55 LYS H 1 58 THR MG 5.000 . 5.000 4.946 4.632 5.016 0.016 43 0 "[ . 1 . 2 . 3 . 4 ]" 1
855 1 55 LYS HA 1 58 THR H 6.000 . 6.000 5.507 5.488 5.589 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
856 1 55 LYS QB 1 58 THR H 5.000 . 5.000 4.732 4.683 4.824 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
857 1 55 LYS QB 1 58 THR HB 6.000 . 6.000 5.091 4.948 5.215 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
858 1 55 LYS QB 1 58 THR MG 6.000 . 6.000 5.033 4.632 5.141 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
859 1 55 LYS QG 1 58 THR H 5.000 . 5.000 4.983 4.895 5.001 0.001 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
860 1 55 LYS HA 1 74 GLY H 5.000 . 5.000 4.413 4.165 5.003 0.003 11 0 "[ . 1 . 2 . 3 . 4 ]" 1
861 1 55 LYS HA 1 74 GLY QA 4.000 . 4.000 2.827 2.176 3.180 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
862 1 56 ALA H 1 57 GLY H 4.500 . 4.500 4.525 4.507 4.561 0.061 43 0 "[ . 1 . 2 . 3 . 4 ]" 1
863 1 56 ALA H 1 57 GLY QA 6.000 . 6.000 5.267 5.218 5.293 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
864 1 56 ALA HA 1 57 GLY H 2.500 . 2.500 2.146 2.142 2.173 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
865 1 56 ALA HA 1 57 GLY QA 4.000 . 4.000 3.927 3.921 3.945 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
866 1 56 ALA MB 1 57 GLY H 4.000 . 4.000 3.061 2.890 3.185 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
867 1 56 ALA MB 1 57 GLY QA 5.000 . 5.000 3.634 3.577 3.660 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
868 1 56 ALA H 1 58 THR H 5.000 . 5.000 4.897 4.837 5.005 0.005 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
869 1 56 ALA HA 1 58 THR H 4.000 . 4.000 3.282 3.181 3.322 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
870 1 56 ALA MB 1 58 THR H 5.000 . 5.000 4.438 4.321 4.504 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
871 1 56 ALA MB 1 71 TYR QB 6.000 . 6.000 4.583 4.435 5.307 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
872 1 56 ALA MB 1 71 TYR QD 6.000 . 6.000 5.709 5.650 5.799 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
873 1 56 ALA MB 1 71 TYR QE 6.000 . 6.000 7.112 7.086 7.146 1.146 37 43 [****************-*******************+******] 1
874 1 56 ALA HA 1 72 CYS QB 5.000 . 5.000 2.853 2.468 3.459 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
875 1 56 ALA MB 1 72 CYS H 6.000 . 6.000 5.367 5.177 5.975 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
876 1 56 ALA MB 1 72 CYS QB 6.000 . 6.000 4.247 3.828 4.727 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
877 1 56 ALA H 1 73 THR MG 6.000 . 6.000 6.011 5.714 6.033 0.033 15 0 "[ . 1 . 2 . 3 . 4 ]" 1
878 1 56 ALA HA 1 73 THR H 5.000 . 5.000 3.827 3.579 3.995 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
879 1 56 ALA HA 1 73 THR HA 4.000 . 4.000 2.725 2.033 2.955 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
880 1 56 ALA HA 1 73 THR MG 5.000 . 5.000 4.372 4.059 4.438 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
881 1 56 ALA MB 1 73 THR H 5.000 . 5.000 4.207 3.980 4.432 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
882 1 56 ALA H 1 74 GLY H 5.000 . 5.000 3.601 3.426 4.104 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
883 1 56 ALA H 1 74 GLY QA 4.000 . 4.000 2.473 1.964 2.699 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
884 1 56 ALA HA 1 74 GLY H 5.000 . 5.000 3.203 2.811 3.806 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
885 1 56 ALA HA 1 74 GLY QA 5.000 . 5.000 3.913 3.401 4.062 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
886 1 56 ALA MB 1 74 GLY H 5.000 . 5.000 3.568 3.378 3.973 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
887 1 56 ALA MB 1 74 GLY QA 4.000 . 4.000 3.328 3.152 3.468 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
888 1 56 ALA H 1 75 LYS H 6.000 . 6.000 5.453 5.023 5.582 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
889 1 56 ALA MB 1 75 LYS H 6.000 . 6.000 4.810 4.468 4.959 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
890 1 56 ALA MB 1 75 LYS QE 6.000 . 6.000 5.170 3.555 6.002 0.002 20 0 "[ . 1 . 2 . 3 . 4 ]" 1
891 1 56 ALA H 1 76 SER H 6.000 . 6.000 6.969 6.792 7.028 1.028 27 43 [**************************+************-***] 1
892 1 56 ALA MB 1 76 SER H 6.000 . 6.000 6.347 5.957 6.508 0.508 36 2 "[ . 1 . 2 . 3 .+ -4 ]" 1
893 1 57 GLY H 1 58 THR H 4.000 . 4.000 2.220 2.035 2.347 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
894 1 57 GLY QA 1 58 THR H 4.000 . 4.000 2.900 2.882 2.915 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
895 1 57 GLY QA 1 58 THR MG 6.000 . 6.000 5.314 5.282 5.332 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
896 1 57 GLY QA 1 59 VAL H 6.000 . 6.000 4.864 4.702 5.199 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
897 1 57 GLY QA 1 59 VAL QG 6.000 . 6.000 5.376 5.228 5.579 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
898 1 57 GLY H 1 71 TYR HA 5.000 . 5.000 4.430 4.324 4.949 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
899 1 57 GLY H 1 71 TYR QB 5.000 . 5.000 2.751 2.576 3.315 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
900 1 57 GLY H 1 71 TYR QD 5.000 . 5.000 3.507 3.408 3.631 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
901 1 57 GLY QA 1 71 TYR HA 6.000 . 6.000 4.692 4.599 4.936 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
902 1 57 GLY QA 1 71 TYR QB 4.000 . 4.000 2.845 2.686 3.016 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
903 1 57 GLY QA 1 71 TYR QD 4.000 . 4.000 2.791 2.151 2.945 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
904 1 57 GLY QA 1 71 TYR QE 5.000 . 5.000 3.839 3.510 4.009 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
905 1 57 GLY H 1 72 CYS H 5.000 . 5.000 3.224 2.973 3.762 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
906 1 57 GLY H 1 72 CYS HA 6.000 . 6.000 4.721 4.464 4.868 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
907 1 57 GLY H 1 72 CYS QB 5.000 . 5.000 3.235 2.900 3.742 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
908 1 57 GLY QA 1 72 CYS H 5.000 . 5.000 4.434 4.206 4.703 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
909 1 57 GLY H 1 73 THR H 6.000 . 6.000 5.033 4.600 5.162 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
910 1 57 GLY H 1 73 THR MG 6.000 . 6.000 4.851 4.505 4.917 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
911 1 57 GLY H 1 79 CYS HA 6.000 . 6.000 7.056 7.020 7.082 1.082 33 43 [****-***************************+**********] 1
912 1 58 THR H 1 59 VAL H 5.000 . 5.000 4.381 4.306 4.485 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
913 1 58 THR H 1 59 VAL QG 6.000 . 6.000 5.488 5.377 5.546 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
914 1 58 THR HA 1 59 VAL H 2.200 . 2.200 2.176 2.159 2.196 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
915 1 58 THR HA 1 59 VAL HB 5.000 . 5.000 4.670 4.567 4.886 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
916 1 58 THR HA 1 59 VAL QG 5.000 . 5.000 3.671 3.566 3.756 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
917 1 58 THR HB 1 59 VAL H 5.000 . 5.000 4.370 4.191 4.465 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
918 1 58 THR HB 1 59 VAL QG 6.000 . 6.000 5.208 5.136 5.261 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
919 1 58 THR MG 1 59 VAL H 4.000 . 4.000 2.915 2.526 3.197 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
920 1 58 THR MG 1 59 VAL HA 5.000 . 5.000 4.243 4.096 4.393 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
921 1 58 THR MG 1 59 VAL QG 5.000 . 5.000 3.347 3.265 3.420 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
922 1 58 THR MG 1 60 CYS H 6.000 . 6.000 4.563 4.392 4.787 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
923 1 58 THR MG 1 60 CYS HA 5.000 . 5.000 4.137 3.980 4.347 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
924 1 58 THR MG 1 60 CYS QB 6.000 . 6.000 4.483 3.547 4.797 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
925 1 58 THR H 1 71 TYR HA 5.000 . 5.000 4.584 4.488 4.732 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
926 1 58 THR H 1 71 TYR QB 5.000 . 5.000 3.974 3.670 4.137 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
927 1 58 THR H 1 71 TYR QE 6.000 . 6.000 4.998 4.780 5.183 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
928 1 58 THR HA 1 71 TYR QD 5.000 . 5.000 3.449 3.322 3.627 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
929 1 58 THR HA 1 71 TYR QE 5.000 . 5.000 3.751 3.644 3.867 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
930 1 58 THR HB 1 71 TYR HA 6.000 . 6.000 4.991 4.831 5.165 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
931 1 58 THR HB 1 71 TYR QB 6.000 . 6.000 5.410 5.200 5.657 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
932 1 58 THR HB 1 71 TYR QD 6.000 . 6.000 4.601 4.476 4.897 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
933 1 58 THR MG 1 71 TYR HA 6.000 . 6.000 5.006 4.842 5.219 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
934 1 58 THR MG 1 71 TYR QD 5.000 . 5.000 4.589 4.497 4.938 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
935 1 58 THR MG 1 71 TYR QE 5.000 . 5.000 5.075 5.043 5.123 0.123 30 0 "[ . 1 . 2 . 3 . 4 ]" 1
936 1 58 THR H 1 72 CYS H 4.000 . 4.000 3.170 3.038 3.313 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
937 1 58 THR H 1 72 CYS HA 6.000 . 6.000 5.217 5.006 5.320 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
938 1 58 THR H 1 72 CYS QB 5.000 . 5.000 2.761 2.341 3.258 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
939 1 58 THR HA 1 72 CYS H 5.000 . 5.000 4.594 4.478 4.656 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
940 1 58 THR HB 1 72 CYS H 4.000 . 4.000 3.364 3.192 3.519 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
941 1 58 THR HB 1 72 CYS HA 5.000 . 5.000 4.996 4.803 5.101 0.101 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
942 1 58 THR HB 1 72 CYS QB 4.000 . 4.000 2.283 2.004 2.543 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
943 1 58 THR MG 1 72 CYS H 5.000 . 5.000 4.233 4.060 4.410 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
944 1 58 THR MG 1 72 CYS QB 5.000 . 5.000 3.386 3.135 3.631 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
945 1 58 THR H 1 73 THR H 6.000 . 6.000 5.866 5.189 6.004 0.004 37 0 "[ . 1 . 2 . 3 . 4 ]" 1
946 1 58 THR HB 1 73 THR H 6.000 . 6.000 5.966 5.408 6.102 0.102 37 0 "[ . 1 . 2 . 3 . 4 ]" 1
947 1 59 VAL H 1 60 CYS H 5.000 . 5.000 4.484 4.439 4.537 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
948 1 59 VAL H 1 60 CYS HA 6.000 . 6.000 5.390 5.259 5.521 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
949 1 59 VAL HA 1 60 CYS H 3.000 . 3.000 2.142 2.116 2.163 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
950 1 59 VAL HA 1 60 CYS HA 5.000 . 5.000 4.392 4.375 4.398 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
951 1 59 VAL HA 1 60 CYS QB 5.000 . 5.000 4.582 3.992 4.794 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
952 1 59 VAL HB 1 60 CYS H 4.500 . 4.500 4.287 4.223 4.348 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
953 1 59 VAL QG 1 60 CYS H 5.000 . 5.000 2.658 2.464 2.827 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
954 1 59 VAL QG 1 60 CYS HA 5.000 . 5.000 3.513 3.352 3.645 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
955 1 59 VAL QG 1 60 CYS QB 5.000 . 5.000 4.236 3.998 4.344 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
956 1 59 VAL H 1 61 ARG H 6.000 . 6.000 6.013 5.911 6.138 0.138 35 0 "[ . 1 . 2 . 3 . 4 ]" 1
957 1 59 VAL HA 1 61 ARG H 4.000 . 4.000 3.588 3.545 3.737 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
958 1 59 VAL HB 1 61 ARG H 6.000 . 6.000 5.071 4.964 5.207 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
959 1 59 VAL QG 1 61 ARG H 5.000 . 5.000 2.482 2.291 2.656 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
960 1 59 VAL QG 1 61 ARG HA 6.000 . 6.000 3.809 3.484 4.338 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
961 1 59 VAL HB 1 62 ILE MG 6.000 . 6.000 5.979 5.092 6.041 0.041 13 0 "[ . 1 . 2 . 3 . 4 ]" 1
962 1 59 VAL QG 1 62 ILE H 6.000 . 6.000 4.673 4.363 5.243 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
963 1 59 VAL QG 1 62 ILE HA 6.000 . 6.000 4.263 3.890 4.505 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
964 1 59 VAL QG 1 62 ILE QG 5.000 . 5.000 3.192 1.986 4.591 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
965 1 59 VAL QG 1 62 ILE MD 6.000 . 6.000 3.009 1.736 4.964 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
966 1 59 VAL QG 1 63 ALA H 6.000 . 6.000 5.901 5.505 6.031 0.031 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
967 1 59 VAL H 1 69 ASP QB 6.000 . 6.000 6.234 5.956 6.558 0.558 43 2 "[ . 1 . 2 . -3 . 4 +]" 1
968 1 59 VAL HA 1 69 ASP QB 6.000 . 6.000 4.636 4.456 4.901 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
969 1 59 VAL QG 1 69 ASP H 6.000 . 6.000 5.834 5.591 6.014 0.014 29 0 "[ . 1 . 2 . 3 . 4 ]" 1
970 1 59 VAL QG 1 69 ASP HA 5.000 . 5.000 4.089 3.846 4.295 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
971 1 59 VAL QG 1 69 ASP QB 4.000 . 4.000 2.891 2.472 3.408 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
972 1 59 VAL QG 1 70 ASP H 5.000 . 5.000 2.968 2.437 3.478 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
973 1 59 VAL QG 1 70 ASP HA 6.000 . 6.000 4.575 4.379 4.889 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
974 1 59 VAL QG 1 70 ASP QB 6.000 . 6.000 3.143 2.838 3.431 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
975 1 59 VAL H 1 71 TYR HA 5.000 . 5.000 4.389 4.289 4.461 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
976 1 59 VAL H 1 71 TYR QB 6.000 . 6.000 5.188 4.988 5.294 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
977 1 59 VAL H 1 71 TYR QD 4.000 . 4.000 3.037 2.771 3.881 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
978 1 59 VAL H 1 71 TYR QE 5.000 . 5.000 2.623 2.321 3.405 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
979 1 59 VAL HA 1 71 TYR HA 4.000 . 4.000 2.283 2.161 2.343 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
980 1 59 VAL HA 1 71 TYR QB 4.000 . 4.000 4.032 3.929 4.059 0.059 30 0 "[ . 1 . 2 . 3 . 4 ]" 1
981 1 59 VAL HA 1 71 TYR QD 4.000 . 4.000 2.823 2.607 3.466 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
982 1 59 VAL HA 1 71 TYR QE 4.000 . 4.000 3.498 3.213 3.957 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
983 1 59 VAL HB 1 71 TYR HA 5.000 . 5.000 4.361 4.209 4.546 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
984 1 59 VAL HB 1 71 TYR QD 4.000 . 4.000 3.469 3.337 3.726 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
985 1 59 VAL HB 1 71 TYR QE 4.000 . 4.000 2.306 2.171 2.895 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
986 1 59 VAL QG 1 71 TYR HA 5.000 . 5.000 3.786 3.636 3.873 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
987 1 59 VAL QG 1 71 TYR QB 5.000 . 5.000 4.666 4.480 4.767 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
988 1 59 VAL QG 1 71 TYR QD 5.000 . 5.000 3.663 3.233 3.739 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
989 1 59 VAL QG 1 71 TYR QE 5.000 . 5.000 3.011 2.663 3.084 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
990 1 59 VAL H 1 72 CYS H 6.000 . 6.000 4.764 4.625 4.849 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
991 1 59 VAL HA 1 72 CYS H 4.000 . 4.000 3.704 3.588 3.769 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
992 1 59 VAL HA 1 72 CYS QB 5.000 . 5.000 5.028 4.985 5.052 0.052 43 0 "[ . 1 . 2 . 3 . 4 ]" 1
993 1 59 VAL HB 1 72 CYS H 6.000 . 6.000 5.779 5.647 5.874 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
994 1 59 VAL QG 1 72 CYS H 5.000 . 5.000 4.963 4.879 5.014 0.014 5 0 "[ . 1 . 2 . 3 . 4 ]" 1
995 1 60 CYS H 1 61 ARG H 4.000 . 4.000 2.027 1.902 2.171 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
996 1 60 CYS H 1 61 ARG HA 5.000 . 5.000 4.746 4.647 4.848 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
997 1 60 CYS H 1 61 ARG QB 6.000 . 6.000 4.336 3.858 5.115 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
998 1 60 CYS HA 1 61 ARG H 4.000 . 4.000 3.443 3.305 3.498 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
999 1 60 CYS HA 1 61 ARG HA 6.000 . 6.000 4.520 4.434 4.555 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1000 1 60 CYS HA 1 61 ARG QB 6.000 . 6.000 4.950 4.623 5.354 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1001 1 60 CYS QB 1 61 ARG H 5.000 . 5.000 3.037 2.623 3.685 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1002 1 60 CYS H 1 70 ASP H 5.500 . 5.500 4.741 4.452 5.182 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1003 1 60 CYS H 1 70 ASP QB 6.000 . 6.000 3.109 2.924 3.539 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1004 1 60 CYS H 1 71 TYR H 6.000 . 6.000 4.580 4.407 4.867 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1005 1 60 CYS H 1 71 TYR HA 4.000 . 4.000 2.937 2.704 3.028 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1006 1 60 CYS H 1 71 TYR QB 5.000 . 5.000 4.990 4.817 5.052 0.052 30 0 "[ . 1 . 2 . 3 . 4 ]" 1
1007 1 60 CYS H 1 71 TYR QD 5.000 . 5.000 4.523 4.243 4.822 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1008 1 60 CYS H 1 71 TYR QE 6.000 . 6.000 5.429 5.160 5.626 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1009 1 60 CYS QB 1 71 TYR HA 6.000 . 6.000 4.698 3.709 5.253 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1010 1 60 CYS H 1 72 CYS H 4.000 . 4.000 4.030 3.871 4.055 0.055 21 0 "[ . 1 . 2 . 3 . 4 ]" 1
1011 1 60 CYS HA 1 72 CYS H 6.000 . 6.000 5.992 5.807 6.050 0.050 39 0 "[ . 1 . 2 . 3 . 4 ]" 1
1012 1 60 CYS QB 1 72 CYS H 5.000 . 5.000 4.881 3.898 5.040 0.040 13 0 "[ . 1 . 2 . 3 . 4 ]" 1
1013 1 60 CYS HA 1 79 CYS QB 6.000 . 6.000 4.578 4.291 5.160 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1014 1 60 CYS QB 1 79 CYS H 6.000 . 6.000 4.596 4.248 5.490 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1015 1 60 CYS QB 1 79 CYS HA 5.000 . 5.000 4.446 3.895 5.002 0.002 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
1016 1 60 CYS QB 1 79 CYS QB 5.000 . 5.000 2.019 1.645 2.897 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1017 1 61 ARG H 1 61 ARG QG 5.000 . 5.000 3.636 2.241 4.244 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1018 1 61 ARG H 1 62 ILE H 5.000 . 5.000 4.384 4.335 4.412 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1019 1 61 ARG HA 1 62 ILE H 3.500 . 3.500 2.519 2.334 2.629 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1020 1 61 ARG HA 1 62 ILE QG 6.000 . 6.000 4.608 3.116 5.831 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1021 1 61 ARG HA 1 62 ILE MG 6.000 . 6.000 4.536 3.216 5.447 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1022 1 61 ARG HA 1 62 ILE MD 6.000 . 6.000 3.818 1.990 5.865 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1023 1 61 ARG QB 1 62 ILE H 5.000 . 5.000 2.427 1.994 3.223 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1024 1 61 ARG QG 1 62 ILE H 4.000 . 4.000 2.959 1.801 4.068 0.068 23 0 "[ . 1 . 2 . 3 . 4 ]" 1
1025 1 61 ARG HE 1 62 ILE H 6.000 . 6.000 4.724 3.913 5.971 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1026 1 61 ARG QH 1 62 ILE H 6.000 . 6.000 5.403 4.679 6.024 0.024 16 0 "[ . 1 . 2 . 3 . 4 ]" 1
1027 1 61 ARG QB 1 63 ALA MB 6.000 . 6.000 5.696 5.502 6.075 0.075 35 0 "[ . 1 . 2 . 3 . 4 ]" 1
1028 1 61 ARG HE 1 63 ALA MB 6.000 . 6.000 6.382 5.525 7.010 1.010 8 19 "[ ** . *+** **-.** *2*** * 3 * *. 4* ]" 1
1029 1 61 ARG QH 1 63 ALA MB 6.000 . 6.000 6.558 5.755 7.013 1.013 9 29 "[ *******+* * **** ******* * ***-*. 4** ]" 1
1030 1 61 ARG H 1 69 ASP HA 6.000 . 6.000 5.872 5.725 6.055 0.055 13 0 "[ . 1 . 2 . 3 . 4 ]" 1
1031 1 61 ARG QB 1 69 ASP HA 6.000 . 6.000 5.697 5.386 6.499 0.499 5 0 "[ . 1 . 2 . 3 . 4 ]" 1
1032 1 61 ARG H 1 70 ASP H 5.000 . 5.000 3.748 3.556 4.142 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1033 1 61 ARG H 1 70 ASP QB 6.000 . 6.000 1.760 1.610 2.273 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1034 1 61 ARG QB 1 70 ASP HA 6.000 . 6.000 4.431 4.124 6.058 0.058 35 0 "[ . 1 . 2 . 3 . 4 ]" 1
1035 1 61 ARG QB 1 70 ASP QB 4.500 . 4.500 2.060 1.863 3.367 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1036 1 61 ARG QG 1 70 ASP HA 6.000 . 6.000 5.980 4.058 6.604 0.604 26 7 "[ . 1 . * 2- .+ * 3 .** *4 ]" 1
1037 1 61 ARG QG 1 70 ASP QB 6.000 . 6.000 3.415 1.701 3.961 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1038 1 61 ARG HE 1 70 ASP QB 6.000 . 6.000 3.492 2.510 4.162 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1039 1 61 ARG QH 1 70 ASP H 6.000 . 6.000 6.261 5.850 6.563 0.563 2 4 "[*+ . * 1 . 2 . 3 - . 4 ]" 1
1040 1 61 ARG QH 1 70 ASP QB 5.000 . 5.000 3.846 3.446 4.259 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1041 1 61 ARG H 1 71 TYR HA 5.000 . 5.000 4.467 4.251 4.641 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1042 1 61 ARG H 1 72 CYS H 6.000 . 6.000 5.897 5.675 6.028 0.028 5 0 "[ . 1 . 2 . 3 . 4 ]" 1
1043 1 61 ARG HE 1 79 CYS QB 6.000 . 6.000 4.934 3.537 5.977 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1044 1 61 ARG QH 1 79 CYS H 6.000 . 6.000 3.420 2.794 3.953 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1045 1 61 ARG QH 1 79 CYS HA 6.000 . 6.000 4.751 4.372 5.242 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1046 1 61 ARG QH 1 79 CYS QB 5.000 . 5.000 3.271 2.400 4.539 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1047 1 61 ARG QH 1 80 PRO HA 6.000 . 6.000 3.065 2.554 3.560 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1048 1 61 ARG QH 1 80 PRO QB 6.000 . 6.000 4.526 4.101 4.941 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1049 1 61 ARG QB 1 81 TRP HE3 6.000 . 6.000 3.223 2.446 5.597 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1050 1 61 ARG QB 1 81 TRP HH2 6.000 . 6.000 5.952 4.495 7.065 1.065 21 16 "[ . *1* - * 2+ *.***** * .** *4 *]" 1
1051 1 61 ARG QB 1 81 TRP HZ3 6.000 . 6.000 4.220 2.504 5.950 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1052 1 61 ARG QG 1 81 TRP HH2 6.000 . 6.000 5.960 4.546 7.003 1.003 15 11 "[ - *1 + * 2* .* **3 .** *4 ]" 1
1053 1 61 ARG QG 1 81 TRP HZ3 6.000 . 6.000 4.383 2.509 6.219 0.219 5 0 "[ . 1 . 2 . 3 . 4 ]" 1
1054 1 61 ARG QD 1 81 TRP H 6.000 . 6.000 5.986 5.429 6.058 0.058 9 0 "[ . 1 . 2 . 3 . 4 ]" 1
1055 1 61 ARG QD 1 81 TRP HE3 5.000 . 5.000 3.412 2.723 4.814 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1056 1 61 ARG QD 1 81 TRP HZ2 6.000 . 6.000 5.566 4.763 6.019 0.019 30 0 "[ . 1 . 2 . 3 . 4 ]" 1
1057 1 61 ARG QD 1 81 TRP HZ3 5.000 . 5.000 2.918 2.038 4.213 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1058 1 61 ARG HE 1 81 TRP H 6.000 . 6.000 4.292 3.398 4.537 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1059 1 61 ARG HE 1 81 TRP HA 5.000 . 5.000 4.234 3.075 5.024 0.024 43 0 "[ . 1 . 2 . 3 . 4 ]" 1
1060 1 61 ARG HE 1 81 TRP HD1 6.000 . 6.000 5.354 3.353 6.033 0.033 10 0 "[ . 1 . 2 . 3 . 4 ]" 1
1061 1 61 ARG HE 1 81 TRP HE1 6.000 . 6.000 5.401 4.099 5.829 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1062 1 61 ARG HE 1 81 TRP HH2 6.000 . 6.000 4.492 4.044 5.621 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1063 1 61 ARG HE 1 81 TRP HZ2 5.000 . 5.000 5.030 4.735 5.094 0.094 29 0 "[ . 1 . 2 . 3 . 4 ]" 1
1064 1 61 ARG HE 1 81 TRP HZ3 5.000 . 5.000 3.287 2.617 5.026 0.026 21 0 "[ . 1 . 2 . 3 . 4 ]" 1
1065 1 61 ARG QH 1 81 TRP H 5.000 . 5.000 2.760 2.420 4.013 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1066 1 61 ARG QH 1 81 TRP HA 4.000 . 4.000 3.963 3.572 4.094 0.094 21 0 "[ . 1 . 2 . 3 . 4 ]" 1
1067 1 61 ARG QH 1 81 TRP QB 6.000 . 6.000 3.506 2.246 4.455 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1068 1 61 ARG QH 1 81 TRP HD1 5.000 . 5.000 3.815 2.035 5.014 0.014 4 0 "[ . 1 . 2 . 3 . 4 ]" 1
1069 1 61 ARG QH 1 81 TRP HE1 5.000 . 5.000 3.818 2.688 4.747 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1070 1 61 ARG QH 1 81 TRP HE3 5.000 . 5.000 3.753 3.277 5.001 0.001 5 0 "[ . 1 . 2 . 3 . 4 ]" 1
1071 1 61 ARG QH 1 81 TRP HH2 6.000 . 6.000 4.361 2.903 6.060 0.060 9 0 "[ . 1 . 2 . 3 . 4 ]" 1
1072 1 61 ARG QH 1 81 TRP HZ2 5.000 . 5.000 4.068 2.909 5.030 0.030 9 0 "[ . 1 . 2 . 3 . 4 ]" 1
1073 1 61 ARG QH 1 81 TRP HZ3 6.000 . 6.000 4.275 3.339 6.002 0.002 9 0 "[ . 1 . 2 . 3 . 4 ]" 1
1074 1 61 ARG HE 1 82 ASN H 6.000 . 6.000 6.323 5.716 6.798 0.798 4 15 "[** +.* * *.-* * * 3** . * * * ]" 1
1075 1 61 ARG QH 1 82 ASN H 6.000 . 6.000 4.929 4.239 5.810 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1076 1 62 ILE H 1 62 ILE QG 5.000 . 5.000 3.779 2.416 4.446 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1077 1 62 ILE H 1 62 ILE MD 5.000 . 5.000 3.193 1.943 4.397 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1078 1 62 ILE H 1 63 ALA H 4.000 . 4.000 4.043 4.016 4.086 0.086 29 0 "[ . 1 . 2 . 3 . 4 ]" 1
1079 1 62 ILE H 1 63 ALA MB 6.000 . 6.000 5.237 5.102 5.307 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1080 1 62 ILE HA 1 63 ALA H 3.500 . 3.500 2.145 2.122 2.166 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1081 1 62 ILE HA 1 63 ALA MB 4.000 . 4.000 3.930 3.902 3.989 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1082 1 62 ILE HB 1 63 ALA H 4.000 . 4.000 3.987 3.429 4.098 0.098 29 0 "[ . 1 . 2 . 3 . 4 ]" 1
1083 1 62 ILE QG 1 63 ALA H 5.000 . 5.000 3.838 2.625 4.805 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1084 1 62 ILE MG 1 63 ALA H 4.000 . 4.000 3.110 2.231 4.055 0.055 35 0 "[ . 1 . 2 . 3 . 4 ]" 1
1085 1 62 ILE MG 1 63 ALA HA 5.000 . 5.000 4.551 4.012 5.054 0.054 25 0 "[ . 1 . 2 . 3 . 4 ]" 1
1086 1 62 ILE MG 1 63 ALA MB 6.000 . 6.000 4.025 3.274 4.881 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1087 1 62 ILE MD 1 63 ALA H 5.000 . 5.000 3.651 1.951 4.892 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1088 1 62 ILE MD 1 63 ALA HA 6.000 . 6.000 5.202 3.507 6.362 0.362 25 0 "[ . 1 . 2 . 3 . 4 ]" 1
1089 1 62 ILE MD 1 63 ALA MB 6.000 . 6.000 4.628 2.433 5.855 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1090 1 62 ILE QG 1 64 ARG H 6.000 . 6.000 4.678 2.422 6.043 0.043 1 0 "[ . 1 . 2 . 3 . 4 ]" 1
1091 1 62 ILE MG 1 64 ARG H 5.000 . 5.000 3.725 2.573 5.009 0.009 8 0 "[ . 1 . 2 . 3 . 4 ]" 1
1092 1 62 ILE MG 1 64 ARG HA 6.000 . 6.000 4.012 2.998 5.062 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1093 1 62 ILE MG 1 64 ARG QB 6.000 . 6.000 5.211 4.453 5.896 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1094 1 62 ILE MG 1 64 ARG QD 6.000 . 6.000 4.995 3.442 6.514 0.514 13 1 "[ . 1 + . 2 . 3 . 4 ]" 1
1095 1 62 ILE MD 1 64 ARG H 6.000 . 6.000 4.761 1.971 6.036 0.036 33 0 "[ . 1 . 2 . 3 . 4 ]" 1
1096 1 62 ILE MD 1 64 ARG HA 6.000 . 6.000 5.220 2.830 6.028 0.028 5 0 "[ . 1 . 2 . 3 . 4 ]" 1
1097 1 62 ILE MD 1 64 ARG QB 6.000 . 6.000 6.189 3.915 7.133 1.133 25 26 "[** **** * * **** ** ** + *3****. * -** ]" 1
1098 1 62 ILE MD 1 64 ARG QD 6.000 . 6.000 5.781 5.220 6.031 0.031 29 0 "[ . 1 . 2 . 3 . 4 ]" 1
1099 1 62 ILE QG 1 65 GLY H 6.000 . 6.000 4.142 2.380 5.944 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1100 1 62 ILE MG 1 65 GLY H 6.000 . 6.000 3.258 2.188 6.027 0.027 39 0 "[ . 1 . 2 . 3 . 4 ]" 1
1101 1 62 ILE MD 1 65 GLY H 6.000 . 6.000 4.533 2.852 5.708 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1102 1 62 ILE MG 1 66 ASP H 6.000 . 6.000 5.217 2.880 6.929 0.929 21 13 "[ - . *1* . * 2+ *.*** * .** *4 ]" 1
1103 1 62 ILE MG 1 66 ASP HA 6.000 . 6.000 4.256 2.878 6.025 0.025 30 0 "[ . 1 . 2 . 3 . 4 ]" 1
1104 1 62 ILE MG 1 66 ASP QB 6.000 . 6.000 5.203 3.547 6.917 0.917 27 8 "[ . 1- . * 2* .*+* 3 .** 4 ]" 1
1105 1 62 ILE HA 1 67 TRP HD1 6.000 . 6.000 5.267 5.071 5.889 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1106 1 62 ILE MG 1 67 TRP H 6.000 . 6.000 4.968 3.627 6.908 0.908 43 14 "[ - . *1* . * 2* *.*** * .** *4 +]" 1
1107 1 62 ILE MG 1 67 TRP HD1 6.000 . 6.000 5.046 3.712 6.917 0.917 43 16 "[ - . **1* * . * 2* *.*** * .** *4 +]" 1
1108 1 62 ILE HA 1 69 ASP HA 5.000 . 5.000 2.861 2.547 3.250 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1109 1 62 ILE HA 1 69 ASP QB 5.000 . 5.000 4.572 4.238 5.000 . 1 0 "[ . 1 . 2 . 3 . 4 ]" 1
1110 1 62 ILE MD 1 69 ASP HA 6.000 . 6.000 3.616 1.815 5.849 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1111 1 62 ILE MG 1 81 TRP QB 6.000 . 6.000 5.454 5.164 6.077 0.077 35 0 "[ . 1 . 2 . 3 . 4 ]" 1
1112 1 62 ILE MG 1 81 TRP HE3 6.000 . 6.000 5.887 5.393 6.552 0.552 21 1 "[ . 1 . 2+ . 3 . 4 ]" 1
1113 1 62 ILE MD 1 81 TRP HA 6.000 . 6.000 5.772 4.811 6.132 0.132 16 0 "[ . 1 . 2 . 3 . 4 ]" 1
1114 1 62 ILE MD 1 81 TRP QB 6.000 . 6.000 5.461 4.074 6.400 0.400 25 0 "[ . 1 . 2 . 3 . 4 ]" 1
1115 1 62 ILE MD 1 81 TRP HE3 6.000 . 6.000 5.674 4.985 6.729 0.729 5 2 "[ + 1 . 2 - 3 . 4 ]" 1
1116 1 63 ALA H 1 64 ARG H 4.000 . 4.000 3.208 2.957 3.470 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1117 1 63 ALA HA 1 64 ARG H 3.500 . 3.500 3.552 3.528 3.576 0.076 39 0 "[ . 1 . 2 . 3 . 4 ]" 1
1118 1 63 ALA MB 1 64 ARG H 4.000 . 4.000 2.039 1.835 2.295 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1119 1 63 ALA MB 1 64 ARG QD 5.000 . 5.000 4.434 2.248 5.049 0.049 23 0 "[ . 1 . 2 . 3 . 4 ]" 1
1120 1 63 ALA MB 1 65 GLY H 5.000 . 5.000 4.395 3.647 4.532 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1121 1 63 ALA MB 1 65 GLY QA 6.000 . 6.000 5.000 4.761 5.309 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1122 1 63 ALA MB 1 66 ASP H 6.000 . 6.000 5.331 3.709 5.512 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1123 1 63 ALA MB 1 66 ASP HA 6.000 . 6.000 5.762 4.499 5.971 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1124 1 63 ALA MB 1 66 ASP QB 6.000 . 6.000 6.843 5.885 7.003 1.003 33 41 "[ *********** *******************+*********-]" 1
1125 1 63 ALA HA 1 67 TRP HD1 6.000 . 6.000 5.991 5.830 6.088 0.088 43 0 "[ . 1 . 2 . 3 . 4 ]" 1
1126 1 63 ALA HA 1 67 TRP HE1 5.000 . 5.000 4.172 3.990 4.345 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1127 1 63 ALA MB 1 67 TRP H 5.000 . 5.000 4.794 4.061 4.906 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1128 1 63 ALA MB 1 67 TRP QB 5.000 . 5.000 4.827 4.672 5.021 0.021 35 0 "[ . 1 . 2 . 3 . 4 ]" 1
1129 1 63 ALA MB 1 67 TRP HD1 5.000 . 5.000 3.129 2.834 3.293 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1130 1 63 ALA MB 1 67 TRP HE1 5.500 . 5.500 1.764 1.624 1.814 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1131 1 63 ALA MB 1 67 TRP HE3 6.000 . 6.000 5.828 5.511 6.190 0.190 1 0 "[ . 1 . 2 . 3 . 4 ]" 1
1132 1 63 ALA MB 1 67 TRP HZ2 6.000 . 6.000 2.746 2.136 3.436 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1133 1 63 ALA H 1 68 ASN H 6.000 . 6.000 5.417 5.271 5.575 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1134 1 63 ALA H 1 68 ASN QB 6.000 . 6.000 5.633 5.513 5.924 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1135 1 63 ALA H 1 68 ASN QD 6.000 . 6.000 5.306 5.080 5.456 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1136 1 63 ALA MB 1 68 ASN H 5.000 . 5.000 4.607 4.353 4.739 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1137 1 63 ALA MB 1 68 ASN QB 5.000 . 5.000 4.937 4.587 5.057 0.057 43 0 "[ . 1 . 2 . 3 . 4 ]" 1
1138 1 63 ALA MB 1 68 ASN QD 5.000 . 5.000 3.970 3.788 4.193 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1139 1 63 ALA H 1 69 ASP HA 4.000 . 4.000 3.709 3.342 4.018 0.018 5 0 "[ . 1 . 2 . 3 . 4 ]" 1
1140 1 63 ALA H 1 69 ASP QB 6.000 . 6.000 5.696 5.364 5.967 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1141 1 63 ALA MB 1 69 ASP H 5.000 . 5.000 4.332 4.067 4.566 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1142 1 63 ALA MB 1 69 ASP HA 5.000 . 5.000 4.696 4.395 5.007 0.007 9 0 "[ . 1 . 2 . 3 . 4 ]" 1
1143 1 63 ALA MB 1 69 ASP QB 6.000 . 6.000 6.199 5.921 6.455 0.455 9 0 "[ . 1 . 2 . 3 . 4 ]" 1
1144 1 63 ALA MB 1 81 TRP HE3 6.000 . 6.000 4.292 3.471 4.800 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1145 1 63 ALA MB 1 81 TRP HZ3 6.000 . 6.000 5.144 3.604 6.023 0.023 3 0 "[ . 1 . 2 . 3 . 4 ]" 1
1146 1 63 ALA MB 1 83 HIS HD2 6.000 . 6.000 4.082 3.475 4.982 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1147 1 64 ARG H 1 64 ARG QG 5.000 . 5.000 4.333 3.652 4.558 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1148 1 64 ARG H 1 64 ARG QD 5.000 . 5.000 4.107 2.813 5.003 0.003 13 0 "[ . 1 . 2 . 3 . 4 ]" 1
1149 1 64 ARG H 1 65 GLY H 4.000 . 4.000 2.788 2.491 3.104 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1150 1 64 ARG H 1 65 GLY QA 6.000 . 6.000 3.986 3.917 4.364 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1151 1 64 ARG HA 1 65 GLY H 3.500 . 3.500 2.508 2.368 3.534 0.034 13 0 "[ . 1 . 2 . 3 . 4 ]" 1
1152 1 64 ARG HA 1 65 GLY QA 5.000 . 5.000 3.941 3.905 4.431 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1153 1 64 ARG QB 1 65 GLY H 4.000 . 4.000 3.881 1.884 4.025 0.025 27 0 "[ . 1 . 2 . 3 . 4 ]" 1
1154 1 64 ARG QG 1 65 GLY H 5.000 . 5.000 4.347 3.793 4.889 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1155 1 64 ARG QD 1 65 GLY H 5.000 . 5.000 4.286 3.663 5.030 0.030 11 0 "[ . 1 . 2 . 3 . 4 ]" 1
1156 1 64 ARG HA 1 66 ASP H 6.000 . 6.000 5.841 3.963 6.084 0.084 39 0 "[ . 1 . 2 . 3 . 4 ]" 1
1157 1 64 ARG H 1 67 TRP QB 6.000 . 6.000 6.040 5.946 6.099 0.099 39 0 "[ . 1 . 2 . 3 . 4 ]" 1
1158 1 64 ARG H 1 67 TRP HD1 6.000 . 6.000 4.385 4.257 4.610 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1159 1 64 ARG H 1 67 TRP HE1 5.000 . 5.000 1.976 1.884 2.901 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1160 1 64 ARG H 1 67 TRP HZ2 6.000 . 6.000 2.440 1.954 3.324 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1161 1 64 ARG HA 1 67 TRP HZ2 6.000 . 6.000 3.897 3.638 5.157 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1162 1 64 ARG QB 1 67 TRP HD1 6.000 . 6.000 6.502 5.975 6.943 0.943 5 21 "[ * + -*1* * ** 2* *.***** * *** 4* *]" 1
1163 1 64 ARG QB 1 67 TRP HE1 6.000 . 6.000 4.259 3.631 4.740 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1164 1 64 ARG QB 1 67 TRP HZ2 6.000 . 6.000 2.424 1.889 3.018 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1165 1 64 ARG QG 1 67 TRP HE1 6.000 . 6.000 5.887 5.264 6.361 0.361 5 0 "[ . 1 . 2 . 3 . 4 ]" 1
1166 1 64 ARG QG 1 67 TRP HZ2 6.000 . 6.000 4.283 4.115 4.761 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1167 1 64 ARG QD 1 67 TRP HZ2 6.000 . 6.000 4.640 3.260 5.148 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1168 1 64 ARG H 1 68 ASN QD 6.000 . 6.000 5.979 5.781 6.035 0.035 13 0 "[ . 1 . 2 . 3 . 4 ]" 1
1169 1 65 GLY H 1 66 ASP H 4.000 . 4.000 3.805 1.993 4.019 0.019 15 0 "[ . 1 . 2 . 3 . 4 ]" 1
1170 1 65 GLY QA 1 66 ASP HA 6.000 . 6.000 4.109 4.053 4.567 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1171 1 65 GLY QA 1 66 ASP QB 6.000 . 6.000 3.718 3.471 4.062 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1172 1 65 GLY QA 1 66 ASP H 3.000 . 3.000 2.181 2.096 2.900 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1173 1 65 GLY H 1 67 TRP HE1 6.000 . 6.000 4.067 3.914 4.358 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1174 1 65 GLY QA 1 67 TRP H 5.000 . 5.000 4.757 4.683 4.966 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1175 1 65 GLY QA 1 67 TRP HD1 6.000 . 6.000 5.697 5.540 6.006 0.006 39 0 "[ . 1 . 2 . 3 . 4 ]" 1
1176 1 65 GLY QA 1 67 TRP HE1 6.000 . 6.000 4.516 4.301 5.074 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1177 1 65 GLY QA 1 67 TRP HE3 6.000 . 6.000 4.817 3.698 5.009 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1178 1 65 GLY QA 1 67 TRP HZ2 6.000 . 6.000 3.494 3.249 4.003 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1179 1 65 GLY QA 1 67 TRP HZ3 6.000 . 6.000 4.287 2.831 4.549 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1180 1 65 GLY QA 1 67 TRP HH2 6.000 . 6.000 3.610 2.744 3.893 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1181 1 65 GLY QA 1 68 ASN QD 6.000 . 6.000 6.993 6.693 7.067 1.067 39 43 [****-*********************************+****] 1
1182 1 66 ASP H 1 67 TRP H 4.000 . 4.000 3.157 2.879 3.285 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1183 1 66 ASP H 1 67 TRP QB 6.000 . 6.000 4.458 4.265 5.027 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1184 1 66 ASP H 1 67 TRP HD1 5.500 . 5.500 4.726 4.107 4.915 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1185 1 66 ASP H 1 67 TRP HE1 6.000 . 6.000 4.393 3.543 4.606 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1186 1 66 ASP H 1 67 TRP HE3 5.000 . 5.000 4.115 3.920 5.043 0.043 5 0 "[ . 1 . 2 . 3 . 4 ]" 1
1187 1 66 ASP HA 1 67 TRP H 3.500 . 3.500 2.288 2.231 2.312 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1188 1 66 ASP HA 1 67 TRP HD1 5.500 . 5.500 4.450 4.193 4.550 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1189 1 66 ASP QB 1 67 TRP H 5.000 . 5.000 3.866 3.775 3.960 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1190 1 66 ASP QB 1 67 TRP HD1 6.000 . 6.000 6.003 5.909 6.043 0.043 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
1191 1 66 ASP QB 1 67 TRP HE3 6.000 . 6.000 5.876 5.570 6.394 0.394 15 0 "[ . 1 . 2 . 3 . 4 ]" 1
1192 1 66 ASP HA 1 68 ASN H 6.000 . 6.000 4.562 4.511 4.586 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1193 1 66 ASP QB 1 68 ASN H 6.000 . 6.000 5.856 5.699 6.016 0.016 5 0 "[ . 1 . 2 . 3 . 4 ]" 1
1194 1 67 TRP H 1 67 TRP HD1 5.000 . 5.000 2.486 2.328 2.617 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1195 1 67 TRP H 1 67 TRP HE3 6.000 . 6.000 4.711 4.578 4.782 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1196 1 67 TRP H 1 67 TRP HE1 6.000 . 6.000 3.907 3.786 3.993 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1197 1 67 TRP H 1 68 ASN H 4.000 . 4.000 2.447 2.417 2.471 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1198 1 67 TRP H 1 68 ASN QB 6.000 . 6.000 4.880 4.717 4.980 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1199 1 67 TRP HA 1 68 ASN H 3.500 . 3.500 3.530 3.524 3.533 0.033 23 0 "[ . 1 . 2 . 3 . 4 ]" 1
1200 1 67 TRP QB 1 68 ASN H 4.000 . 4.000 2.238 2.190 2.277 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1201 1 67 TRP HD1 1 68 ASN H 5.000 . 5.000 1.803 1.714 1.947 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1202 1 67 TRP HD1 1 68 ASN QB 5.500 . 5.500 3.584 3.427 3.672 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1203 1 67 TRP HE1 1 68 ASN QD 5.500 . 5.500 4.216 3.852 4.352 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1204 1 67 TRP HE3 1 68 ASN H 5.500 . 5.500 5.538 5.505 5.551 0.051 38 0 "[ . 1 . 2 . 3 . 4 ]" 1
1205 1 67 TRP HD1 1 70 ASP QB 6.000 . 6.000 6.760 6.653 6.985 0.985 5 43 [****+********************************-*****] 1
1206 1 67 TRP HE1 1 70 ASP QB 6.000 . 6.000 7.022 6.921 7.092 1.092 43 43 [***************************************-**+] 1
1207 1 67 TRP QB 1 83 HIS HD2 6.000 . 6.000 4.556 4.090 6.667 0.667 30 2 "[ . 1 . 2 . + . 4 -]" 1
1208 1 67 TRP HD1 1 83 HIS HA 6.000 . 6.000 6.010 5.887 6.035 0.035 29 0 "[ . 1 . 2 . 3 . 4 ]" 1
1209 1 67 TRP HD1 1 83 HIS QB 6.000 . 6.000 5.790 5.207 6.167 0.167 29 0 "[ . 1 . 2 . 3 . 4 ]" 1
1210 1 68 ASN H 1 68 ASN QD 5.000 . 5.000 1.999 1.815 2.121 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1211 1 68 ASN H 1 69 ASP H 4.000 . 4.000 1.968 1.903 2.199 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1212 1 68 ASN HA 1 69 ASP H 4.000 . 4.000 3.498 3.465 3.544 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1213 1 68 ASN QB 1 69 ASP H 5.000 . 5.000 2.719 2.387 2.929 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1214 1 68 ASN HA 1 70 ASP H 6.000 . 6.000 6.884 6.767 6.943 0.943 29 43 [****-***********************+**************] 1
1215 1 68 ASN HA 1 71 TYR QD 6.000 . 6.000 5.691 5.361 6.018 0.018 30 0 "[ . 1 . 2 . 3 . 4 ]" 1
1216 1 68 ASN HA 1 71 TYR QE 6.000 . 6.000 5.524 5.064 5.977 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1217 1 68 ASN QB 1 71 TYR QE 6.000 . 6.000 5.849 5.456 6.117 0.117 30 0 "[ . 1 . 2 . 3 . 4 ]" 1
1218 1 68 ASN H 1 82 ASN QD 6.000 . 6.000 6.524 5.570 7.014 1.014 31 28 "[* *** ** * -***** *2* * * *+ **** ***** ]" 1
1219 1 68 ASN QB 1 82 ASN QD 6.000 . 6.000 3.535 2.405 4.236 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1220 1 68 ASN HA 1 83 HIS HD2 6.000 . 6.000 5.153 4.665 7.014 1.014 30 3 "[ . 1 . 2 . *+ . 4 -]" 1
1221 1 68 ASN QB 1 83 HIS HE1 6.000 . 6.000 4.817 4.047 5.473 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1222 1 68 ASN QD 1 83 HIS H 6.000 . 6.000 5.366 4.804 5.640 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1223 1 69 ASP HA 1 70 ASP H 4.000 . 4.000 2.274 2.122 2.450 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1224 1 69 ASP HA 1 70 ASP QB 5.000 . 5.000 4.050 3.981 4.447 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1225 1 69 ASP QB 1 70 ASP H 4.000 . 4.000 2.738 2.160 3.210 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1226 1 69 ASP H 1 71 TYR QE 6.000 . 6.000 5.294 5.116 5.529 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1227 1 69 ASP HA 1 71 TYR QD 5.000 . 5.000 4.967 4.444 5.049 0.049 37 0 "[ . 1 . 2 . 3 . 4 ]" 1
1228 1 69 ASP HA 1 71 TYR QE 5.000 . 5.000 4.544 4.420 4.662 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1229 1 69 ASP QB 1 71 TYR QD 6.000 . 6.000 2.844 2.489 3.091 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1230 1 69 ASP QB 1 71 TYR QE 5.000 . 5.000 1.884 1.817 1.983 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1231 1 69 ASP H 1 81 TRP QB 6.000 . 6.000 5.107 4.663 5.647 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1232 1 69 ASP QB 1 82 ASN H 6.000 . 6.000 7.097 7.030 7.175 1.175 39 43 [**************************************+*-**] 1
1233 1 70 ASP H 1 71 TYR H 5.000 . 5.000 4.437 4.206 4.566 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1234 1 70 ASP HA 1 71 TYR H 3.000 . 3.000 2.158 2.121 2.187 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1235 1 70 ASP HA 1 71 TYR QB 5.000 . 5.000 4.157 4.073 4.222 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1236 1 70 ASP HA 1 71 TYR QD 5.000 . 5.000 4.084 3.647 4.162 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1237 1 70 ASP HA 1 71 TYR QE 5.500 . 5.500 5.565 5.507 5.602 0.102 8 0 "[ . 1 . 2 . 3 . 4 ]" 1
1238 1 70 ASP QB 1 71 TYR H 5.000 . 5.000 3.748 3.316 3.849 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1239 1 70 ASP QB 1 71 TYR QD 6.000 . 6.000 5.101 4.620 5.239 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1240 1 70 ASP QB 1 71 TYR QE 6.000 . 6.000 5.811 5.706 6.020 0.020 5 0 "[ . 1 . 2 . 3 . 4 ]" 1
1241 1 70 ASP QB 1 72 CYS H 6.000 . 6.000 5.954 5.752 6.144 0.144 21 0 "[ . 1 . 2 . 3 . 4 ]" 1
1242 1 70 ASP HA 1 80 PRO QG 6.000 . 6.000 4.635 4.409 4.942 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1243 1 70 ASP HA 1 80 PRO QD 6.000 . 6.000 5.226 4.978 5.873 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1244 1 70 ASP QB 1 80 PRO HA 6.000 . 6.000 5.271 5.036 5.481 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1245 1 70 ASP QB 1 80 PRO QG 6.000 . 6.000 5.772 5.399 5.887 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1246 1 70 ASP QB 1 80 PRO QD 6.000 . 6.000 5.665 5.437 6.009 0.009 9 0 "[ . 1 . 2 . 3 . 4 ]" 1
1247 1 70 ASP QB 1 81 TRP HA 5.000 . 5.000 1.978 1.753 2.230 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1248 1 70 ASP HA 1 81 TRP HD1 6.000 . 6.000 5.808 5.232 6.353 0.353 13 0 "[ . 1 . 2 . 3 . 4 ]" 1
1249 1 70 ASP HA 1 82 ASN QD 6.000 . 6.000 4.408 2.090 5.947 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1250 1 70 ASP HA 1 82 ASN H 6.000 . 6.000 4.089 3.747 4.575 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1251 1 70 ASP QB 1 82 ASN H 6.000 . 6.000 5.034 4.924 5.337 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1252 1 70 ASP HA 1 83 HIS HD2 6.000 . 6.000 6.164 4.124 7.018 1.018 33 13 "[ . *1* * * 2- *.*** 3 + .** *4 ]" 1
1253 1 71 TYR H 1 71 TYR QD 5.000 . 5.000 3.517 3.249 3.684 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1254 1 71 TYR H 1 71 TYR QE 6.000 . 6.000 5.438 5.300 5.551 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1255 1 71 TYR H 1 72 CYS H 4.500 . 4.500 4.380 4.330 4.466 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1256 1 71 TYR HA 1 72 CYS H 3.000 . 3.000 2.161 2.127 2.285 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1257 1 71 TYR HA 1 72 CYS QB 5.000 . 5.000 4.035 3.994 4.113 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1258 1 71 TYR QB 1 72 CYS H 4.000 . 4.000 2.869 2.479 3.091 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1259 1 71 TYR QD 1 72 CYS H 5.000 . 5.000 3.189 2.965 3.762 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1260 1 71 TYR QE 1 72 CYS H 6.000 . 6.000 5.360 5.193 5.552 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1261 1 71 TYR H 1 73 THR MG 6.000 . 6.000 5.055 4.920 5.522 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1262 1 71 TYR QB 1 73 THR HA 5.000 . 5.000 5.002 4.912 5.042 0.042 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
1263 1 71 TYR QB 1 73 THR MG 6.000 . 6.000 4.302 4.251 4.451 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1264 1 71 TYR QD 1 73 THR MG 6.000 . 6.000 6.024 5.989 6.044 0.044 3 0 "[ . 1 . 2 . 3 . 4 ]" 1
1265 1 71 TYR H 1 80 PRO QB 5.000 . 5.000 4.406 4.015 4.668 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1266 1 71 TYR H 1 80 PRO QG 5.000 . 5.000 3.358 3.141 3.579 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1267 1 71 TYR H 1 80 PRO QD 5.000 . 5.000 3.831 3.540 4.405 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1268 1 71 TYR QD 1 80 PRO QD 6.000 . 6.000 6.115 6.005 6.405 0.405 9 0 "[ . 1 . 2 . 3 . 4 ]" 1
1269 1 71 TYR H 1 82 ASN QD 6.000 . 6.000 4.066 1.857 5.993 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1270 1 72 CYS H 1 73 THR H 5.000 . 5.000 4.617 4.500 4.638 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1271 1 72 CYS H 1 73 THR HA 6.000 . 6.000 5.401 5.157 5.472 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1272 1 72 CYS H 1 73 THR MG 6.000 . 6.000 4.858 4.809 4.994 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1273 1 72 CYS HA 1 73 THR H 4.000 . 4.000 2.418 2.380 2.665 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1274 1 72 CYS HA 1 73 THR HA 5.000 . 5.000 4.423 4.393 4.462 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1275 1 72 CYS HA 1 73 THR MG 5.000 . 5.000 3.303 3.068 3.519 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1276 1 72 CYS QB 1 73 THR H 5.000 . 5.000 3.050 2.225 3.337 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1277 1 72 CYS H 1 74 GLY H 6.000 . 6.000 5.434 5.196 5.771 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1278 1 72 CYS HA 1 74 GLY H 5.000 . 5.000 4.022 3.934 4.297 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1279 1 72 CYS QB 1 74 GLY H 5.000 . 5.000 2.966 2.311 3.666 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1280 1 72 CYS HA 1 76 SER H 6.000 . 6.000 6.076 5.802 6.346 0.346 7 0 "[ . 1 . 2 . 3 . 4 ]" 1
1281 1 72 CYS HA 1 79 CYS HA 5.000 . 5.000 2.565 2.248 2.947 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1282 1 72 CYS H 1 80 PRO QG 6.000 . 6.000 5.558 4.931 5.856 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1283 1 72 CYS H 1 80 PRO QD 6.000 . 6.000 4.582 4.129 4.829 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1284 1 72 CYS HA 1 80 PRO QD 5.000 . 5.000 2.770 1.950 3.260 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1285 1 73 THR H 1 74 GLY H 4.000 . 4.000 2.101 1.924 2.241 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1286 1 73 THR H 1 74 GLY QA 5.000 . 5.000 3.969 3.866 4.059 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1287 1 73 THR HA 1 74 GLY H 4.000 . 4.000 3.224 3.135 3.408 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1288 1 73 THR HB 1 74 GLY H 5.000 . 5.000 4.434 4.141 4.527 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1289 1 73 THR MG 1 74 GLY H 5.000 . 5.000 4.109 3.994 4.259 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1290 1 73 THR H 1 75 LYS H 5.000 . 5.000 3.391 3.282 3.609 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1291 1 73 THR H 1 75 LYS QB 6.000 . 6.000 5.217 4.748 5.923 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1292 1 73 THR H 1 75 LYS QG 6.000 . 6.000 5.148 4.095 5.699 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1293 1 73 THR HA 1 75 LYS H 5.000 . 5.000 4.371 4.263 4.499 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1294 1 73 THR HA 1 75 LYS QB 6.000 . 6.000 5.268 4.916 5.609 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1295 1 73 THR HA 1 75 LYS QG 5.000 . 5.000 4.565 4.139 5.008 0.008 8 0 "[ . 1 . 2 . 3 . 4 ]" 1
1296 1 73 THR HB 1 75 LYS H 6.000 . 6.000 4.016 3.406 4.266 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1297 1 73 THR HB 1 75 LYS QB 6.000 . 6.000 3.803 3.077 4.251 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1298 1 73 THR HB 1 75 LYS QG 5.000 . 5.000 3.424 2.302 4.374 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1299 1 73 THR HB 1 75 LYS QD 5.000 . 5.000 4.198 1.835 5.010 0.010 4 0 "[ . 1 . 2 . 3 . 4 ]" 1
1300 1 73 THR HB 1 75 LYS QE 5.000 . 5.000 4.212 2.894 5.005 0.005 23 0 "[ . 1 . 2 . 3 . 4 ]" 1
1301 1 73 THR MG 1 75 LYS H 5.000 . 5.000 4.255 4.145 4.528 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1302 1 73 THR MG 1 75 LYS QB 5.000 . 5.000 4.406 4.087 5.020 0.020 29 0 "[ . 1 . 2 . 3 . 4 ]" 1
1303 1 73 THR MG 1 75 LYS QE 6.000 . 6.000 5.050 3.003 5.991 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1304 1 73 THR MG 1 75 LYS QZ 6.000 . 6.000 4.594 3.143 6.001 0.001 31 0 "[ . 1 . 2 . 3 . 4 ]" 1
1305 1 73 THR H 1 76 SER H 5.000 . 5.000 4.121 3.844 4.366 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1306 1 73 THR H 1 76 SER QB 6.000 . 6.000 5.073 4.656 5.901 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1307 1 73 THR MG 1 76 SER H 5.000 . 5.000 4.920 4.360 5.023 0.023 24 0 "[ . 1 . 2 . 3 . 4 ]" 1
1308 1 73 THR MG 1 76 SER QB 5.000 . 5.000 4.453 3.993 5.005 0.005 19 0 "[ . 1 . 2 . 3 . 4 ]" 1
1309 1 73 THR H 1 79 CYS HA 6.000 . 6.000 4.246 3.975 4.452 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1310 1 73 THR MG 1 79 CYS H 6.000 . 6.000 5.943 5.528 6.040 0.040 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
1311 1 73 THR MG 1 79 CYS HA 5.000 . 5.000 3.914 3.671 4.162 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1312 1 73 THR H 1 80 PRO QB 6.000 . 6.000 6.749 6.586 7.018 1.018 4 43 [***+***********-***************************] 1
1313 1 73 THR H 1 80 PRO QG 6.000 . 6.000 5.001 4.839 5.326 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1314 1 73 THR H 1 80 PRO QD 6.000 . 6.000 3.843 3.656 4.085 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1315 1 73 THR MG 1 80 PRO QB 4.000 . 4.000 4.019 3.858 4.041 0.041 29 0 "[ . 1 . 2 . 3 . 4 ]" 1
1316 1 73 THR MG 1 80 PRO QG 4.000 . 4.000 2.465 2.320 2.508 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1317 1 73 THR MG 1 80 PRO QD 5.000 . 5.000 2.488 2.349 2.649 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1318 1 74 GLY H 1 75 LYS H 4.000 . 4.000 2.778 2.601 2.857 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1319 1 74 GLY QA 1 75 LYS H 4.000 . 4.000 2.861 2.825 2.927 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1320 1 74 GLY H 1 75 LYS QB 6.000 . 6.000 5.063 4.788 5.181 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1321 1 74 GLY H 1 75 LYS QG 6.000 . 6.000 4.600 4.163 5.041 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1322 1 74 GLY H 1 76 SER H 4.000 . 4.000 3.892 3.370 4.013 0.013 13 0 "[ . 1 . 2 . 3 . 4 ]" 1
1323 1 74 GLY QA 1 76 SER H 5.000 . 5.000 3.754 3.626 4.142 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1324 1 75 LYS H 1 75 LYS QG 5.000 . 5.000 2.904 2.259 3.265 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1325 1 75 LYS H 1 75 LYS QD 6.000 . 6.000 4.281 2.620 4.979 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1326 1 75 LYS H 1 76 SER H 3.000 . 3.000 1.931 1.787 2.143 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1327 1 75 LYS H 1 76 SER HA 5.000 . 5.000 4.608 4.509 4.751 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1328 1 75 LYS H 1 76 SER QB 5.000 . 5.000 4.052 3.747 4.722 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1329 1 75 LYS HA 1 76 SER H 4.000 . 4.000 3.264 3.109 3.500 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1330 1 75 LYS QB 1 76 SER H 5.000 . 5.000 3.494 2.766 3.959 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1331 1 75 LYS QB 1 76 SER QB 6.000 . 6.000 3.736 3.306 4.794 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1332 1 75 LYS QG 1 76 SER H 5.000 . 5.000 4.067 2.221 4.497 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1333 1 75 LYS QG 1 76 SER QB 6.000 . 6.000 4.908 2.548 5.826 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1334 1 75 LYS QZ 1 76 SER H 6.000 . 6.000 5.742 4.776 6.003 0.003 28 0 "[ . 1 . 2 . 3 . 4 ]" 1
1335 1 75 LYS H 1 77 SER H 6.000 . 6.000 6.225 6.153 6.368 0.368 11 0 "[ . 1 . 2 . 3 . 4 ]" 1
1336 1 76 SER H 1 77 SER H 5.000 . 5.000 4.368 4.326 4.427 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1337 1 76 SER HA 1 77 SER H 3.000 . 3.000 2.464 2.379 2.533 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1338 1 76 SER HA 1 77 SER QB 6.000 . 6.000 4.404 4.063 4.896 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1339 1 76 SER QB 1 77 SER H 4.000 . 4.000 2.536 2.146 3.173 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1340 1 76 SER H 1 78 ASP H 6.000 . 6.000 4.308 4.046 4.490 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1341 1 76 SER HA 1 78 ASP H 4.000 . 4.000 3.994 3.931 4.026 0.026 38 0 "[ . 1 . 2 . 3 . 4 ]" 1
1342 1 76 SER QB 1 78 ASP H 4.000 . 4.000 2.339 2.107 2.997 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1343 1 76 SER QB 1 78 ASP QB 6.000 . 6.000 3.075 2.752 3.768 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1344 1 77 SER H 1 78 ASP H 3.000 . 3.000 2.622 2.578 2.668 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1345 1 77 SER H 1 78 ASP QB 5.000 . 5.000 4.279 3.911 4.595 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1346 1 77 SER HA 1 78 ASP H 4.000 . 4.000 3.155 3.143 3.235 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1347 1 77 SER QB 1 78 ASP H 5.000 . 5.000 3.819 3.588 3.960 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1348 1 78 ASP H 1 79 CYS H 5.000 . 5.000 4.472 4.313 4.542 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1349 1 78 ASP H 1 79 CYS HA 6.000 . 6.000 5.046 4.924 5.154 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1350 1 78 ASP HA 1 79 CYS H 3.000 . 3.000 2.200 2.121 2.308 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1351 1 78 ASP HA 1 79 CYS HA 5.000 . 5.000 4.401 4.384 4.436 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1352 1 78 ASP HA 1 79 CYS QB 5.000 . 5.000 3.971 3.863 4.248 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1353 1 78 ASP QB 1 79 CYS H 4.000 . 4.000 2.938 2.597 3.623 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1354 1 78 ASP QB 1 79 CYS HA 6.000 . 6.000 4.208 4.058 4.598 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1355 1 78 ASP QB 1 80 PRO HA 5.000 . 5.000 4.848 4.722 5.003 0.003 17 0 "[ . 1 . 2 . 3 . 4 ]" 1
1356 1 78 ASP QB 1 80 PRO QD 6.000 . 6.000 3.512 3.295 3.982 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1357 1 79 CYS H 1 80 PRO QD 5.000 . 5.000 3.865 3.655 4.014 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1358 1 79 CYS HA 1 80 PRO HA 5.000 . 5.000 4.566 4.551 4.600 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1359 1 79 CYS HA 1 80 PRO QB 5.000 . 5.000 4.674 4.638 4.742 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1360 1 79 CYS HA 1 80 PRO QG 5.000 . 5.000 3.836 3.726 3.879 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1361 1 79 CYS HA 1 80 PRO QD 4.000 . 4.000 1.926 1.848 1.969 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1362 1 79 CYS QB 1 80 PRO QD 5.000 . 5.000 3.679 3.389 3.786 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1363 1 80 PRO HA 1 81 TRP H 3.500 . 3.500 2.165 2.137 2.371 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1364 1 80 PRO HA 1 81 TRP QB 5.000 . 5.000 4.673 4.387 4.828 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1365 1 80 PRO HA 1 81 TRP HD1 4.500 . 4.500 3.789 2.501 4.478 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1366 1 80 PRO HA 1 81 TRP HE1 6.000 . 6.000 4.925 4.273 5.437 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1367 1 80 PRO QB 1 81 TRP H 4.000 . 4.000 3.229 2.628 3.341 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1368 1 80 PRO QB 1 81 TRP QB 6.000 . 6.000 4.956 4.543 5.224 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1369 1 80 PRO QG 1 81 TRP QB 6.000 . 6.000 5.976 5.902 6.058 0.058 35 0 "[ . 1 . 2 . 3 . 4 ]" 1
1370 1 80 PRO QB 1 81 TRP HD1 6.000 . 6.000 4.204 3.762 4.620 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1371 1 80 PRO QB 1 81 TRP HE1 6.000 . 6.000 5.642 5.115 6.031 0.031 29 0 "[ . 1 . 2 . 3 . 4 ]" 1
1372 1 80 PRO QG 1 81 TRP H 5.000 . 5.000 4.610 4.292 4.690 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1373 1 80 PRO QG 1 81 TRP HD1 6.000 . 6.000 5.962 5.368 6.450 0.450 13 0 "[ . 1 . 2 . 3 . 4 ]" 1
1374 1 80 PRO QD 1 81 TRP H 6.000 . 6.000 4.980 4.960 5.009 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1375 1 80 PRO HA 1 82 ASN H 5.000 . 5.000 3.677 3.548 4.200 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1376 1 80 PRO QB 1 82 ASN H 5.000 . 5.000 2.726 2.216 3.220 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1377 1 80 PRO QB 1 82 ASN QD 6.000 . 6.000 4.263 2.250 5.538 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1378 1 80 PRO QG 1 82 ASN H 5.000 . 5.000 4.244 3.481 4.913 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1379 1 80 PRO QD 1 82 ASN H 6.000 . 6.000 5.490 4.937 5.936 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1380 1 80 PRO QG 1 82 ASN QD 5.000 . 5.000 4.080 2.697 5.008 0.008 23 0 "[ . 1 . 2 . 3 . 4 ]" 1
1381 1 81 TRP H 1 81 TRP HD1 5.000 . 5.000 2.270 1.629 2.729 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1382 1 81 TRP H 1 81 TRP HE1 5.000 . 5.000 3.945 3.809 4.321 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1383 1 81 TRP H 1 82 ASN H 4.000 . 4.000 2.521 2.143 2.837 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1384 1 81 TRP HA 1 82 ASN H 3.500 . 3.500 3.384 3.093 3.470 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1385 1 81 TRP HA 1 82 ASN QB 6.000 . 6.000 4.040 3.842 4.293 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1386 1 81 TRP QB 1 82 ASN H 5.000 . 5.000 3.295 2.578 3.910 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1387 1 81 TRP HD1 1 82 ASN H 5.000 . 5.000 2.937 1.803 4.102 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1388 1 81 TRP HD1 1 82 ASN HA 6.000 . 6.000 4.800 3.526 6.020 0.020 5 0 "[ . 1 . 2 . 3 . 4 ]" 1
1389 1 81 TRP HE1 1 82 ASN H 6.000 . 6.000 5.215 4.156 6.233 0.233 5 0 "[ . 1 . 2 . 3 . 4 ]" 1
1390 1 81 TRP HE3 1 82 ASN H 6.000 . 6.000 6.091 6.046 6.148 0.148 27 0 "[ . 1 . 2 . 3 . 4 ]" 1
1391 1 81 TRP QB 1 83 HIS H 6.000 . 6.000 3.239 2.022 5.533 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1392 1 81 TRP HD1 1 83 HIS H 6.000 . 6.000 3.126 2.458 4.665 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1393 1 81 TRP HE3 1 83 HIS HE1 6.000 . 6.000 4.174 3.449 6.023 0.023 1 0 "[ . 1 . 2 . 3 . 4 ]" 1
1394 1 81 TRP HZ2 1 83 HIS QB 6.000 . 6.000 5.886 3.388 7.074 1.074 41 27 "[***-**** * ***.** ** ** * 3** ** * *+* ]" 1
1395 1 82 ASN H 1 82 ASN QD 5.000 . 5.000 4.175 2.201 5.002 0.002 38 0 "[ . 1 . 2 . 3 . 4 ]" 1
1396 1 82 ASN H 1 83 HIS H 4.000 . 4.000 2.526 2.143 3.544 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1397 1 82 ASN H 1 83 HIS HD2 6.000 . 6.000 5.018 3.321 5.808 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1398 1 82 ASN HA 1 83 HIS H 4.000 . 4.000 2.831 2.200 3.212 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1399 1 82 ASN HA 1 83 HIS HD2 6.000 . 6.000 4.945 3.893 5.394 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1400 1 82 ASN QB 1 83 HIS H 5.000 . 5.000 3.789 3.462 3.913 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1401 1 82 ASN QB 1 83 HIS HD2 5.000 . 5.000 3.583 2.670 4.314 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1402 1 82 ASN QB 1 83 HIS HE1 6.000 . 6.000 5.749 4.938 6.068 0.068 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
1403 1 83 HIS H 1 83 HIS HD2 5.000 . 5.000 3.743 2.274 4.360 . 0 0 "[ . 1 . 2 . 3 . 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 24
_Distance_constraint_stats_list.Viol_count 83
_Distance_constraint_stats_list.Viol_total 250.803
_Distance_constraint_stats_list.Viol_max 0.621
_Distance_constraint_stats_list.Viol_rms 0.0388
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0057
_Distance_constraint_stats_list.Viol_average_violations_only 0.0703
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 4 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 5 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 8 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 9 ILE 4.285 0.621 19 2 "[ - . 1 . +2 . 3 . 4 ]"
1 11 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 14 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 16 CYS 4.285 0.621 19 2 "[ - . 1 . +2 . 3 . 4 ]"
1 23 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 25 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 26 ASP 0.163 0.028 33 0 "[ . 1 . 2 . 3 . 4 ]"
1 29 CYS 0.163 0.028 33 0 "[ . 1 . 2 . 3 . 4 ]"
1 30 ASN 0.001 0.001 24 0 "[ . 1 . 2 . 3 . 4 ]"
1 31 ALA 0.163 0.028 33 0 "[ . 1 . 2 . 3 . 4 ]"
1 35 LYS 4.285 0.621 19 2 "[ - . 1 . +2 . 3 . 4 ]"
1 36 LEU 0.001 0.001 24 0 "[ . 1 . 2 . 3 . 4 ]"
1 49 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 53 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 54 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 55 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 56 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 57 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 58 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 59 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 60 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 66 ASP 1.384 0.051 38 0 "[ . 1 . 2 . 3 . 4 ]"
1 67 TRP 1.384 0.051 38 0 "[ . 1 . 2 . 3 . 4 ]"
1 69 ASP 1.384 0.051 38 0 "[ . 1 . 2 . 3 . 4 ]"
1 70 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 71 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 72 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 73 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 74 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 75 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 82 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 PRO QB 1 5 CYS H 6.000 . 6.000 4.996 4.555 5.614 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
2 1 3 PRO QB 1 5 CYS H 6.000 . 6.000 4.079 2.258 4.964 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
3 1 4 VAL QG 1 8 LYS H 6.000 . 6.000 4.645 4.150 5.263 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
4 1 4 VAL QG 1 8 LYS HA 6.000 . 6.000 5.196 4.452 5.746 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
5 1 9 ILE HB 1 16 CYS H 6.000 . 6.000 5.716 4.605 6.621 0.621 19 2 "[ - . 1 . +2 . 3 . 4 ]" 2
6 1 23 ASN HA 1 25 GLN H 5.000 . 5.000 4.435 4.246 4.910 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
7 1 23 ASN QB 1 25 GLN H 6.000 . 6.000 3.880 3.633 4.191 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
8 1 23 ASN HA 1 25 GLN QE 6.000 . 6.000 5.395 4.440 5.999 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
9 1 30 ASN QB 1 35 LYS QB 6.000 . 6.000 4.859 4.371 6.001 0.001 24 0 "[ . 1 . 2 . 3 . 4 ]" 2
10 1 26 ASP H 1 31 ALA MB 6.000 . 6.000 5.889 5.534 6.028 0.028 33 0 "[ . 1 . 2 . 3 . 4 ]" 2
11 1 49 ASP HA 1 54 LYS QE 6.000 . 6.000 3.692 3.346 5.001 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
12 1 53 PHE HA 1 54 LYS QZ 6.000 . 6.000 4.225 3.084 5.244 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
13 1 55 LYS QB 1 56 ALA MB 6.000 . 6.000 4.057 2.986 4.472 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
14 1 55 LYS QZ 1 56 ALA MB 6.000 . 6.000 3.720 1.884 5.117 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
15 1 55 LYS QB 1 56 ALA HA 6.000 . 6.000 4.798 4.248 5.012 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
16 1 57 GLY H 1 73 THR HA 6.000 . 6.000 3.960 3.161 4.064 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
17 1 58 THR H 1 73 THR HA 6.000 . 6.000 5.218 4.468 5.392 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
18 1 57 GLY H 1 59 VAL H 6.000 . 6.000 5.570 5.444 5.797 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
19 1 66 ASP HA 1 67 TRP HD1 6.000 . 6.000 3.778 3.590 4.180 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
20 1 66 ASP HA 1 67 TRP HE1 6.000 . 6.000 4.500 4.308 4.813 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
21 1 66 ASP HA 1 67 TRP HZ2 6.000 . 6.000 6.030 5.920 6.051 0.051 38 0 "[ . 1 . 2 . 3 . 4 ]" 2
22 1 66 ASP HA 1 67 TRP HE3 6.000 . 6.000 5.939 5.782 6.025 0.025 5 0 "[ . 1 . 2 . 3 . 4 ]" 2
23 1 69 ASP QB 1 70 ASP HA 6.000 . 6.000 3.272 2.590 3.844 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
24 1 53 PHE QB 1 73 THR H 6.000 . 6.000 4.561 4.438 4.697 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 30
_Distance_constraint_stats_list.Viol_count 390
_Distance_constraint_stats_list.Viol_total 483.738
_Distance_constraint_stats_list.Viol_max 0.106
_Distance_constraint_stats_list.Viol_rms 0.0186
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0087
_Distance_constraint_stats_list.Viol_average_violations_only 0.0288
_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 28 CYS 0.198 0.032 19 0 "[ . 1 . 2 . 3 . 4 ]"
1 30 ASN 3.262 0.103 38 0 "[ . 1 . 2 . 3 . 4 ]"
1 35 LYS 3.262 0.103 38 0 "[ . 1 . 2 . 3 . 4 ]"
1 37 THR 0.229 0.032 19 0 "[ . 1 . 2 . 3 . 4 ]"
1 40 SER 0.032 0.008 38 0 "[ . 1 . 2 . 3 . 4 ]"
1 41 GLN 0.070 0.028 33 0 "[ . 1 . 2 . 3 . 4 ]"
1 45 GLY 1.182 0.052 16 0 "[ . 1 . 2 . 3 . 4 ]"
1 47 CYS 0.719 0.045 33 0 "[ . 1 . 2 . 3 . 4 ]"
1 48 CYS 1.182 0.052 16 0 "[ . 1 . 2 . 3 . 4 ]"
1 49 ASP 0.734 0.030 38 0 "[ . 1 . 2 . 3 . 4 ]"
1 51 CYS 0.070 0.028 33 0 "[ . 1 . 2 . 3 . 4 ]"
1 52 ARG 0.734 0.030 38 0 "[ . 1 . 2 . 3 . 4 ]"
1 54 LYS 0.080 0.016 35 0 "[ . 1 . 2 . 3 . 4 ]"
1 55 LYS 2.663 0.106 40 0 "[ . 1 . 2 . 3 . 4 ]"
1 57 GLY 0.903 0.041 15 0 "[ . 1 . 2 . 3 . 4 ]"
1 58 THR 2.663 0.106 40 0 "[ . 1 . 2 . 3 . 4 ]"
1 60 CYS 1.469 0.061 35 0 "[ . 1 . 2 . 3 . 4 ]"
1 70 ASP 1.469 0.061 35 0 "[ . 1 . 2 . 3 . 4 ]"
1 71 TYR 0.020 0.013 5 0 "[ . 1 . 2 . 3 . 4 ]"
1 72 CYS 0.903 0.041 15 0 "[ . 1 . 2 . 3 . 4 ]"
1 77 SER 0.639 0.045 33 0 "[ . 1 . 2 . 3 . 4 ]"
1 80 PRO 0.020 0.013 5 0 "[ . 1 . 2 . 3 . 4 ]"
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 28 CYS O 1 37 THR H 2.000 . 2.300 2.189 1.678 2.332 0.032 19 0 "[ . 1 . 2 . 3 . 4 ]" 3
2 1 28 CYS O 1 37 THR N 3.000 2.500 3.300 3.125 2.605 3.296 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
3 1 30 ASN O 1 35 LYS H 2.000 . 2.300 2.369 2.335 2.403 0.103 38 0 "[ . 1 . 2 . 3 . 4 ]" 3
4 1 30 ASN O 1 35 LYS N 3.000 2.500 3.300 3.260 3.201 3.326 0.026 19 0 "[ . 1 . 2 . 3 . 4 ]" 3
5 1 30 ASN H 1 35 LYS O 2.000 . 2.300 2.159 1.948 2.336 0.036 32 0 "[ . 1 . 2 . 3 . 4 ]" 3
6 1 30 ASN N 1 35 LYS O 3.000 2.500 3.300 3.116 2.917 3.305 0.005 32 0 "[ . 1 . 2 . 3 . 4 ]" 3
7 1 37 THR O 1 40 SER H 2.000 . 2.300 2.077 1.709 2.308 0.008 38 0 "[ . 1 . 2 . 3 . 4 ]" 3
8 1 37 THR O 1 40 SER N 3.000 2.500 3.300 2.937 2.629 3.238 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
9 1 45 GLY O 1 48 CYS H 2.000 . 2.300 2.327 2.300 2.352 0.052 16 0 "[ . 1 . 2 . 3 . 4 ]" 3
10 1 45 GLY O 1 48 CYS N 3.000 2.500 3.300 3.110 3.001 3.205 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
11 1 47 CYS O 1 54 LYS H 2.000 . 2.300 1.780 1.673 1.997 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
12 1 47 CYS O 1 54 LYS N 3.000 2.500 3.300 2.519 2.484 2.563 0.016 35 0 "[ . 1 . 2 . 3 . 4 ]" 3
13 1 49 ASP O 1 52 ARG H 2.000 . 2.300 2.316 2.305 2.330 0.030 38 0 "[ . 1 . 2 . 3 . 4 ]" 3
14 1 49 ASP O 1 52 ARG N 3.000 2.500 3.300 3.106 3.036 3.233 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
15 1 41 GLN H 1 51 CYS O 2.000 . 2.300 2.010 1.623 2.328 0.028 33 0 "[ . 1 . 2 . 3 . 4 ]" 3
16 1 41 GLN N 1 51 CYS O 3.000 2.500 3.300 2.908 2.560 3.285 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
17 1 49 ASP H 1 52 ARG O 2.000 . 2.300 2.198 1.930 2.305 0.005 41 0 "[ . 1 . 2 . 3 . 4 ]" 3
18 1 49 ASP N 1 52 ARG O 3.000 2.500 3.300 2.915 2.683 3.057 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
19 1 55 LYS O 1 58 THR H 2.000 . 2.300 2.362 2.339 2.406 0.106 40 0 "[ . 1 . 2 . 3 . 4 ]" 3
20 1 55 LYS O 1 58 THR N 3.000 2.500 3.300 3.128 3.026 3.163 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
21 1 58 THR O 1 72 CYS H 2.000 . 2.300 1.990 1.657 2.201 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
22 1 58 THR O 1 72 CYS N 3.000 2.500 3.300 2.919 2.617 3.090 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
23 1 60 CYS H 1 70 ASP O 2.000 . 2.300 2.334 2.306 2.361 0.061 35 0 "[ . 1 . 2 . 3 . 4 ]" 3
24 1 60 CYS N 1 70 ASP O 3.000 2.500 3.300 3.157 3.094 3.217 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
25 1 57 GLY H 1 72 CYS O 2.000 . 2.300 2.321 2.302 2.341 0.041 15 0 "[ . 1 . 2 . 3 . 4 ]" 3
26 1 57 GLY N 1 72 CYS O 3.000 2.500 3.300 3.202 3.167 3.254 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
27 1 47 CYS H 1 77 SER O 2.000 . 2.300 2.302 2.097 2.345 0.045 33 0 "[ . 1 . 2 . 3 . 4 ]" 3
28 1 47 CYS N 1 77 SER O 3.000 2.500 3.300 3.273 3.058 3.311 0.011 31 0 "[ . 1 . 2 . 3 . 4 ]" 3
29 1 71 TYR H 1 80 PRO O 2.000 . 2.300 2.125 1.904 2.313 0.013 5 0 "[ . 1 . 2 . 3 . 4 ]" 3
30 1 71 TYR N 1 80 PRO O 3.000 2.500 3.300 2.955 2.775 3.161 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
stop_
save_
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