Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
555197 | 2lm0 RC | 18094 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lm0
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 922
_Distance_constraint_stats_list.Viol_count 1107
_Distance_constraint_stats_list.Viol_total 6805.134
_Distance_constraint_stats_list.Viol_max 4.126
_Distance_constraint_stats_list.Viol_rms 0.3343
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0738
_Distance_constraint_stats_list.Viol_average_violations_only 0.6147
_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 25 LEU 13.079 1.623 9 10 [********+*]
1 26 MET 2.939 0.556 9 1 "[ . +1]"
1 27 VAL 6.736 0.841 6 3 "[ - .+ * 1]"
1 28 LYS 4.728 0.818 5 6 "[ * *+-* *]"
1 29 ILE 23.304 2.871 4 10 [**-+******]
1 30 THR 55.195 3.808 7 10 [******+-**]
1 31 LEU 38.033 4.126 4 10 [***+-*****]
1 32 ASP 8.114 1.040 1 6 "[+* .* -**]"
1 33 LEU 12.639 2.376 7 5 "[- ***+ 1]"
1 34 LEU 27.827 2.956 4 8 "[ * +*-****]"
1 35 SER 2.506 0.619 6 3 "[ *.+- 1]"
1 36 ARG 5.565 0.811 8 4 "[ *.*-+ 1]"
1 37 ILE 45.550 4.126 4 10 [***+*****-]
1 38 PRO 1.565 0.556 4 1 "[ +. 1]"
1 39 GLN 0.241 0.182 4 0 "[ . 1]"
1 40 PRO 0.488 0.264 4 0 "[ . 1]"
1 41 PRO 0.998 0.264 4 0 "[ . 1]"
1 42 GLY 0.509 0.208 9 0 "[ . 1]"
1 59 ALA 0.016 0.016 8 0 "[ . 1]"
1 60 TYR 1.252 0.970 4 1 "[ +. 1]"
1 61 LEU 0.769 0.518 4 1 "[ +. 1]"
1 62 ASP 0.016 0.016 8 0 "[ . 1]"
1 63 GLU 0.000 0.000 . 0 "[ . 1]"
1 64 LEU 5.047 0.970 4 3 "[* +.* 1]"
1 65 VAL 5.569 1.017 5 4 "[* +- *1]"
1 66 GLU 0.050 0.050 2 0 "[ . 1]"
1 67 LEU 0.813 0.261 9 0 "[ . 1]"
1 68 HIS 6.389 0.982 2 6 "[ +*** *-1]"
1 69 ARG 0.019 0.012 10 0 "[ . 1]"
1 70 ARG 10.956 1.137 2 7 "[*+*-*** 1]"
1 71 LEU 12.755 1.409 3 9 "[* +***-***]"
1 72 MET 5.302 1.226 5 3 "[ +-* 1]"
1 73 THR 3.422 1.137 2 2 "[ + - 1]"
1 74 LEU 17.154 3.004 7 6 "[ **** +* 1]"
1 75 ARG 11.114 2.693 2 6 "[ +*** *-]"
1 76 GLU 35.763 2.461 3 8 "[**+-** **1]"
1 77 ARG 9.923 1.136 2 5 "[*+ - * *]"
1 78 HIS 1.019 0.304 2 0 "[ . 1]"
1 79 ILE 49.401 2.714 2 10 [*+*******-]
1 80 LEU 27.935 3.004 7 8 "[ ***- +***]"
1 81 GLN 12.822 2.956 4 4 "[ +.*- *1]"
1 82 GLN 26.291 3.130 2 10 [*+***-****]
1 83 ILE 29.489 1.811 7 10 [******+***]
1 84 VAL 85.150 2.762 2 10 [*+***-****]
1 85 ASN 8.589 1.254 10 9 "[**-***** +]"
1 86 LEU 14.339 1.717 3 9 [**+*****-1]
1 87 ILE 32.648 2.619 1 10 [+*******-*]
1 88 GLU 1.781 0.245 10 0 "[ . 1]"
1 89 GLU 4.652 0.842 8 4 "[ .**+ -]"
1 90 THR 46.591 3.688 1 8 "[+**** ** *]"
1 91 GLY 15.814 2.619 1 8 "[+ *****-*]"
1 92 HIS 66.960 3.688 1 9 "[+**** ****]"
1 93 PHE 80.818 2.762 2 10 [*+*******-]
1 94 HIS 11.184 1.526 5 9 "[*-**+** **]"
1 95 ILE 43.400 3.565 4 10 [*-*+******]
1 96 THR 2.085 0.223 4 0 "[ . 1]"
1 97 ASN 1.887 0.223 4 0 "[ . 1]"
1 98 THR 3.987 1.567 3 2 "[- + . 1]"
1 99 THR 35.956 3.808 7 9 "[*****-+* *]"
1 100 PHE 36.154 2.159 4 10 [***+******]
1 101 ASP 0.687 0.277 5 0 "[ . 1]"
1 102 PHE 37.638 3.565 4 10 [***+****-*]
1 103 ASP 12.353 1.623 9 10 [**-*****+*]
1 104 LEU 12.265 0.982 2 7 "[ +**** *-1]"
1 105 CYS 0.291 0.271 1 0 "[ . 1]"
1 106 SER 1.070 0.256 9 0 "[ . 1]"
1 107 LEU 5.090 1.195 4 2 "[ +- 1]"
1 108 ASP 16.875 3.360 5 8 "[**-*+ ***]"
1 109 LYS 10.091 2.144 4 7 "[ **+* **-1]"
1 110 THR 5.173 0.574 1 4 "[+ * *-]"
1 111 THR 12.902 2.144 4 6 "[ * +* **-1]"
1 112 VAL 8.770 1.209 4 6 "[* *+* *-]"
1 113 ARG 3.399 1.024 9 2 "[- . +1]"
1 114 LYS 12.377 1.717 3 9 [**+*****-1]
1 115 LEU 24.191 2.343 4 10 [**-+******]
1 116 GLN 18.115 2.343 4 10 [***+******]
1 117 SER 10.457 1.327 10 9 "[***-** **+]"
1 118 TYR 73.578 3.130 2 10 [-+********]
1 119 LEU 36.473 2.801 9 8 "[- **.***+*]"
1 120 GLU 16.839 1.327 10 10 [-********+]
1 121 THR 0.752 0.180 3 0 "[ . 1]"
1 122 SER 0.250 0.089 6 0 "[ . 1]"
1 123 GLY 0.004 0.004 7 0 "[ . 1]"
1 124 THR 0.004 0.004 7 0 "[ . 1]"
1 125 SER 0.000 0.000 . 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 25 LEU H 1 25 LEU QD 4.200 . 4.200 2.502 2.310 3.703 . 0 0 "[ . 1]" 1
2 1 25 LEU H 1 25 LEU HG 5.500 . 5.500 3.428 2.061 5.200 . 0 0 "[ . 1]" 1
3 1 25 LEU H 1 26 MET H 5.500 . 5.500 4.285 3.988 4.339 . 0 0 "[ . 1]" 1
4 1 25 LEU HA 1 25 LEU QD . . 3.300 2.968 1.945 3.244 . 0 0 "[ . 1]" 1
5 1 25 LEU HA 1 25 LEU HG 4.200 . 4.200 2.733 2.318 3.591 . 0 0 "[ . 1]" 1
6 1 25 LEU HA 1 26 MET H 3.300 . 3.300 2.151 2.135 2.172 . 0 0 "[ . 1]" 1
7 1 25 LEU HA 1 26 MET HA 5.500 . 5.500 4.429 4.418 4.446 . 0 0 "[ . 1]" 1
8 1 25 LEU HA 1 26 MET QG 5.500 . 5.500 3.477 3.291 3.753 . 0 0 "[ . 1]" 1
9 1 25 LEU HA 1 68 HIS HD1 5.500 . 5.500 4.927 4.312 5.594 0.094 5 0 "[ . 1]" 1
10 1 25 LEU QB 1 26 MET H 5.500 . 5.500 3.126 2.992 3.750 . 0 0 "[ . 1]" 1
11 1 25 LEU QB 1 26 MET HA 5.500 . 5.500 4.210 4.141 4.402 . 0 0 "[ . 1]" 1
12 1 25 LEU QB 1 68 HIS HD1 5.500 . 5.500 3.260 2.172 4.798 . 0 0 "[ . 1]" 1
13 1 25 LEU QB 1 103 ASP HA 5.500 . 5.500 6.563 6.152 7.123 1.623 9 10 [**-*****+*] 1
14 1 25 LEU QD 1 64 LEU QB 5.500 . 5.500 4.027 2.517 4.965 . 0 0 "[ . 1]" 1
15 1 25 LEU QD 1 65 VAL H 4.200 . 4.200 4.222 3.356 5.217 1.017 5 2 "[ + -1]" 1
16 1 25 LEU QD 1 65 VAL HA . . 4.200 2.571 2.101 3.357 . 0 0 "[ . 1]" 1
17 1 25 LEU QD 1 65 VAL MG2 2.800 . 2.800 2.110 1.893 2.904 0.104 5 0 "[ . 1]" 1
18 1 25 LEU QD 1 68 HIS QB 4.200 . 4.200 3.015 2.246 3.660 . 0 0 "[ . 1]" 1
19 1 25 LEU HG 1 26 MET H 5.500 . 5.500 4.447 4.240 4.746 . 0 0 "[ . 1]" 1
20 1 26 MET H 1 26 MET QG 4.200 . 4.200 2.694 2.299 3.014 . 0 0 "[ . 1]" 1
21 1 26 MET H 1 27 VAL H 5.500 . 5.500 4.333 4.207 4.508 . 0 0 "[ . 1]" 1
22 1 26 MET HA 1 27 VAL H 4.200 . 4.200 2.220 2.141 2.319 . 0 0 "[ . 1]" 1
23 1 26 MET HA 1 27 VAL HA 4.200 . 4.200 4.400 4.371 4.430 0.230 7 0 "[ . 1]" 1
24 1 26 MET HA 1 27 VAL HB 5.500 . 5.500 4.585 4.423 4.710 . 0 0 "[ . 1]" 1
25 1 26 MET HA 1 27 VAL QG 4.200 . 4.200 3.513 3.279 3.858 . 0 0 "[ . 1]" 1
26 1 26 MET HA 1 104 LEU H 5.500 . 5.500 4.654 4.143 5.289 . 0 0 "[ . 1]" 1
27 1 26 MET QB 1 27 VAL H 5.500 . 5.500 3.112 2.599 3.436 . 0 0 "[ . 1]" 1
28 1 26 MET QB 1 102 PHE H 5.500 . 5.500 3.537 3.178 4.255 . 0 0 "[ . 1]" 1
29 1 26 MET ME 1 102 PHE H 5.500 . 5.500 4.527 3.626 6.056 0.556 9 1 "[ . +1]" 1
30 1 26 MET ME 1 103 ASP H 5.500 . 5.500 4.635 3.417 5.543 0.043 9 0 "[ . 1]" 1
31 1 26 MET QG 1 27 VAL H 5.500 . 5.500 4.276 4.036 4.663 . 0 0 "[ . 1]" 1
32 1 27 VAL H 1 27 VAL HB 4.200 . 4.200 2.466 2.266 2.567 . 0 0 "[ . 1]" 1
33 1 27 VAL H 1 27 VAL QG 4.200 . 4.200 2.230 1.848 2.538 . 0 0 "[ . 1]" 1
34 1 27 VAL H 1 28 LYS H 5.500 . 5.500 4.470 4.361 4.578 . 0 0 "[ . 1]" 1
35 1 27 VAL H 1 68 HIS HD1 5.500 . 5.500 4.320 3.092 5.481 . 0 0 "[ . 1]" 1
36 1 27 VAL H 1 101 ASP HA 5.500 . 5.500 5.228 4.731 5.777 0.277 5 0 "[ . 1]" 1
37 1 27 VAL H 1 102 PHE H 4.200 . 4.200 3.462 2.960 3.774 . 0 0 "[ . 1]" 1
38 1 27 VAL H 1 103 ASP HA 4.200 . 4.200 4.199 3.702 4.349 0.149 2 0 "[ . 1]" 1
39 1 27 VAL H 1 104 LEU H 5.500 . 5.500 4.621 4.111 5.009 . 0 0 "[ . 1]" 1
40 1 27 VAL HA 1 27 VAL QG 3.300 . 3.300 2.062 2.037 2.096 . 0 0 "[ . 1]" 1
41 1 27 VAL HA 1 28 LYS H 3.300 . 3.300 2.190 2.172 2.241 . 0 0 "[ . 1]" 1
42 1 27 VAL HA 1 28 LYS QB 5.500 . 5.500 4.626 4.137 4.814 . 0 0 "[ . 1]" 1
43 1 27 VAL HA 1 68 HIS HD1 5.500 . 5.500 2.749 2.147 5.165 . 0 0 "[ . 1]" 1
44 1 27 VAL HA 1 71 LEU QD 5.500 . 5.500 4.770 4.304 5.213 . 0 0 "[ . 1]" 1
45 1 27 VAL HB 1 28 LYS H 5.500 . 5.500 4.274 4.191 4.351 . 0 0 "[ . 1]" 1
46 1 27 VAL HB 1 68 HIS HA 5.500 . 5.500 5.220 4.961 5.381 . 0 0 "[ . 1]" 1
47 1 27 VAL HB 1 68 HIS HD1 5.500 . 5.500 4.661 4.249 5.148 . 0 0 "[ . 1]" 1
48 1 27 VAL HB 1 71 LEU QD 5.500 . 5.500 4.180 3.848 4.796 . 0 0 "[ . 1]" 1
49 1 27 VAL HB 1 102 PHE H 5.500 . 5.500 3.669 3.556 3.865 . 0 0 "[ . 1]" 1
50 1 27 VAL HB 1 102 PHE QD 5.500 . 5.500 3.554 3.199 3.739 . 0 0 "[ . 1]" 1
51 1 27 VAL HB 1 104 LEU QD 2.800 . 2.800 3.092 2.345 3.641 0.841 6 3 "[ - .+ * 1]" 1
52 1 27 VAL MG1 1 27 VAL MG2 2.800 . 2.800 2.065 2.042 2.084 . 0 0 "[ . 1]" 1
53 1 27 VAL QG 1 28 LYS H 4.200 . 4.200 2.730 2.589 2.825 . 0 0 "[ . 1]" 1
54 1 27 VAL QG 1 29 ILE MD 3.300 . 3.300 2.865 1.855 3.262 . 0 0 "[ . 1]" 1
55 1 27 VAL QG 1 29 ILE QG 4.200 . 4.200 2.838 2.547 3.527 . 0 0 "[ . 1]" 1
56 1 27 VAL QG 1 67 LEU QB . . 4.200 4.111 3.885 4.283 0.083 1 0 "[ . 1]" 1
57 1 27 VAL QG 1 68 HIS HA 4.200 . 4.200 2.292 2.206 2.415 . 0 0 "[ . 1]" 1
58 1 27 VAL QG 1 68 HIS HD1 4.200 . 4.200 2.271 1.971 2.531 . 0 0 "[ . 1]" 1
59 1 27 VAL QG 1 71 LEU QB 4.200 . 4.200 2.662 2.480 2.926 . 0 0 "[ . 1]" 1
60 1 27 VAL QG 1 71 LEU QD 3.300 . 3.300 2.150 1.906 2.488 . 0 0 "[ . 1]" 1
61 1 27 VAL QG 1 101 ASP HA 5.500 . 5.500 4.133 3.855 4.587 . 0 0 "[ . 1]" 1
62 1 27 VAL QG 1 102 PHE H 4.200 . 4.200 4.158 4.070 4.278 0.078 5 0 "[ . 1]" 1
63 1 27 VAL QG 1 102 PHE QD 4.200 . 4.200 3.685 3.504 3.821 . 0 0 "[ . 1]" 1
64 1 27 VAL QG 1 102 PHE QE 4.200 . 4.200 2.490 2.147 2.712 . 0 0 "[ . 1]" 1
65 1 27 VAL QG 1 104 LEU QD 4.200 . 4.200 1.992 1.780 2.293 0.020 5 0 "[ . 1]" 1
66 1 28 LYS H 1 28 LYS QG . . 4.200 2.376 1.948 4.106 . 0 0 "[ . 1]" 1
67 1 28 LYS H 1 29 ILE H 5.500 . 5.500 4.267 4.245 4.288 . 0 0 "[ . 1]" 1
68 1 28 LYS HA 1 29 ILE H 4.200 . 4.200 2.117 2.094 2.135 . 0 0 "[ . 1]" 1
69 1 28 LYS HA 1 29 ILE HB 5.500 . 5.500 4.519 4.324 4.763 . 0 0 "[ . 1]" 1
70 1 28 LYS HA 1 101 ASP H 5.500 . 5.500 4.716 4.601 4.945 . 0 0 "[ . 1]" 1
71 1 28 LYS HA 1 101 ASP HA 4.200 . 4.200 2.583 2.310 2.735 . 0 0 "[ . 1]" 1
72 1 28 LYS HA 1 102 PHE H 5.500 . 5.500 4.373 3.788 4.598 . 0 0 "[ . 1]" 1
73 1 28 LYS QB 1 28 LYS QE . . 3.300 2.865 2.133 3.435 0.135 6 0 "[ . 1]" 1
74 1 28 LYS QB 1 29 ILE H . . 4.200 3.328 3.235 3.762 . 0 0 "[ . 1]" 1
75 1 28 LYS QB 1 99 THR MG 4.200 . 4.200 4.312 2.598 5.018 0.818 5 6 "[ * *+-* *]" 1
76 1 28 LYS QB 1 101 ASP HA 5.500 . 5.500 3.949 3.802 4.110 . 0 0 "[ . 1]" 1
77 1 28 LYS QG 1 29 ILE H 5.500 . 5.500 4.244 2.703 4.584 . 0 0 "[ . 1]" 1
78 1 28 LYS QG 1 101 ASP HA 5.500 . 5.500 4.653 3.296 5.642 0.142 8 0 "[ . 1]" 1
79 1 29 ILE H 1 29 ILE HB 4.200 . 4.200 2.501 2.368 2.696 . 0 0 "[ . 1]" 1
80 1 29 ILE H 1 29 ILE MD 4.200 . 4.200 3.328 2.221 3.762 . 0 0 "[ . 1]" 1
81 1 29 ILE H 1 29 ILE QG 4.200 . 4.200 2.788 2.265 3.657 . 0 0 "[ . 1]" 1
82 1 29 ILE H 1 29 ILE MG 4.200 . 4.200 3.783 3.709 3.843 . 0 0 "[ . 1]" 1
83 1 29 ILE H 1 30 THR H 5.500 . 5.500 4.323 4.259 4.355 . 0 0 "[ . 1]" 1
84 1 29 ILE H 1 100 PHE H 4.200 . 4.200 3.744 3.499 4.239 0.039 5 0 "[ . 1]" 1
85 1 29 ILE H 1 100 PHE QB 5.500 . 5.500 4.740 4.531 5.432 . 0 0 "[ . 1]" 1
86 1 29 ILE H 1 101 ASP HA 5.500 . 5.500 3.551 3.002 3.769 . 0 0 "[ . 1]" 1
87 1 29 ILE HA 1 29 ILE MD 4.200 . 4.200 3.458 2.183 3.863 . 0 0 "[ . 1]" 1
88 1 29 ILE HA 1 29 ILE MG 3.300 . 3.300 2.342 2.236 2.468 . 0 0 "[ . 1]" 1
89 1 29 ILE HA 1 30 THR H 3.300 . 3.300 2.146 2.138 2.156 . 0 0 "[ . 1]" 1
90 1 29 ILE HB 1 29 ILE MD 3.300 . 3.300 2.371 2.209 3.221 . 0 0 "[ . 1]" 1
91 1 29 ILE HB 1 30 THR H 5.500 . 5.500 4.354 4.248 4.431 . 0 0 "[ . 1]" 1
92 1 29 ILE HB 1 100 PHE H 5.500 . 5.500 5.047 4.786 5.294 . 0 0 "[ . 1]" 1
93 1 29 ILE HB 1 100 PHE QB 5.500 . 5.500 4.841 4.588 5.527 0.027 5 0 "[ . 1]" 1
94 1 29 ILE HB 1 100 PHE QD 5.500 . 5.500 3.047 2.536 4.161 . 0 0 "[ . 1]" 1
95 1 29 ILE MD 1 34 LEU QD . . 3.300 3.879 2.617 6.171 2.871 4 4 "[ - +. * *1]" 1
96 1 29 ILE MD 1 83 ILE HB 5.500 . 5.500 4.176 2.924 5.684 0.184 9 0 "[ . 1]" 1
97 1 29 ILE MD 1 84 VAL H 4.200 . 4.200 5.350 4.385 6.576 2.376 9 9 "[**- ****+*]" 1
98 1 29 ILE MD 1 84 VAL QG 5.500 . 5.500 3.493 2.676 4.622 . 0 0 "[ . 1]" 1
99 1 29 ILE MD 1 100 PHE QD 4.200 . 4.200 3.936 3.306 4.901 0.701 9 1 "[ . +1]" 1
100 1 29 ILE MD 1 102 PHE QE 3.300 . 3.300 3.070 2.616 3.422 0.122 1 0 "[ . 1]" 1
101 1 29 ILE QG 1 29 ILE MG 3.300 . 3.300 2.225 2.068 2.278 . 0 0 "[ . 1]" 1
102 1 29 ILE QG 1 30 THR H 5.500 . 5.500 4.235 4.038 4.858 . 0 0 "[ . 1]" 1
103 1 29 ILE MG 1 30 THR H 3.300 . 3.300 2.913 2.830 3.073 . 0 0 "[ . 1]" 1
104 1 29 ILE MG 1 34 LEU QD 3.300 . 3.300 2.738 1.841 5.089 1.789 4 1 "[ +. 1]" 1
105 1 29 ILE MG 1 80 LEU QD 4.200 . 4.200 2.639 2.045 4.135 . 0 0 "[ . 1]" 1
106 1 29 ILE MG 1 84 VAL QG 4.200 . 4.200 3.901 3.467 4.319 0.119 8 0 "[ . 1]" 1
107 1 29 ILE MG 1 100 PHE QB 5.500 . 5.500 5.413 5.072 5.537 0.037 5 0 "[ . 1]" 1
108 1 30 THR H 1 30 THR HB 3.300 . 3.300 2.869 2.446 3.237 . 0 0 "[ . 1]" 1
109 1 30 THR H 1 30 THR MG 3.300 . 3.300 3.507 2.287 3.745 0.445 2 0 "[ . 1]" 1
110 1 30 THR H 1 31 LEU H 5.500 . 5.500 4.503 4.268 4.659 . 0 0 "[ . 1]" 1
111 1 30 THR H 1 32 ASP H 5.500 . 5.500 5.707 5.061 6.057 0.557 10 2 "[ - . +]" 1
112 1 30 THR H 1 33 LEU H 5.500 . 5.500 5.395 4.927 5.891 0.391 4 0 "[ . 1]" 1
113 1 30 THR H 1 33 LEU QD 4.200 . 4.200 4.446 3.115 6.576 2.376 7 5 "[* *-*+ 1]" 1
114 1 30 THR H 1 33 LEU HG 5.500 . 5.500 5.637 4.779 7.316 1.816 7 3 "[ *.-+ 1]" 1
115 1 30 THR H 1 99 THR MG 4.200 . 4.200 6.937 4.628 8.008 3.808 7 9 "[-*****+* *]" 1
116 1 30 THR H 1 100 PHE H 5.500 . 5.500 6.017 5.688 6.244 0.744 7 6 "[ **.*+* -]" 1
117 1 30 THR HA 1 31 LEU H 4.200 . 4.200 2.217 2.108 2.417 . 0 0 "[ . 1]" 1
118 1 30 THR HA 1 99 THR HA 4.200 . 4.200 4.085 3.609 4.392 0.192 7 0 "[ . 1]" 1
119 1 30 THR HA 1 100 PHE H 5.500 . 5.500 4.914 4.289 5.247 . 0 0 "[ . 1]" 1
120 1 30 THR HB 1 31 LEU H 4.200 . 4.200 3.937 3.047 4.284 0.084 4 0 "[ . 1]" 1
121 1 30 THR HB 1 32 ASP H . . 3.300 3.764 3.018 4.340 1.040 1 5 "[+* .* -*1]" 1
122 1 30 THR HB 1 32 ASP QB 5.500 . 5.500 3.885 3.206 4.650 . 0 0 "[ . 1]" 1
123 1 30 THR HB 1 33 LEU H 5.500 . 5.500 3.163 2.177 4.331 . 0 0 "[ . 1]" 1
124 1 30 THR HB 1 33 LEU QD 4.200 . 4.200 2.863 2.159 4.411 0.211 7 0 "[ . 1]" 1
125 1 30 THR HB 1 33 LEU HG 4.200 . 4.200 3.183 2.311 4.341 0.141 7 0 "[ . 1]" 1
126 1 30 THR MG 1 32 ASP H 3.300 . 3.300 2.261 1.820 3.148 . 0 0 "[ . 1]" 1
127 1 30 THR MG 1 32 ASP QB 3.300 . 3.300 2.594 2.079 3.379 0.079 5 0 "[ . 1]" 1
128 1 30 THR MG 1 33 LEU H 4.200 . 4.200 3.025 1.831 3.491 . 0 0 "[ . 1]" 1
129 1 31 LEU H 1 31 LEU QD 3.300 . 3.300 3.230 2.154 3.834 0.534 5 1 "[ + 1]" 1
130 1 31 LEU H 1 31 LEU HG 4.200 . 4.200 4.277 3.548 4.577 0.377 10 0 "[ . 1]" 1
131 1 31 LEU H 1 99 THR HA 4.200 . 4.200 3.287 2.433 4.195 . 0 0 "[ . 1]" 1
132 1 31 LEU HA 1 31 LEU QD 3.300 . 3.300 2.178 1.942 3.026 . 0 0 "[ . 1]" 1
133 1 31 LEU HA 1 31 LEU HG 4.200 . 4.200 2.989 2.330 3.621 . 0 0 "[ . 1]" 1
134 1 31 LEU HA 1 32 ASP H 5.500 . 5.500 3.452 3.183 3.545 . 0 0 "[ . 1]" 1
135 1 31 LEU HA 1 32 ASP HA 5.500 . 5.500 4.806 4.716 4.860 . 0 0 "[ . 1]" 1
136 1 31 LEU HA 1 33 LEU H 4.200 . 4.200 3.931 3.143 4.757 0.557 1 1 "[+ . 1]" 1
137 1 31 LEU HA 1 34 LEU H 5.500 . 5.500 3.692 3.380 4.198 . 0 0 "[ . 1]" 1
138 1 31 LEU HA 1 34 LEU QD 4.200 . 4.200 2.882 2.244 4.472 0.272 5 0 "[ . 1]" 1
139 1 31 LEU HA 1 37 ILE MD 3.300 . 3.300 6.130 5.364 7.426 4.126 4 10 [***+**-***] 1
140 1 31 LEU HA 1 99 THR HA 5.500 . 5.500 4.507 4.084 5.388 . 0 0 "[ . 1]" 1
141 1 31 LEU QB 1 32 ASP H . . 4.200 2.873 2.401 3.518 . 0 0 "[ . 1]" 1
142 1 31 LEU QB 1 99 THR HA 5.500 . 5.500 2.856 2.166 4.326 . 0 0 "[ . 1]" 1
143 1 31 LEU QD 1 32 ASP H 4.200 . 4.200 3.872 3.433 4.483 0.283 7 0 "[ . 1]" 1
144 1 31 LEU QD 1 99 THR H 4.200 . 4.200 2.707 2.187 3.073 . 0 0 "[ . 1]" 1
145 1 31 LEU QD 1 100 PHE H 4.200 . 4.200 3.595 2.845 4.495 0.295 5 0 "[ . 1]" 1
146 1 31 LEU QD 1 100 PHE HA 4.200 . 4.200 4.413 3.891 5.212 1.012 5 3 "[ + * -]" 1
147 1 31 LEU QD 1 100 PHE QB 4.200 . 4.200 2.633 1.993 3.670 . 0 0 "[ . 1]" 1
148 1 31 LEU QD 1 100 PHE QD 4.200 . 4.200 3.497 2.891 4.379 0.179 10 0 "[ . 1]" 1
149 1 32 ASP H 1 32 ASP QB 3.300 . 3.300 2.524 2.244 2.673 . 0 0 "[ . 1]" 1
150 1 32 ASP H 1 33 LEU H 4.200 . 4.200 2.720 2.446 2.935 . 0 0 "[ . 1]" 1
151 1 32 ASP HA 1 32 ASP QB 2.800 . 2.800 2.328 2.289 2.424 . 0 0 "[ . 1]" 1
152 1 32 ASP HA 1 33 LEU H 4.200 . 4.200 3.466 3.262 3.588 . 0 0 "[ . 1]" 1
153 1 32 ASP QB 1 33 LEU H 4.200 . 4.200 2.789 2.181 3.407 . 0 0 "[ . 1]" 1
154 1 33 LEU H 1 33 LEU QD 4.200 . 4.200 3.001 1.904 3.338 . 0 0 "[ . 1]" 1
155 1 33 LEU H 1 33 LEU HG 4.200 . 4.200 2.569 1.889 3.821 . 0 0 "[ . 1]" 1
156 1 33 LEU HA 1 33 LEU QD 2.800 . 2.800 2.143 1.994 2.215 . 0 0 "[ . 1]" 1
157 1 33 LEU HA 1 33 LEU HG 4.200 . 4.200 3.141 2.356 3.635 . 0 0 "[ . 1]" 1
158 1 33 LEU HA 1 34 LEU H 4.200 . 4.200 3.062 2.818 3.443 . 0 0 "[ . 1]" 1
159 1 34 LEU H 1 34 LEU QD 4.200 . 4.200 3.278 1.681 3.888 0.119 7 0 "[ . 1]" 1
160 1 34 LEU H 1 34 LEU HG 4.200 . 4.200 3.921 3.267 4.514 0.314 5 0 "[ . 1]" 1
161 1 34 LEU H 1 35 SER H 5.500 . 5.500 3.598 2.043 4.672 . 0 0 "[ . 1]" 1
162 1 34 LEU HA 1 34 LEU QD . . 3.300 2.467 1.945 3.335 0.035 4 0 "[ . 1]" 1
163 1 34 LEU HA 1 34 LEU HG 4.200 . 4.200 2.827 2.286 4.268 0.068 7 0 "[ . 1]" 1
164 1 34 LEU QB 1 35 SER H . . 4.200 2.802 2.388 3.655 . 0 0 "[ . 1]" 1
165 1 34 LEU QB 1 36 ARG H . . 4.200 3.969 2.871 4.871 0.671 8 2 "[ .- + 1]" 1
166 1 34 LEU QD 1 35 SER H 5.500 . 5.500 2.926 1.653 3.980 0.147 4 0 "[ . 1]" 1
167 1 34 LEU QD 1 36 ARG H 5.500 . 5.500 3.139 1.732 4.323 0.068 5 0 "[ . 1]" 1
168 1 34 LEU QD 1 37 ILE MG 4.200 . 4.200 3.666 2.260 4.925 0.725 10 1 "[ . +]" 1
169 1 34 LEU QD 1 81 GLN H 4.200 . 4.200 4.894 3.319 7.156 2.956 4 4 "[ +.** -1]" 1
170 1 34 LEU QD 1 81 GLN HA 4.200 . 4.200 4.176 2.437 5.809 1.609 4 3 "[ +.*- 1]" 1
171 1 34 LEU QD 1 84 VAL QG 3.300 . 3.300 2.236 1.851 3.151 . 0 0 "[ . 1]" 1
172 1 34 LEU QD 1 100 PHE QB 4.200 . 4.200 3.928 3.049 5.674 1.474 5 1 "[ + 1]" 1
173 1 35 SER H 1 36 ARG H . . 3.300 3.197 1.986 3.919 0.619 6 3 "[ *.+- 1]" 1
174 1 35 SER HA 1 36 ARG H 4.200 . 4.200 3.526 3.445 3.577 . 0 0 "[ . 1]" 1
175 1 35 SER QB 1 36 ARG H 4.200 . 4.200 2.443 1.798 3.325 0.002 4 0 "[ . 1]" 1
176 1 36 ARG H 1 37 ILE H 5.500 . 5.500 4.491 4.374 4.630 . 0 0 "[ . 1]" 1
177 1 36 ARG H 1 37 ILE HA 5.500 . 5.500 5.095 4.659 5.475 . 0 0 "[ . 1]" 1
178 1 36 ARG H 1 37 ILE QG 5.500 . 5.500 4.819 4.095 6.311 0.811 8 1 "[ . + 1]" 1
179 1 36 ARG HA 1 37 ILE H 3.300 . 3.300 2.260 2.146 2.530 . 0 0 "[ . 1]" 1
180 1 36 ARG HA 1 37 ILE MD . . 3.300 2.702 2.348 2.928 . 0 0 "[ . 1]" 1
181 1 36 ARG QB 1 37 ILE H 4.200 . 4.200 3.114 2.164 3.701 . 0 0 "[ . 1]" 1
182 1 37 ILE H 1 37 ILE HB 4.200 . 4.200 2.967 2.702 3.678 . 0 0 "[ . 1]" 1
183 1 37 ILE H 1 37 ILE MD 4.200 . 4.200 1.986 1.760 2.240 0.040 6 0 "[ . 1]" 1
184 1 37 ILE H 1 37 ILE QG . . 4.200 2.852 1.897 3.311 . 0 0 "[ . 1]" 1
185 1 37 ILE H 1 38 PRO QD 5.500 . 5.500 4.039 3.644 4.363 . 0 0 "[ . 1]" 1
186 1 37 ILE HA 1 37 ILE MD 4.200 . 4.200 3.463 3.343 3.575 . 0 0 "[ . 1]" 1
187 1 37 ILE HA 1 37 ILE QG . . 3.300 2.650 2.300 3.426 0.126 7 0 "[ . 1]" 1
188 1 37 ILE HA 1 37 ILE MG 3.300 . 3.300 2.247 2.196 2.282 . 0 0 "[ . 1]" 1
189 1 37 ILE HA 1 38 PRO QD 4.200 . 4.200 2.036 1.998 2.068 . 0 0 "[ . 1]" 1
190 1 37 ILE HA 1 84 VAL QG 4.200 . 4.200 4.127 3.682 4.536 0.336 6 0 "[ . 1]" 1
191 1 37 ILE HB 1 38 PRO QD 5.500 . 5.500 3.920 2.359 4.342 . 0 0 "[ . 1]" 1
192 1 37 ILE QG 1 37 ILE MG 3.300 . 3.300 2.193 2.091 2.516 . 0 0 "[ . 1]" 1
193 1 37 ILE MG 1 38 PRO QD . . 3.300 2.644 2.057 3.402 0.102 7 0 "[ . 1]" 1
194 1 37 ILE MG 1 100 PHE QD 4.200 . 4.200 5.516 3.623 6.359 2.159 4 9 [**-+.*****] 1
195 1 38 PRO HA 1 39 GLN H 3.300 . 3.300 2.267 2.179 2.592 . 0 0 "[ . 1]" 1
196 1 38 PRO QB 1 39 GLN H 4.200 . 4.200 3.112 2.418 3.365 . 0 0 "[ . 1]" 1
197 1 38 PRO QB 1 84 VAL QG 5.500 . 5.500 3.710 2.828 4.866 . 0 0 "[ . 1]" 1
198 1 38 PRO QB 1 93 PHE QE 5.500 . 5.500 4.446 3.230 5.535 0.035 5 0 "[ . 1]" 1
199 1 38 PRO QD 1 84 VAL QG 4.200 . 4.200 2.610 2.215 3.123 . 0 0 "[ . 1]" 1
200 1 38 PRO QD 1 93 PHE QE 5.500 . 5.500 5.384 4.956 5.541 0.041 6 0 "[ . 1]" 1
201 1 38 PRO QD 1 95 ILE MD 4.200 . 4.200 3.174 2.227 4.142 . 0 0 "[ . 1]" 1
202 1 38 PRO QD 1 100 PHE QD 5.500 . 5.500 5.368 4.454 6.056 0.556 4 1 "[ +. 1]" 1
203 1 38 PRO QG 1 39 GLN H 5.500 . 5.500 4.599 4.237 4.754 . 0 0 "[ . 1]" 1
204 1 38 PRO QG 1 84 VAL QG 3.300 . 3.300 2.328 1.802 3.293 . 0 0 "[ . 1]" 1
205 1 38 PRO QG 1 93 PHE QE 5.500 . 5.500 4.048 3.569 4.621 . 0 0 "[ . 1]" 1
206 1 39 GLN H 1 39 GLN QB 3.300 . 3.300 2.462 2.150 2.778 . 0 0 "[ . 1]" 1
207 1 39 GLN H 1 39 GLN QG 3.300 . 3.300 2.397 1.777 3.330 0.030 10 0 "[ . 1]" 1
208 1 39 GLN H 1 40 PRO QD 5.500 . 5.500 4.382 4.366 4.417 . 0 0 "[ . 1]" 1
209 1 39 GLN HA 1 39 GLN QG 3.300 . 3.300 2.718 2.220 3.482 0.182 4 0 "[ . 1]" 1
210 1 39 GLN HA 1 40 PRO QD . . 2.800 2.096 2.055 2.134 . 0 0 "[ . 1]" 1
211 1 39 GLN QB 1 40 PRO QD 3.300 . 3.300 2.351 2.221 2.674 . 0 0 "[ . 1]" 1
212 1 39 GLN QG 1 40 PRO QD 4.200 . 4.200 3.497 2.320 4.059 . 0 0 "[ . 1]" 1
213 1 40 PRO HA 1 41 PRO QD 3.300 . 3.300 2.361 2.016 3.564 0.264 4 0 "[ . 1]" 1
214 1 40 PRO QB 1 40 PRO QD . . 3.300 2.849 2.765 2.984 . 0 0 "[ . 1]" 1
215 1 40 PRO QB 1 41 PRO QD 4.200 . 4.200 2.895 2.064 3.525 . 0 0 "[ . 1]" 1
216 1 41 PRO HA 1 42 GLY H 3.300 . 3.300 2.796 2.166 3.508 0.208 9 0 "[ . 1]" 1
217 1 41 PRO QB 1 42 GLY H 4.200 . 4.200 2.438 1.871 3.438 . 0 0 "[ . 1]" 1
218 1 59 ALA HA 1 60 TYR H 4.200 . 4.200 3.508 3.378 3.580 . 0 0 "[ . 1]" 1
219 1 59 ALA HA 1 62 ASP H 4.200 . 4.200 3.699 3.331 4.216 0.016 8 0 "[ . 1]" 1
220 1 59 ALA MB 1 60 TYR H 4.200 . 4.200 2.593 1.973 3.086 . 0 0 "[ . 1]" 1
221 1 60 TYR H 1 60 TYR QD 4.200 . 4.200 4.082 3.936 4.205 0.005 8 0 "[ . 1]" 1
222 1 60 TYR H 1 61 LEU HA 5.500 . 5.500 5.335 4.960 5.475 . 0 0 "[ . 1]" 1
223 1 60 TYR H 1 61 LEU HG 4.200 . 4.200 3.954 3.315 4.282 0.082 5 0 "[ . 1]" 1
224 1 60 TYR H 1 62 ASP H 5.500 . 5.500 4.311 4.159 4.517 . 0 0 "[ . 1]" 1
225 1 60 TYR HA 1 62 ASP H 5.500 . 5.500 3.938 3.364 4.852 . 0 0 "[ . 1]" 1
226 1 60 TYR HA 1 63 GLU H 5.500 . 5.500 3.652 3.541 3.761 . 0 0 "[ . 1]" 1
227 1 60 TYR QB 1 61 LEU H 4.200 . 4.200 2.723 2.392 3.000 . 0 0 "[ . 1]" 1
228 1 60 TYR QB 1 61 LEU HA 5.500 . 5.500 4.018 3.759 4.231 . 0 0 "[ . 1]" 1
229 1 60 TYR QD 1 61 LEU H 4.200 . 4.200 3.942 3.564 4.224 0.024 5 0 "[ . 1]" 1
230 1 60 TYR QE 1 64 LEU MD1 4.200 . 4.200 3.060 2.340 3.790 . 0 0 "[ . 1]" 1
231 1 60 TYR QE 1 64 LEU MD2 4.200 . 4.200 3.144 2.263 5.170 0.970 4 1 "[ +. 1]" 1
232 1 60 TYR QE 1 112 VAL MG1 4.200 . 4.200 3.967 3.240 4.259 0.059 2 0 "[ . 1]" 1
233 1 61 LEU H 1 61 LEU QB 3.300 . 3.300 2.562 2.360 2.666 . 0 0 "[ . 1]" 1
234 1 61 LEU H 1 62 ASP H 4.200 . 4.200 2.741 2.541 2.875 . 0 0 "[ . 1]" 1
235 1 61 LEU HA 1 62 ASP H 5.500 . 5.500 3.506 3.424 3.571 . 0 0 "[ . 1]" 1
236 1 61 LEU HA 1 63 GLU H 5.500 . 5.500 4.087 3.855 4.466 . 0 0 "[ . 1]" 1
237 1 61 LEU HA 1 64 LEU H 4.200 . 4.200 3.333 3.177 3.588 . 0 0 "[ . 1]" 1
238 1 61 LEU HA 1 64 LEU MD1 4.200 . 4.200 2.581 2.315 3.190 . 0 0 "[ . 1]" 1
239 1 61 LEU HA 1 64 LEU HG 4.200 . 4.200 3.371 2.455 4.718 0.518 4 1 "[ +. 1]" 1
240 1 61 LEU QB 1 62 ASP H 4.200 . 4.200 3.063 2.243 3.662 . 0 0 "[ . 1]" 1
241 1 61 LEU QB 1 63 GLU H 5.500 . 5.500 4.875 4.338 5.404 . 0 0 "[ . 1]" 1
242 1 62 ASP H 1 62 ASP QB . . 3.300 2.380 2.240 2.550 . 0 0 "[ . 1]" 1
243 1 62 ASP H 1 63 GLU H 4.200 . 4.200 2.840 2.780 2.927 . 0 0 "[ . 1]" 1
244 1 62 ASP HA 1 63 GLU H 4.200 . 4.200 3.535 3.482 3.561 . 0 0 "[ . 1]" 1
245 1 62 ASP QB 1 63 GLU H 4.200 . 4.200 2.877 2.294 3.573 . 0 0 "[ . 1]" 1
246 1 63 GLU H 1 63 GLU QG 4.200 . 4.200 3.013 1.864 4.057 . 0 0 "[ . 1]" 1
247 1 63 GLU H 1 64 LEU H 4.200 . 4.200 2.763 2.583 2.959 . 0 0 "[ . 1]" 1
248 1 63 GLU HA 1 64 LEU H 4.200 . 4.200 3.562 3.514 3.573 . 0 0 "[ . 1]" 1
249 1 63 GLU HA 1 66 GLU H 4.200 . 4.200 3.589 3.392 3.757 . 0 0 "[ . 1]" 1
250 1 63 GLU HA 1 66 GLU QB 3.300 . 3.300 2.871 2.417 3.187 . 0 0 "[ . 1]" 1
251 1 63 GLU QB 1 64 LEU H 4.200 . 4.200 2.353 2.097 3.485 . 0 0 "[ . 1]" 1
252 1 63 GLU QB 1 65 VAL H 5.500 . 5.500 4.647 4.411 5.309 . 0 0 "[ . 1]" 1
253 1 63 GLU QG 1 64 LEU H 5.500 . 5.500 3.543 1.947 4.283 . 0 0 "[ . 1]" 1
254 1 64 LEU H 1 64 LEU MD2 . . 4.200 3.187 2.193 4.232 0.032 4 0 "[ . 1]" 1
255 1 64 LEU H 1 64 LEU HG . . 4.200 2.179 1.780 3.868 0.020 9 0 "[ . 1]" 1
256 1 64 LEU H 1 65 VAL H 4.200 . 4.200 2.840 2.680 2.963 . 0 0 "[ . 1]" 1
257 1 64 LEU HA 1 64 LEU MD2 2.800 . 2.800 2.180 2.121 2.285 . 0 0 "[ . 1]" 1
258 1 64 LEU HA 1 64 LEU HG 4.200 . 4.200 2.911 2.325 3.383 . 0 0 "[ . 1]" 1
259 1 64 LEU HA 1 65 VAL H 5.500 . 5.500 3.548 3.527 3.562 . 0 0 "[ . 1]" 1
260 1 64 LEU HA 1 67 LEU H 4.200 . 4.200 3.535 3.441 3.624 . 0 0 "[ . 1]" 1
261 1 64 LEU HA 1 67 LEU QB 4.200 . 4.200 2.571 2.353 2.723 . 0 0 "[ . 1]" 1
262 1 64 LEU HA 1 67 LEU QD 4.200 . 4.200 3.221 3.024 3.390 . 0 0 "[ . 1]" 1
263 1 64 LEU HA 1 68 HIS H 5.500 . 5.500 4.183 3.916 4.387 . 0 0 "[ . 1]" 1
264 1 64 LEU HA 1 112 VAL MG1 4.200 . 4.200 3.994 3.671 4.345 0.145 3 0 "[ . 1]" 1
265 1 64 LEU QB 1 65 VAL H 4.200 . 4.200 2.489 2.322 2.608 . 0 0 "[ . 1]" 1
266 1 64 LEU QB 1 66 GLU H 5.500 . 5.500 4.853 4.647 5.002 . 0 0 "[ . 1]" 1
267 1 64 LEU MD1 1 105 CYS H 5.500 . 5.500 4.447 3.944 5.018 . 0 0 "[ . 1]" 1
268 1 64 LEU MD1 1 105 CYS HA 4.200 . 4.200 3.053 2.567 3.513 . 0 0 "[ . 1]" 1
269 1 64 LEU MD1 1 105 CYS QB 5.500 . 5.500 3.662 2.542 4.212 . 0 0 "[ . 1]" 1
270 1 64 LEU MD2 1 65 VAL H 4.200 . 4.200 4.500 3.986 4.738 0.538 1 2 "[+ .- 1]" 1
271 1 64 LEU MD2 1 67 LEU QB 4.200 . 4.200 3.521 2.768 3.944 . 0 0 "[ . 1]" 1
272 1 64 LEU MD2 1 112 VAL MG1 3.300 . 3.300 2.526 2.093 3.325 0.025 4 0 "[ . 1]" 1
273 1 64 LEU HG 1 65 VAL H 5.500 . 5.500 4.222 3.717 5.008 . 0 0 "[ . 1]" 1
274 1 65 VAL H 1 65 VAL HB . . 3.300 2.451 2.358 2.583 . 0 0 "[ . 1]" 1
275 1 65 VAL H 1 65 VAL MG1 4.200 . 4.200 3.737 3.726 3.746 . 0 0 "[ . 1]" 1
276 1 65 VAL H 1 65 VAL MG2 2.800 . 2.800 2.124 1.893 2.337 . 0 0 "[ . 1]" 1
277 1 65 VAL H 1 66 GLU H 4.200 . 4.200 2.831 2.716 2.939 . 0 0 "[ . 1]" 1
278 1 65 VAL HA 1 65 VAL MG1 3.300 . 3.300 2.379 2.280 2.448 . 0 0 "[ . 1]" 1
279 1 65 VAL HA 1 65 VAL MG2 3.300 . 3.300 2.353 2.220 2.420 . 0 0 "[ . 1]" 1
280 1 65 VAL HA 1 66 GLU H 5.500 . 5.500 3.579 3.564 3.593 . 0 0 "[ . 1]" 1
281 1 65 VAL HA 1 68 HIS H 4.200 . 4.200 3.754 3.601 3.974 . 0 0 "[ . 1]" 1
282 1 65 VAL HA 1 68 HIS QB 4.200 . 4.200 3.175 2.951 3.711 . 0 0 "[ . 1]" 1
283 1 65 VAL HB 1 66 GLU H 4.200 . 4.200 2.393 2.269 2.659 . 0 0 "[ . 1]" 1
284 1 65 VAL MG1 1 66 GLU H 4.200 . 4.200 3.115 2.869 3.421 . 0 0 "[ . 1]" 1
285 1 65 VAL MG1 1 66 GLU HA 4.200 . 4.200 3.262 3.107 3.531 . 0 0 "[ . 1]" 1
286 1 65 VAL MG2 1 66 GLU H 4.200 . 4.200 3.828 3.700 3.994 . 0 0 "[ . 1]" 1
287 1 66 GLU H 1 66 GLU QB 3.300 . 3.300 2.273 2.217 2.381 . 0 0 "[ . 1]" 1
288 1 66 GLU H 1 66 GLU QG 4.200 . 4.200 3.442 2.134 4.054 . 0 0 "[ . 1]" 1
289 1 66 GLU H 1 67 LEU H 4.200 . 4.200 2.715 2.581 2.801 . 0 0 "[ . 1]" 1
290 1 66 GLU H 1 68 HIS H 5.500 . 5.500 4.578 4.394 4.743 . 0 0 "[ . 1]" 1
291 1 66 GLU HA 1 67 LEU H 4.200 . 4.200 3.524 3.396 3.565 . 0 0 "[ . 1]" 1
292 1 66 GLU HA 1 69 ARG H 4.200 . 4.200 3.629 3.436 3.798 . 0 0 "[ . 1]" 1
293 1 66 GLU HA 1 70 ARG H 5.500 . 5.500 4.494 4.305 4.632 . 0 0 "[ . 1]" 1
294 1 66 GLU QG 1 67 LEU H 4.200 . 4.200 3.911 3.546 4.250 0.050 2 0 "[ . 1]" 1
295 1 67 LEU H 1 67 LEU QB . . 3.300 2.172 2.048 2.268 . 0 0 "[ . 1]" 1
296 1 67 LEU H 1 67 LEU QD 4.200 . 4.200 3.396 2.517 3.695 . 0 0 "[ . 1]" 1
297 1 67 LEU H 1 68 HIS H 4.200 . 4.200 2.844 2.440 3.096 . 0 0 "[ . 1]" 1
298 1 67 LEU H 1 69 ARG H 5.500 . 5.500 4.192 3.948 4.290 . 0 0 "[ . 1]" 1
299 1 67 LEU HA 1 67 LEU QD . . 2.800 2.240 2.196 2.271 . 0 0 "[ . 1]" 1
300 1 67 LEU HA 1 67 LEU HG 4.200 . 4.200 2.488 2.282 2.669 . 0 0 "[ . 1]" 1
301 1 67 LEU HA 1 68 HIS H 5.500 . 5.500 3.555 3.531 3.570 . 0 0 "[ . 1]" 1
302 1 67 LEU HA 1 70 ARG H 5.500 . 5.500 3.736 3.660 3.879 . 0 0 "[ . 1]" 1
303 1 67 LEU HA 1 119 LEU QD 5.500 . 5.500 4.652 3.946 5.430 . 0 0 "[ . 1]" 1
304 1 67 LEU QB 1 68 HIS H . . 4.200 2.254 2.021 2.485 . 0 0 "[ . 1]" 1
305 1 67 LEU QB 1 68 HIS HA 4.200 . 4.200 3.816 3.651 3.931 . 0 0 "[ . 1]" 1
306 1 67 LEU QD 1 104 LEU QB 4.200 . 4.200 4.044 3.360 4.461 0.261 9 0 "[ . 1]" 1
307 1 67 LEU QD 1 112 VAL HA 5.500 . 5.500 3.747 3.301 4.092 . 0 0 "[ . 1]" 1
308 1 67 LEU QD 1 112 VAL MG1 4.200 . 4.200 2.286 1.943 2.744 . 0 0 "[ . 1]" 1
309 1 67 LEU QD 1 115 LEU QB 4.200 . 4.200 3.049 2.535 3.620 . 0 0 "[ . 1]" 1
310 1 67 LEU QD 1 116 GLN HA 4.200 . 4.200 3.132 2.468 3.646 . 0 0 "[ . 1]" 1
311 1 67 LEU QD 1 116 GLN QB 5.500 . 5.500 3.201 2.218 3.871 . 0 0 "[ . 1]" 1
312 1 67 LEU QD 1 116 GLN QG 4.200 . 4.200 2.205 1.949 3.768 . 0 0 "[ . 1]" 1
313 1 67 LEU HG 1 71 LEU QD 4.200 . 4.200 2.286 2.061 2.859 . 0 0 "[ . 1]" 1
314 1 68 HIS H 1 69 ARG H 4.200 . 4.200 2.947 2.755 3.050 . 0 0 "[ . 1]" 1
315 1 68 HIS H 1 71 LEU QD 4.200 . 4.200 3.608 3.120 4.384 0.184 9 0 "[ . 1]" 1
316 1 68 HIS HA 1 69 ARG H . . 4.200 3.571 3.561 3.600 . 0 0 "[ . 1]" 1
317 1 68 HIS HA 1 71 LEU H 5.500 . 5.500 3.947 3.844 4.090 . 0 0 "[ . 1]" 1
318 1 68 HIS HA 1 71 LEU QB 4.200 . 4.200 2.665 2.417 2.792 . 0 0 "[ . 1]" 1
319 1 68 HIS HA 1 71 LEU QD 4.200 . 4.200 2.592 2.293 3.774 . 0 0 "[ . 1]" 1
320 1 68 HIS HA 1 104 LEU QD 4.200 . 4.200 4.212 3.748 4.336 0.136 8 0 "[ . 1]" 1
321 1 68 HIS QB 1 69 ARG H . . 4.200 2.556 2.475 2.674 . 0 0 "[ . 1]" 1
322 1 68 HIS QB 1 104 LEU QD 4.200 . 4.200 4.132 4.004 4.218 0.018 2 0 "[ . 1]" 1
323 1 68 HIS HD1 1 104 LEU QD 4.200 . 4.200 4.572 2.438 5.182 0.982 2 6 "[ +*** *-1]" 1
324 1 69 ARG H 1 69 ARG QB 3.300 . 3.300 2.377 2.040 2.646 . 0 0 "[ . 1]" 1
325 1 69 ARG H 1 69 ARG QG . . 4.200 2.929 1.800 4.056 . 0 0 "[ . 1]" 1
326 1 69 ARG H 1 70 ARG H 4.200 . 4.200 2.998 2.957 3.064 . 0 0 "[ . 1]" 1
327 1 69 ARG H 1 70 ARG HA 5.500 . 5.500 5.488 5.466 5.512 0.012 10 0 "[ . 1]" 1
328 1 69 ARG HA 1 70 ARG H 5.500 . 5.500 3.571 3.556 3.579 . 0 0 "[ . 1]" 1
329 1 69 ARG HA 1 72 MET H 4.200 . 4.200 3.266 3.102 3.482 . 0 0 "[ . 1]" 1
330 1 69 ARG QB 1 70 ARG H 3.300 . 3.300 1.930 1.808 2.157 . 0 0 "[ . 1]" 1
331 1 70 ARG H 1 70 ARG QB . . 3.300 2.414 2.220 2.646 . 0 0 "[ . 1]" 1
332 1 70 ARG H 1 70 ARG QD 4.200 . 4.200 4.084 3.584 4.836 0.636 3 2 "[ +-. 1]" 1
333 1 70 ARG H 1 70 ARG QG 4.200 . 4.200 2.938 1.784 4.072 0.016 6 0 "[ . 1]" 1
334 1 70 ARG H 1 71 LEU H 4.200 . 4.200 2.902 2.814 3.005 . 0 0 "[ . 1]" 1
335 1 70 ARG H 1 72 MET H 5.500 . 5.500 4.370 4.207 4.457 . 0 0 "[ . 1]" 1
336 1 70 ARG HA 1 70 ARG QD 4.200 . 4.200 3.516 2.117 4.163 . 0 0 "[ . 1]" 1
337 1 70 ARG HA 1 70 ARG HE 4.200 . 4.200 4.447 2.468 5.296 1.096 3 5 "[**+-* 1]" 1
338 1 70 ARG HA 1 70 ARG QG 3.300 . 3.300 2.480 2.269 2.915 . 0 0 "[ . 1]" 1
339 1 70 ARG HA 1 73 THR H 5.500 . 5.500 4.349 3.500 6.637 1.137 2 2 "[ + - 1]" 1
340 1 70 ARG QB 1 70 ARG HE 4.200 . 4.200 3.223 2.323 3.971 . 0 0 "[ . 1]" 1
341 1 70 ARG QB 1 71 LEU H 4.200 . 4.200 2.813 2.347 3.138 . 0 0 "[ . 1]" 1
342 1 70 ARG QB 1 119 LEU QD 4.200 . 4.200 3.314 2.743 4.180 . 0 0 "[ . 1]" 1
343 1 70 ARG QD 1 119 LEU QD 4.200 . 4.200 3.631 2.653 5.218 1.018 7 1 "[ . + 1]" 1
344 1 70 ARG HE 1 119 LEU QD 5.500 . 5.500 4.665 3.358 6.247 0.747 6 1 "[ .+ 1]" 1
345 1 70 ARG QG 1 71 LEU H 5.500 . 5.500 3.964 3.465 4.156 . 0 0 "[ . 1]" 1
346 1 71 LEU H 1 71 LEU QB . . 3.300 2.206 2.074 2.405 . 0 0 "[ . 1]" 1
347 1 71 LEU H 1 71 LEU QD 4.200 . 4.200 3.163 2.509 3.370 . 0 0 "[ . 1]" 1
348 1 71 LEU H 1 72 MET H 4.200 . 4.200 2.495 2.321 2.807 . 0 0 "[ . 1]" 1
349 1 71 LEU H 1 73 THR H 5.500 . 5.500 4.580 3.829 5.609 0.109 5 0 "[ . 1]" 1
350 1 71 LEU HA 1 71 LEU QD . . 3.300 2.178 1.941 2.273 . 0 0 "[ . 1]" 1
351 1 71 LEU HA 1 71 LEU HG 4.200 . 4.200 2.645 2.381 3.592 . 0 0 "[ . 1]" 1
352 1 71 LEU HA 1 72 MET H 4.200 . 4.200 3.513 3.486 3.530 . 0 0 "[ . 1]" 1
353 1 71 LEU HA 1 74 LEU H 5.500 . 5.500 4.393 3.647 4.775 . 0 0 "[ . 1]" 1
354 1 71 LEU HA 1 74 LEU QB . . 4.200 3.646 2.613 5.609 1.409 3 1 "[ + . 1]" 1
355 1 71 LEU HA 1 74 LEU QD 4.200 . 4.200 4.062 2.848 5.387 1.187 3 3 "[ +*. - 1]" 1
356 1 71 LEU HA 1 119 LEU QD 5.500 . 5.500 3.180 2.594 3.632 . 0 0 "[ . 1]" 1
357 1 71 LEU QB 1 72 MET H 4.200 . 4.200 2.717 2.626 2.843 . 0 0 "[ . 1]" 1
358 1 71 LEU QD 1 100 PHE QE 5.500 . 5.500 6.306 5.957 6.734 1.234 8 9 "[* *-***+**]" 1
359 1 71 LEU QD 1 102 PHE QE 4.200 . 4.200 3.802 3.536 4.157 . 0 0 "[ . 1]" 1
360 1 71 LEU QD 1 119 LEU QD 5.500 . 5.500 2.120 1.883 2.576 . 0 0 "[ . 1]" 1
361 1 72 MET H 1 72 MET QB . . 3.300 2.289 2.203 2.485 . 0 0 "[ . 1]" 1
362 1 72 MET H 1 72 MET ME 4.200 . 4.200 4.669 3.840 5.426 1.226 5 3 "[ +-* 1]" 1
363 1 72 MET H 1 72 MET QG 4.200 . 4.200 3.363 2.281 4.061 . 0 0 "[ . 1]" 1
364 1 72 MET H 1 73 THR H 4.200 . 4.200 3.002 2.586 3.961 . 0 0 "[ . 1]" 1
365 1 72 MET H 1 74 LEU H 5.500 . 5.500 4.854 3.851 5.539 0.039 10 0 "[ . 1]" 1
366 1 72 MET HA 1 72 MET ME 3.300 . 3.300 3.252 3.071 3.452 0.152 6 0 "[ . 1]" 1
367 1 72 MET HA 1 73 THR H 4.200 . 4.200 3.287 2.359 3.570 . 0 0 "[ . 1]" 1
368 1 72 MET QB 1 73 THR H 4.200 . 4.200 2.792 1.885 4.051 . 0 0 "[ . 1]" 1
369 1 73 THR H 1 73 THR HB 4.200 . 4.200 3.091 2.455 3.977 . 0 0 "[ . 1]" 1
370 1 73 THR H 1 73 THR MG 4.200 . 4.200 3.201 2.217 3.857 . 0 0 "[ . 1]" 1
371 1 73 THR H 1 74 LEU H 3.300 . 3.300 3.190 2.657 3.380 0.080 8 0 "[ . 1]" 1
372 1 73 THR H 1 74 LEU HA 5.500 . 5.500 5.207 4.877 5.616 0.116 7 0 "[ . 1]" 1
373 1 73 THR HA 1 74 LEU H 4.200 . 4.200 2.946 2.304 3.571 . 0 0 "[ . 1]" 1
374 1 73 THR HB 1 74 LEU H 4.200 . 4.200 3.662 1.944 4.394 0.194 6 0 "[ . 1]" 1
375 1 73 THR MG 1 74 LEU H 5.500 . 5.500 3.697 2.073 4.348 . 0 0 "[ . 1]" 1
376 1 74 LEU H 1 74 LEU QB . . 3.300 2.532 2.167 2.931 . 0 0 "[ . 1]" 1
377 1 74 LEU H 1 74 LEU QD 4.200 . 4.200 3.414 1.796 4.006 0.004 7 0 "[ . 1]" 1
378 1 74 LEU H 1 74 LEU HG 5.500 . 5.500 4.257 1.787 5.131 0.013 4 0 "[ . 1]" 1
379 1 74 LEU H 1 75 ARG H 5.500 . 5.500 4.118 3.078 4.640 . 0 0 "[ . 1]" 1
380 1 74 LEU HA 1 74 LEU QD 3.300 . 3.300 2.287 1.946 3.307 0.007 4 0 "[ . 1]" 1
381 1 74 LEU HA 1 75 ARG H 5.500 . 5.500 2.635 2.129 3.552 . 0 0 "[ . 1]" 1
382 1 74 LEU QB 1 75 ARG H 5.500 . 5.500 2.804 1.689 3.856 0.111 3 0 "[ . 1]" 1
383 1 74 LEU MD1 1 74 LEU MD2 2.800 . 2.800 2.061 2.017 2.087 . 0 0 "[ . 1]" 1
384 1 74 LEU QD 1 75 ARG H 4.200 . 4.200 2.946 2.125 3.568 . 0 0 "[ . 1]" 1
385 1 74 LEU QD 1 76 GLU QG 4.200 . 4.200 3.485 2.171 5.681 1.481 4 2 "[ +- 1]" 1
386 1 74 LEU QD 1 80 LEU H 5.500 . 5.500 5.942 3.692 8.504 3.004 7 4 "[ * - +* 1]" 1
387 1 74 LEU HG 1 76 GLU H 5.500 . 5.500 4.003 2.034 5.484 . 0 0 "[ . 1]" 1
388 1 75 ARG H 1 76 GLU H 4.200 . 4.200 2.522 1.839 3.789 . 0 0 "[ . 1]" 1
389 1 75 ARG H 1 76 GLU QB 5.500 . 5.500 4.274 3.594 5.321 . 0 0 "[ . 1]" 1
390 1 75 ARG HA 1 76 GLU H 5.500 . 5.500 3.099 2.485 3.575 . 0 0 "[ . 1]" 1
391 1 75 ARG HA 1 80 LEU QD 4.200 . 4.200 5.007 2.909 6.893 2.693 2 6 "[ +*** *-]" 1
392 1 75 ARG QB 1 76 GLU H 5.500 . 5.500 3.280 1.785 4.054 0.015 6 0 "[ . 1]" 1
393 1 76 GLU H 1 76 GLU QG 4.200 . 4.200 2.828 1.811 4.219 0.019 4 0 "[ . 1]" 1
394 1 76 GLU H 1 77 ARG H 5.500 . 5.500 3.728 1.753 4.624 0.047 1 0 "[ . 1]" 1
395 1 76 GLU H 1 79 ILE MD 4.200 . 4.200 4.591 2.364 6.661 2.461 3 4 "[ + -* * 1]" 1
396 1 76 GLU H 1 80 LEU QD 5.500 . 5.500 4.804 4.059 6.063 0.563 2 1 "[ + . 1]" 1
397 1 76 GLU HA 1 77 ARG H 3.300 . 3.300 2.705 2.200 3.507 0.207 2 0 "[ . 1]" 1
398 1 76 GLU HA 1 77 ARG HA . . 4.200 4.717 4.368 5.336 1.136 2 3 "[*+ . - 1]" 1
399 1 76 GLU HA 1 77 ARG QB 4.200 . 4.200 4.205 3.849 4.481 0.281 4 0 "[ . 1]" 1
400 1 76 GLU QB 1 77 ARG H 5.500 . 5.500 2.850 1.778 3.652 0.022 10 0 "[ . 1]" 1
401 1 76 GLU QB 1 79 ILE HB 4.200 . 4.200 4.311 3.262 5.339 1.139 5 3 "[ * + -1]" 1
402 1 76 GLU QB 1 79 ILE MD 3.300 . 3.300 2.631 2.013 3.318 0.018 3 0 "[ . 1]" 1
403 1 76 GLU QB 1 79 ILE MG 4.200 . 4.200 4.358 2.782 5.640 1.440 5 5 "[* *-+ *1]" 1
404 1 76 GLU QG 1 77 ARG H 5.500 . 5.500 3.660 2.156 4.300 . 0 0 "[ . 1]" 1
405 1 76 GLU QG 1 79 ILE MD 4.200 . 4.200 3.534 2.554 4.240 0.040 3 0 "[ . 1]" 1
406 1 76 GLU QG 1 79 ILE MG 4.200 . 4.200 5.329 4.084 6.492 2.292 5 6 "[* -*+* *1]" 1
407 1 77 ARG H 1 77 ARG QB 3.300 . 3.300 2.781 2.297 3.402 0.102 3 0 "[ . 1]" 1
408 1 77 ARG H 1 77 ARG QD 5.500 . 5.500 3.967 1.822 5.503 0.003 2 0 "[ . 1]" 1
409 1 77 ARG HA 1 80 LEU H 4.200 . 4.200 3.774 3.221 4.718 0.518 5 1 "[ + 1]" 1
410 1 77 ARG HA 1 80 LEU QB 4.200 . 4.200 4.344 3.477 5.050 0.850 2 3 "[ + - *]" 1
411 1 77 ARG HA 1 80 LEU QD 4.200 . 4.200 2.754 2.134 3.263 . 0 0 "[ . 1]" 1
412 1 77 ARG QB 1 78 HIS HA 5.500 . 5.500 4.304 3.718 5.366 . 0 0 "[ . 1]" 1
413 1 78 HIS HA 1 79 ILE H 4.200 . 4.200 3.317 2.683 3.504 . 0 0 "[ . 1]" 1
414 1 78 HIS HA 1 81 GLN H 4.200 . 4.200 4.081 3.778 4.301 0.101 9 0 "[ . 1]" 1
415 1 78 HIS HA 1 81 GLN QB . . 4.200 4.124 3.648 4.504 0.304 2 0 "[ . 1]" 1
416 1 78 HIS QB 1 79 ILE H . . 4.200 2.996 1.893 3.491 . 0 0 "[ . 1]" 1
417 1 79 ILE H 1 79 ILE HB 4.200 . 4.200 3.003 2.409 3.710 . 0 0 "[ . 1]" 1
418 1 79 ILE H 1 79 ILE MD 4.200 . 4.200 3.743 3.499 4.300 0.100 5 0 "[ . 1]" 1
419 1 79 ILE H 1 79 ILE QG 4.200 . 4.200 2.191 1.808 2.627 . 0 0 "[ . 1]" 1
420 1 79 ILE H 1 79 ILE MG 4.200 . 4.200 3.507 2.746 3.941 . 0 0 "[ . 1]" 1
421 1 79 ILE H 1 80 LEU H 4.200 . 4.200 2.322 2.039 3.368 . 0 0 "[ . 1]" 1
422 1 79 ILE HA 1 79 ILE MD 4.200 . 4.200 3.892 3.652 4.139 . 0 0 "[ . 1]" 1
423 1 79 ILE HA 1 79 ILE MG 3.300 . 3.300 2.302 2.224 2.367 . 0 0 "[ . 1]" 1
424 1 79 ILE HA 1 82 GLN QB 4.200 . 4.200 2.801 2.303 3.645 . 0 0 "[ . 1]" 1
425 1 79 ILE HA 1 82 GLN QG 4.200 . 4.200 3.199 2.427 4.208 0.008 9 0 "[ . 1]" 1
426 1 79 ILE HB 1 79 ILE MD 3.300 . 3.300 2.336 2.260 2.506 . 0 0 "[ . 1]" 1
427 1 79 ILE HB 1 80 LEU H 4.200 . 4.200 3.054 2.564 4.156 . 0 0 "[ . 1]" 1
428 1 79 ILE MD 1 80 LEU H 4.200 . 4.200 4.405 3.587 4.812 0.612 8 3 "[ * . + -]" 1
429 1 79 ILE MD 1 119 LEU HA 4.200 . 4.200 4.090 3.337 4.503 0.303 3 0 "[ . 1]" 1
430 1 79 ILE QG 1 79 ILE MG 3.300 . 3.300 2.277 2.188 2.414 . 0 0 "[ . 1]" 1
431 1 79 ILE QG 1 80 LEU H 5.500 . 5.500 3.391 1.826 4.078 . 0 0 "[ . 1]" 1
432 1 79 ILE MG 1 80 LEU H 4.200 . 4.200 3.813 3.359 4.221 0.021 2 0 "[ . 1]" 1
433 1 79 ILE MG 1 83 ILE H 4.200 . 4.200 4.563 3.635 6.011 1.811 7 3 "[ * . + -1]" 1
434 1 79 ILE MG 1 118 TYR QB 4.200 . 4.200 3.535 2.718 4.302 0.102 8 0 "[ . 1]" 1
435 1 79 ILE MG 1 118 TYR QD 4.200 . 4.200 4.048 3.246 5.489 1.289 2 2 "[ + . -1]" 1
436 1 79 ILE MG 1 118 TYR QE 4.200 . 4.200 4.828 2.211 6.914 2.714 2 7 "[*+ -*** *1]" 1
437 1 79 ILE MG 1 119 LEU HA 5.500 3.100 5.500 4.613 3.388 5.679 0.179 9 0 "[ . 1]" 1
438 1 80 LEU H 1 80 LEU QB . . 3.300 2.551 2.244 2.718 . 0 0 "[ . 1]" 1
439 1 80 LEU H 1 80 LEU QD . . 4.200 2.550 1.733 2.967 0.067 6 0 "[ . 1]" 1
440 1 80 LEU H 1 80 LEU HG 3.300 . 3.300 2.085 1.761 3.637 0.337 6 0 "[ . 1]" 1
441 1 80 LEU H 1 81 GLN H 4.200 . 4.200 2.798 2.628 2.857 . 0 0 "[ . 1]" 1
442 1 80 LEU H 1 82 GLN H 5.500 . 5.500 4.047 3.859 4.305 . 0 0 "[ . 1]" 1
443 1 80 LEU HA 1 80 LEU QD 3.300 . 3.300 2.265 1.964 3.322 0.022 9 0 "[ . 1]" 1
444 1 80 LEU HA 1 80 LEU HG 3.300 . 3.300 3.118 2.595 3.562 0.262 6 0 "[ . 1]" 1
445 1 80 LEU HA 1 81 GLN H 4.200 . 4.200 3.527 3.499 3.554 . 0 0 "[ . 1]" 1
446 1 80 LEU HA 1 83 ILE HB 4.200 . 4.200 2.717 2.406 3.155 . 0 0 "[ . 1]" 1
447 1 80 LEU HA 1 83 ILE MD 3.300 . 3.300 2.437 2.287 2.973 . 0 0 "[ . 1]" 1
448 1 80 LEU HA 1 83 ILE MG 4.200 . 4.200 4.125 3.859 4.389 0.189 10 0 "[ . 1]" 1
449 1 80 LEU HA 1 84 VAL H 5.500 . 5.500 4.179 3.748 5.505 0.005 10 0 "[ . 1]" 1
450 1 80 LEU QB 1 80 LEU QD . . 2.800 1.928 1.899 2.013 . 0 0 "[ . 1]" 1
451 1 80 LEU QB 1 81 GLN H 4.200 . 4.200 2.666 2.374 3.363 . 0 0 "[ . 1]" 1
452 1 80 LEU QD 1 81 GLN H 5.500 . 5.500 3.870 2.963 4.077 . 0 0 "[ . 1]" 1
453 1 81 GLN H 1 81 GLN QG . . 4.200 2.827 1.779 3.970 0.021 6 0 "[ . 1]" 1
454 1 81 GLN H 1 82 GLN H 4.200 . 4.200 2.575 2.442 2.689 . 0 0 "[ . 1]" 1
455 1 81 GLN H 1 83 ILE H 5.500 . 5.500 4.042 3.851 4.371 . 0 0 "[ . 1]" 1
456 1 81 GLN H 1 84 VAL QG 5.500 . 5.500 4.673 4.345 4.932 . 0 0 "[ . 1]" 1
457 1 81 GLN HA 1 82 GLN H 4.200 . 4.200 3.418 3.299 3.558 . 0 0 "[ . 1]" 1
458 1 81 GLN HA 1 84 VAL H 4.200 . 4.200 3.776 3.158 4.289 0.089 3 0 "[ . 1]" 1
459 1 81 GLN HA 1 84 VAL HB 4.200 . 4.200 3.307 2.479 3.707 . 0 0 "[ . 1]" 1
460 1 81 GLN HA 1 84 VAL QG 4.200 . 4.200 3.401 2.436 3.933 . 0 0 "[ . 1]" 1
461 1 81 GLN HA 1 85 ASN H 5.500 . 5.500 4.089 3.621 4.608 . 0 0 "[ . 1]" 1
462 1 81 GLN QB 1 82 GLN H . . 4.200 3.143 2.424 3.778 . 0 0 "[ . 1]" 1
463 1 81 GLN QG 1 82 GLN H 5.500 . 5.500 3.626 2.665 4.385 . 0 0 "[ . 1]" 1
464 1 82 GLN H 1 82 GLN QG 4.200 . 4.200 2.757 1.834 4.104 . 0 0 "[ . 1]" 1
465 1 82 GLN H 1 83 ILE H 4.200 . 4.200 2.307 1.972 2.779 . 0 0 "[ . 1]" 1
466 1 82 GLN H 1 83 ILE HB 5.500 . 5.500 4.359 4.087 4.908 . 0 0 "[ . 1]" 1
467 1 82 GLN H 1 83 ILE MD 5.500 . 5.500 4.504 3.152 5.178 . 0 0 "[ . 1]" 1
468 1 82 GLN H 1 84 VAL H 5.500 . 5.500 4.047 3.786 4.317 . 0 0 "[ . 1]" 1
469 1 82 GLN H 1 84 VAL HB 5.500 . 5.500 5.400 5.135 5.570 0.070 1 0 "[ . 1]" 1
470 1 82 GLN H 1 84 VAL QG 4.200 . 4.200 4.765 4.411 5.033 0.833 4 7 "[* +*-***1]" 1
471 1 82 GLN H 1 85 ASN H 5.500 . 5.500 4.893 4.524 5.132 . 0 0 "[ . 1]" 1
472 1 82 GLN HA 1 83 ILE H 4.200 . 4.200 3.404 3.298 3.544 . 0 0 "[ . 1]" 1
473 1 82 GLN HA 1 83 ILE HA 5.500 . 5.500 4.673 4.596 4.808 . 0 0 "[ . 1]" 1
474 1 82 GLN HA 1 85 ASN H 4.200 . 4.200 3.943 3.087 4.226 0.026 7 0 "[ . 1]" 1
475 1 82 GLN QB 1 83 ILE H 4.200 . 4.200 3.084 2.559 3.396 . 0 0 "[ . 1]" 1
476 1 82 GLN QG 1 83 ILE H 5.500 . 5.500 4.200 3.774 4.497 . 0 0 "[ . 1]" 1
477 1 82 GLN QG 1 118 TYR QE 4.200 . 4.200 6.245 4.508 7.330 3.130 2 9 "[*+****-* *]" 1
478 1 83 ILE H 1 83 ILE HB . . 3.300 2.414 2.299 2.492 . 0 0 "[ . 1]" 1
479 1 83 ILE H 1 83 ILE MD 4.200 . 4.200 3.485 2.289 3.752 . 0 0 "[ . 1]" 1
480 1 83 ILE H 1 83 ILE QG 4.200 . 4.200 2.659 2.219 3.546 . 0 0 "[ . 1]" 1
481 1 83 ILE H 1 85 ASN H 5.500 . 5.500 3.910 3.654 4.404 . 0 0 "[ . 1]" 1
482 1 83 ILE H 1 115 LEU QD 5.500 . 5.500 4.990 4.735 5.341 . 0 0 "[ . 1]" 1
483 1 83 ILE HA 1 83 ILE MD 4.200 . 4.200 3.712 2.843 3.824 . 0 0 "[ . 1]" 1
484 1 83 ILE HA 1 83 ILE MG 3.300 . 3.300 2.401 2.304 2.545 . 0 0 "[ . 1]" 1
485 1 83 ILE HA 1 84 VAL H 5.500 . 5.500 3.535 3.339 3.602 . 0 0 "[ . 1]" 1
486 1 83 ILE HA 1 84 VAL HA 5.500 . 5.500 4.770 4.613 4.847 . 0 0 "[ . 1]" 1
487 1 83 ILE HA 1 85 ASN H 5.500 . 5.500 4.640 4.362 4.940 . 0 0 "[ . 1]" 1
488 1 83 ILE HA 1 86 LEU H 4.200 . 4.200 3.708 3.387 4.111 . 0 0 "[ . 1]" 1
489 1 83 ILE HA 1 86 LEU QD 5.500 . 5.500 3.297 2.744 3.641 . 0 0 "[ . 1]" 1
490 1 83 ILE HA 1 115 LEU QD 3.300 . 3.300 3.040 2.588 3.336 0.036 10 0 "[ . 1]" 1
491 1 83 ILE HA 1 118 TYR QD 5.500 . 5.500 5.716 4.828 6.654 1.154 10 3 "[ - . * +]" 1
492 1 83 ILE HA 1 118 TYR QE 5.500 . 5.500 5.493 5.088 5.807 0.307 2 0 "[ . 1]" 1
493 1 83 ILE HB 1 83 ILE MD 3.300 . 3.300 2.296 2.236 2.369 . 0 0 "[ . 1]" 1
494 1 83 ILE HB 1 84 VAL H 4.200 . 4.200 2.701 2.423 3.415 . 0 0 "[ . 1]" 1
495 1 83 ILE HB 1 84 VAL HA 5.500 . 5.500 4.442 4.205 4.713 . 0 0 "[ . 1]" 1
496 1 83 ILE HB 1 84 VAL QG 5.500 . 5.500 3.156 2.908 3.398 . 0 0 "[ . 1]" 1
497 1 83 ILE MD 1 118 TYR QD 4.200 . 4.200 4.739 3.924 5.458 1.258 10 6 "[-** . ** +]" 1
498 1 83 ILE QG 1 83 ILE MG . . 2.800 2.253 2.048 2.298 . 0 0 "[ . 1]" 1
499 1 83 ILE QG 1 84 VAL H 4.200 . 4.200 4.162 3.940 4.341 0.141 9 0 "[ . 1]" 1
500 1 83 ILE QG 1 115 LEU QD 4.200 . 4.200 2.318 1.979 2.907 . 0 0 "[ . 1]" 1
501 1 83 ILE QG 1 118 TYR QD 5.500 . 5.500 4.194 3.399 5.085 . 0 0 "[ . 1]" 1
502 1 83 ILE MG 1 84 VAL H 4.200 . 4.200 3.299 2.696 3.884 . 0 0 "[ . 1]" 1
503 1 83 ILE MG 1 84 VAL HA 4.200 . 4.200 3.331 2.956 3.729 . 0 0 "[ . 1]" 1
504 1 83 ILE MG 1 84 VAL QG . . 4.200 3.195 2.864 3.466 . 0 0 "[ . 1]" 1
505 1 83 ILE MG 1 85 ASN H 4.200 . 4.200 5.054 4.601 5.454 1.254 10 9 "[**-***** +]" 1
506 1 83 ILE MG 1 87 ILE MD 4.200 . 4.200 3.344 2.498 3.644 . 0 0 "[ . 1]" 1
507 1 83 ILE MG 1 87 ILE QG 5.500 . 5.500 3.239 2.806 4.104 . 0 0 "[ . 1]" 1
508 1 83 ILE MG 1 100 PHE QE 5.500 . 5.500 3.916 2.907 5.993 0.493 5 0 "[ . 1]" 1
509 1 83 ILE MG 1 102 PHE QE 4.200 . 4.200 3.469 2.601 4.200 . 0 0 "[ . 1]" 1
510 1 83 ILE MG 1 118 TYR QD 5.500 . 5.500 5.913 5.085 6.719 1.219 10 4 "[ * . -* +]" 1
511 1 84 VAL H 1 84 VAL HB 4.200 . 4.200 2.525 2.336 2.651 . 0 0 "[ . 1]" 1
512 1 84 VAL H 1 84 VAL QG . . 3.300 2.105 1.841 2.598 . 0 0 "[ . 1]" 1
513 1 84 VAL H 1 85 ASN H 4.200 . 4.200 2.638 2.166 2.831 . 0 0 "[ . 1]" 1
514 1 84 VAL H 1 87 ILE QG 5.500 . 5.500 5.272 4.501 6.470 0.970 1 3 "[+ .*- 1]" 1
515 1 84 VAL HA 1 84 VAL QG 3.300 . 3.300 2.095 2.056 2.134 . 0 0 "[ . 1]" 1
516 1 84 VAL HA 1 85 ASN H 4.200 . 4.200 3.558 3.543 3.569 . 0 0 "[ . 1]" 1
517 1 84 VAL HA 1 87 ILE QG 5.500 . 5.500 3.749 3.060 4.773 . 0 0 "[ . 1]" 1
518 1 84 VAL HA 1 88 GLU H 5.500 . 5.500 4.271 4.019 4.525 . 0 0 "[ . 1]" 1
519 1 84 VAL HA 1 93 PHE QE 5.500 . 5.500 6.168 4.330 6.697 1.197 9 9 [****.**-+*] 1
520 1 84 VAL HA 1 93 PHE HZ 5.500 . 5.500 7.611 4.009 8.262 2.762 2 9 [-+**.*****] 1
521 1 84 VAL HB 1 85 ASN H 4.200 . 4.200 2.502 2.435 2.611 . 0 0 "[ . 1]" 1
522 1 84 VAL HB 1 93 PHE QE 5.500 . 5.500 7.322 6.194 7.678 2.178 2 10 [*+**-*****] 1
523 1 84 VAL MG1 1 84 VAL MG2 2.800 . 2.800 2.078 2.056 2.093 . 0 0 "[ . 1]" 1
524 1 84 VAL QG 1 85 ASN H 4.200 . 4.200 3.144 2.933 3.222 . 0 0 "[ . 1]" 1
525 1 84 VAL QG 1 85 ASN HA 5.500 . 5.500 3.403 3.152 3.673 . 0 0 "[ . 1]" 1
526 1 84 VAL QG 1 87 ILE H 5.500 . 5.500 4.495 4.193 4.693 . 0 0 "[ . 1]" 1
527 1 84 VAL QG 1 88 GLU H 5.500 . 5.500 4.027 3.807 4.196 . 0 0 "[ . 1]" 1
528 1 84 VAL QG 1 93 PHE QE 4.200 . 4.200 4.231 3.283 4.481 0.281 2 0 "[ . 1]" 1
529 1 84 VAL QG 1 93 PHE HZ 4.200 . 4.200 5.536 3.922 5.979 1.779 6 9 [-***.+****] 1
530 1 84 VAL QG 1 100 PHE QD 4.200 . 4.200 3.339 2.939 4.218 0.018 5 0 "[ . 1]" 1
531 1 85 ASN H 1 86 LEU H 4.200 . 4.200 2.679 2.609 2.797 . 0 0 "[ . 1]" 1
532 1 85 ASN HA 1 86 LEU H 5.500 . 5.500 3.549 3.522 3.577 . 0 0 "[ . 1]" 1
533 1 85 ASN HA 1 88 GLU H 4.200 . 4.200 3.235 3.090 3.424 . 0 0 "[ . 1]" 1
534 1 86 LEU H 1 86 LEU HG 4.200 . 4.200 4.317 3.963 4.500 0.300 1 0 "[ . 1]" 1
535 1 86 LEU H 1 87 ILE H 4.200 . 4.200 2.861 2.673 3.003 . 0 0 "[ . 1]" 1
536 1 86 LEU H 1 88 GLU H 5.500 . 5.500 4.055 3.900 4.116 . 0 0 "[ . 1]" 1
537 1 86 LEU H 1 89 GLU H 5.500 . 5.500 5.140 4.969 5.272 . 0 0 "[ . 1]" 1
538 1 86 LEU HA 1 86 LEU QD 3.300 . 3.300 2.231 2.124 2.314 . 0 0 "[ . 1]" 1
539 1 86 LEU HA 1 86 LEU HG 4.200 . 4.200 2.539 2.309 2.862 . 0 0 "[ . 1]" 1
540 1 86 LEU HA 1 87 ILE H 5.500 . 5.500 3.545 3.469 3.567 . 0 0 "[ . 1]" 1
541 1 86 LEU HA 1 89 GLU H 4.200 . 4.200 3.959 3.791 4.235 0.035 5 0 "[ . 1]" 1
542 1 86 LEU HA 1 89 GLU QB 4.200 . 4.200 3.704 3.353 4.130 . 0 0 "[ . 1]" 1
543 1 86 LEU QB 1 87 ILE HA 5.500 . 5.500 3.954 3.730 4.123 . 0 0 "[ . 1]" 1
544 1 86 LEU QD 1 89 GLU H 5.500 . 5.500 5.161 5.028 5.318 . 0 0 "[ . 1]" 1
545 1 86 LEU QD 1 89 GLU QB 5.500 . 5.500 4.434 4.120 4.798 . 0 0 "[ . 1]" 1
546 1 86 LEU QD 1 114 LYS QB 4.200 . 4.200 3.100 2.577 4.029 . 0 0 "[ . 1]" 1
547 1 86 LEU QD 1 114 LYS QG 4.200 . 4.200 3.818 3.141 4.209 0.009 10 0 "[ . 1]" 1
548 1 86 LEU QD 1 118 TYR QE 4.200 . 4.200 3.465 2.437 4.435 0.235 8 0 "[ . 1]" 1
549 1 86 LEU HG 1 114 LYS QB 4.200 . 4.200 5.405 4.643 5.917 1.717 3 9 [**+*****-1] 1
550 1 87 ILE H 1 87 ILE HB 4.200 . 4.200 2.507 2.188 2.804 . 0 0 "[ . 1]" 1
551 1 87 ILE H 1 87 ILE MD 4.200 . 4.200 2.599 1.930 3.366 . 0 0 "[ . 1]" 1
552 1 87 ILE H 1 87 ILE QG 4.200 . 4.200 2.462 1.786 3.608 0.014 5 0 "[ . 1]" 1
553 1 87 ILE H 1 87 ILE MG 4.200 . 4.200 3.710 3.597 3.791 . 0 0 "[ . 1]" 1
554 1 87 ILE H 1 88 GLU H 4.200 . 4.200 2.469 2.209 2.604 . 0 0 "[ . 1]" 1
555 1 87 ILE H 1 89 GLU H 5.500 . 5.500 4.191 3.940 4.514 . 0 0 "[ . 1]" 1
556 1 87 ILE HA 1 87 ILE MD 3.300 . 3.300 2.167 2.079 2.312 . 0 0 "[ . 1]" 1
557 1 87 ILE HA 1 88 GLU H 5.500 . 5.500 3.506 3.477 3.548 . 0 0 "[ . 1]" 1
558 1 87 ILE HA 1 89 GLU H 5.500 . 5.500 3.962 3.750 4.254 . 0 0 "[ . 1]" 1
559 1 87 ILE HA 1 90 THR H 5.500 . 5.500 3.188 2.990 3.591 . 0 0 "[ . 1]" 1
560 1 87 ILE HA 1 90 THR HA 5.500 . 5.500 5.198 5.069 5.706 0.206 1 0 "[ . 1]" 1
561 1 87 ILE HA 1 90 THR MG 3.300 . 3.300 2.272 2.057 2.936 . 0 0 "[ . 1]" 1
562 1 87 ILE HA 1 111 THR MG 5.500 . 5.500 4.113 3.659 4.481 . 0 0 "[ . 1]" 1
563 1 87 ILE HB 1 88 GLU H 4.200 . 4.200 2.815 2.653 3.040 . 0 0 "[ . 1]" 1
564 1 87 ILE HB 1 89 GLU H 5.500 . 5.500 5.110 4.838 5.352 . 0 0 "[ . 1]" 1
565 1 87 ILE HB 1 91 GLY H 5.500 . 5.500 6.400 5.196 8.119 2.619 1 7 "[+ *****-1]" 1
566 1 87 ILE HB 1 93 PHE QE 5.500 . 5.500 5.000 2.387 5.637 0.137 6 0 "[ . 1]" 1
567 1 87 ILE HB 1 93 PHE HZ 5.500 . 5.500 6.212 3.360 6.928 1.428 7 9 [****.*+**-] 1
568 1 87 ILE MD 1 87 ILE MG 3.300 . 3.300 2.264 1.796 3.239 0.004 10 0 "[ . 1]" 1
569 1 87 ILE MD 1 88 GLU H 5.500 . 5.500 4.296 3.903 4.651 . 0 0 "[ . 1]" 1
570 1 87 ILE MD 1 90 THR MG 3.300 . 3.300 2.986 2.408 3.564 0.264 1 0 "[ . 1]" 1
571 1 87 ILE MD 1 102 PHE QD 4.200 . 4.200 4.012 3.563 4.472 0.272 5 0 "[ . 1]" 1
572 1 87 ILE MD 1 102 PHE QE 4.200 . 4.200 3.812 3.444 4.077 . 0 0 "[ . 1]" 1
573 1 87 ILE MD 1 104 LEU QD 5.500 . 5.500 3.447 2.886 4.461 . 0 0 "[ . 1]" 1
574 1 87 ILE MD 1 107 LEU QD 4.200 . 4.200 2.689 2.098 3.377 . 0 0 "[ . 1]" 1
575 1 87 ILE MD 1 111 THR MG 3.300 . 3.300 2.710 2.030 3.272 . 0 0 "[ . 1]" 1
576 1 87 ILE MD 1 115 LEU QD 3.300 . 3.300 2.724 2.252 3.873 0.573 4 1 "[ +. 1]" 1
577 1 87 ILE MD 1 115 LEU HG 4.200 . 4.200 4.493 3.591 4.958 0.758 10 4 "[ -*. * +]" 1
578 1 87 ILE QG 1 88 GLU H 5.500 . 5.500 4.067 3.588 4.668 . 0 0 "[ . 1]" 1
579 1 87 ILE MG 1 88 GLU H 4.200 . 4.200 3.589 3.134 3.899 . 0 0 "[ . 1]" 1
580 1 87 ILE MG 1 91 GLY H 5.500 . 5.500 3.905 3.012 5.149 . 0 0 "[ . 1]" 1
581 1 87 ILE MG 1 92 HIS H 5.500 . 5.500 4.500 3.660 5.107 . 0 0 "[ . 1]" 1
582 1 87 ILE MG 1 93 PHE H 5.500 . 5.500 4.601 4.319 6.304 0.804 5 1 "[ + 1]" 1
583 1 87 ILE MG 1 93 PHE HA 4.200 . 4.200 4.120 3.896 5.423 1.223 5 1 "[ + 1]" 1
584 1 87 ILE MG 1 93 PHE QB 4.200 . 4.200 2.313 1.930 4.949 0.749 5 1 "[ + 1]" 1
585 1 87 ILE MG 1 93 PHE QD 4.200 . 4.200 2.833 2.227 3.148 . 0 0 "[ . 1]" 1
586 1 87 ILE MG 1 93 PHE QE 4.200 . 4.200 3.776 2.064 4.290 0.090 9 0 "[ . 1]" 1
587 1 87 ILE MG 1 93 PHE HZ 5.500 . 5.500 4.961 3.669 5.548 0.048 9 0 "[ . 1]" 1
588 1 87 ILE MG 1 94 HIS H 5.500 . 5.500 5.445 5.020 7.026 1.526 5 1 "[ + 1]" 1
589 1 87 ILE MG 1 102 PHE QB 4.200 . 4.200 2.572 2.150 3.586 . 0 0 "[ . 1]" 1
590 1 87 ILE MG 1 102 PHE QD 4.200 . 4.200 2.927 2.254 3.199 . 0 0 "[ . 1]" 1
591 1 87 ILE MG 1 102 PHE QE 4.200 . 4.200 4.112 2.751 4.455 0.255 1 0 "[ . 1]" 1
592 1 87 ILE MG 1 107 LEU QD 4.200 . 4.200 2.656 1.924 3.374 . 0 0 "[ . 1]" 1
593 1 88 GLU H 1 89 GLU H 4.200 . 4.200 2.800 2.646 3.097 . 0 0 "[ . 1]" 1
594 1 88 GLU H 1 93 PHE QE 5.500 . 5.500 4.951 4.423 5.206 . 0 0 "[ . 1]" 1
595 1 88 GLU H 1 93 PHE HZ 5.500 . 5.500 5.592 5.218 5.745 0.245 10 0 "[ . 1]" 1
596 1 88 GLU HA 1 89 GLU H 5.500 . 5.500 3.530 3.488 3.579 . 0 0 "[ . 1]" 1
597 1 88 GLU HA 1 91 GLY H 5.500 . 5.500 5.094 3.682 5.646 0.146 8 0 "[ . 1]" 1
598 1 88 GLU HA 1 93 PHE QD 4.200 . 4.200 3.947 3.442 4.299 0.099 10 0 "[ . 1]" 1
599 1 88 GLU HA 1 93 PHE QE 5.500 . 5.500 3.176 2.345 4.428 . 0 0 "[ . 1]" 1
600 1 88 GLU HA 1 93 PHE HZ 5.500 . 5.500 3.267 2.827 5.742 0.242 5 0 "[ . 1]" 1
601 1 88 GLU QB 1 89 GLU H 5.500 . 5.500 2.638 2.322 2.879 . 0 0 "[ . 1]" 1
602 1 88 GLU QB 1 93 PHE QE 5.500 . 5.500 4.237 3.984 5.073 . 0 0 "[ . 1]" 1
603 1 89 GLU H 1 89 GLU QB 3.300 . 3.300 2.290 2.199 2.395 . 0 0 "[ . 1]" 1
604 1 89 GLU H 1 89 GLU QG 4.200 . 4.200 3.288 2.221 4.063 . 0 0 "[ . 1]" 1
605 1 89 GLU H 1 90 THR H 4.200 . 4.200 2.584 2.365 2.791 . 0 0 "[ . 1]" 1
606 1 89 GLU H 1 90 THR MG 5.500 . 5.500 3.747 3.641 4.034 . 0 0 "[ . 1]" 1
607 1 89 GLU HA 1 90 THR H 4.200 . 4.200 3.496 3.395 3.534 . 0 0 "[ . 1]" 1
608 1 89 GLU HA 1 91 GLY H 5.500 . 5.500 5.779 3.716 6.342 0.842 8 4 "[ .**+ -]" 1
609 1 89 GLU QB 1 90 THR H 4.200 . 4.200 2.857 2.583 3.527 . 0 0 "[ . 1]" 1
610 1 89 GLU QB 1 90 THR MG 4.200 . 4.200 3.240 2.846 4.113 . 0 0 "[ . 1]" 1
611 1 89 GLU QG 1 90 THR H 5.500 . 5.500 3.988 2.041 4.576 . 0 0 "[ . 1]" 1
612 1 90 THR H 1 90 THR MG 3.300 . 3.300 1.950 1.789 2.197 0.011 6 0 "[ . 1]" 1
613 1 90 THR H 1 92 HIS H 5.500 . 5.500 5.748 4.103 7.278 1.778 10 3 "[-* . +]" 1
614 1 90 THR HA 1 90 THR MG 3.300 . 3.300 2.511 2.360 3.186 . 0 0 "[ . 1]" 1
615 1 90 THR HB 1 92 HIS H 4.200 . 4.200 4.209 2.878 7.772 3.572 1 3 "[+* . -]" 1
616 1 90 THR HB 1 92 HIS HD1 4.200 . 4.200 5.176 2.474 7.888 3.688 1 5 "[+* *- *]" 1
617 1 90 THR MG 1 91 GLY H 5.500 . 5.500 3.604 3.426 4.327 . 0 0 "[ . 1]" 1
618 1 90 THR MG 1 92 HIS H 5.500 . 5.500 5.015 4.093 7.049 1.549 2 3 "[-+ . *]" 1
619 1 90 THR MG 1 92 HIS HD1 4.200 . 4.200 5.754 4.095 7.699 3.499 10 8 "[***** -* +]" 1
620 1 90 THR MG 1 107 LEU QD 3.300 . 3.300 2.343 1.972 3.347 0.047 2 0 "[ . 1]" 1
621 1 90 THR MG 1 111 THR MG 4.200 . 4.200 3.145 2.317 3.849 . 0 0 "[ . 1]" 1
622 1 91 GLY H 1 92 HIS H 4.200 . 4.200 2.655 1.497 4.616 0.416 1 0 "[ . 1]" 1
623 1 91 GLY QA 1 92 HIS H 5.500 . 5.500 2.687 2.304 2.930 . 0 0 "[ . 1]" 1
624 1 92 HIS H 1 92 HIS HD1 5.500 . 5.500 3.642 2.066 4.679 . 0 0 "[ . 1]" 1
625 1 92 HIS H 1 93 PHE H 5.500 . 5.500 3.074 1.990 3.683 . 0 0 "[ . 1]" 1
626 1 92 HIS H 1 93 PHE QD 5.500 . 5.500 3.037 2.507 3.828 . 0 0 "[ . 1]" 1
627 1 92 HIS HA 1 93 PHE H 3.300 . 3.300 2.608 2.414 2.936 . 0 0 "[ . 1]" 1
628 1 92 HIS HA 1 93 PHE HA 5.500 . 5.500 4.393 4.378 4.437 . 0 0 "[ . 1]" 1
629 1 92 HIS QB 1 93 PHE H 5.500 . 5.500 3.939 3.836 4.041 . 0 0 "[ . 1]" 1
630 1 92 HIS QB 1 107 LEU QD 5.500 . 5.500 2.512 2.177 3.279 . 0 0 "[ . 1]" 1
631 1 92 HIS HD1 1 107 LEU HA 5.500 . 5.500 5.283 3.690 6.695 1.195 4 2 "[ +- 1]" 1
632 1 92 HIS HD1 1 107 LEU QD 4.200 . 4.200 3.094 2.246 3.794 . 0 0 "[ . 1]" 1
633 1 92 HIS HD1 1 108 ASP H 5.500 . 5.500 7.167 5.550 8.860 3.360 5 8 "[**-*+ ***]" 1
634 1 93 PHE H 1 93 PHE QD . . 4.200 2.317 1.900 3.835 . 0 0 "[ . 1]" 1
635 1 93 PHE H 1 93 PHE QE 5.500 . 5.500 4.135 3.827 5.983 0.483 5 0 "[ . 1]" 1
636 1 93 PHE H 1 94 HIS H 5.500 . 5.500 4.280 4.235 4.305 . 0 0 "[ . 1]" 1
637 1 93 PHE HA 1 93 PHE QD 4.200 . 4.200 3.589 2.791 3.719 . 0 0 "[ . 1]" 1
638 1 93 PHE HA 1 94 HIS H 4.200 . 4.200 2.177 2.145 2.196 . 0 0 "[ . 1]" 1
639 1 93 PHE HA 1 94 HIS QB 4.200 . 4.200 4.233 4.053 4.311 0.111 4 0 "[ . 1]" 1
640 1 93 PHE HA 1 102 PHE QB 4.200 . 4.200 2.701 2.423 2.973 . 0 0 "[ . 1]" 1
641 1 93 PHE HA 1 103 ASP H 5.500 . 5.500 3.917 3.638 4.904 . 0 0 "[ . 1]" 1
642 1 93 PHE QB 1 94 HIS H 4.200 . 4.200 3.149 3.077 3.536 . 0 0 "[ . 1]" 1
643 1 93 PHE QB 1 102 PHE QB 4.200 . 4.200 2.302 2.025 4.065 . 0 0 "[ . 1]" 1
644 1 93 PHE QD 1 94 HIS H 4.200 . 4.200 4.157 3.879 4.277 0.077 6 0 "[ . 1]" 1
645 1 93 PHE QD 1 95 ILE MD 4.200 . 4.200 2.531 2.337 2.759 . 0 0 "[ . 1]" 1
646 1 93 PHE QD 1 95 ILE QG . . 4.200 3.543 2.335 4.601 0.401 2 0 "[ . 1]" 1
647 1 93 PHE QE 1 95 ILE MD 4.200 . 4.200 2.450 2.167 4.304 0.104 5 0 "[ . 1]" 1
648 1 94 HIS H 1 95 ILE MD 5.500 . 5.500 5.212 3.515 5.603 0.103 7 0 "[ . 1]" 1
649 1 94 HIS H 1 100 PHE HA 5.500 . 5.500 5.172 5.037 5.406 . 0 0 "[ . 1]" 1
650 1 94 HIS H 1 101 ASP H 4.200 . 4.200 3.649 3.453 4.016 . 0 0 "[ . 1]" 1
651 1 94 HIS H 1 102 PHE HA 5.500 . 5.500 3.201 3.033 3.645 . 0 0 "[ . 1]" 1
652 1 94 HIS HA 1 95 ILE H 3.300 . 3.300 2.157 2.144 2.175 . 0 0 "[ . 1]" 1
653 1 94 HIS HA 1 95 ILE HB 5.500 . 5.500 4.337 4.215 4.473 . 0 0 "[ . 1]" 1
654 1 94 HIS HA 1 95 ILE MD 4.200 . 4.200 4.914 3.089 5.300 1.100 7 8 "[*-**.*+ **]" 1
655 1 94 HIS QB 1 95 ILE H 4.200 . 4.200 3.298 3.075 3.808 . 0 0 "[ . 1]" 1
656 1 94 HIS QB 1 101 ASP H 5.500 . 5.500 3.283 3.105 3.652 . 0 0 "[ . 1]" 1
657 1 95 ILE H 1 95 ILE HB 4.200 . 4.200 2.507 2.320 2.656 . 0 0 "[ . 1]" 1
658 1 95 ILE H 1 95 ILE MD 4.200 . 4.200 3.902 2.442 4.208 0.008 7 0 "[ . 1]" 1
659 1 95 ILE H 1 95 ILE QG 4.200 . 4.200 3.461 2.733 4.149 . 0 0 "[ . 1]" 1
660 1 95 ILE H 1 95 ILE MG 4.200 . 4.200 3.158 2.281 3.772 . 0 0 "[ . 1]" 1
661 1 95 ILE H 1 96 THR H 5.500 . 5.500 4.519 4.508 4.531 . 0 0 "[ . 1]" 1
662 1 95 ILE HA 1 95 ILE MD 4.200 . 4.200 2.246 2.111 2.297 . 0 0 "[ . 1]" 1
663 1 95 ILE HA 1 95 ILE MG 3.300 . 3.300 2.753 2.394 3.187 . 0 0 "[ . 1]" 1
664 1 95 ILE HA 1 96 THR H 3.300 . 3.300 2.247 2.202 2.283 . 0 0 "[ . 1]" 1
665 1 95 ILE HA 1 100 PHE HA 4.200 . 4.200 2.956 2.721 3.146 . 0 0 "[ . 1]" 1
666 1 95 ILE HA 1 101 ASP H 4.200 . 4.200 4.130 3.921 4.297 0.097 5 0 "[ . 1]" 1
667 1 95 ILE HB 1 95 ILE MD 3.300 . 3.300 2.736 2.219 3.234 . 0 0 "[ . 1]" 1
668 1 95 ILE HB 1 96 THR H 5.500 . 5.500 4.128 4.043 4.201 . 0 0 "[ . 1]" 1
669 1 95 ILE MD 1 96 THR H 4.200 . 4.200 3.333 3.095 4.174 . 0 0 "[ . 1]" 1
670 1 95 ILE MD 1 100 PHE HA 4.200 . 4.200 4.022 3.793 4.206 0.006 5 0 "[ . 1]" 1
671 1 95 ILE MD 1 100 PHE QB 4.200 . 4.200 2.344 2.257 2.631 . 0 0 "[ . 1]" 1
672 1 95 ILE MD 1 100 PHE QD 3.300 . 3.300 2.440 2.194 3.435 0.135 5 0 "[ . 1]" 1
673 1 95 ILE MD 1 102 PHE H 4.200 . 4.200 7.494 6.905 7.765 3.565 4 10 [***+-*****] 1
674 1 95 ILE QG 1 96 THR H 5.500 . 5.500 3.365 2.010 4.471 . 0 0 "[ . 1]" 1
675 1 95 ILE MG 1 96 THR H 3.300 . 3.300 2.634 2.109 3.353 0.053 10 0 "[ . 1]" 1
676 1 96 THR H 1 96 THR HB 4.200 . 4.200 3.365 3.328 3.404 . 0 0 "[ . 1]" 1
677 1 96 THR H 1 97 ASN H 5.500 . 5.500 4.286 4.257 4.322 . 0 0 "[ . 1]" 1
678 1 96 THR H 1 98 THR H 5.500 . 5.500 4.331 4.299 4.370 . 0 0 "[ . 1]" 1
679 1 96 THR H 1 99 THR H 5.500 . 5.500 3.726 3.638 3.786 . 0 0 "[ . 1]" 1
680 1 96 THR H 1 101 ASP H 5.500 . 5.500 5.321 5.225 5.404 . 0 0 "[ . 1]" 1
681 1 96 THR HA 1 97 ASN H 5.500 . 5.500 2.230 2.209 2.250 . 0 0 "[ . 1]" 1
682 1 96 THR HA 1 98 THR H 5.500 . 5.500 3.694 3.659 3.735 . 0 0 "[ . 1]" 1
683 1 96 THR HA 1 99 THR H 4.200 . 4.200 4.173 4.127 4.257 0.057 7 0 "[ . 1]" 1
684 1 96 THR HB 1 97 ASN H 3.300 . 3.300 3.485 3.445 3.523 0.223 4 0 "[ . 1]" 1
685 1 96 THR HB 1 98 THR H 4.200 . 4.200 2.220 2.207 2.245 . 0 0 "[ . 1]" 1
686 1 96 THR MG 1 97 ASN H 4.200 . 4.200 2.520 2.380 2.643 . 0 0 "[ . 1]" 1
687 1 96 THR MG 1 98 THR H 4.200 . 4.200 2.959 2.849 3.047 . 0 0 "[ . 1]" 1
688 1 96 THR MG 1 99 THR H 4.200 . 4.200 3.520 3.433 3.616 . 0 0 "[ . 1]" 1
689 1 97 ASN H 1 98 THR H 5.500 . 5.500 2.757 2.720 2.791 . 0 0 "[ . 1]" 1
690 1 97 ASN HA 1 98 THR H 5.500 . 5.500 3.293 3.264 3.354 . 0 0 "[ . 1]" 1
691 1 97 ASN QB 1 98 THR H 4.200 . 4.200 3.529 3.461 3.905 . 0 0 "[ . 1]" 1
692 1 97 ASN QB 1 98 THR MG . . 3.300 2.821 2.621 3.337 0.037 9 0 "[ . 1]" 1
693 1 98 THR H 1 99 THR H 4.200 . 4.200 1.707 1.685 1.740 0.115 1 0 "[ . 1]" 1
694 1 98 THR HA 1 98 THR MG 3.300 . 3.300 2.379 2.295 2.541 . 0 0 "[ . 1]" 1
695 1 98 THR HA 1 99 THR H 4.200 . 4.200 3.376 3.307 3.425 . 0 0 "[ . 1]" 1
696 1 98 THR HB 1 99 THR MG 4.200 . 4.200 4.144 3.188 5.767 1.567 3 2 "[- + . 1]" 1
697 1 99 THR H 1 99 THR MG 4.200 . 4.200 2.955 2.436 4.025 . 0 0 "[ . 1]" 1
698 1 99 THR H 1 100 PHE H 5.500 . 5.500 4.321 4.266 4.357 . 0 0 "[ . 1]" 1
699 1 99 THR HA 1 99 THR MG . . 3.300 2.904 2.185 3.200 . 0 0 "[ . 1]" 1
700 1 99 THR HA 1 100 PHE H 4.200 . 4.200 2.362 2.282 2.459 . 0 0 "[ . 1]" 1
701 1 99 THR HB 1 100 PHE H 4.200 . 4.200 3.665 2.867 3.848 . 0 0 "[ . 1]" 1
702 1 99 THR MG 1 100 PHE H 4.200 . 4.200 3.254 1.965 3.758 . 0 0 "[ . 1]" 1
703 1 100 PHE H 1 100 PHE QD 5.500 . 5.500 3.696 3.112 4.054 . 0 0 "[ . 1]" 1
704 1 100 PHE H 1 101 ASP H 5.500 . 5.500 4.067 3.970 4.117 . 0 0 "[ . 1]" 1
705 1 100 PHE HA 1 101 ASP H 3.300 . 3.300 2.147 2.129 2.183 . 0 0 "[ . 1]" 1
706 1 100 PHE HA 1 101 ASP HA 5.500 . 5.500 4.398 4.388 4.416 . 0 0 "[ . 1]" 1
707 1 100 PHE QB 1 101 ASP H 5.500 . 5.500 3.600 3.218 3.741 . 0 0 "[ . 1]" 1
708 1 100 PHE QD 1 101 ASP H 5.500 . 5.500 3.150 2.397 3.612 . 0 0 "[ . 1]" 1
709 1 100 PHE QE 1 102 PHE QE 5.500 . 5.500 3.286 2.584 4.769 . 0 0 "[ . 1]" 1
710 1 101 ASP HA 1 102 PHE H 3.300 . 3.300 2.709 2.671 2.732 . 0 0 "[ . 1]" 1
711 1 101 ASP HA 1 102 PHE QD 5.500 . 5.500 2.941 2.565 3.489 . 0 0 "[ . 1]" 1
712 1 101 ASP HA 1 102 PHE QE 5.500 . 5.500 3.777 3.484 4.293 . 0 0 "[ . 1]" 1
713 1 101 ASP QB 1 102 PHE H 4.200 . 4.200 1.807 1.786 1.868 0.014 3 0 "[ . 1]" 1
714 1 101 ASP QB 1 102 PHE QB 5.500 . 5.500 4.585 4.458 4.648 . 0 0 "[ . 1]" 1
715 1 102 PHE H 1 102 PHE QD 4.200 . 4.200 3.099 2.260 3.389 . 0 0 "[ . 1]" 1
716 1 102 PHE H 1 102 PHE QE 5.500 . 5.500 4.347 4.133 4.439 . 0 0 "[ . 1]" 1
717 1 102 PHE H 1 103 ASP H 5.500 . 5.500 4.351 4.340 4.358 . 0 0 "[ . 1]" 1
718 1 102 PHE HA 1 103 ASP H 4.200 . 4.200 2.455 2.414 2.539 . 0 0 "[ . 1]" 1
719 1 102 PHE QB 1 103 ASP H 4.200 . 4.200 2.358 2.242 2.466 . 0 0 "[ . 1]" 1
720 1 102 PHE QB 1 103 ASP HA 5.500 . 5.500 4.370 4.255 4.549 . 0 0 "[ . 1]" 1
721 1 102 PHE QB 1 104 LEU QD 4.200 . 4.200 4.137 3.607 4.682 0.482 1 0 "[ . 1]" 1
722 1 102 PHE QD 1 103 ASP H 5.500 . 5.500 3.584 3.275 3.862 . 0 0 "[ . 1]" 1
723 1 102 PHE QD 1 104 LEU QD 4.200 . 4.200 2.771 2.219 3.668 . 0 0 "[ . 1]" 1
724 1 102 PHE QD 1 107 LEU QD 4.200 . 4.200 3.205 3.002 3.488 . 0 0 "[ . 1]" 1
725 1 102 PHE QE 1 104 LEU QD 3.300 . 3.300 2.046 1.979 2.241 . 0 0 "[ . 1]" 1
726 1 102 PHE QE 1 107 LEU QD 4.200 . 4.200 4.244 3.820 4.385 0.185 3 0 "[ . 1]" 1
727 1 102 PHE QE 1 115 LEU QD 5.500 . 5.500 3.917 2.953 4.833 . 0 0 "[ . 1]" 1
728 1 103 ASP H 1 104 LEU H 5.500 . 5.500 4.211 3.997 4.315 . 0 0 "[ . 1]" 1
729 1 103 ASP H 1 106 SER H 5.500 . 5.500 5.552 5.351 5.756 0.256 9 0 "[ . 1]" 1
730 1 103 ASP HA 1 104 LEU H 4.200 . 4.200 2.154 2.110 2.217 . 0 0 "[ . 1]" 1
731 1 103 ASP HA 1 104 LEU HA 5.500 . 5.500 4.425 4.377 4.510 . 0 0 "[ . 1]" 1
732 1 103 ASP HA 1 105 CYS H 5.500 . 5.500 3.283 3.157 3.406 . 0 0 "[ . 1]" 1
733 1 103 ASP QB 1 104 LEU H 5.500 . 5.500 3.566 3.355 3.949 . 0 0 "[ . 1]" 1
734 1 103 ASP QB 1 106 SER H 5.500 . 5.500 3.788 3.177 4.197 . 0 0 "[ . 1]" 1
735 1 103 ASP QB 1 106 SER QB 5.500 . 5.500 3.484 2.730 4.412 . 0 0 "[ . 1]" 1
736 1 104 LEU H 1 104 LEU QD 4.200 . 4.200 2.371 1.714 3.069 0.086 3 0 "[ . 1]" 1
737 1 104 LEU H 1 104 LEU HG 3.300 . 3.300 2.317 2.078 2.736 . 0 0 "[ . 1]" 1
738 1 104 LEU H 1 105 CYS H 4.200 . 4.200 2.482 2.341 2.628 . 0 0 "[ . 1]" 1
739 1 104 LEU H 1 106 SER H 5.500 . 5.500 4.355 4.136 4.507 . 0 0 "[ . 1]" 1
740 1 104 LEU HA 1 104 LEU QD . . 3.300 2.705 2.185 3.202 . 0 0 "[ . 1]" 1
741 1 104 LEU HA 1 107 LEU H 5.500 . 5.500 3.037 2.741 3.658 . 0 0 "[ . 1]" 1
742 1 104 LEU HA 1 107 LEU QD . . 4.200 2.579 2.223 3.553 . 0 0 "[ . 1]" 1
743 1 104 LEU HA 1 107 LEU HG 5.500 . 5.500 2.845 2.323 3.849 . 0 0 "[ . 1]" 1
744 1 104 LEU QB 1 105 CYS H 4.200 . 4.200 3.316 3.109 3.417 . 0 0 "[ . 1]" 1
745 1 104 LEU QD 1 107 LEU H 5.500 . 5.500 4.841 4.348 5.732 0.232 1 0 "[ . 1]" 1
746 1 104 LEU QD 1 112 VAL HA 4.200 . 4.200 3.644 3.238 4.187 . 0 0 "[ . 1]" 1
747 1 104 LEU QD 1 115 LEU QD . . 3.300 2.698 2.228 3.945 0.645 4 1 "[ +. 1]" 1
748 1 105 CYS H 1 106 SER H 4.200 . 4.200 2.640 2.487 2.779 . 0 0 "[ . 1]" 1
749 1 105 CYS H 1 107 LEU H 5.500 . 5.500 4.247 4.094 4.519 . 0 0 "[ . 1]" 1
750 1 105 CYS HA 1 106 SER H . . 4.200 3.229 3.194 3.398 . 0 0 "[ . 1]" 1
751 1 105 CYS HA 1 107 LEU H 5.500 . 5.500 4.713 4.056 5.174 . 0 0 "[ . 1]" 1
752 1 105 CYS QB 1 106 SER H 5.500 . 5.500 3.599 3.148 3.939 . 0 0 "[ . 1]" 1
753 1 105 CYS QB 1 107 LEU H 5.500 . 5.500 5.278 4.987 5.771 0.271 1 0 "[ . 1]" 1
754 1 106 SER H 1 107 LEU H 3.300 . 3.300 1.946 1.784 2.307 0.016 9 0 "[ . 1]" 1
755 1 106 SER H 1 107 LEU QD 4.200 . 4.200 3.889 3.578 4.264 0.064 1 0 "[ . 1]" 1
756 1 106 SER H 1 107 LEU HG 5.500 . 5.500 3.311 3.003 3.820 . 0 0 "[ . 1]" 1
757 1 106 SER QB 1 107 LEU H 5.500 . 5.500 2.919 2.255 3.675 . 0 0 "[ . 1]" 1
758 1 106 SER QB 1 107 LEU QD 5.500 . 5.500 3.379 2.767 4.066 . 0 0 "[ . 1]" 1
759 1 107 LEU H 1 107 LEU QD 4.200 . 4.200 2.768 2.372 2.959 . 0 0 "[ . 1]" 1
760 1 107 LEU H 1 107 LEU HG 4.200 . 4.200 1.893 1.761 2.064 0.039 3 0 "[ . 1]" 1
761 1 107 LEU H 1 108 ASP H 5.500 . 5.500 4.607 4.571 4.626 . 0 0 "[ . 1]" 1
762 1 107 LEU HA 1 107 LEU QD . . 3.300 2.162 2.105 2.256 . 0 0 "[ . 1]" 1
763 1 107 LEU HA 1 108 ASP H 3.300 . 3.300 2.278 2.195 2.477 . 0 0 "[ . 1]" 1
764 1 107 LEU QB 1 108 ASP H 5.500 . 5.500 2.766 2.334 2.989 . 0 0 "[ . 1]" 1
765 1 107 LEU QB 1 111 THR MG 3.300 . 3.300 3.232 2.524 3.522 0.222 6 0 "[ . 1]" 1
766 1 107 LEU QD 1 108 ASP H 4.200 . 4.200 3.547 3.429 3.684 . 0 0 "[ . 1]" 1
767 1 107 LEU QD 1 111 THR HB 5.500 . 5.500 3.656 3.397 4.059 . 0 0 "[ . 1]" 1
768 1 108 ASP H 1 109 LYS H 5.500 . 5.500 4.643 4.578 4.668 . 0 0 "[ . 1]" 1
769 1 108 ASP H 1 111 THR H 5.500 . 5.500 4.633 4.277 4.957 . 0 0 "[ . 1]" 1
770 1 108 ASP H 1 111 THR HB 5.500 . 5.500 4.740 4.407 5.702 0.202 4 0 "[ . 1]" 1
771 1 108 ASP H 1 111 THR MG 5.500 . 5.500 5.094 3.892 5.490 . 0 0 "[ . 1]" 1
772 1 108 ASP HA 1 109 LYS H 3.300 . 3.300 2.328 2.227 2.499 . 0 0 "[ . 1]" 1
773 1 108 ASP HA 1 110 THR H 5.500 . 5.500 3.881 3.802 4.072 . 0 0 "[ . 1]" 1
774 1 108 ASP QB 1 109 LYS H 4.200 . 4.200 2.845 2.531 3.551 . 0 0 "[ . 1]" 1
775 1 108 ASP QB 1 110 THR H 4.200 . 4.200 2.478 2.282 3.020 . 0 0 "[ . 1]" 1
776 1 108 ASP QB 1 110 THR MG 4.200 . 4.200 3.001 2.309 3.928 . 0 0 "[ . 1]" 1
777 1 108 ASP QB 1 111 THR H 5.500 . 5.500 2.866 2.558 3.120 . 0 0 "[ . 1]" 1
778 1 109 LYS H 1 109 LYS QB 3.300 . 3.300 2.430 2.176 2.809 . 0 0 "[ . 1]" 1
779 1 109 LYS H 1 109 LYS QD 4.200 . 4.200 3.464 1.749 4.511 0.311 6 0 "[ . 1]" 1
780 1 109 LYS H 1 109 LYS QG 4.200 . 4.200 2.563 1.802 4.053 . 0 0 "[ . 1]" 1
781 1 109 LYS H 1 110 THR H 4.200 . 4.200 2.540 2.433 2.586 . 0 0 "[ . 1]" 1
782 1 109 LYS H 1 111 THR HB 5.500 . 5.500 6.181 5.856 7.644 2.144 4 6 "[ * +* **-1]" 1
783 1 109 LYS HA 1 109 LYS QD 4.200 . 4.200 3.768 2.338 4.401 0.201 3 0 "[ . 1]" 1
784 1 109 LYS HA 1 112 VAL H 4.200 . 4.200 3.480 3.313 3.698 . 0 0 "[ . 1]" 1
785 1 109 LYS HA 1 112 VAL HB 4.200 . 4.200 3.335 2.948 5.232 1.032 3 1 "[ + . 1]" 1
786 1 109 LYS HA 1 112 VAL MG1 4.200 . 4.200 4.344 4.030 4.623 0.423 9 0 "[ . 1]" 1
787 1 109 LYS HA 1 112 VAL MG2 3.300 . 3.300 2.665 2.306 2.890 . 0 0 "[ . 1]" 1
788 1 109 LYS HA 1 113 ARG H 5.500 . 5.500 4.369 4.116 4.656 . 0 0 "[ . 1]" 1
789 1 109 LYS QB 1 109 LYS QD 3.300 . 3.300 2.226 2.125 2.352 . 0 0 "[ . 1]" 1
790 1 109 LYS QB 1 109 LYS QE 4.200 . 4.200 2.783 2.210 3.697 . 0 0 "[ . 1]" 1
791 1 109 LYS QB 1 110 THR H 4.200 . 4.200 3.335 2.978 3.741 . 0 0 "[ . 1]" 1
792 1 110 THR H 1 110 THR HB 4.200 . 4.200 3.582 3.569 3.594 . 0 0 "[ . 1]" 1
793 1 110 THR H 1 110 THR MG 3.300 . 3.300 2.176 1.884 2.378 . 0 0 "[ . 1]" 1
794 1 110 THR H 1 111 THR H 4.200 . 4.200 2.669 2.495 2.785 . 0 0 "[ . 1]" 1
795 1 110 THR H 1 112 VAL H 5.500 . 5.500 4.159 3.974 4.584 . 0 0 "[ . 1]" 1
796 1 110 THR H 1 112 VAL MG2 4.200 . 4.200 4.610 4.179 4.774 0.574 1 4 "[+ * *-]" 1
797 1 110 THR HA 1 110 THR MG 3.300 . 3.300 2.315 2.254 2.431 . 0 0 "[ . 1]" 1
798 1 110 THR HA 1 111 THR H 4.200 . 4.200 3.561 3.504 3.582 . 0 0 "[ . 1]" 1
799 1 110 THR HA 1 113 ARG H 4.200 . 4.200 3.322 3.197 3.452 . 0 0 "[ . 1]" 1
800 1 110 THR HA 1 113 ARG QB 4.200 . 4.200 2.515 2.300 2.852 . 0 0 "[ . 1]" 1
801 1 110 THR HA 1 113 ARG QG 4.200 . 4.200 3.791 2.660 4.412 0.212 10 0 "[ . 1]" 1
802 1 110 THR HB 1 111 THR H 4.200 . 4.200 3.506 3.290 3.759 . 0 0 "[ . 1]" 1
803 1 110 THR HB 1 113 ARG QB 4.200 . 4.200 4.176 3.987 4.344 0.144 5 0 "[ . 1]" 1
804 1 110 THR MG 1 111 THR H 4.200 . 4.200 3.796 3.502 4.003 . 0 0 "[ . 1]" 1
805 1 111 THR H 1 111 THR HB 4.200 . 4.200 2.776 2.610 3.573 . 0 0 "[ . 1]" 1
806 1 111 THR H 1 111 THR MG 4.200 . 4.200 3.588 2.340 3.750 . 0 0 "[ . 1]" 1
807 1 111 THR H 1 113 ARG H 5.500 . 5.500 4.153 4.002 4.276 . 0 0 "[ . 1]" 1
808 1 111 THR HA 1 111 THR MG 3.300 . 3.300 2.287 2.243 2.318 . 0 0 "[ . 1]" 1
809 1 111 THR HA 1 112 VAL H 5.500 . 5.500 3.552 3.525 3.575 . 0 0 "[ . 1]" 1
810 1 111 THR HA 1 114 LYS H 4.200 . 4.200 3.560 3.420 3.665 . 0 0 "[ . 1]" 1
811 1 111 THR HA 1 114 LYS QB 4.200 . 4.200 3.016 2.614 3.397 . 0 0 "[ . 1]" 1
812 1 111 THR HB 1 112 VAL H 4.200 . 4.200 2.586 2.181 3.541 . 0 0 "[ . 1]" 1
813 1 111 THR HB 1 114 LYS H 5.500 . 5.500 5.507 5.382 5.602 0.102 8 0 "[ . 1]" 1
814 1 111 THR MG 1 112 VAL HA 4.200 . 4.200 3.863 3.457 5.409 1.209 4 1 "[ +. 1]" 1
815 1 111 THR MG 1 115 LEU H 4.200 . 4.200 4.273 3.833 5.587 1.387 4 1 "[ +. 1]" 1
816 1 111 THR MG 1 115 LEU QD 4.200 . 4.200 2.634 2.120 4.199 . 0 0 "[ . 1]" 1
817 1 111 THR MG 1 115 LEU HG 4.200 . 4.200 3.446 2.911 6.167 1.967 4 1 "[ +. 1]" 1
818 1 112 VAL H 1 112 VAL HB 3.300 . 3.300 2.700 2.540 3.548 0.248 3 0 "[ . 1]" 1
819 1 112 VAL H 1 112 VAL MG1 4.200 . 4.200 3.605 2.345 3.761 . 0 0 "[ . 1]" 1
820 1 112 VAL H 1 112 VAL MG2 3.300 . 3.300 1.928 1.758 2.023 0.042 3 0 "[ . 1]" 1
821 1 112 VAL H 1 113 ARG H 4.200 . 4.200 2.631 2.530 2.714 . 0 0 "[ . 1]" 1
822 1 112 VAL HA 1 112 VAL MG2 3.300 . 3.300 2.459 2.340 3.188 . 0 0 "[ . 1]" 1
823 1 112 VAL HA 1 113 ARG H 5.500 . 5.500 3.529 3.502 3.548 . 0 0 "[ . 1]" 1
824 1 112 VAL HA 1 115 LEU H 4.200 . 4.200 3.526 3.350 3.691 . 0 0 "[ . 1]" 1
825 1 112 VAL HA 1 115 LEU QB 4.200 . 4.200 2.778 2.422 3.242 . 0 0 "[ . 1]" 1
826 1 112 VAL HA 1 115 LEU QD 4.200 . 4.200 2.475 2.163 3.716 . 0 0 "[ . 1]" 1
827 1 112 VAL HA 1 115 LEU HG 4.200 . 4.200 3.640 2.512 4.102 . 0 0 "[ . 1]" 1
828 1 112 VAL HA 1 116 GLN H 5.500 . 5.500 4.028 3.621 4.389 . 0 0 "[ . 1]" 1
829 1 112 VAL HB 1 113 ARG H 4.200 . 4.200 2.724 2.574 3.539 . 0 0 "[ . 1]" 1
830 1 112 VAL MG1 1 112 VAL MG2 2.800 . 2.800 2.077 2.063 2.087 . 0 0 "[ . 1]" 1
831 1 112 VAL MG1 1 113 ARG H 4.200 . 4.200 3.671 3.532 4.016 . 0 0 "[ . 1]" 1
832 1 112 VAL MG1 1 113 ARG HA 5.500 . 5.500 3.864 3.562 5.391 . 0 0 "[ . 1]" 1
833 1 112 VAL MG1 1 116 GLN QG 4.200 . 4.200 3.545 2.754 4.271 0.071 4 0 "[ . 1]" 1
834 1 112 VAL MG2 1 113 ARG H . . 4.200 3.534 1.913 3.788 . 0 0 "[ . 1]" 1
835 1 113 ARG H 1 113 ARG QB 3.300 . 3.300 2.250 2.052 2.450 . 0 0 "[ . 1]" 1
836 1 113 ARG H 1 113 ARG QD 5.500 . 5.500 4.378 3.758 4.948 . 0 0 "[ . 1]" 1
837 1 113 ARG H 1 113 ARG QG 4.200 . 4.200 3.324 2.125 3.955 . 0 0 "[ . 1]" 1
838 1 113 ARG H 1 114 LYS H 4.200 . 4.200 2.676 2.595 2.797 . 0 0 "[ . 1]" 1
839 1 113 ARG HA 1 113 ARG QD 4.200 . 4.200 3.318 2.284 4.150 . 0 0 "[ . 1]" 1
840 1 113 ARG HA 1 114 LYS H 5.500 . 5.500 3.536 3.525 3.548 . 0 0 "[ . 1]" 1
841 1 113 ARG HA 1 116 GLN H 4.200 . 4.200 3.969 3.802 4.193 . 0 0 "[ . 1]" 1
842 1 113 ARG HA 1 116 GLN QB 4.200 . 4.200 3.152 2.827 4.168 . 0 0 "[ . 1]" 1
843 1 113 ARG HA 1 116 GLN QG 4.200 . 4.200 4.113 2.471 5.224 1.024 9 2 "[- . +1]" 1
844 1 113 ARG HA 1 117 SER H 5.500 . 5.500 4.310 4.241 4.406 . 0 0 "[ . 1]" 1
845 1 114 LYS H 1 114 LYS QB . . 3.300 2.333 2.154 2.591 . 0 0 "[ . 1]" 1
846 1 114 LYS H 1 114 LYS QD 5.500 . 5.500 3.771 2.182 4.544 . 0 0 "[ . 1]" 1
847 1 114 LYS H 1 114 LYS QG 4.200 . 4.200 2.849 1.936 4.044 . 0 0 "[ . 1]" 1
848 1 114 LYS H 1 115 LEU H 4.200 . 4.200 2.705 2.619 2.831 . 0 0 "[ . 1]" 1
849 1 114 LYS H 1 115 LEU QD 5.500 . 5.500 4.578 3.979 4.791 . 0 0 "[ . 1]" 1
850 1 114 LYS H 1 116 GLN H 5.500 . 5.500 4.531 4.383 4.750 . 0 0 "[ . 1]" 1
851 1 114 LYS QB 1 115 LEU H 4.200 . 4.200 2.381 2.267 2.464 . 0 0 "[ . 1]" 1
852 1 114 LYS QB 1 115 LEU QD 4.200 . 4.200 3.536 2.584 3.924 . 0 0 "[ . 1]" 1
853 1 115 LEU H 1 115 LEU QD . . 4.200 2.876 1.860 3.158 . 0 0 "[ . 1]" 1
854 1 115 LEU H 1 115 LEU HG . . 3.300 2.351 1.805 3.752 0.452 4 0 "[ . 1]" 1
855 1 115 LEU H 1 116 GLN H 4.200 . 4.200 3.006 2.902 3.093 . 0 0 "[ . 1]" 1
856 1 115 LEU H 1 117 SER H 5.500 . 5.500 4.146 4.009 4.289 . 0 0 "[ . 1]" 1
857 1 115 LEU HA 1 115 LEU QD 3.300 . 3.300 2.131 1.944 2.255 . 0 0 "[ . 1]" 1
858 1 115 LEU HA 1 116 GLN H 5.500 . 5.500 3.553 3.534 3.566 . 0 0 "[ . 1]" 1
859 1 115 LEU HA 1 116 GLN QG 4.200 . 4.200 5.551 4.825 6.543 2.343 4 10 [*-*+******] 1
860 1 115 LEU HA 1 118 TYR H 4.200 . 4.200 3.900 3.677 4.220 0.020 10 0 "[ . 1]" 1
861 1 115 LEU HA 1 118 TYR QD . . 4.200 2.456 2.184 2.822 . 0 0 "[ . 1]" 1
862 1 115 LEU HA 1 118 TYR QE 5.500 . 5.500 3.294 2.272 3.657 . 0 0 "[ . 1]" 1
863 1 115 LEU QB 1 116 GLN H 4.200 . 4.200 2.161 1.982 2.375 . 0 0 "[ . 1]" 1
864 1 115 LEU QD 1 116 GLN H 4.200 . 4.200 3.803 3.714 3.914 . 0 0 "[ . 1]" 1
865 1 115 LEU QD 1 118 TYR QD 4.200 . 4.200 3.060 2.818 3.452 . 0 0 "[ . 1]" 1
866 1 115 LEU HG 1 116 GLN H 4.200 . 4.200 4.305 3.908 4.793 0.593 4 1 "[ +. 1]" 1
867 1 116 GLN H 1 116 GLN QG 4.200 . 4.200 2.611 1.785 3.767 0.015 10 0 "[ . 1]" 1
868 1 116 GLN H 1 117 SER H 4.200 . 4.200 2.891 2.865 2.945 . 0 0 "[ . 1]" 1
869 1 116 GLN H 1 117 SER QB 5.500 . 5.500 4.722 4.570 5.162 . 0 0 "[ . 1]" 1
870 1 116 GLN HA 1 117 SER H 4.200 . 4.200 3.546 3.534 3.561 . 0 0 "[ . 1]" 1
871 1 116 GLN HA 1 119 LEU H 5.500 . 5.500 3.558 3.276 3.717 . 0 0 "[ . 1]" 1
872 1 116 GLN HA 1 119 LEU QD 4.200 . 4.200 2.633 2.073 3.829 . 0 0 "[ . 1]" 1
873 1 116 GLN HA 1 119 LEU HG 5.500 . 5.500 3.930 2.795 4.446 . 0 0 "[ . 1]" 1
874 1 116 GLN QB 1 117 SER H 4.200 . 4.200 2.639 2.376 3.389 . 0 0 "[ . 1]" 1
875 1 116 GLN QB 1 117 SER QB 5.500 . 5.500 4.210 3.931 4.810 . 0 0 "[ . 1]" 1
876 1 116 GLN QG 1 117 SER H 4.200 . 4.200 3.956 1.996 4.413 0.213 4 0 "[ . 1]" 1
877 1 117 SER H 1 117 SER QB 3.300 . 3.300 2.290 2.131 2.772 . 0 0 "[ . 1]" 1
878 1 117 SER H 1 118 TYR QB 5.500 . 5.500 5.146 4.857 5.304 . 0 0 "[ . 1]" 1
879 1 117 SER HA 1 118 TYR H 4.200 . 4.200 3.566 3.552 3.582 . 0 0 "[ . 1]" 1
880 1 117 SER HA 1 119 LEU H 4.200 . 4.200 4.352 4.227 4.517 0.317 5 0 "[ . 1]" 1
881 1 117 SER QB 1 118 TYR H 4.200 . 4.200 2.133 1.777 3.048 0.023 10 0 "[ . 1]" 1
882 1 117 SER QB 1 120 GLU H 4.200 . 4.200 5.051 4.638 5.527 1.327 10 9 "[***-** **+]" 1
883 1 118 TYR H 1 118 TYR QD . . 4.200 2.829 2.442 3.285 . 0 0 "[ . 1]" 1
884 1 118 TYR H 1 119 LEU H 4.200 . 4.200 2.773 2.676 2.859 . 0 0 "[ . 1]" 1
885 1 118 TYR H 1 119 LEU QD 4.200 . 4.200 4.949 4.584 5.543 1.343 10 8 "[- **.****+]" 1
886 1 118 TYR H 1 119 LEU HG 4.200 . 4.200 5.494 4.147 7.001 2.801 9 8 "[* *-.***+*]" 1
887 1 118 TYR H 1 120 GLU H 5.500 . 5.500 4.456 4.082 5.158 . 0 0 "[ . 1]" 1
888 1 118 TYR HA 1 118 TYR QD 4.200 . 4.200 2.629 2.212 3.487 . 0 0 "[ . 1]" 1
889 1 118 TYR HA 1 119 LEU H 5.500 . 5.500 3.519 3.496 3.532 . 0 0 "[ . 1]" 1
890 1 118 TYR HA 1 120 GLU H 5.500 . 5.500 4.279 3.258 5.321 . 0 0 "[ . 1]" 1
891 1 118 TYR QB 1 119 LEU H . . 4.200 2.911 2.639 3.474 . 0 0 "[ . 1]" 1
892 1 118 TYR QB 1 119 LEU QD 4.200 . 4.200 4.121 3.330 5.222 1.022 10 3 "[ * . - +]" 1
893 1 118 TYR QB 1 120 GLU H 5.500 . 5.500 4.905 4.173 5.890 0.390 10 0 "[ . 1]" 1
894 1 118 TYR QD 1 119 LEU H 5.500 . 5.500 3.811 3.116 4.218 . 0 0 "[ . 1]" 1
895 1 119 LEU H 1 119 LEU QD 4.200 . 4.200 3.184 2.911 3.660 . 0 0 "[ . 1]" 1
896 1 119 LEU H 1 119 LEU HG 4.200 . 4.200 3.083 2.077 4.394 0.194 9 0 "[ . 1]" 1
897 1 119 LEU H 1 120 GLU H 3.300 . 3.300 2.777 2.635 2.999 . 0 0 "[ . 1]" 1
898 1 119 LEU H 1 121 THR H 5.500 . 5.500 5.332 4.484 5.576 0.076 5 0 "[ . 1]" 1
899 1 119 LEU HA 1 119 LEU QD . . 3.300 2.130 1.922 2.264 . 0 0 "[ . 1]" 1
900 1 119 LEU HA 1 119 LEU HG 3.300 . 3.300 2.757 2.384 3.555 0.255 9 0 "[ . 1]" 1
901 1 119 LEU HA 1 120 GLU H . . 3.300 3.484 3.291 3.573 0.273 5 0 "[ . 1]" 1
902 1 119 LEU QB 1 120 GLU H . . 4.200 2.666 2.001 3.363 . 0 0 "[ . 1]" 1
903 1 119 LEU QB 1 121 THR H 5.500 . 5.500 5.149 4.760 5.540 0.040 4 0 "[ . 1]" 1
904 1 119 LEU QD 1 120 GLU H 4.200 . 4.200 3.981 3.313 4.477 0.277 1 0 "[ . 1]" 1
905 1 119 LEU HG 1 120 GLU H 4.200 . 4.200 4.691 4.369 5.206 1.006 6 4 "[- * .+* 1]" 1
906 1 120 GLU H 1 120 GLU QG 4.200 . 4.200 3.341 2.361 4.134 . 0 0 "[ . 1]" 1
907 1 120 GLU H 1 121 THR H 4.200 . 4.200 3.351 2.249 3.928 . 0 0 "[ . 1]" 1
908 1 120 GLU H 1 121 THR MG 5.500 . 5.500 4.513 3.614 5.578 0.078 8 0 "[ . 1]" 1
909 1 120 GLU HA 1 121 THR H . . 3.300 2.644 2.206 3.480 0.180 3 0 "[ . 1]" 1
910 1 120 GLU HA 1 122 SER H 5.500 . 5.500 4.768 3.037 5.565 0.065 7 0 "[ . 1]" 1
911 1 120 GLU QB 1 122 SER H 5.500 . 5.500 4.715 3.415 5.490 . 0 0 "[ . 1]" 1
912 1 120 GLU QG 1 121 THR H 5.500 . 5.500 4.020 3.327 4.621 . 0 0 "[ . 1]" 1
913 1 121 THR H 1 121 THR MG 4.200 . 4.200 3.099 1.842 3.977 . 0 0 "[ . 1]" 1
914 1 121 THR H 1 122 SER H 4.200 . 4.200 3.331 2.447 4.289 0.089 6 0 "[ . 1]" 1
915 1 121 THR H 1 122 SER HA 5.500 . 5.500 4.825 4.041 5.561 0.061 3 0 "[ . 1]" 1
916 1 121 THR MG 1 122 SER H 5.500 . 5.500 3.776 2.489 4.310 . 0 0 "[ . 1]" 1
917 1 122 SER H 1 123 GLY H 5.500 . 5.500 3.811 2.424 4.653 . 0 0 "[ . 1]" 1
918 1 122 SER HA 1 123 GLY H 5.500 . 5.500 2.802 2.144 3.577 . 0 0 "[ . 1]" 1
919 1 122 SER QB 1 123 GLY H 4.200 . 4.200 2.764 1.852 3.819 . 0 0 "[ . 1]" 1
920 1 123 GLY H 1 124 THR H 5.500 . 5.500 3.328 1.796 4.644 0.004 7 0 "[ . 1]" 1
921 1 124 THR H 1 124 THR HB 4.200 . 4.200 3.237 2.484 3.931 . 0 0 "[ . 1]" 1
922 1 124 THR HA 1 125 SER H 4.200 . 4.200 2.881 2.152 3.532 . 0 0 "[ . 1]" 1
stop_
save_