NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
587250 |
2my7   |
19685 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2my7
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 952
_Distance_constraint_stats_list.Viol_count 14712
_Distance_constraint_stats_list.Viol_total 289269.938
_Distance_constraint_stats_list.Viol_max 3.168
_Distance_constraint_stats_list.Viol_rms 0.8558
_Distance_constraint_stats_list.Viol_average_all_restraints 0.7596
_Distance_constraint_stats_list.Viol_average_violations_only 0.9831
_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 2 SER 88.494 2.834 9 20 [**-*****+***********]
1 3 HIS 124.177 2.834 9 20 [********+-**********]
1 4 MET 36.203 2.374 19 20 [*********-********+*]
1 5 GLN 97.232 2.848 4 20 [***+***************-]
1 6 LYS 247.913 2.848 4 20 [***+***************-]
1 7 GLU 201.768 2.836 18 20 [***********-*****+**]
1 8 GLY 201.172 2.663 17 20 [****************+***]
1 9 PRO 303.513 2.890 15 20 [**************+*-***]
1 10 GLU 226.420 2.890 15 20 [**************+*****]
1 11 GLY 154.579 2.488 15 20 [***********-**+*****]
1 12 ALA 395.780 2.938 5 20 [****+*-*************]
1 13 ASN 277.464 2.788 2 20 [*+*-****************]
1 14 LEU 869.283 3.126 7 20 [******+*********-***]
1 15 PHE 278.489 3.040 13 20 [**-*********+*******]
1 16 ILE 612.879 2.993 13 20 [****-*******+*******]
1 17 TYR 415.735 2.993 13 20 [************+**-****]
1 18 HIS 352.388 2.898 17 20 [****************+-**]
1 19 LEU 398.431 3.147 13 20 [************+*******]
1 20 PRO 394.768 3.147 13 20 [*********-**+*******]
1 21 GLN 172.327 2.679 19 20 [*********-********+*]
1 22 GLU 216.784 2.628 6 20 [*****+******-*******]
1 23 PHE 334.172 2.902 8 20 [*******+******-*****]
1 24 GLY 269.430 2.974 19 20 [*-****************+*]
1 25 ASP 228.267 2.823 19 20 [****************-*+*]
1 26 GLN 238.903 2.709 11 20 [***-******+*********]
1 27 ASP 245.202 2.974 19 20 [*********-********+*]
1 28 ILE 632.351 2.804 8 20 [*-*****+************]
1 29 LEU 492.566 3.051 11 20 [-*********+*********]
1 30 GLN 280.438 2.735 19 20 [***-**************+*]
1 31 MET 256.610 2.944 8 20 [***-***+************]
1 32 PHE 651.293 3.010 3 20 [**+********-********]
1 33 MET 417.529 3.073 3 20 [**+**************-**]
1 34 PRO 84.463 3.073 3 20 [**+**************-**]
1 35 PHE 337.015 2.779 11 20 [**********+*-*******]
1 36 GLY 296.629 2.779 11 20 [**********+******-**]
1 37 ASN 325.386 2.951 17 20 [************-***+***]
1 38 VAL 589.258 3.051 11 20 [*********-+*********]
1 39 ILE 425.334 2.951 17 20 [****-***********+***]
1 40 SER 349.346 2.819 3 20 [-*+*****************]
1 41 ALA 527.841 2.955 4 20 [***+*************-**]
1 42 LYS 348.202 2.955 4 20 [***+*****-**********]
1 43 VAL 437.396 2.823 19 20 [***************-**+*]
1 44 PHE 199.378 2.926 20 20 [***************-***+]
1 45 ILE 238.673 2.926 20 20 [******************-+]
1 46 ASP 301.918 2.848 20 20 [******************-+]
1 47 LYS 182.007 2.842 12 20 [**-********+********]
1 48 GLN 242.720 2.702 10 20 [**-******+**********]
1 49 THR 264.664 3.168 1 20 [+*********-*********]
1 50 ASN 265.586 3.168 1 20 [+*-*****************]
1 51 LEU 414.102 2.848 20 20 [****************-**+]
1 52 SER 186.769 2.839 5 20 [****+***********-***]
1 53 LYS 125.144 2.879 3 20 [**+**********-******]
1 54 CYS 47.902 2.879 3 19 "[**+******* ******-**]"
1 55 PHE 166.057 2.886 19 20 [*******-**********+*]
1 56 GLY 225.429 2.886 19 20 [***************-**+*]
1 57 PHE 307.016 2.541 18 20 [******-**********+**]
1 58 VAL 849.589 3.141 3 20 [*-+*****************]
1 59 SER 278.970 3.141 3 20 [**+*****-***********]
1 60 TYR 785.353 2.864 6 20 [*****+**********-***]
1 61 ASP 268.451 2.606 14 20 [*************+-*****]
1 62 ASN 278.314 3.042 7 20 [*-****+*************]
1 63 PRO 240.636 3.042 7 20 [******+*************]
1 64 VAL 257.979 2.666 3 20 [**+*****************]
1 65 SER 263.738 2.666 3 20 [**+******-**********]
1 66 ALA 526.594 3.114 20 20 [*****-*************+]
1 67 GLN 287.689 3.114 20 20 [*******-***********+]
1 68 ALA 180.047 2.447 11 20 [*******-**+*********]
1 69 ALA 470.195 3.010 3 20 [**+**********-******]
1 70 ILE 658.262 2.980 12 20 [**********-+********]
1 71 GLN 228.539 2.172 5 20 [****+**************-]
1 72 ALA 292.786 2.172 5 20 [****+*******-*******]
1 73 MET 327.210 2.856 15 20 [**********-***+*****]
1 74 ASN 273.765 2.856 15 20 [-*************+*****]
1 75 GLY 146.590 2.533 9 20 [********+**********-]
1 76 PHE 321.104 3.003 10 20 [***-*****+**********]
1 77 GLN 172.407 2.838 11 20 [*-********+*********]
1 78 ILE 516.972 3.003 10 20 [*******-*+**********]
1 79 GLY 100.467 2.473 13 20 [************+-******]
1 80 MET 109.446 2.690 6 20 [*****+**************]
1 81 LYS 321.998 2.898 17 20 [***********-****+***]
1 82 ARG 255.053 3.002 7 20 [******+****-********]
1 83 LEU 296.296 3.050 4 20 [***+******-*********]
1 84 LYS 254.545 2.752 17 20 [***********-****+***]
1 85 VAL 780.561 2.939 12 20 [***********+*****-**]
1 86 GLN 295.850 2.779 18 20 [*****-***********+**]
1 87 LEU 361.764 2.682 9 20 [***-****+***********]
1 88 LYS 220.213 2.562 9 20 [********+*-*********]
1 89 ARG 70.253 2.316 4 20 [-**+****************]
1 90 SER 92.101 2.854 7 20 [******+*****-*******]
1 91 LYS 85.859 2.854 7 20 [*****-+*************]
1 92 ASN 37.889 2.778 15 20 [*************-+*****]
1 93 ASP 30.178 2.778 15 20 [*************-+*****]
1 95 LYS 2.543 0.370 8 0 "[ . 1 . 2]"
1 96 PRO 77.328 2.825 8 20 [*******+*****-******]
1 97 TYR 60.927 2.825 8 20 [*******+*-**********]
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 SER HA 1 3 HIS H 5.500 4.950 6.050 2.189 2.116 2.335 2.834 9 20 [****-***+***********] 1
2 1 2 SER QB 1 3 HIS H 5.500 4.950 6.050 3.286 2.830 3.810 2.120 6 20 [**-**+**************] 1
3 1 3 HIS QB 1 4 MET H 5.500 4.950 6.050 3.166 2.576 3.918 2.374 19 20 [*********-********+*] 1
4 1 4 MET QG 1 6 LYS H 5.500 4.950 6.050 5.120 4.804 5.524 0.146 3 0 "[ . 1 . 2]" 1
5 1 5 GLN HA 1 6 LYS H 5.500 4.950 6.050 2.206 2.102 2.303 2.848 4 20 [***+*****-**********] 1
6 1 5 GLN QB 1 6 LYS H 5.500 4.950 6.050 3.300 3.060 3.846 1.890 5 20 [****+*-*************] 1
7 1 5 GLN QG 1 6 LYS H 5.500 4.950 6.050 4.482 3.761 4.866 1.189 7 7 "[ . + 1* *** *-]" 1
8 1 6 LYS H 1 6 LYS QD 5.500 4.950 6.050 4.615 3.711 5.042 1.239 4 2 "[ +. 1 . - 2]" 1
9 1 6 LYS H 1 7 GLU QB 5.500 4.950 6.050 5.664 5.291 5.833 . 0 0 "[ . 1 . 2]" 1
10 1 6 LYS H 1 7 GLU QG 5.500 4.950 6.050 5.754 5.542 5.890 . 0 0 "[ . 1 . 2]" 1
11 1 6 LYS HA 1 7 GLU H 5.500 4.950 6.050 2.255 2.114 2.387 2.836 18 20 [********-********+**] 1
12 1 6 LYS HA 1 39 ILE MG 5.500 4.950 6.050 6.434 6.165 7.312 1.262 17 2 "[ . - . + 2]" 1
13 1 6 LYS QB 1 7 GLU H 5.500 4.950 6.050 3.806 3.463 4.182 1.487 18 20 [********-********+**] 1
14 1 6 LYS QD 1 7 GLU H 5.500 4.950 6.050 4.769 3.131 6.209 1.819 13 7 "[ .* ** +*. * -]" 1
15 1 6 LYS QD 1 39 ILE MG 5.500 4.950 6.050 3.853 2.434 5.823 2.516 2 12 "[*+*-* ***1 ** .* * 2]" 1
16 1 6 LYS QE 1 39 ILE MG 5.500 4.950 6.050 4.020 2.827 5.257 2.123 18 10 "[ - *.* 1* *** +**]" 1
17 1 6 LYS QG 1 7 GLU H 5.500 4.950 6.050 4.642 3.494 4.840 1.456 12 1 "[ . 1 + . 2]" 1
18 1 7 GLU H 1 8 GLY H 5.500 4.950 6.050 4.737 4.652 4.834 0.298 14 0 "[ . 1 . 2]" 1
19 1 7 GLU HA 1 8 GLY H 5.500 4.950 6.050 2.419 2.287 2.592 2.663 17 20 [********-*******+***] 1
20 1 7 GLU QB 1 8 GLY H 5.500 4.950 6.050 3.086 2.711 3.444 2.239 4 20 [***+***************-] 1
21 1 7 GLU QB 1 91 LYS QE 5.500 4.950 6.050 4.814 4.230 5.368 0.720 9 2 "[ .- +1 . 2]" 1
22 1 7 GLU QG 1 8 GLY H 5.500 4.950 6.050 4.356 3.903 4.461 1.047 15 19 "[***********-* +*****]" 1
23 1 8 GLY H 1 9 PRO QD 5.500 4.950 6.050 4.396 4.194 4.519 0.756 2 18 "[*+ **** ********-***]" 1
24 1 8 GLY H 1 12 ALA MB 5.500 4.950 6.050 6.099 4.886 6.705 0.655 13 1 "[ . 1 + . 2]" 1
25 1 8 GLY H 1 13 ASN QD 5.500 4.950 6.050 4.516 3.483 5.651 1.467 20 7 "[** . 1** -. *+]" 1
26 1 8 GLY H 1 39 ILE MD 5.500 4.950 6.050 6.430 6.194 7.254 1.204 9 5 "[ . *+-* * 2]" 1
27 1 8 GLY H 1 59 SER QB 5.500 4.950 6.050 3.720 3.125 4.429 1.825 17 20 [********-*******+***] 1
28 1 8 GLY QA 1 9 PRO QG 5.500 4.950 6.050 3.889 3.803 3.973 1.147 2 20 [*+****************-*] 1
29 1 8 GLY QA 1 12 ALA MB 5.500 4.950 6.050 4.364 3.710 4.804 1.240 3 14 "[**+***** - * *.* * *]" 1
30 1 8 GLY QA 1 39 ILE MD 5.500 4.950 6.050 4.668 4.522 5.047 0.428 19 0 "[ . 1 . 2]" 1
31 1 9 PRO HA 1 10 GLU H 5.500 4.950 6.050 2.445 2.306 2.508 2.644 19 20 [******-***********+*] 1
32 1 9 PRO HA 1 13 ASN QD 5.500 4.950 6.050 5.094 4.539 5.782 0.411 1 0 "[ . 1 . 2]" 1
33 1 9 PRO QB 1 10 GLU H 5.500 4.950 6.050 2.283 2.060 2.553 2.890 15 20 [**************+****-] 1
34 1 9 PRO QD 1 10 GLU H 5.500 4.950 6.050 4.741 4.645 4.899 0.305 4 0 "[ . 1 . 2]" 1
35 1 9 PRO QD 1 10 GLU QB 5.500 4.950 6.050 5.311 5.137 5.554 . 0 0 "[ . 1 . 2]" 1
36 1 9 PRO QD 1 12 ALA H 5.500 4.950 6.050 4.168 3.509 5.005 1.441 4 14 "[** +*** -* ***.* * *]" 1
37 1 9 PRO QD 1 12 ALA MB 5.500 4.950 6.050 3.893 3.164 4.628 1.786 2 15 "[*+ **** **-***.* * *]" 1
38 1 9 PRO QD 1 39 ILE MD 5.500 4.950 6.050 3.776 3.461 4.498 1.489 18 19 "[*******-*********+ *]" 1
39 1 9 PRO QD 1 60 TYR H 5.500 4.950 6.050 3.263 2.273 4.477 2.677 9 19 "[**-*****+********* *]" 1
40 1 9 PRO QG 1 10 GLU H 5.500 4.950 6.050 3.826 3.489 4.265 1.461 16 20 [***************+***-] 1
41 1 9 PRO QG 1 11 GLY H 5.500 4.950 6.050 5.576 4.913 5.965 0.037 1 0 "[ . 1 . 2]" 1
42 1 9 PRO QG 1 12 ALA MB 5.500 4.950 6.050 4.428 3.663 5.050 1.287 14 7 "[** . * -+.* * 2]" 1
43 1 9 PRO QG 1 62 ASN H 5.500 4.950 6.050 5.608 4.716 5.988 0.234 11 0 "[ . 1 . 2]" 1
44 1 9 PRO QG 1 62 ASN HA 5.500 4.950 6.050 4.132 3.529 4.499 1.421 11 19 "[*- *******+*********]" 1
45 1 9 PRO QG 1 62 ASN QB 5.500 4.950 6.050 5.259 4.722 6.135 0.228 11 0 "[ . 1 . 2]" 1
46 1 9 PRO QG 1 63 PRO QD 5.500 4.950 6.050 4.095 3.163 4.716 1.787 3 18 "[**+ ***-******.*****]" 1
47 1 10 GLU HA 1 11 GLY H 5.500 4.950 6.050 2.560 2.462 2.666 2.488 15 20 [*********-****+*****] 1
48 1 10 GLU HA 1 11 GLY HA3 5.500 4.950 6.050 4.494 4.386 4.576 0.564 4 2 "[ +. 1 - 2]" 1
49 1 10 GLU HA 1 12 ALA H 5.500 4.950 6.050 4.683 4.497 4.855 0.453 14 0 "[ . 1 . 2]" 1
50 1 10 GLU QB 1 11 GLY H 5.500 4.950 6.050 4.045 3.916 4.182 1.034 19 20 [*-****************+*] 1
51 1 10 GLU QB 1 11 GLY HA2 5.500 4.950 6.050 4.940 4.667 5.279 0.283 19 0 "[ . 1 . 2]" 1
52 1 10 GLU QG 1 11 GLY H 5.500 4.950 6.050 4.299 4.181 4.455 0.769 16 19 "[-** ***********+****]" 1
53 1 10 GLU QG 1 11 GLY HA2 5.500 4.950 6.050 5.440 5.087 5.695 . 0 0 "[ . 1 . 2]" 1
54 1 10 GLU QG 1 11 GLY HA3 5.500 4.950 6.050 5.257 4.758 5.592 0.192 2 0 "[ . 1 . 2]" 1
55 1 10 GLU QG 1 12 ALA H 5.500 4.950 6.050 5.988 5.712 6.191 0.141 19 0 "[ . 1 . 2]" 1
56 1 11 GLY H 1 12 ALA H 5.500 4.950 6.050 2.977 2.832 3.275 2.118 1 20 [+**************-****] 1
57 1 11 GLY H 1 12 ALA MB 5.500 4.950 6.050 4.963 4.818 5.242 0.132 19 0 "[ . 1 . 2]" 1
58 1 11 GLY H 1 13 ASN QD 5.500 4.950 6.050 4.389 3.676 4.748 1.274 10 8 "[ **** -+ .* * 2]" 1
59 1 11 GLY HA2 1 12 ALA MB 5.500 4.950 6.050 4.813 4.751 4.894 0.199 17 0 "[ . 1 . 2]" 1
60 1 11 GLY HA2 1 87 LEU HG 5.500 4.950 6.050 5.535 5.084 6.289 0.239 19 0 "[ . 1 . 2]" 1
61 1 11 GLY HA3 1 13 ASN H 5.500 4.950 6.050 6.167 6.067 6.264 0.214 6 0 "[ . 1 . 2]" 1
62 1 11 GLY HA3 1 87 LEU QD 5.500 4.950 6.050 5.315 5.044 5.988 . 0 0 "[ . 1 . 2]" 1
63 1 11 GLY HA3 1 87 LEU HG 5.500 4.950 6.050 6.432 6.275 6.952 0.902 19 2 "[ . 1 - . +2]" 1
64 1 12 ALA H 1 13 ASN H 5.500 4.950 6.050 4.273 4.161 4.386 0.789 12 20 [***********+*****-**] 1
65 1 12 ALA H 1 13 ASN QB 5.500 4.950 6.050 5.188 4.566 5.544 0.384 11 0 "[ . 1 . 2]" 1
66 1 12 ALA H 1 13 ASN QD 5.500 4.950 6.050 5.029 4.615 5.430 0.335 4 0 "[ . 1 . 2]" 1
67 1 12 ALA H 1 60 TYR QB 5.500 4.950 6.050 5.756 5.324 6.332 0.282 17 0 "[ . 1 . 2]" 1
68 1 12 ALA H 1 63 PRO HB2 5.500 4.950 6.050 6.219 5.112 6.550 0.500 7 1 "[ . + 1 . 2]" 1
69 1 12 ALA H 1 63 PRO QD 5.500 4.950 6.050 3.081 2.564 5.065 2.386 9 19 "[** *****+**********-]" 1
70 1 12 ALA H 1 66 ALA MB 5.500 4.950 6.050 5.256 4.783 6.202 0.167 1 0 "[ . 1 . 2]" 1
71 1 12 ALA HA 1 66 ALA MB 5.500 4.950 6.050 3.802 2.568 5.272 2.382 10 13 "[***-** + ***.* * *]" 1
72 1 12 ALA MB 1 13 ASN H 5.500 4.950 6.050 2.991 2.608 3.224 2.342 1 20 [+*****************-*] 1
73 1 12 ALA MB 1 13 ASN QD 5.500 4.950 6.050 5.419 5.053 5.654 . 0 0 "[ . 1 . 2]" 1
74 1 12 ALA MB 1 58 VAL H 5.500 4.950 6.050 6.837 6.307 7.509 1.459 10 13 "[** *** -+****.* * 2]" 1
75 1 12 ALA MB 1 60 TYR H 5.500 4.950 6.050 3.609 2.997 4.698 1.953 2 19 "[*+******-* *********]" 1
76 1 12 ALA MB 1 60 TYR QB 5.500 4.950 6.050 2.853 2.255 3.766 2.695 2 20 [*+********-*********] 1
77 1 12 ALA MB 1 60 TYR QD 5.500 4.950 6.050 3.877 3.094 5.030 1.856 5 16 "[**-*+*** * ***.* ***]" 1
78 1 12 ALA MB 1 61 ASP H 5.500 4.950 6.050 5.777 5.232 6.737 0.687 11 1 "[ . 1+ . 2]" 1
79 1 12 ALA MB 1 62 ASN H 5.500 4.950 6.050 4.755 4.099 5.151 0.851 10 3 "[- . + . * 2]" 1
80 1 12 ALA MB 1 64 VAL H 5.500 4.950 6.050 5.459 4.923 5.962 0.027 10 0 "[ . 1 . 2]" 1
81 1 12 ALA MB 1 66 ALA MB 5.500 4.950 6.050 2.557 2.012 3.254 2.938 5 20 [****+*-*************] 1
82 1 13 ASN H 1 13 ASN QD 5.500 4.950 6.050 4.451 4.095 4.812 0.855 9 9 "[ .-**+1 *** **]" 1
83 1 13 ASN H 1 14 LEU H 5.500 4.950 6.050 4.327 3.900 4.573 1.050 4 11 "[***+.-* 1 *** * *]" 1
84 1 13 ASN H 1 14 LEU QB 5.500 4.950 6.050 5.210 4.851 5.853 0.099 1 0 "[ . 1 . 2]" 1
85 1 13 ASN H 1 14 LEU QD 5.500 4.950 6.050 2.837 2.162 4.697 2.788 2 19 "[*+**-****** ********]" 1
86 1 13 ASN H 1 66 ALA MB 5.500 4.950 6.050 4.724 2.961 6.089 1.989 18 6 "[** .- * *. + 2]" 1
87 1 13 ASN H 1 87 LEU QD 5.500 4.950 6.050 4.579 3.982 4.889 0.968 5 6 "[ *-+* 1 * . *2]" 1
88 1 13 ASN H 1 87 LEU HG 5.500 4.950 6.050 4.494 3.285 4.869 1.665 5 5 "[ * +* 1- * . 2]" 1
89 1 13 ASN H 1 88 LYS H 5.500 4.950 6.050 3.886 2.681 4.638 2.269 11 13 "[ * *****1+** - * **]" 1
90 1 13 ASN HA 1 14 LEU H 5.500 4.950 6.050 2.512 2.339 2.665 2.611 20 20 [*******-***********+] 1
91 1 13 ASN HA 1 14 LEU QB 5.500 4.950 6.050 4.572 4.021 5.206 0.929 11 3 "[ . - 1+ . *]" 1
92 1 13 ASN HA 1 60 TYR H 5.500 4.950 6.050 4.890 4.529 5.212 0.421 8 0 "[ . 1 . 2]" 1
93 1 13 ASN QB 1 14 LEU H 5.500 4.950 6.050 3.765 3.458 4.189 1.492 16 20 [***************+**-*] 1
94 1 14 LEU H 1 14 LEU QD 5.500 4.950 6.050 2.637 2.081 3.298 2.869 12 20 [**********-+********] 1
95 1 14 LEU H 1 14 LEU HG 5.500 4.950 6.050 4.279 3.518 4.725 1.432 12 13 "[****-** 1 +**.* * *]" 1
96 1 14 LEU H 1 15 PHE H 5.500 4.950 6.050 4.338 4.081 4.623 0.869 10 16 "[**-***** +****.* * *]" 1
97 1 14 LEU H 1 15 PHE QB 5.500 4.950 6.050 5.556 4.632 5.917 0.318 10 0 "[ . 1 . 2]" 1
98 1 14 LEU H 1 15 PHE QD 5.500 4.950 6.050 4.808 3.419 5.704 1.531 4 4 "[ +. 1** . - 2]" 1
99 1 14 LEU H 1 16 ILE H 5.500 4.950 6.050 6.149 5.718 6.428 0.378 2 0 "[ . 1 . 2]" 1
100 1 14 LEU H 1 58 VAL H 5.500 4.950 6.050 2.711 2.091 3.190 2.859 17 20 [***********-****+***] 1
101 1 14 LEU H 1 58 VAL QG 5.500 4.950 6.050 3.522 2.949 4.102 2.001 17 20 [*********-******+***] 1
102 1 14 LEU H 1 59 SER HA 5.500 4.950 6.050 4.818 4.643 5.167 0.307 2 0 "[ . 1 . 2]" 1
103 1 14 LEU H 1 60 TYR H 5.500 4.950 6.050 5.229 4.974 5.493 . 0 0 "[ . 1 . 2]" 1
104 1 14 LEU H 1 60 TYR QB 5.500 4.950 6.050 5.001 4.588 5.390 0.362 20 0 "[ . 1 . 2]" 1
105 1 14 LEU HA 1 15 PHE H 5.500 4.950 6.050 2.488 2.275 2.576 2.675 11 20 [**********+*****-***] 1
106 1 14 LEU HA 1 16 ILE MD 5.500 4.950 6.050 6.398 5.716 6.679 0.629 8 2 "[ . + 1 . - 2]" 1
107 1 14 LEU HA 1 88 LYS H 5.500 4.950 6.050 5.349 4.806 5.999 0.144 9 0 "[ . 1 . 2]" 1
108 1 14 LEU QB 1 15 PHE H 5.500 4.950 6.050 3.868 3.730 3.963 1.220 13 20 [************+****-**] 1
109 1 14 LEU QB 1 16 ILE MD 5.500 4.950 6.050 4.351 3.227 4.979 1.723 12 16 "[** *-** ** +**** ***]" 1
110 1 14 LEU QB 1 32 PHE QD 5.500 4.950 6.050 5.403 4.994 5.815 . 0 0 "[ . 1 . 2]" 1
111 1 14 LEU QB 1 58 VAL QG 5.500 4.950 6.050 2.221 1.824 2.815 3.126 7 20 [******+***-*********] 1
112 1 14 LEU QB 1 70 ILE MD 5.500 4.950 6.050 3.391 2.855 4.245 2.095 13 20 [**********-*+*******] 1
113 1 14 LEU QB 1 85 VAL QG 5.500 4.950 6.050 3.530 2.559 3.998 2.391 12 20 [*********-*+********] 1
114 1 14 LEU QD 1 15 PHE H 5.500 4.950 6.050 4.556 2.976 4.867 1.974 11 6 "[ . **1+ * * -2]" 1
115 1 14 LEU QD 1 16 ILE MD 5.500 4.950 6.050 4.835 3.092 5.717 1.858 12 2 "[ . 1 + -. 2]" 1
116 1 14 LEU QD 1 32 PHE QD 5.500 4.950 6.050 4.048 3.116 5.803 1.834 12 14 "[******- * +**.* * *]" 1
117 1 14 LEU QD 1 58 VAL H 5.500 4.950 6.050 4.241 3.558 4.940 1.392 12 16 "[** ******- + *.*****]" 1
118 1 14 LEU QD 1 58 VAL QG 5.500 4.950 6.050 2.806 2.083 4.068 2.867 12 20 [**********-+********] 1
119 1 14 LEU QD 1 60 TYR QD 5.500 4.950 6.050 3.086 2.573 5.014 2.377 20 19 "[********** ***-****+]" 1
120 1 14 LEU QD 1 60 TYR QE 5.500 4.950 6.050 3.871 3.000 5.962 1.950 16 13 "[** **** * -**.+ * *]" 1
121 1 14 LEU QD 1 66 ALA H 5.500 4.950 6.050 5.081 4.507 6.347 0.443 2 0 "[ . 1 . 2]" 1
122 1 14 LEU QD 1 66 ALA HA 5.500 4.950 6.050 3.747 2.883 4.873 2.067 2 16 "[*+***** * -****** *]" 1
123 1 14 LEU QD 1 66 ALA MB 5.500 4.950 6.050 3.306 2.174 4.916 2.776 2 16 "[*+* ** **** *** ***-]" 1
124 1 14 LEU QD 1 69 ALA H 5.500 4.950 6.050 5.204 4.270 6.147 0.680 3 1 "[ + . 1 . 2]" 1
125 1 14 LEU QD 1 69 ALA MB 5.500 4.950 6.050 3.696 2.769 5.154 2.181 3 14 "[**+**** * **-.* * *]" 1
126 1 14 LEU QD 1 70 ILE H 5.500 4.950 6.050 4.529 3.417 5.349 1.533 3 9 "[**+*.*- 1 * .* *]" 1
127 1 14 LEU QD 1 85 VAL QG 5.500 4.950 6.050 3.728 2.116 4.099 2.834 11 20 [*********-+*********] 1
128 1 14 LEU QD 1 86 GLN HA 5.500 4.950 6.050 6.247 3.896 7.203 1.153 18 11 "[** *.-* ** *.* + *]" 1
129 1 14 LEU HG 1 15 PHE H 5.500 4.950 6.050 5.418 4.882 6.170 0.120 19 0 "[ . 1 . 2]" 1
130 1 14 LEU HG 1 32 PHE QD 5.500 4.950 6.050 6.224 5.916 6.499 0.449 7 0 "[ . 1 . 2]" 1
131 1 14 LEU HG 1 32 PHE QE 5.500 4.950 6.050 4.996 4.676 5.465 0.274 11 0 "[ . 1 . 2]" 1
132 1 14 LEU HG 1 58 VAL H 5.500 4.950 6.050 6.322 6.127 6.536 0.486 8 0 "[ . 1 . 2]" 1
133 1 14 LEU HG 1 58 VAL QG 5.500 4.950 6.050 4.470 4.193 4.644 0.757 7 7 "[ .-+ 1 *.****2]" 1
134 1 14 LEU HG 1 60 TYR H 5.500 4.950 6.050 6.166 5.710 6.411 0.361 7 0 "[ . 1 . 2]" 1
135 1 14 LEU HG 1 60 TYR QD 5.500 4.950 6.050 4.995 4.802 6.141 0.148 7 0 "[ . 1 . 2]" 1
136 1 14 LEU HG 1 60 TYR QE 5.500 4.950 6.050 5.868 5.236 7.601 1.551 3 2 "[ + . 1 . - 2]" 1
137 1 14 LEU HG 1 66 ALA H 5.500 4.950 6.050 6.877 6.280 7.754 1.704 12 12 "[- ***** 1 +* *** *]" 1
138 1 14 LEU HG 1 66 ALA HA 5.500 4.950 6.050 4.648 3.831 5.332 1.119 10 7 "[** .- + *. * *]" 1
139 1 14 LEU HG 1 69 ALA H 5.500 4.950 6.050 6.570 6.344 7.217 1.167 11 5 "[ * 1+**-. 2]" 1
140 1 14 LEU HG 1 69 ALA MB 5.500 4.950 6.050 4.929 4.744 5.791 0.206 7 0 "[ . 1 . 2]" 1
141 1 14 LEU HG 1 70 ILE H 5.500 4.950 6.050 5.253 4.835 5.873 0.115 6 0 "[ . 1 . 2]" 1
142 1 14 LEU HG 1 85 VAL QG 5.500 4.950 6.050 4.392 4.033 4.902 0.917 6 12 "[*-***+* 1*** .* *]" 1
143 1 14 LEU HG 1 86 GLN H 5.500 4.950 6.050 6.712 6.246 8.091 2.041 9 8 "[ * . *+- * * * *2]" 1
144 1 15 PHE H 1 15 PHE QD 5.500 4.950 6.050 2.397 1.910 3.100 3.040 13 20 [***********-+*******] 1
145 1 15 PHE H 1 16 ILE H 5.500 4.950 6.050 4.586 4.533 4.670 0.417 2 0 "[ . 1 . 2]" 1
146 1 15 PHE H 1 16 ILE HA 5.500 4.950 6.050 5.194 4.938 5.462 0.012 4 0 "[ . 1 . 2]" 1
147 1 15 PHE H 1 16 ILE MD 5.500 4.950 6.050 6.192 5.975 6.353 0.303 14 0 "[ . 1 . 2]" 1
148 1 15 PHE H 1 16 ILE MG 5.500 4.950 6.050 5.454 4.889 6.168 0.118 15 0 "[ . 1 . 2]" 1
149 1 15 PHE H 1 85 VAL HA 5.500 4.950 6.050 5.045 4.810 5.349 0.140 11 0 "[ . 1 . 2]" 1
150 1 15 PHE H 1 85 VAL QG 5.500 4.950 6.050 3.269 2.658 3.989 2.292 9 20 [******-*+***********] 1
151 1 15 PHE H 1 87 LEU HA 5.500 4.950 6.050 5.605 5.040 5.977 . 0 0 "[ . 1 . 2]" 1
152 1 15 PHE H 1 88 LYS H 5.500 4.950 6.050 5.940 5.410 6.251 0.201 20 0 "[ . 1 . 2]" 1
153 1 15 PHE HA 1 16 ILE H 5.500 4.950 6.050 2.349 2.259 2.439 2.691 5 20 [****+***********-***] 1
154 1 15 PHE HA 1 16 ILE MD 5.500 4.950 6.050 4.641 4.113 5.095 0.837 3 4 "[ +*- * 1 . 2]" 1
155 1 15 PHE HA 1 56 GLY H 5.500 4.950 6.050 4.860 4.313 5.390 0.637 7 1 "[ . + 1 . 2]" 1
156 1 15 PHE QB 1 17 TYR QE 5.500 4.950 6.050 4.705 2.825 5.964 2.125 12 4 "[ -. * 1 + . *]" 1
157 1 15 PHE QB 1 55 PHE QB 5.500 4.950 6.050 5.364 3.299 6.067 1.651 11 1 "[ . 1+ . 2]" 1
158 1 15 PHE QB 1 86 GLN H 5.500 4.950 6.050 4.800 4.569 5.453 0.381 7 0 "[ . 1 . 2]" 1
159 1 15 PHE QD 1 16 ILE H 5.500 4.950 6.050 4.775 4.620 4.968 0.330 9 0 "[ . 1 . 2]" 1
160 1 15 PHE QE 1 85 VAL QG 5.500 4.950 6.050 5.866 3.988 6.852 0.962 13 3 "[ . - 1 +*. 2]" 1
161 1 16 ILE H 1 16 ILE MD 5.500 4.950 6.050 3.033 2.347 3.831 2.603 3 20 [**+********-********] 1
162 1 16 ILE H 1 17 TYR H 5.500 4.950 6.050 4.469 4.143 4.584 0.807 5 5 "[* +- 1 *. *2]" 1
163 1 16 ILE H 1 56 GLY H 5.500 4.950 6.050 4.193 3.233 4.687 1.717 12 11 "[ * -*** *1 + *. ***2]" 1
164 1 16 ILE H 1 57 PHE HA 5.500 4.950 6.050 3.278 2.595 3.681 2.355 19 20 [*********-********+*] 1
165 1 16 ILE HA 1 17 TYR H 5.500 4.950 6.050 2.038 1.957 2.137 2.993 13 20 [************+***-***] 1
166 1 16 ILE HA 1 17 TYR QD 5.500 4.950 6.050 4.018 3.473 4.748 1.477 7 16 "[ **- +****** ******]" 1
167 1 16 ILE HA 1 17 TYR QE 5.500 4.950 6.050 5.600 4.794 6.058 0.156 7 0 "[ . 1 . 2]" 1
168 1 16 ILE HA 1 18 HIS QB 5.500 4.950 6.050 6.125 5.865 6.301 0.251 12 0 "[ . 1 . 2]" 1
169 1 16 ILE HA 1 19 LEU H 5.500 4.950 6.050 6.532 6.252 8.063 2.013 12 3 "[ . 1 + * - 2]" 1
170 1 16 ILE HA 1 85 VAL QG 5.500 4.950 6.050 2.428 2.011 2.803 2.939 12 20 [******-****+********] 1
171 1 16 ILE HB 1 17 TYR H 5.500 4.950 6.050 3.732 3.368 4.128 1.582 7 20 [******+*-***********] 1
172 1 16 ILE HB 1 56 GLY H 5.500 4.950 6.050 5.704 3.732 6.579 1.218 12 2 "[ - . 1 + . 2]" 1
173 1 16 ILE HB 1 56 GLY QA 5.500 4.950 6.050 4.579 4.286 5.165 0.664 12 3 "[ * - 1 + . 2]" 1
174 1 16 ILE HB 1 57 PHE H 5.500 4.950 6.050 6.154 5.898 6.315 0.265 10 0 "[ . 1 . 2]" 1
175 1 16 ILE MD 1 17 TYR H 5.500 4.950 6.050 5.191 4.888 5.628 0.062 3 0 "[ . 1 . 2]" 1
176 1 16 ILE MD 1 19 LEU QD 5.500 4.950 6.050 4.482 3.757 4.995 1.193 11 8 "[* *** -+ .* * 2]" 1
177 1 16 ILE MD 1 28 ILE MD 5.500 4.950 6.050 2.724 2.345 3.933 2.605 12 20 [***********+******-*] 1
178 1 16 ILE MD 1 32 PHE QE 5.500 4.950 6.050 4.407 2.483 5.207 2.467 9 6 "[ - . +1 * * * *2]" 1
179 1 16 ILE MD 1 56 GLY H 5.500 4.950 6.050 5.645 4.857 6.167 0.117 15 0 "[ . 1 . 2]" 1
180 1 16 ILE MD 1 57 PHE H 5.500 4.950 6.050 4.257 3.243 5.044 1.707 3 11 "[* +**-** 1 .*** *]" 1
181 1 16 ILE MD 1 58 VAL H 5.500 4.950 6.050 4.944 4.638 5.464 0.312 11 0 "[ . 1 . 2]" 1
182 1 16 ILE MD 1 85 VAL QG 5.500 4.950 6.050 4.438 3.497 4.886 1.453 12 5 "[ . -*+ * *2]" 1
183 1 16 ILE QG 1 28 ILE MD 5.500 4.950 6.050 4.455 4.254 4.755 0.696 12 12 "[* ***-** 1 + *.* * *]" 1
184 1 16 ILE QG 1 58 VAL H 5.500 4.950 6.050 4.777 4.371 5.302 0.579 19 1 "[ . 1 . +2]" 1
185 1 16 ILE QG 1 85 VAL QG 5.500 4.950 6.050 3.335 2.284 3.920 2.666 12 20 [******-****+********] 1
186 1 16 ILE MG 1 17 TYR H 5.500 4.950 6.050 2.974 2.336 3.498 2.614 15 20 [****-*********+*****] 1
187 1 16 ILE MG 1 17 TYR QD 5.500 4.950 6.050 5.111 4.761 5.555 0.189 11 0 "[ . 1 . 2]" 1
188 1 16 ILE MG 1 19 LEU H 5.500 4.950 6.050 5.470 4.734 6.252 0.216 11 0 "[ . 1 . 2]" 1
189 1 16 ILE MG 1 28 ILE MD 5.500 4.950 6.050 4.610 3.532 4.918 1.418 12 3 "[ . 1-+ *. 2]" 1
190 1 16 ILE MG 1 28 ILE QG 5.500 4.950 6.050 4.376 3.825 4.774 1.125 14 13 "[-* *** ** *+.* ***]" 1
191 1 16 ILE MG 1 32 PHE QE 5.500 4.950 6.050 3.605 2.472 4.835 2.478 17 17 "[*********- **.*+***]" 1
192 1 16 ILE MG 1 56 GLY H 5.500 4.950 6.050 6.035 5.008 6.425 0.375 17 0 "[ . 1 . 2]" 1
193 1 16 ILE MG 1 57 PHE H 5.500 4.950 6.050 6.718 6.270 7.125 1.075 10 11 "[** .* *+***** -]" 1
194 1 17 TYR H 1 17 TYR QD 5.500 4.950 6.050 3.214 2.867 3.708 2.083 19 20 [***********-******+*] 1
195 1 17 TYR H 1 17 TYR QE 5.500 4.950 6.050 4.788 4.675 5.685 0.275 11 0 "[ . 1 . 2]" 1
196 1 17 TYR H 1 18 HIS H 5.500 4.950 6.050 4.562 4.493 4.626 0.457 20 0 "[ . 1 . 2]" 1
197 1 17 TYR H 1 18 HIS HA 5.500 4.950 6.050 6.037 5.922 6.157 0.107 2 0 "[ . 1 . 2]" 1
198 1 17 TYR H 1 84 LYS H 5.500 4.950 6.050 4.711 3.815 4.996 1.135 12 3 "[ . 1*+ - 2]" 1
199 1 17 TYR H 1 84 LYS QB 5.500 4.950 6.050 5.795 4.584 6.378 0.366 12 0 "[ . 1 . 2]" 1
200 1 17 TYR HA 1 17 TYR QE 5.500 4.950 6.050 5.736 4.471 5.856 0.479 12 0 "[ . 1 . 2]" 1
201 1 17 TYR HA 1 18 HIS H 5.500 4.950 6.050 2.535 2.420 2.628 2.530 6 20 [*****+****-*********] 1
202 1 17 TYR HA 1 18 HIS QB 5.500 4.950 6.050 4.510 4.388 4.582 0.562 12 3 "[ . 1 +* .- 2]" 1
203 1 17 TYR HA 1 19 LEU H 5.500 4.950 6.050 3.584 3.029 4.904 1.921 8 19 "[*******+*** *-******]" 1
204 1 17 TYR HA 1 56 GLY H 5.500 4.950 6.050 3.744 2.944 4.770 2.006 19 15 "[** -** *** **** *+*]" 1
205 1 17 TYR QB 1 18 HIS H 5.500 4.950 6.050 2.737 2.288 3.219 2.662 7 20 [******+****-********] 1
206 1 17 TYR QB 1 19 LEU HG 5.500 4.950 6.050 5.987 5.753 7.442 1.392 12 1 "[ . 1 + . 2]" 1
207 1 17 TYR QD 1 18 HIS H 5.500 4.950 6.050 3.245 2.698 3.779 2.252 8 20 [*****-*+************] 1
208 1 17 TYR QD 1 55 PHE QB 5.500 4.950 6.050 4.971 3.389 5.719 1.561 11 2 "[ . 1+ . -2]" 1
209 1 17 TYR QD 1 55 PHE QD 5.500 4.950 6.050 4.491 2.733 5.721 2.217 6 7 "[** -+ *1 *. * 2]" 1
210 1 18 HIS H 1 18 HIS HD2 5.500 4.950 6.050 4.863 3.301 6.052 1.649 5 6 "[* + *1* - * 2]" 1
211 1 18 HIS H 1 19 LEU H 5.500 4.950 6.050 2.570 2.334 2.917 2.616 9 20 [********+**-********] 1
212 1 18 HIS H 1 55 PHE QB 5.500 4.950 6.050 5.919 4.978 6.387 0.337 8 0 "[ . 1 . 2]" 1
213 1 18 HIS HA 1 18 HIS HD2 5.500 4.950 6.050 3.381 2.242 4.774 2.708 9 13 "[** *-* +*** ** * *]" 1
214 1 18 HIS HA 1 19 LEU HA 5.500 4.950 6.050 4.819 4.646 4.881 0.304 12 0 "[ . 1 . 2]" 1
215 1 18 HIS HA 1 19 LEU QD 5.500 4.950 6.050 4.444 3.680 5.085 1.270 8 6 "[ * . *+*1- . * 2]" 1
216 1 18 HIS QB 1 81 LYS QB 5.500 4.950 6.050 3.188 2.052 3.745 2.898 17 20 [***************-+***] 1
217 1 18 HIS QB 1 81 LYS QD 5.500 4.950 6.050 4.202 3.442 4.848 1.508 4 15 "[ **+* - *1***** ****]" 1
218 1 18 HIS QB 1 81 LYS QE 5.500 4.950 6.050 4.639 3.800 5.054 1.150 1 6 "[+ * ** - . *2]" 1
219 1 18 HIS QB 1 82 ARG QD 5.500 4.950 6.050 4.486 3.151 5.340 1.799 16 8 "[ **.* 1- * .+ **2]" 1
220 1 18 HIS QB 1 82 ARG QG 5.500 4.950 6.050 4.284 3.668 4.852 1.282 20 12 "[*** ** *1 * *** - +]" 1
221 1 18 HIS QB 1 83 LEU QD 5.500 4.950 6.050 3.666 2.276 4.227 2.674 7 20 [******+***-*********] 1
222 1 19 LEU H 1 19 LEU HG 5.500 4.950 6.050 2.249 1.870 4.489 3.080 11 19 "[*******-**+ ********]" 1
223 1 19 LEU HA 1 20 PRO QD 5.500 4.950 6.050 1.911 1.803 2.115 3.147 13 20 [*******-****+*******] 1
224 1 19 LEU HA 1 28 ILE MD 5.500 4.950 6.050 5.968 5.392 6.296 0.246 12 0 "[ . 1 . 2]" 1
225 1 19 LEU HA 1 78 ILE MD 5.500 4.950 6.050 5.886 3.962 6.989 0.988 9 5 "[* .* *+1 - . 2]" 1
226 1 19 LEU QB 1 20 PRO QD 5.500 4.950 6.050 2.691 2.440 3.673 2.510 17 20 [***********-****+***] 1
227 1 19 LEU QB 1 28 ILE MD 5.500 4.950 6.050 3.913 3.327 6.582 1.623 8 20 [*******+***-********] 1
228 1 19 LEU QB 1 43 VAL QG 5.500 4.950 6.050 4.147 3.870 4.393 1.080 20 20 [***************-***+] 1
229 1 19 LEU QD 1 20 PRO QB 5.500 4.950 6.050 4.942 4.752 5.290 0.198 18 0 "[ . 1 . 2]" 1
230 1 19 LEU QD 1 20 PRO QD 5.500 4.950 6.050 3.877 3.388 4.098 1.562 12 20 [**-********+********] 1
231 1 19 LEU QD 1 21 GLN QB 5.500 4.950 6.050 5.225 4.920 5.622 0.030 20 0 "[ . 1 . 2]" 1
232 1 19 LEU QD 1 23 PHE H 5.500 4.950 6.050 4.414 3.922 4.860 1.028 16 7 "[ .* 1 **.+*- *]" 1
233 1 19 LEU QD 1 23 PHE QD 5.500 4.950 6.050 4.422 3.711 5.486 1.239 11 11 "[* -** *+ * .* ***]" 1
234 1 19 LEU QD 1 28 ILE MG 5.500 4.950 6.050 5.049 4.849 5.613 0.101 4 0 "[ . 1 . 2]" 1
235 1 19 LEU QD 1 78 ILE MD 5.500 4.950 6.050 6.686 5.723 7.427 1.377 1 12 "[+** ** * **** - *]" 1
236 1 19 LEU HG 1 20 PRO QB 5.500 4.950 6.050 6.464 6.004 6.803 0.753 10 8 "[- ** + *.* * *]" 1
237 1 19 LEU HG 1 20 PRO HG2 5.500 4.950 6.050 6.262 5.133 6.460 0.410 6 0 "[ . 1 . 2]" 1
238 1 19 LEU HG 1 23 PHE QD 5.500 4.950 6.050 6.130 5.899 6.371 0.321 17 0 "[ . 1 . 2]" 1
239 1 19 LEU HG 1 24 GLY QA 5.500 4.950 6.050 4.781 4.492 5.732 0.458 12 0 "[ . 1 . 2]" 1
240 1 19 LEU HG 1 28 ILE MD 5.500 4.950 6.050 5.045 4.792 5.585 0.158 18 0 "[ . 1 . 2]" 1
241 1 19 LEU HG 1 28 ILE QG 5.500 4.950 6.050 6.201 5.192 7.005 0.955 3 3 "[ *+ . 1 - 2]" 1
242 1 20 PRO HA 1 21 GLN H 5.500 4.950 6.050 2.403 2.271 2.542 2.679 19 20 [****-*************+*] 1
243 1 20 PRO QB 1 21 GLN H 5.500 4.950 6.050 2.569 2.335 2.722 2.615 11 20 [******-***+*********] 1
244 1 20 PRO QB 1 21 GLN HA 5.500 4.950 6.050 4.653 4.552 4.715 0.398 11 0 "[ . 1 . 2]" 1
245 1 20 PRO QB 1 22 GLU H 5.500 4.950 6.050 2.844 2.399 3.208 2.551 8 20 [***-***+************] 1
246 1 20 PRO QB 1 23 PHE QD 5.500 4.950 6.050 5.106 4.667 6.020 0.283 9 0 "[ . 1 . 2]" 1
247 1 20 PRO QB 1 78 ILE MD 5.500 4.950 6.050 4.768 4.445 5.005 0.505 10 1 "[ . + . 2]" 1
248 1 20 PRO QB 1 78 ILE MG 5.500 4.950 6.050 2.567 2.042 2.951 2.908 9 20 [***-****+***********] 1
249 1 20 PRO QD 1 78 ILE MD 5.500 4.950 6.050 4.169 3.059 4.935 1.891 9 13 "[ * ** **+** -****2]" 1
250 1 20 PRO QD 1 78 ILE MG 5.500 4.950 6.050 3.456 2.001 4.062 2.949 9 20 [********+*****-*****] 1
251 1 20 PRO QD 1 83 LEU HG 5.500 4.950 6.050 4.613 3.901 5.670 1.049 6 8 "[ - *+ * *.* * *]" 1
252 1 21 GLN H 1 22 GLU HA 5.500 4.950 6.050 5.501 5.118 5.662 . 0 0 "[ . 1 . 2]" 1
253 1 21 GLN H 1 22 GLU QB 5.500 4.950 6.050 4.933 4.631 5.388 0.319 9 0 "[ . 1 . 2]" 1
254 1 21 GLN HA 1 22 GLU HA 5.500 4.950 6.050 4.708 4.598 4.799 0.352 16 0 "[ . 1 . 2]" 1
255 1 21 GLN HA 1 22 GLU QG 5.500 4.950 6.050 5.916 4.981 6.362 0.312 15 0 "[ . 1 . 2]" 1
256 1 21 GLN QB 1 22 GLU H 5.500 4.950 6.050 3.406 2.690 3.732 2.260 13 20 [********-***+*******] 1
257 1 21 GLN QB 1 78 ILE MG 5.500 4.950 6.050 6.011 5.810 6.538 0.488 7 0 "[ . 1 . 2]" 1
258 1 21 GLN HE21 1 79 GLY HA2 5.500 4.950 6.050 6.109 5.750 6.239 0.189 4 0 "[ . 1 . 2]" 1
259 1 21 GLN QG 1 22 GLU QB 5.500 4.950 6.050 3.680 3.165 4.482 1.785 14 19 "[*********- **+******]" 1
260 1 22 GLU H 1 23 PHE H 5.500 4.950 6.050 2.461 2.322 2.638 2.628 6 20 [*****+***-**********] 1
261 1 22 GLU H 1 23 PHE QB 5.500 4.950 6.050 4.592 4.410 4.673 0.540 11 1 "[ . 1+ . 2]" 1
262 1 22 GLU H 1 23 PHE QD 5.500 4.950 6.050 5.263 4.835 6.243 0.193 11 0 "[ . 1 . 2]" 1
263 1 22 GLU QB 1 23 PHE QD 5.500 4.950 6.050 3.744 3.031 4.697 1.919 12 16 "[*****-**** +* . ****]" 1
264 1 22 GLU QB 1 78 ILE MG 5.500 4.950 6.050 4.443 2.833 5.748 2.117 12 15 "[*** ** **+-*** ***]" 1
265 1 22 GLU QG 1 23 PHE H 5.500 4.950 6.050 4.329 2.458 4.723 2.492 11 4 "[ - * *+ . 2]" 1
266 1 22 GLU QG 1 23 PHE HA 5.500 4.950 6.050 5.254 4.049 5.894 0.901 11 1 "[ . 1+ . 2]" 1
267 1 22 GLU QG 1 23 PHE QD 5.500 4.950 6.050 4.947 3.981 5.399 0.969 11 1 "[ . 1+ . 2]" 1
268 1 23 PHE H 1 23 PHE QD 5.500 4.950 6.050 3.343 2.798 4.285 2.152 4 20 [***+******-*********] 1
269 1 23 PHE H 1 24 GLY H 5.500 4.950 6.050 4.707 4.351 4.851 0.599 11 1 "[ . 1+ . 2]" 1
270 1 23 PHE HA 1 23 PHE QE 5.500 4.950 6.050 4.534 4.404 4.696 0.546 1 2 "[+ . 1 - . 2]" 1
271 1 23 PHE HA 1 24 GLY H 5.500 4.950 6.050 2.681 2.362 2.919 2.588 12 20 [***********+*****-**] 1
272 1 23 PHE HA 1 27 ASP H 5.500 4.950 6.050 5.411 4.831 5.878 0.119 7 0 "[ . 1 . 2]" 1
273 1 23 PHE HA 1 28 ILE H 5.500 4.950 6.050 5.771 5.345 6.069 0.019 12 0 "[ . 1 . 2]" 1
274 1 23 PHE QB 1 24 GLY H 5.500 4.950 6.050 2.566 2.048 4.217 2.902 8 20 [*******+**-*********] 1
275 1 23 PHE QB 1 24 GLY QA 5.500 4.950 6.050 3.988 3.631 4.346 1.319 7 20 [******+***-*********] 1
276 1 23 PHE QB 1 28 ILE H 5.500 4.950 6.050 5.911 4.841 6.185 0.135 13 0 "[ . 1 . 2]" 1
277 1 23 PHE QD 1 24 GLY H 5.500 4.950 6.050 4.222 3.859 4.798 1.091 17 16 "[****** *** ****+- *]" 1
278 1 23 PHE QD 1 28 ILE MD 5.500 4.950 6.050 4.953 3.086 5.579 1.864 12 2 "[ . 1-+ . 2]" 1
279 1 23 PHE QD 1 78 ILE MD 5.500 4.950 6.050 4.515 3.127 5.603 1.823 12 9 "[ -*** * + * **2]" 1
280 1 23 PHE QE 1 78 ILE MD 5.500 4.950 6.050 4.052 2.886 5.888 2.064 4 12 "[ **+* * * -** ***]" 1
281 1 23 PHE QE 1 78 ILE MG 5.500 4.950 6.050 4.706 3.501 6.106 1.449 12 6 "[ **. 1 + - **2]" 1
282 1 24 GLY H 1 25 ASP H 5.500 4.950 6.050 4.460 3.922 4.627 1.028 7 5 "[ . + -1** . * 2]" 1
283 1 24 GLY H 1 27 ASP H 5.500 4.950 6.050 4.752 3.569 5.382 1.381 12 3 "[ . - 1 + . *2]" 1
284 1 24 GLY H 1 27 ASP QB 5.500 4.950 6.050 4.106 1.976 4.928 2.974 19 10 "[ **- ** 1** . * +*]" 1
285 1 24 GLY H 1 28 ILE H 5.500 4.950 6.050 4.791 4.667 5.310 0.283 20 0 "[ . 1 . 2]" 1
286 1 24 GLY H 1 43 VAL QG 5.500 4.950 6.050 4.751 4.338 5.970 0.612 2 5 "[ + ** * . - 2]" 1
287 1 24 GLY QA 1 25 ASP H 5.500 4.950 6.050 2.464 2.285 2.569 2.665 7 20 [******+************-] 1
288 1 24 GLY QA 1 26 GLN H 5.500 4.950 6.050 4.549 4.361 4.677 0.589 12 4 "[ - *. 1 + . *2]" 1
289 1 24 GLY QA 1 43 VAL QG 5.500 4.950 6.050 3.283 2.980 3.855 1.970 2 20 [*+****************-*] 1
290 1 25 ASP H 1 26 GLN H 5.500 4.950 6.050 2.889 2.676 3.112 2.274 12 20 [***********+******-*] 1
291 1 25 ASP H 1 26 GLN QB 5.500 4.950 6.050 4.860 4.591 5.529 0.359 14 0 "[ . 1 . 2]" 1
292 1 25 ASP H 1 27 ASP QB 5.500 4.950 6.050 5.277 4.674 5.920 0.276 4 0 "[ . 1 . 2]" 1
293 1 25 ASP H 1 43 VAL HB 5.500 4.950 6.050 6.373 6.121 6.787 0.737 15 2 "[ . 1 + - 2]" 1
294 1 25 ASP H 1 43 VAL QG 5.500 4.950 6.050 3.471 3.285 3.833 1.665 20 20 [**************-****+] 1
295 1 25 ASP HA 1 29 LEU H 5.500 4.950 6.050 5.394 5.043 6.145 0.095 17 0 "[ . 1 . 2]" 1
296 1 25 ASP HA 1 41 ALA MB 5.500 4.950 6.050 4.788 3.782 5.885 1.168 20 2 "[ . 1 -. +]" 1
297 1 25 ASP HA 1 42 LYS HA 5.500 4.950 6.050 5.179 3.197 5.691 1.753 17 2 "[ . 1 . + -2]" 1
298 1 25 ASP QB 1 26 GLN H 5.500 4.950 6.050 3.381 3.038 3.652 1.912 6 20 [*-***+**************] 1
299 1 25 ASP QB 1 27 ASP H 5.500 4.950 6.050 4.781 4.540 5.098 0.410 19 0 "[ . 1 . 2]" 1
300 1 25 ASP QB 1 29 LEU H 5.500 4.950 6.050 6.048 5.752 6.968 0.918 17 2 "[ - . 1 . + 2]" 1
301 1 25 ASP QB 1 43 VAL H 5.500 4.950 6.050 2.850 2.127 3.667 2.823 19 20 [**************-***+*] 1
302 1 26 GLN H 1 27 ASP H 5.500 4.950 6.050 2.567 2.241 3.028 2.709 11 20 [**********+*******-*] 1
303 1 26 GLN H 1 28 ILE MG 5.500 4.950 6.050 5.897 4.849 6.443 0.393 4 0 "[ . 1 . 2]" 1
304 1 26 GLN H 1 29 LEU QD 5.500 4.950 6.050 5.768 4.868 6.769 0.719 17 3 "[ . * 1 . + -]" 1
305 1 26 GLN HA 1 26 GLN QE 5.500 4.950 6.050 4.295 3.914 4.976 1.036 13 17 "[* ***** ****+**** *-]" 1
306 1 26 GLN HA 1 29 LEU H 5.500 4.950 6.050 4.502 3.691 4.745 1.259 5 4 "[ +* * .- 2]" 1
307 1 26 GLN HA 1 29 LEU QB 5.500 4.950 6.050 4.772 4.198 5.741 0.752 4 3 "[ +. * . - 2]" 1
308 1 26 GLN QB 1 27 ASP H 5.500 4.950 6.050 3.303 2.613 4.045 2.337 11 20 [**********+-********] 1
309 1 26 GLN QE 1 27 ASP H 5.500 4.950 6.050 4.449 3.097 4.999 1.853 3 4 "[ + . -* 1 * . 2]" 1
310 1 26 GLN QE 1 27 ASP QB 5.500 4.950 6.050 4.157 2.801 5.109 2.149 3 14 "[**+** ***1** -. ***2]" 1
311 1 26 GLN QE 1 29 LEU QD 5.500 4.950 6.050 4.370 3.218 5.193 1.732 11 11 "[ *. -+ ********]" 1
312 1 26 GLN QE 1 30 GLN QB 5.500 4.950 6.050 5.284 4.444 6.034 0.506 4 1 "[ +. 1 . 2]" 1
313 1 27 ASP H 1 28 ILE H 5.500 4.950 6.050 2.553 2.249 2.954 2.701 19 20 [****************-*+*] 1
314 1 27 ASP H 1 28 ILE MG 5.500 4.950 6.050 5.278 4.758 5.663 0.192 9 0 "[ . 1 . 2]" 1
315 1 27 ASP H 1 29 LEU H 5.500 4.950 6.050 4.620 4.228 4.811 0.722 19 2 "[ . - . +2]" 1
316 1 27 ASP H 1 29 LEU QD 5.500 4.950 6.050 5.365 4.722 6.173 0.228 2 0 "[ . 1 . 2]" 1
317 1 27 ASP HA 1 30 GLN H 5.500 4.950 6.050 3.402 2.786 4.150 2.164 4 20 [***+**********-*****] 1
318 1 27 ASP QB 1 28 ILE H 5.500 4.950 6.050 3.741 3.525 3.919 1.425 5 20 [****+********-******] 1
319 1 27 ASP QB 1 30 GLN HA 5.500 4.950 6.050 5.762 5.383 6.216 0.166 19 0 "[ . 1 . 2]" 1
320 1 28 ILE H 1 28 ILE MD 5.500 4.950 6.050 3.863 3.306 4.556 1.644 11 18 "[******* **+***-* ***]" 1
321 1 28 ILE H 1 29 LEU H 5.500 4.950 6.050 2.566 2.146 3.004 2.804 8 20 [*******+**-*********] 1
322 1 28 ILE H 1 29 LEU QD 5.500 4.950 6.050 4.381 3.502 5.409 1.448 3 10 "[**+ -* * ** .* *2]" 1
323 1 28 ILE H 1 43 VAL QG 5.500 4.950 6.050 5.487 5.183 5.665 . 0 0 "[ . 1 . 2]" 1
324 1 28 ILE HA 1 32 PHE QD 5.500 4.950 6.050 5.318 4.182 6.296 0.768 12 1 "[ . 1 + . 2]" 1
325 1 28 ILE HB 1 29 LEU H 5.500 4.950 6.050 3.356 2.813 3.959 2.137 2 20 [*+-*****************] 1
326 1 28 ILE HB 1 43 VAL QG 5.500 4.950 6.050 4.408 4.083 4.654 0.867 8 8 "[ * . *+*1- * * *2]" 1
327 1 28 ILE MD 1 41 ALA MB 5.500 4.950 6.050 3.726 3.088 5.096 1.862 6 16 "[** **+**** ****-* *]" 1
328 1 28 ILE MD 1 43 VAL QG 5.500 4.950 6.050 2.557 2.218 4.779 2.732 3 19 "[**+******-* ********]" 1
329 1 28 ILE MD 1 56 GLY H 5.500 4.950 6.050 6.253 5.136 7.006 0.956 3 5 "[ +*. * 1 * .- 2]" 1
330 1 28 ILE MD 1 57 PHE H 5.500 4.950 6.050 5.138 4.806 6.426 0.376 12 0 "[ . 1 . 2]" 1
331 1 28 ILE MD 1 58 VAL QG 5.500 4.950 6.050 4.466 3.889 5.247 1.061 12 11 "[* *** **+* *- *]" 1
332 1 28 ILE QG 1 29 LEU H 5.500 4.950 6.050 4.524 4.341 4.771 0.609 15 5 "[-* . * *1 + 2]" 1
333 1 28 ILE QG 1 29 LEU QD 5.500 4.950 6.050 5.411 4.576 6.391 0.374 15 0 "[ . 1 . 2]" 1
334 1 28 ILE QG 1 32 PHE QD 5.500 4.950 6.050 5.215 4.941 5.564 0.009 17 0 "[ . 1 . 2]" 1
335 1 28 ILE QG 1 32 PHE QE 5.500 4.950 6.050 5.689 4.940 6.101 0.051 10 0 "[ . 1 . 2]" 1
336 1 28 ILE QG 1 41 ALA MB 5.500 4.950 6.050 4.549 3.833 5.855 1.117 9 8 "[ ** *+1 * *. *- 2]" 1
337 1 28 ILE QG 1 43 VAL QG 5.500 4.950 6.050 4.093 3.832 4.270 1.118 19 20 [*************-****+*] 1
338 1 28 ILE QG 1 58 VAL QG 5.500 4.950 6.050 4.342 3.478 5.055 1.472 12 14 "[*-**** * **+* ** *]" 1
339 1 28 ILE MG 1 29 LEU H 5.500 4.950 6.050 2.728 2.356 3.049 2.594 7 20 [******+************-] 1
340 1 28 ILE MG 1 30 GLN H 5.500 4.950 6.050 4.570 4.336 4.709 0.614 9 1 "[ . +1 . 2]" 1
341 1 28 ILE MG 1 32 PHE QD 5.500 4.950 6.050 5.101 4.713 5.972 0.237 18 0 "[ . 1 . 2]" 1
342 1 28 ILE MG 1 33 MET ME 5.500 4.950 6.050 6.386 6.146 7.023 0.973 18 2 "[ . 1 - + 2]" 1
343 1 28 ILE MG 1 33 MET QG 5.500 4.950 6.050 6.266 6.137 6.480 0.430 8 0 "[ . 1 . 2]" 1
344 1 28 ILE MG 1 38 VAL HB 5.500 4.950 6.050 5.304 4.898 6.140 0.090 17 0 "[ . 1 . 2]" 1
345 1 28 ILE MG 1 38 VAL QG 5.500 4.950 6.050 4.017 3.568 4.585 1.382 11 18 "[******** *+***.**-**]" 1
346 1 28 ILE MG 1 41 ALA H 5.500 4.950 6.050 5.263 4.798 6.300 0.250 11 0 "[ . 1 . 2]" 1
347 1 28 ILE MG 1 41 ALA MB 5.500 4.950 6.050 2.470 2.168 3.708 2.782 19 20 [**********-*******+*] 1
348 1 28 ILE MG 1 43 VAL QG 5.500 4.950 6.050 4.313 3.876 4.665 1.074 15 13 "[ ** *****1* +-***2]" 1
349 1 28 ILE MG 1 58 VAL QG 5.500 4.950 6.050 3.195 2.490 4.255 2.460 12 20 [********-**+********] 1
350 1 29 LEU H 1 29 LEU QD 5.500 4.950 6.050 2.904 2.092 3.604 2.858 2 20 [*+*****-************] 1
351 1 29 LEU H 1 30 GLN HA 5.500 4.950 6.050 5.122 4.802 5.410 0.148 3 0 "[ . 1 . 2]" 1
352 1 29 LEU H 1 30 GLN QB 5.500 4.950 6.050 4.723 4.249 4.956 0.701 3 1 "[ + . 1 . 2]" 1
353 1 29 LEU H 1 41 ALA MB 5.500 4.950 6.050 4.751 4.204 5.087 0.746 17 2 "[ . 1 . + -2]" 1
354 1 29 LEU HA 1 32 PHE H 5.500 4.950 6.050 4.103 3.416 4.733 1.534 11 16 "[ -**.****1+******* *]" 1
355 1 29 LEU HA 1 32 PHE QB 5.500 4.950 6.050 4.109 3.370 4.735 1.580 7 14 "[ ***.*+ 1******-* *]" 1
356 1 29 LEU HA 1 33 MET H 5.500 4.950 6.050 5.441 4.454 6.124 0.496 15 0 "[ . 1 . 2]" 1
357 1 29 LEU HA 1 33 MET HA 5.500 4.950 6.050 5.702 5.290 6.372 0.322 15 0 "[ . 1 . 2]" 1
358 1 29 LEU HA 1 41 ALA MB 5.500 4.950 6.050 5.106 3.490 6.068 1.460 19 2 "[ . 1 . - +2]" 1
359 1 29 LEU HA 1 58 VAL QG 5.500 4.950 6.050 4.757 4.606 5.102 0.344 13 0 "[ . 1 . 2]" 1
360 1 29 LEU QB 1 30 GLN H 5.500 4.950 6.050 3.621 3.462 4.004 1.488 17 20 [*****-**********+***] 1
361 1 29 LEU QB 1 30 GLN QB 5.500 4.950 6.050 4.960 4.373 5.423 0.577 9 2 "[ . +1 . -2]" 1
362 1 29 LEU QB 1 30 GLN QG 5.500 4.950 6.050 4.120 2.953 5.483 1.997 19 14 "[** ** * *-***.** +*]" 1
363 1 29 LEU QB 1 33 MET QG 5.500 4.950 6.050 3.814 2.584 4.567 2.366 3 19 "[**+ *************-**]" 1
364 1 29 LEU QB 1 41 ALA MB 5.500 4.950 6.050 4.581 3.013 5.707 1.937 17 9 "[ * . ** 1- *. +***]" 1
365 1 29 LEU QD 1 30 GLN H 5.500 4.950 6.050 4.014 3.174 4.698 1.776 18 12 "[ ***.-** 1** *. *+ *]" 1
366 1 29 LEU QD 1 30 GLN HA 5.500 4.950 6.050 4.155 2.672 5.261 2.278 7 8 "[ *. +* 1* *. -* *]" 1
367 1 29 LEU QD 1 32 PHE H 5.500 4.950 6.050 5.612 4.912 6.151 0.101 2 0 "[ . 1 . 2]" 1
368 1 29 LEU QD 1 38 VAL H 5.500 4.950 6.050 5.395 4.854 6.133 0.096 11 0 "[ . 1 . 2]" 1
369 1 29 LEU QD 1 38 VAL QG 5.500 4.950 6.050 2.267 1.899 2.825 3.051 11 20 [*-********+*********] 1
370 1 29 LEU QD 1 41 ALA MB 5.500 4.950 6.050 3.427 1.996 5.108 2.954 19 13 "[*** ** ** ** **- +2]" 1
371 1 29 LEU HG 1 30 GLN H 5.500 4.950 6.050 4.702 3.634 5.488 1.316 2 5 "[ +* .* 1 *- . 2]" 1
372 1 29 LEU HG 1 30 GLN HA 5.500 4.950 6.050 5.310 4.810 6.101 0.140 18 0 "[ . 1 . 2]" 1
373 1 29 LEU HG 1 41 ALA MB 5.500 4.950 6.050 5.540 4.354 7.001 0.951 4 4 "[ +. 1* . -*2]" 1
374 1 30 GLN H 1 31 MET H 5.500 4.950 6.050 2.564 2.215 2.880 2.735 19 20 [*************-****+*] 1
375 1 30 GLN H 1 41 ALA MB 5.500 4.950 6.050 6.941 6.070 7.365 1.315 11 18 "[**-*******+***** * *]" 1
376 1 30 GLN HA 1 33 MET H 5.500 4.950 6.050 4.731 3.743 4.973 1.207 9 2 "[ . +1 . -2]" 1
377 1 30 GLN HA 1 33 MET QG 5.500 4.950 6.050 3.875 2.539 4.634 2.411 9 17 "[**-*****+* ***.****2]" 1
378 1 30 GLN QB 1 31 MET H 5.500 4.950 6.050 2.830 2.507 3.335 2.443 12 20 [***********+****-***] 1
379 1 30 GLN QG 1 31 MET H 5.500 4.950 6.050 4.439 4.355 4.559 0.595 14 12 "[** -** ** **+.* * 2]" 1
380 1 30 GLN QG 1 33 MET QG 5.500 4.950 6.050 5.145 3.736 5.757 1.214 9 1 "[ . +1 . 2]" 1
381 1 31 MET H 1 32 PHE H 5.500 4.950 6.050 2.703 2.538 2.818 2.412 9 20 [****-***+***********] 1
382 1 31 MET H 1 32 PHE QB 5.500 4.950 6.050 4.508 4.223 4.847 0.727 14 6 "[ .- 1 * +.* * *]" 1
383 1 31 MET H 1 32 PHE QD 5.500 4.950 6.050 4.422 3.407 4.984 1.543 19 8 "[ * . **1** * - +2]" 1
384 1 31 MET H 1 33 MET H 5.500 4.950 6.050 4.547 3.683 4.806 1.267 9 3 "[ . +1 . * -2]" 1
385 1 31 MET QB 1 32 PHE H 5.500 4.950 6.050 3.043 2.636 3.429 2.314 17 20 [****************+-**] 1
386 1 31 MET QB 1 32 PHE QD 5.500 4.950 6.050 2.873 2.006 3.585 2.944 8 20 [****-**+************] 1
387 1 31 MET QG 1 32 PHE H 5.500 4.950 6.050 4.755 4.510 4.977 0.440 9 0 "[ . 1 . 2]" 1
388 1 31 MET QG 1 78 ILE MG 5.500 4.950 6.050 5.857 5.548 6.162 0.112 15 0 "[ . 1 . 2]" 1
389 1 32 PHE H 1 33 MET H 5.500 4.950 6.050 2.816 2.272 3.101 2.678 15 20 [******-*******+*****] 1
390 1 32 PHE H 1 33 MET ME 5.500 4.950 6.050 6.112 5.656 6.307 0.257 4 0 "[ . 1 . 2]" 1
391 1 32 PHE H 1 58 VAL QG 5.500 4.950 6.050 5.892 5.487 6.406 0.356 14 0 "[ . 1 . 2]" 1
392 1 32 PHE HA 1 35 PHE QD 5.500 4.950 6.050 2.969 2.399 3.463 2.551 8 20 [*******+*-**********] 1
393 1 32 PHE HA 1 35 PHE QE 5.500 4.950 6.050 4.794 4.568 4.930 0.382 8 0 "[ . 1 . 2]" 1
394 1 32 PHE QB 1 33 MET H 5.500 4.950 6.050 3.748 2.975 3.948 1.975 15 20 [***-**********+*****] 1
395 1 32 PHE QB 1 33 MET ME 5.500 4.950 6.050 5.429 5.051 5.748 . 0 0 "[ . 1 . 2]" 1
396 1 32 PHE QB 1 35 PHE QD 5.500 4.950 6.050 4.604 4.038 5.038 0.912 9 4 "[ . *+1 . - *2]" 1
397 1 32 PHE QB 1 38 VAL QG 5.500 4.950 6.050 3.492 2.635 4.010 2.315 17 20 [***********-****+***] 1
398 1 32 PHE QB 1 58 VAL QG 5.500 4.950 6.050 3.981 3.907 4.095 1.043 7 20 [******+******-******] 1
399 1 32 PHE QB 1 60 TYR QE 5.500 4.950 6.050 3.280 2.911 3.805 2.039 12 20 [********-**+********] 1
400 1 32 PHE QD 1 33 MET H 5.500 4.950 6.050 5.001 4.612 5.247 0.338 15 0 "[ . 1 . 2]" 1
401 1 32 PHE QD 1 35 PHE QD 5.500 4.950 6.050 4.054 3.693 4.423 1.257 8 20 [**-****+************] 1
402 1 32 PHE QD 1 38 VAL QG 5.500 4.950 6.050 5.010 4.143 5.559 0.807 17 1 "[ . 1 . + 2]" 1
403 1 32 PHE QD 1 58 VAL QG 5.500 4.950 6.050 4.295 4.130 4.441 0.820 3 20 [**+-****************] 1
404 1 32 PHE QD 1 60 TYR QE 5.500 4.950 6.050 2.673 2.086 3.606 2.864 6 20 [**-**+**************] 1
405 1 32 PHE QD 1 69 ALA MB 5.500 4.950 6.050 3.439 2.580 4.185 2.370 3 20 [**+**********-******] 1
406 1 32 PHE QE 1 58 VAL QG 5.500 4.950 6.050 4.575 4.022 4.884 0.928 19 7 "[ * . **1- * * +2]" 1
407 1 32 PHE QE 1 69 ALA MB 5.500 4.950 6.050 2.208 1.940 2.607 3.010 3 20 [**+**********-******] 1
408 1 32 PHE QE 1 73 MET QB 5.500 4.950 6.050 4.177 3.457 4.978 1.493 4 14 "[**-+** *****.* * *]" 1
409 1 32 PHE QE 1 83 LEU HG 5.500 4.950 6.050 5.359 4.781 6.082 0.169 2 0 "[ . 1 . 2]" 1
410 1 32 PHE QE 1 85 VAL QG 5.500 4.950 6.050 4.391 4.115 4.679 0.835 4 15 "[* *+* ** **-**.****2]" 1
411 1 33 MET H 1 33 MET ME 5.500 4.950 6.050 5.193 4.650 5.501 0.300 15 0 "[ . 1 . 2]" 1
412 1 33 MET H 1 34 PRO QD 5.500 4.950 6.050 2.158 1.877 2.728 3.073 3 20 [**+***********-*****] 1
413 1 33 MET H 1 38 VAL HA 5.500 4.950 6.050 7.982 6.428 8.508 2.458 7 19 [******+*******.*-***] 1
414 1 33 MET H 1 38 VAL QG 5.500 4.950 6.050 4.661 3.120 5.069 1.830 17 2 "[ . 1 - + 2]" 1
415 1 33 MET HA 1 33 MET ME 5.500 4.950 6.050 3.468 2.771 3.875 2.179 12 20 [***********+-*******] 1
416 1 33 MET HA 1 35 PHE H 5.500 4.950 6.050 4.139 3.484 4.587 1.466 8 10 "[ *** + ** * .- * *]" 1
417 1 33 MET HA 1 36 GLY H 5.500 4.950 6.050 3.830 3.326 4.643 1.624 11 18 "[****** * *+****-****]" 1
418 1 33 MET HA 1 38 VAL QG 5.500 4.950 6.050 3.422 2.289 3.921 2.661 17 20 [**********-*****+***] 1
419 1 33 MET ME 1 36 GLY H 5.500 4.950 6.050 5.956 5.113 6.254 0.204 7 0 "[ . 1 . 2]" 1
420 1 33 MET ME 1 37 ASN H 5.500 4.950 6.050 5.873 4.988 6.672 0.622 8 1 "[ . + 1 . 2]" 1
421 1 33 MET ME 1 37 ASN HA 5.500 4.950 6.050 3.640 2.667 4.782 2.283 12 17 "[******* **+**-* ***]" 1
422 1 33 MET QG 1 38 VAL HB 5.500 4.950 6.050 5.363 4.750 5.728 0.200 17 0 "[ . 1 . 2]" 1
423 1 33 MET QG 1 38 VAL QG 5.500 4.950 6.050 2.602 2.132 3.055 2.818 17 20 [********-*******+***] 1
424 1 34 PRO QB 1 35 PHE QE 5.500 4.950 6.050 4.926 4.628 5.465 0.322 11 0 "[ . 1 . 2]" 1
425 1 34 PRO QG 1 35 PHE QE 5.500 4.950 6.050 4.811 4.737 4.904 0.213 8 0 "[ . 1 . 2]" 1
426 1 34 PRO HG2 1 35 PHE QE 5.500 4.950 6.050 4.970 4.891 5.063 0.059 8 0 "[ . 1 . 2]" 1
427 1 34 PRO HG3 1 35 PHE H 5.500 4.950 6.050 4.575 4.303 4.940 0.647 16 8 "[*** .* *1 * .+ -2]" 1
428 1 34 PRO HG3 1 35 PHE QD 5.500 4.950 6.050 6.096 5.994 6.191 0.141 10 0 "[ . 1 . 2]" 1
429 1 34 PRO HG3 1 35 PHE QE 5.500 4.950 6.050 6.417 6.288 6.593 0.543 3 1 "[ + . 1 . 2]" 1
430 1 34 PRO HG3 1 36 GLY H 5.500 4.950 6.050 6.446 6.184 6.730 0.680 8 6 "[ *. *+ * * . - 2]" 1
431 1 35 PHE H 1 35 PHE QD 5.500 4.950 6.050 3.535 3.205 3.852 1.745 3 20 [**+****-************] 1
432 1 35 PHE H 1 35 PHE QE 5.500 4.950 6.050 5.076 4.775 5.474 0.175 3 0 "[ . 1 . 2]" 1
433 1 35 PHE H 1 36 GLY H 5.500 4.950 6.050 2.850 2.171 3.290 2.779 11 20 [********-*+*********] 1
434 1 35 PHE HA 1 68 ALA MB 5.500 4.950 6.050 5.851 5.312 6.129 0.079 10 0 "[ . 1 . 2]" 1
435 1 35 PHE QB 1 36 GLY H 5.500 4.950 6.050 3.829 3.676 4.004 1.274 15 20 [********-*****+*****] 1
436 1 35 PHE QB 1 36 GLY QA 5.500 4.950 6.050 4.008 3.833 4.186 1.117 15 20 [********-*****+*****] 1
437 1 35 PHE QB 1 68 ALA MB 5.500 4.950 6.050 4.870 4.523 5.327 0.427 15 0 "[ . 1 . 2]" 1
438 1 35 PHE QB 1 69 ALA H 5.500 4.950 6.050 4.746 4.487 5.034 0.463 1 0 "[ . 1 . 2]" 1
439 1 35 PHE QB 1 69 ALA MB 5.500 4.950 6.050 2.836 2.527 3.454 2.423 13 20 [************+*-*****] 1
440 1 35 PHE QD 1 36 GLY H 5.500 4.950 6.050 5.137 5.042 5.253 . 0 0 "[ . 1 . 2]" 1
441 1 35 PHE QD 1 60 TYR QE 5.500 4.950 6.050 5.368 5.021 6.081 0.031 9 0 "[ . 1 . 2]" 1
442 1 35 PHE QD 1 68 ALA MB 5.500 4.950 6.050 4.995 4.834 5.286 0.116 8 0 "[ . 1 . 2]" 1
443 1 35 PHE QD 1 69 ALA H 5.500 4.950 6.050 5.827 5.587 6.172 0.122 3 0 "[ . 1 . 2]" 1
444 1 35 PHE QD 1 69 ALA MB 5.500 4.950 6.050 3.425 3.055 4.183 1.895 6 20 [**-**+**************] 1
445 1 35 PHE QD 1 72 ALA MB 5.500 4.950 6.050 5.133 4.706 5.806 0.244 18 0 "[ . 1 . 2]" 1
446 1 35 PHE QE 1 68 ALA MB 5.500 4.950 6.050 5.614 5.291 5.993 . 0 0 "[ . 1 . 2]" 1
447 1 35 PHE QE 1 69 ALA HA 5.500 4.950 6.050 4.929 4.778 5.170 0.172 1 0 "[ . 1 . 2]" 1
448 1 35 PHE QE 1 72 ALA HA 5.500 4.950 6.050 7.009 6.463 7.849 1.799 11 19 "[*** ******+*-*******]" 1
449 1 35 PHE QE 1 72 ALA MB 5.500 4.950 6.050 4.114 3.682 4.807 1.268 4 15 "[***+** -* ***.*** *]" 1
450 1 35 PHE QE 1 73 MET QB 5.500 4.950 6.050 5.696 4.973 6.280 0.230 20 0 "[ . 1 . 2]" 1
451 1 36 GLY H 1 37 ASN H 5.500 4.950 6.050 4.625 4.526 4.727 0.424 1 0 "[ . 1 . 2]" 1
452 1 36 GLY H 1 37 ASN HA 5.500 4.950 6.050 5.223 4.891 5.846 0.059 12 0 "[ . 1 . 2]" 1
453 1 36 GLY H 1 38 VAL QG 5.500 4.950 6.050 5.795 4.654 6.193 0.296 17 0 "[ . 1 . 2]" 1
454 1 36 GLY H 1 60 TYR QB 5.500 4.950 6.050 8.183 7.875 8.646 2.596 9 20 [********+****-******] 1
455 1 36 GLY H 1 60 TYR QE 5.500 4.950 6.050 4.884 4.680 5.297 0.270 12 0 "[ . 1 . 2]" 1
456 1 36 GLY QA 1 37 ASN H 5.500 4.950 6.050 2.450 2.345 2.492 2.605 9 20 [********+********-**] 1
457 1 36 GLY QA 1 37 ASN HA 5.500 4.950 6.050 4.142 4.056 4.211 0.894 20 20 [****************-**+] 1
458 1 36 GLY QA 1 37 ASN QB 5.500 4.950 6.050 3.988 3.905 4.064 1.045 13 20 [************+***-***] 1
459 1 36 GLY QA 1 60 TYR QD 5.500 4.950 6.050 4.379 3.860 4.806 1.090 12 13 "[** ***- * +**.* * *]" 1
460 1 36 GLY QA 1 60 TYR QE 5.500 4.950 6.050 3.287 2.898 3.551 2.052 3 20 [**+***-*************] 1
461 1 37 ASN H 1 37 ASN QD 5.500 4.950 6.050 4.456 4.212 4.753 0.738 4 11 "[* +** * ** -*. * *2]" 1
462 1 37 ASN H 1 38 VAL H 5.500 4.950 6.050 4.806 4.529 4.896 0.421 17 0 "[ . 1 . 2]" 1
463 1 37 ASN H 1 38 VAL QG 5.500 4.950 6.050 5.450 5.017 5.672 . 0 0 "[ . 1 . 2]" 1
464 1 37 ASN H 1 60 TYR QD 5.500 4.950 6.050 4.820 4.650 5.184 0.300 4 0 "[ . 1 . 2]" 1
465 1 37 ASN H 1 60 TYR QE 5.500 4.950 6.050 4.597 3.410 5.217 1.540 9 7 "[ * . *+1* * * -2]" 1
466 1 37 ASN H 1 61 ASP H 5.500 4.950 6.050 4.124 3.186 5.512 1.764 4 13 "[** +**- * ***.* * *]" 1
467 1 37 ASN H 1 65 SER QB 5.500 4.950 6.050 5.226 4.746 5.960 0.204 6 0 "[ . 1 . 2]" 1
468 1 37 ASN HA 1 38 VAL H 5.500 4.950 6.050 2.480 2.294 2.651 2.656 3 20 [**+*************-***] 1
469 1 37 ASN HA 1 38 VAL QG 5.500 4.950 6.050 3.963 3.526 4.296 1.424 7 20 [******+*********-***] 1
470 1 37 ASN HA 1 60 TYR QD 5.500 4.950 6.050 6.001 5.324 6.398 0.348 19 0 "[ . 1 . 2]" 1
471 1 37 ASN HA 1 61 ASP H 5.040 4.540 5.540 5.613 4.950 6.150 0.610 19 1 "[ . 1 . +2]" 1
472 1 37 ASN QB 1 38 VAL H 5.500 4.950 6.050 3.901 3.614 4.301 1.336 20 20 [****************-**+] 1
473 1 37 ASN QB 1 38 VAL HA 5.500 4.950 6.050 4.791 4.679 5.046 0.271 17 0 "[ . 1 . 2]" 1
474 1 37 ASN QB 1 38 VAL QG 5.500 4.950 6.050 4.806 4.573 5.112 0.377 18 0 "[ . 1 . 2]" 1
475 1 37 ASN QB 1 61 ASP H 5.500 4.950 6.050 3.036 2.344 3.697 2.606 14 20 [******-******+******] 1
476 1 37 ASN QD 1 38 VAL H 5.500 4.950 6.050 4.269 3.675 4.981 1.275 4 16 "[ **+**** * ***.**-**]" 1
477 1 37 ASN QD 1 39 ILE MG 5.500 4.950 6.050 4.478 1.999 5.176 2.951 17 4 "[ . 1 * .*+ -]" 1
478 1 38 VAL H 1 39 ILE H 5.500 4.950 6.050 4.748 4.607 4.807 0.343 17 0 "[ . 1 . 2]" 1
479 1 38 VAL H 1 39 ILE MD 5.500 4.950 6.050 6.140 4.915 6.983 0.933 4 2 "[ +- 1 . 2]" 1
480 1 38 VAL H 1 39 ILE MG 5.500 4.950 6.050 5.894 4.760 6.286 0.236 15 0 "[ . 1 . 2]" 1
481 1 38 VAL HA 1 39 ILE H 5.500 4.950 6.050 2.465 2.351 2.573 2.599 17 20 [**************-*+***] 1
482 1 38 VAL HA 1 39 ILE HA 5.500 4.950 6.050 4.516 4.471 4.572 0.479 7 0 "[ . 1 . 2]" 1
483 1 38 VAL HA 1 58 VAL QG 5.500 4.950 6.050 3.678 3.320 4.172 1.630 9 20 [********+*****-*****] 1
484 1 38 VAL HA 1 60 TYR HA 5.500 4.950 6.050 4.308 3.798 4.704 1.152 7 13 "[ **. +* 1* *******-]" 1
485 1 38 VAL HA 1 60 TYR QD 5.500 4.950 6.050 4.337 3.094 5.010 1.856 7 9 "[* *.-+ * *.* * *]" 1
486 1 38 VAL HA 1 60 TYR QE 5.500 4.950 6.050 5.438 4.423 6.058 0.527 7 1 "[ . + 1 . 2]" 1
487 1 38 VAL HA 1 61 ASP H 5.500 4.950 6.050 5.629 4.830 6.127 0.120 3 0 "[ . 1 . 2]" 1
488 1 38 VAL HB 1 41 ALA MB 5.500 4.950 6.050 4.815 2.851 5.135 2.099 19 1 "[ . 1 . +2]" 1
489 1 38 VAL HB 1 58 VAL QG 5.500 4.950 6.050 3.670 3.327 3.881 1.623 3 20 [**+************-****] 1
490 1 38 VAL QG 1 39 ILE H 5.500 4.950 6.050 3.377 2.876 3.573 2.074 17 20 [****-***********+***] 1
491 1 38 VAL QG 1 40 SER H 5.500 4.950 6.050 4.411 2.759 4.636 2.191 17 5 "[ * * 1* - + 2]" 1
492 1 38 VAL QG 1 41 ALA H 5.500 4.950 6.050 5.260 4.593 6.011 0.357 19 0 "[ . 1 . 2]" 1
493 1 38 VAL QG 1 41 ALA MB 5.500 4.950 6.050 4.219 2.687 4.732 2.263 19 12 "[ ** * * -* * *** +*]" 1
494 1 38 VAL QG 1 58 VAL HB 5.500 4.950 6.050 5.675 4.686 6.116 0.264 17 0 "[ . 1 . 2]" 1
495 1 38 VAL QG 1 58 VAL QG 5.500 4.950 6.050 3.386 2.614 3.727 2.336 17 20 [****************+-**] 1
496 1 38 VAL QG 1 59 SER H 5.500 4.950 6.050 5.219 4.914 5.557 0.036 11 0 "[ . 1 . 2]" 1
497 1 38 VAL QG 1 60 TYR HA 5.500 4.950 6.050 5.479 5.013 5.771 . 0 0 "[ . 1 . 2]" 1
498 1 38 VAL QG 1 60 TYR QD 5.500 4.950 6.050 4.737 3.660 5.133 1.290 7 1 "[ . + 1 . 2]" 1
499 1 38 VAL QG 1 60 TYR QE 5.500 4.950 6.050 4.871 3.443 5.524 1.507 7 1 "[ . + 1 . 2]" 1
500 1 39 ILE H 1 39 ILE MD 5.500 4.950 6.050 4.395 3.648 4.675 1.302 19 5 "[ * . * 1 - * +2]" 1
501 1 39 ILE H 1 40 SER H 5.500 4.950 6.050 2.429 2.131 2.662 2.819 3 20 [**+***************-*] 1
502 1 39 ILE H 1 60 TYR HA 5.500 4.950 6.050 4.780 4.526 5.151 0.424 19 0 "[ . 1 . 2]" 1
503 1 39 ILE H 1 61 ASP H 5.500 4.950 6.050 6.188 5.573 6.366 0.316 9 0 "[ . 1 . 2]" 1
504 1 39 ILE HB 1 40 SER H 5.500 4.950 6.050 3.020 2.485 4.040 2.465 19 20 [****************-*+*] 1
505 1 39 ILE MD 1 40 SER H 5.500 4.950 6.050 4.936 4.800 5.285 0.150 19 0 "[ . 1 . 2]" 1
506 1 39 ILE MD 1 61 ASP H 5.500 4.950 6.050 4.044 2.630 4.883 2.320 8 14 "[*** .* +**** *-***2]" 1
507 1 39 ILE MD 1 61 ASP HA 5.500 4.950 6.050 3.581 3.149 4.473 1.801 1 19 "[+***-*********** ***]" 1
508 1 39 ILE MD 1 61 ASP QB 5.500 4.950 6.050 5.021 4.573 5.704 0.377 1 0 "[ . 1 . 2]" 1
509 1 39 ILE QG 1 40 SER H 5.500 4.950 6.050 3.713 3.234 4.207 1.716 17 20 [**********-*****+***] 1
510 1 39 ILE QG 1 61 ASP H 5.500 4.950 6.050 4.217 3.631 4.913 1.319 3 14 "[**+ .* ***** ** **-]" 1
511 1 39 ILE MG 1 40 SER H 5.500 4.950 6.050 4.170 3.778 4.641 1.172 15 18 "[****.*********+* **-]" 1
512 1 39 ILE MG 1 40 SER HA 5.500 4.950 6.050 4.849 4.525 5.654 0.425 11 0 "[ . 1 . 2]" 1
513 1 39 ILE MG 1 40 SER QB 5.500 4.950 6.050 4.553 4.311 4.775 0.639 15 4 "[* . -1 + *2]" 1
514 1 39 ILE MG 1 61 ASP H 5.500 4.950 6.050 6.203 5.476 6.449 0.399 20 0 "[ . 1 . 2]" 1
515 1 39 ILE MG 1 61 ASP HA 5.500 4.950 6.050 6.110 5.797 6.521 0.471 9 0 "[ . 1 . 2]" 1
516 1 40 SER H 1 41 ALA H 5.500 4.950 6.050 4.594 4.273 4.707 0.677 17 1 "[ . 1 . + 2]" 1
517 1 40 SER H 1 41 ALA MB 5.500 4.950 6.050 4.684 3.391 4.999 1.559 17 1 "[ . 1 . + 2]" 1
518 1 40 SER H 1 58 VAL QG 5.500 4.950 6.050 3.542 2.958 4.308 1.992 14 20 [*************+****-*] 1
519 1 40 SER H 1 59 SER H 5.500 4.950 6.050 3.098 2.701 4.764 2.249 18 19 "[**************** +-*]" 1
520 1 40 SER H 1 60 TYR HA 5.500 4.950 6.050 6.511 6.272 7.165 1.115 17 3 "[ * . 1 - . + 2]" 1
521 1 40 SER HA 1 41 ALA H 5.500 4.950 6.050 2.529 2.461 2.604 2.489 3 20 [**+*******-*********] 1
522 1 40 SER HA 1 41 ALA HA 5.500 4.950 6.050 4.641 4.566 4.706 0.384 3 0 "[ . 1 . 2]" 1
523 1 40 SER HA 1 41 ALA MB 5.500 4.950 6.050 4.243 3.639 4.546 1.311 11 15 "[- * .*****+ *******]" 1
524 1 40 SER QB 1 41 ALA H 5.500 4.950 6.050 3.228 2.186 3.915 2.764 11 20 [**********+*****-***] 1
525 1 40 SER QB 1 42 LYS H 5.500 4.950 6.050 5.349 4.913 5.995 0.037 11 0 "[ . 1 . 2]" 1
526 1 40 SER QB 1 59 SER H 5.500 4.950 6.050 4.605 4.403 4.840 0.547 20 1 "[ . 1 . +]" 1
527 1 41 ALA H 1 42 LYS H 5.500 4.950 6.050 4.414 3.946 4.562 1.004 19 6 "[ **. 1* - . * +2]" 1
528 1 41 ALA H 1 42 LYS QB 5.500 4.950 6.050 5.285 4.804 5.627 0.146 11 0 "[ . 1 . 2]" 1
529 1 41 ALA HA 1 42 LYS H 5.500 4.950 6.050 2.143 1.995 2.454 2.955 4 20 [***+**************-*] 1
530 1 41 ALA HA 1 58 VAL HA 5.500 4.950 6.050 4.261 3.440 5.271 1.510 18 15 "[** ** **- ***** +**]" 1
531 1 41 ALA HA 1 58 VAL QG 5.500 4.950 6.050 4.064 2.731 4.486 2.219 19 17 "[*-* ** *** *******+*]" 1
532 1 41 ALA MB 1 42 LYS H 5.500 4.950 6.050 2.723 2.220 3.642 2.730 13 20 [************+*****-*] 1
533 1 41 ALA MB 1 42 LYS HA 5.500 4.950 6.050 3.701 3.486 4.019 1.464 8 20 [*******+**********-*] 1
534 1 41 ALA MB 1 58 VAL H 5.500 4.950 6.050 6.198 5.004 8.565 2.515 3 7 "[ + . 1* **- **]" 1
535 1 41 ALA MB 1 58 VAL HA 5.500 4.950 6.050 4.280 3.177 6.281 1.773 4 12 "[** +**-*** ** . * 2]" 1
536 1 41 ALA MB 1 58 VAL QG 5.500 4.950 6.050 3.087 2.547 4.611 2.403 18 18 "[** ******* ******+*-]" 1
537 1 41 ALA MB 1 59 SER H 5.500 4.950 6.050 5.034 4.405 6.300 0.545 13 1 "[ . 1 + . 2]" 1
538 1 42 LYS H 1 43 VAL H 5.500 4.950 6.050 4.360 4.103 4.576 0.847 14 13 "[* **** *-* *+.* * *]" 1
539 1 42 LYS H 1 57 PHE H 5.500 4.950 6.050 4.239 3.390 5.423 1.560 12 11 "[** ** ** + *. **-]" 1
540 1 42 LYS H 1 57 PHE QD 5.500 4.950 6.050 5.050 4.721 5.905 0.229 2 0 "[ . 1 . 2]" 1
541 1 42 LYS H 1 58 VAL QG 5.500 4.950 6.050 5.143 4.501 5.530 0.449 19 0 "[ . 1 . 2]" 1
542 1 42 LYS HA 1 43 VAL H 5.500 4.950 6.050 2.392 2.236 2.510 2.714 6 20 [*****+*****-********] 1
543 1 42 LYS HA 1 43 VAL HB 5.500 4.950 6.050 5.839 5.498 6.118 0.068 12 0 "[ . 1 . 2]" 1
544 1 42 LYS HA 1 43 VAL QG 5.500 4.950 6.050 3.745 3.438 4.062 1.512 10 20 [**-******+**********] 1
545 1 42 LYS QB 1 43 VAL H 5.500 4.950 6.050 3.107 2.884 3.433 2.066 17 20 [**********-*****+***] 1
546 1 42 LYS QB 1 44 PHE QB 5.500 4.950 6.050 4.754 4.412 5.485 0.538 3 1 "[ + . 1 . 2]" 1
547 1 42 LYS QB 1 57 PHE H 5.500 4.950 6.050 6.117 5.547 6.500 0.450 4 0 "[ . 1 . 2]" 1
548 1 42 LYS QD 1 43 VAL H 5.500 4.950 6.050 5.529 4.736 5.900 0.214 12 0 "[ . 1 . 2]" 1
549 1 42 LYS QE 1 43 VAL H 5.500 4.950 6.050 4.856 4.582 5.175 0.368 15 0 "[ . 1 . 2]" 1
550 1 42 LYS QE 1 43 VAL QG 5.500 4.950 6.050 5.394 5.000 5.663 . 0 0 "[ . 1 . 2]" 1
551 1 42 LYS QE 1 44 PHE H 5.500 4.950 6.050 4.670 2.924 5.302 2.026 11 2 "[ . 1+ . -]" 1
552 1 42 LYS QE 1 44 PHE QB 5.500 4.950 6.050 3.925 3.047 5.213 1.903 11 16 "[** **** **+* ** -***]" 1
553 1 42 LYS QE 1 44 PHE QD 5.500 4.950 6.050 4.292 2.136 5.884 2.814 11 8 "[ .* - 1+ *.* ***]" 1
554 1 42 LYS QE 1 45 ILE H 5.500 4.950 6.050 6.045 5.361 6.382 0.332 6 0 "[ . 1 . 2]" 1
555 1 42 LYS QE 1 57 PHE QD 5.500 4.950 6.050 5.510 3.954 6.493 0.996 20 1 "[ . 1 . +]" 1
556 1 42 LYS QG 1 43 VAL H 5.500 4.950 6.050 4.607 4.428 4.902 0.522 10 1 "[ . + . 2]" 1
557 1 42 LYS QG 1 44 PHE H 5.500 4.950 6.050 5.174 4.595 5.835 0.355 3 0 "[ . 1 . 2]" 1
558 1 42 LYS QG 1 57 PHE H 5.500 4.950 6.050 5.063 4.545 5.836 0.405 14 0 "[ . 1 . 2]" 1
559 1 43 VAL H 1 44 PHE QD 5.500 4.950 6.050 6.036 4.905 6.262 0.212 13 0 "[ . 1 . 2]" 1
560 1 43 VAL HA 1 57 PHE H 5.500 4.950 6.050 4.720 4.426 5.001 0.524 11 1 "[ . 1+ . 2]" 1
561 1 43 VAL HB 1 44 PHE H 5.500 4.950 6.050 3.835 3.508 4.166 1.442 19 20 [**********-*******+*] 1
562 1 43 VAL HB 1 44 PHE QB 5.500 4.950 6.050 5.359 4.722 5.611 0.228 8 0 "[ . 1 . 2]" 1
563 1 43 VAL QG 1 44 PHE H 5.500 4.950 6.050 3.504 3.012 4.092 1.938 16 20 [**********-****+****] 1
564 1 43 VAL QG 1 44 PHE HA 5.500 4.950 6.050 4.413 4.190 4.563 0.760 11 13 "[* *** *+** *-* **]" 1
565 1 43 VAL QG 1 47 LYS QG 5.500 4.950 6.050 5.145 4.682 5.859 0.268 20 0 "[ . 1 . 2]" 1
566 1 43 VAL QG 1 55 PHE HA 5.500 4.950 6.050 4.815 3.528 5.994 1.422 19 5 "[ . *1 - *. * +2]" 1
567 1 43 VAL QG 1 57 PHE H 5.500 4.950 6.050 4.748 4.582 5.127 0.368 7 0 "[ . 1 . 2]" 1
568 1 44 PHE H 1 45 ILE MG 5.500 4.950 6.050 5.712 4.703 6.383 0.333 7 0 "[ . 1 . 2]" 1
569 1 44 PHE H 1 57 PHE QD 5.500 4.950 6.050 5.795 4.795 6.386 0.336 11 0 "[ . 1 . 2]" 1
570 1 44 PHE HA 1 45 ILE H 5.500 4.950 6.050 2.115 2.024 2.320 2.926 20 20 [******************-+] 1
571 1 44 PHE QB 1 45 ILE H 5.500 4.950 6.050 3.693 3.520 4.083 1.430 7 20 [******+***********-*] 1
572 1 44 PHE QB 1 45 ILE HB 5.500 4.950 6.050 5.847 5.068 6.323 0.273 17 0 "[ . 1 . 2]" 1
573 1 45 ILE H 1 45 ILE MD 5.500 4.950 6.050 4.321 3.688 4.980 1.262 5 12 "[****+* ***- * * 2]" 1
574 1 45 ILE H 1 46 ASP H 5.500 4.950 6.050 4.321 4.003 4.597 0.947 14 15 "[****-** * *+.*****]" 1
575 1 45 ILE HA 1 46 ASP H 5.500 4.950 6.050 2.367 2.104 2.532 2.846 3 20 [**+****-************] 1
576 1 45 ILE HA 1 50 ASN HA 5.500 4.950 6.050 6.061 5.670 6.286 0.236 3 0 "[ . 1 . 2]" 1
577 1 45 ILE HB 1 46 ASP H 5.500 4.950 6.050 4.349 3.633 4.690 1.317 3 10 "[*-+ ** *** * * 2]" 1
578 1 45 ILE HB 1 50 ASN H 5.500 4.950 6.050 6.404 5.683 7.208 1.158 20 2 "[ . -1 . +]" 1
579 1 45 ILE MG 1 46 ASP H 5.500 4.950 6.050 3.560 2.726 4.563 2.224 11 17 "[******* **+** * **-*]" 1
580 1 45 ILE MG 1 50 ASN H 5.500 4.950 6.050 5.009 3.974 6.317 0.976 7 1 "[ . + 1 . 2]" 1
581 1 45 ILE MG 1 50 ASN HA 5.500 4.950 6.050 3.860 2.564 5.106 2.386 7 13 "[** **-+ **** * * *]" 1
582 1 46 ASP H 1 47 LYS QD 5.500 4.950 6.050 5.331 5.031 5.889 . 0 0 "[ . 1 . 2]" 1
583 1 46 ASP H 1 47 LYS QG 5.500 4.950 6.050 5.640 5.320 6.133 0.083 19 0 "[ . 1 . 2]" 1
584 1 46 ASP H 1 51 LEU H 5.500 4.950 6.050 4.933 4.780 5.278 0.170 20 0 "[ . 1 . 2]" 1
585 1 46 ASP H 1 51 LEU QB 5.500 4.950 6.050 5.192 3.904 6.066 1.046 18 6 "[ *- . *1 * . + *]" 1
586 1 46 ASP H 1 51 LEU HG 5.500 4.950 6.050 5.342 3.813 7.332 1.282 10 4 "[ *-. + .* 2]" 1
587 1 46 ASP HA 1 47 LYS H 5.500 4.950 6.050 2.299 2.108 2.385 2.842 12 20 [***********+**-*****] 1
588 1 46 ASP HA 1 47 LYS QB 5.500 4.950 6.050 4.692 4.595 4.780 0.355 9 0 "[ . 1 . 2]" 1
589 1 46 ASP HA 1 47 LYS QE 5.500 4.950 6.050 5.169 4.720 6.276 0.230 12 0 "[ . 1 . 2]" 1
590 1 46 ASP HA 1 49 THR H 5.500 4.950 6.050 5.960 4.920 6.496 0.446 12 0 "[ . 1 . 2]" 1
591 1 46 ASP QB 1 47 LYS H 5.500 4.950 6.050 3.915 3.672 4.127 1.278 8 20 [*******+******-*****] 1
592 1 46 ASP QB 1 47 LYS QD 5.500 4.950 6.050 5.186 4.821 5.830 0.129 18 0 "[ . 1 . 2]" 1
593 1 46 ASP QB 1 48 GLN H 5.500 4.950 6.050 3.771 3.345 4.418 1.605 12 20 [***********+****-***] 1
594 1 46 ASP QB 1 49 THR H 5.500 4.950 6.050 4.465 3.250 4.956 1.700 6 5 "[* .+ 1 -. * *2]" 1
595 1 46 ASP QB 1 51 LEU H 5.500 4.950 6.050 3.893 2.978 4.871 1.972 5 14 "[****+* -**** * * *]" 1
596 1 46 ASP QB 1 51 LEU QB 5.500 4.950 6.050 3.819 2.102 5.185 2.848 20 13 "[ ** ** ***** * -* +]" 1
597 1 46 ASP QB 1 51 LEU HG 5.500 4.950 6.050 3.781 2.246 5.331 2.704 5 15 "[** *+***-1* * **** *]" 1
598 1 47 LYS H 1 48 GLN H 5.500 4.950 6.050 2.948 2.686 3.259 2.264 5 20 [****+************-**] 1
599 1 47 LYS H 1 48 GLN QG 5.500 4.950 6.050 4.642 3.840 5.709 1.110 15 6 "[ *-*. * 1 + *]" 1
600 1 47 LYS H 1 49 THR H 5.500 4.950 6.050 5.426 4.652 5.927 0.298 19 0 "[ . 1 . 2]" 1
601 1 47 LYS HA 1 49 THR H 5.500 4.950 6.050 4.539 3.492 4.852 1.458 14 4 "[- *. 1 +. *2]" 1
602 1 47 LYS QB 1 48 GLN H 5.500 4.950 6.050 3.413 2.897 3.636 2.053 17 20 [***-************+***] 1
603 1 47 LYS QB 1 48 GLN QG 5.500 4.950 6.050 4.470 3.415 5.245 1.535 6 5 "[ .+ 1 -*. * *2]" 1
604 1 47 LYS QG 1 48 GLN H 5.500 4.950 6.050 4.811 4.682 4.943 0.268 3 0 "[ . 1 . 2]" 1
605 1 47 LYS QG 1 48 GLN HA 5.500 4.950 6.050 5.951 5.611 6.134 0.084 8 0 "[ . 1 . 2]" 1
606 1 48 GLN H 1 49 THR H 5.500 4.950 6.050 3.067 2.449 3.446 2.501 6 20 [*****+*-************] 1
607 1 48 GLN H 1 50 ASN H 5.500 4.950 6.050 4.127 3.251 4.771 1.699 5 13 "[****+** * ** *- *]" 1
608 1 48 GLN HA 1 51 LEU H 5.500 4.950 6.050 6.822 6.209 8.110 2.060 14 6 "[* .* 1 +. *-*2]" 1
609 1 48 GLN QB 1 49 THR H 5.500 4.950 6.050 2.763 2.248 4.108 2.702 10 20 [-********+**********] 1
610 1 48 GLN QG 1 49 THR H 5.500 4.950 6.050 4.244 3.384 5.126 1.566 1 16 "[+**** ****-** ** * *]" 1
611 1 49 THR H 1 50 ASN H 5.500 4.950 6.050 2.282 1.782 2.625 3.168 1 20 [+*********-*********] 1
612 1 49 THR H 1 51 LEU QD 5.500 4.950 6.050 4.835 3.800 6.219 1.150 9 7 "[ * . *+1-* .* *]" 1
613 1 49 THR HA 1 50 ASN H 5.500 4.950 6.050 3.278 3.082 3.637 1.868 20 20 [*****-*************+] 1
614 1 49 THR HA 1 50 ASN QB 5.500 4.950 6.050 4.302 3.888 5.113 1.062 7 16 "[******+* *-** **** 2]" 1
615 1 49 THR HA 1 51 LEU H 5.500 4.950 6.050 5.197 4.907 5.728 0.043 16 0 "[ . 1 . 2]" 1
616 1 49 THR HA 1 51 LEU QD 5.500 4.950 6.050 6.095 5.643 6.476 0.426 5 0 "[ . 1 . 2]" 1
617 1 49 THR HB 1 50 ASN H 5.500 4.950 6.050 4.156 3.030 4.557 1.920 1 7 "[+ ** 1 *- * *2]" 1
618 1 49 THR HB 1 51 LEU H 5.500 4.950 6.050 4.859 3.533 5.791 1.417 1 3 "[+ .* 1- . 2]" 1
619 1 49 THR HB 1 51 LEU QD 5.500 4.950 6.050 4.866 4.228 5.127 0.722 1 1 "[+ . 1 . 2]" 1
620 1 49 THR HB 1 51 LEU HG 5.500 4.950 6.050 5.707 4.914 6.305 0.255 11 0 "[ . 1 . 2]" 1
621 1 49 THR MG 1 51 LEU QD 5.500 4.950 6.050 4.475 2.666 5.582 2.284 14 5 "[- .* 1 +. * *2]" 1
622 1 50 ASN H 1 51 LEU H 5.500 4.950 6.050 2.848 2.532 3.180 2.418 16 20 [**********-****+****] 1
623 1 50 ASN H 1 51 LEU QB 5.500 4.950 6.050 4.796 4.445 5.238 0.505 3 1 "[ + . 1 . 2]" 1
624 1 50 ASN H 1 51 LEU QD 5.500 4.950 6.050 5.289 4.781 5.955 0.169 12 0 "[ . 1 . 2]" 1
625 1 50 ASN HA 1 51 LEU H 5.500 4.950 6.050 2.560 2.324 2.931 2.626 18 20 [******-**********+**] 1
626 1 50 ASN HA 1 51 LEU QB 5.500 4.950 6.050 4.752 4.434 5.225 0.516 18 1 "[ . 1 . + 2]" 1
627 1 50 ASN HA 1 51 LEU QD 5.500 4.950 6.050 5.324 5.058 5.644 . 0 0 "[ . 1 . 2]" 1
628 1 50 ASN HA 1 51 LEU HG 5.500 4.950 6.050 5.546 5.001 6.120 0.070 11 0 "[ . 1 . 2]" 1
629 1 51 LEU H 1 51 LEU QD 5.500 4.950 6.050 3.577 3.326 3.894 1.624 12 20 [**********-+********] 1
630 1 51 LEU H 1 51 LEU HG 5.500 4.950 6.050 3.154 2.605 3.879 2.345 12 20 [***********+*****-**] 1
631 1 51 LEU H 1 52 SER H 5.500 4.950 6.050 4.753 4.628 4.826 0.322 16 0 "[ . 1 . 2]" 1
632 1 51 LEU HA 1 52 SER H 5.500 4.950 6.050 2.444 2.367 2.565 2.583 4 20 [***+************-***] 1
633 1 51 LEU HA 1 52 SER QB 5.500 4.950 6.050 4.663 4.325 4.852 0.625 20 5 "[ * . 1 * . -* +]" 1
634 1 51 LEU QB 1 52 SER H 5.500 4.950 6.050 3.383 2.537 3.905 2.413 9 20 [********+*-*********] 1
635 1 51 LEU QD 1 52 SER H 5.500 4.950 6.050 3.386 2.695 4.394 2.255 18 20 [*******-*********+**] 1
636 1 51 LEU HG 1 52 SER H 5.500 4.950 6.050 5.087 4.748 5.863 0.202 11 0 "[ . 1 . 2]" 1
637 1 52 SER H 1 53 LYS H 5.500 4.950 6.050 4.614 4.513 4.757 0.437 10 0 "[ . 1 . 2]" 1
638 1 52 SER HA 1 53 LYS H 5.500 4.950 6.050 2.244 2.111 2.544 2.839 5 20 [****+*****-*********] 1
639 1 52 SER HA 1 95 LYS HA 5.500 4.950 6.050 6.069 4.986 6.420 0.370 8 0 "[ . 1 . 2]" 1
640 1 53 LYS H 1 54 CYS H 5.500 4.950 6.050 2.982 2.071 4.591 2.879 3 18 "[**+*****-* ****** **]" 1
641 1 53 LYS HA 1 96 PRO QB 5.500 4.950 6.050 5.407 4.771 6.039 0.179 20 0 "[ . 1 . 2]" 1
642 1 53 LYS QB 1 54 CYS QB 5.500 4.950 6.050 4.531 4.044 5.116 0.906 6 6 "[* *+ ** . - 2]" 1
643 1 53 LYS QB 1 96 PRO QD 5.500 4.950 6.050 4.146 2.337 4.986 2.613 8 13 "[* **. *+*1***-** *]" 1
644 1 55 PHE H 1 55 PHE QD 5.500 4.950 6.050 4.156 2.816 4.600 2.134 18 13 "[** *- *** *.**+**]" 1
645 1 55 PHE HA 1 56 GLY H 5.500 4.950 6.050 2.243 2.064 2.598 2.886 19 20 [****************-*+*] 1
646 1 55 PHE QB 1 56 GLY H 5.500 4.950 6.050 3.573 2.644 4.022 2.306 11 20 [**********+-********] 1
647 1 55 PHE QB 1 56 GLY QA 5.500 4.950 6.050 4.345 4.102 4.636 0.848 11 17 "[*******-**+****** 2]" 1
648 1 55 PHE QD 1 56 GLY H 5.500 4.950 6.050 3.295 2.179 4.077 2.771 17 20 [**********-*****+***] 1
649 1 56 GLY H 1 57 PHE H 5.500 4.950 6.050 4.643 4.567 4.714 0.383 15 0 "[ . 1 . 2]" 1
650 1 56 GLY QA 1 57 PHE QB 5.500 4.950 6.050 4.094 3.726 4.463 1.224 13 19 [**********-*+*.*****] 1
651 1 56 GLY QA 1 57 PHE QD 5.500 4.950 6.050 4.278 3.730 4.720 1.220 14 16 "[** ***- **** +*****2]" 1
652 1 57 PHE H 1 57 PHE QD 5.500 4.950 6.050 3.651 3.094 4.048 1.856 3 20 [**+********-********] 1
653 1 57 PHE H 1 57 PHE QE 5.500 4.950 6.050 5.047 4.617 5.495 0.333 11 0 "[ . 1 . 2]" 1
654 1 57 PHE H 1 58 VAL H 5.500 4.950 6.050 4.603 4.509 4.705 0.441 12 0 "[ . 1 . 2]" 1
655 1 57 PHE H 1 58 VAL QG 5.500 4.950 6.050 4.289 3.433 4.630 1.517 12 14 "[** **** ** +- .*** *]" 1
656 1 57 PHE HA 1 58 VAL H 5.500 4.950 6.050 2.624 2.534 2.712 2.416 12 20 [*******-***+********] 1
657 1 57 PHE QB 1 58 VAL H 5.500 4.950 6.050 3.003 2.409 3.479 2.541 18 20 [************-****+**] 1
658 1 57 PHE QB 1 58 VAL HB 5.500 4.950 6.050 5.338 4.969 5.660 . 0 0 "[ . 1 . 2]" 1
659 1 57 PHE QB 1 85 VAL QG 5.500 4.950 6.050 6.543 5.840 7.401 1.351 7 12 "[* ****+* * *-.** 2]" 1
660 1 57 PHE QD 1 58 VAL H 5.500 4.950 6.050 3.490 2.741 4.693 2.209 13 18 "[********** *+*.***-*]" 1
661 1 58 VAL H 1 59 SER H 5.500 4.950 6.050 4.615 4.560 4.682 0.390 12 0 "[ . 1 . 2]" 1
662 1 58 VAL HA 1 59 SER H 5.500 4.950 6.050 2.533 2.392 2.629 2.558 7 20 [***-**+*************] 1
663 1 58 VAL HB 1 59 SER H 5.500 4.950 6.050 3.908 3.704 4.021 1.246 9 20 [********+***-*******] 1
664 1 58 VAL QG 1 59 SER H 5.500 4.950 6.050 2.141 1.809 2.422 3.141 3 20 [**+*-***************] 1
665 1 58 VAL QG 1 60 TYR H 5.500 4.950 6.050 4.480 4.248 4.670 0.702 17 8 "[ * . *-1* ** + *2]" 1
666 1 58 VAL QG 1 60 TYR QD 5.500 4.950 6.050 3.756 3.398 4.204 1.552 20 20 [**-****************+] 1
667 1 58 VAL QG 1 60 TYR QE 5.500 4.950 6.050 4.828 4.311 5.594 0.639 20 7 "[* .*- * *.* +]" 1
668 1 58 VAL QG 1 66 ALA MB 5.500 4.950 6.050 6.528 5.077 7.961 1.911 7 9 "[* *-*+ * * .* *]" 1
669 1 58 VAL QG 1 69 ALA MB 5.500 4.950 6.050 5.625 5.019 5.948 . 0 0 "[ . 1 . 2]" 1
670 1 59 SER HA 1 60 TYR H 5.500 4.950 6.050 2.378 2.306 2.524 2.644 12 20 [**-********+********] 1
671 1 59 SER QB 1 60 TYR H 5.500 4.950 6.050 3.910 3.531 4.175 1.419 2 20 [*+-*****************] 1
672 1 60 TYR H 1 60 TYR QD 5.500 4.950 6.050 4.352 4.198 4.585 0.752 4 15 "[** +**** * ***.*-* *]" 1
673 1 60 TYR H 1 61 ASP H 5.500 4.950 6.050 4.604 4.529 4.706 0.421 9 0 "[ . 1 . 2]" 1
674 1 60 TYR H 1 62 ASN H 5.500 4.950 6.050 6.134 5.734 6.309 0.259 16 0 "[ . 1 . 2]" 1
675 1 60 TYR HA 1 60 TYR QE 5.500 4.950 6.050 4.753 4.647 4.832 0.303 4 0 "[ . 1 . 2]" 1
676 1 60 TYR HA 1 61 ASP H 5.500 4.950 6.050 2.451 2.366 2.558 2.584 18 20 [************-****+**] 1
677 1 60 TYR HA 1 62 ASN H 5.500 4.950 6.050 5.383 5.194 5.522 . 0 0 "[ . 1 . 2]" 1
678 1 60 TYR QB 1 61 ASP H 5.500 4.950 6.050 3.979 3.734 4.158 1.216 4 20 [***+*******-********] 1
679 1 60 TYR QB 1 62 ASN H 5.500 4.950 6.050 4.681 4.539 4.779 0.411 3 0 "[ . 1 . 2]" 1
680 1 60 TYR QD 1 61 ASP H 5.500 4.950 6.050 3.829 2.536 4.503 2.414 15 18 "[***** ***-* **+*****]" 1
681 1 60 TYR QD 1 62 ASN H 5.500 4.950 6.050 4.047 2.374 5.071 2.576 3 8 "[ + . **1* - * * *2]" 1
682 1 60 TYR QD 1 66 ALA H 5.500 4.950 6.050 4.494 3.300 5.532 1.650 2 11 "[*+ ** * ***.* * -]" 1
683 1 60 TYR QD 1 66 ALA HA 5.500 4.950 6.050 3.809 2.415 4.757 2.535 12 17 "[***-** * **+****** *]" 1
684 1 60 TYR QD 1 66 ALA MB 5.500 4.950 6.050 4.105 2.488 5.713 2.462 13 13 "[ * * *****+-* ***2]" 1
685 1 60 TYR QD 1 69 ALA MB 5.500 4.950 6.050 4.847 4.343 5.352 0.607 3 1 "[ + . 1 . 2]" 1
686 1 60 TYR QE 1 66 ALA HA 5.500 4.950 6.050 4.061 2.208 5.709 2.742 13 13 "[ * ** * ***+-* ***2]" 1
687 1 60 TYR QE 1 66 ALA MB 5.500 4.950 6.050 4.903 3.359 6.488 1.591 13 7 "[ * * * 1*-+ . *2]" 1
688 1 60 TYR QE 1 69 ALA MB 5.500 4.950 6.050 3.711 3.059 4.910 1.891 4 17 "[***+*** *-***** ***]" 1
689 1 61 ASP H 1 62 ASN H 5.500 4.950 6.050 3.829 3.616 4.211 1.334 16 20 [**-************+****] 1
690 1 61 ASP H 1 62 ASN HA 5.500 4.950 6.050 5.812 5.683 6.049 . 0 0 "[ . 1 . 2]" 1
691 1 61 ASP H 1 65 SER QB 5.500 4.950 6.050 5.558 4.902 6.142 0.092 9 0 "[ . 1 . 2]" 1
692 1 61 ASP QB 1 62 ASN QD 5.500 4.950 6.050 4.221 2.900 4.463 2.050 4 19 "[** +**********-*****]" 1
693 1 62 ASN H 1 65 SER QB 5.500 4.950 6.050 4.183 2.927 4.676 2.023 3 11 "[ *+*.* * ** * - **]" 1
694 1 62 ASN H 1 66 ALA H 5.500 4.950 6.050 5.598 5.002 5.998 . 0 0 "[ . 1 . 2]" 1
695 1 62 ASN HA 1 63 PRO QD 5.500 4.950 6.050 1.998 1.908 2.139 3.042 7 20 [**-***+*************] 1
696 1 62 ASN HA 1 64 VAL QG 5.500 4.950 6.050 5.251 4.965 5.860 . 0 0 "[ . 1 . 2]" 1
697 1 62 ASN QB 1 63 PRO QD 5.500 4.950 6.050 3.334 2.519 3.608 2.431 2 20 [*+-*****************] 1
698 1 62 ASN QB 1 64 VAL H 5.500 4.950 6.050 3.277 2.906 3.829 2.044 4 20 [*-*+****************] 1
699 1 62 ASN QB 1 64 VAL HB 5.500 4.950 6.050 5.788 4.553 6.167 0.397 4 0 "[ . 1 . 2]" 1
700 1 62 ASN QB 1 64 VAL QG 5.500 4.950 6.050 3.326 2.885 4.492 2.065 4 19 "[* -+****************]" 1
701 1 62 ASN QB 1 65 SER H 5.500 4.950 6.050 4.287 2.835 4.973 2.115 3 11 "[ +*** * -* * * **]" 1
702 1 62 ASN QB 1 66 ALA H 5.500 4.950 6.050 6.027 5.264 6.570 0.520 2 1 "[ + . 1 . 2]" 1
703 1 62 ASN QD 1 64 VAL H 5.500 4.950 6.050 5.453 3.786 5.694 1.164 2 1 "[ + . 1 . 2]" 1
704 1 62 ASN QD 1 64 VAL QG 5.500 4.950 6.050 4.950 3.666 5.524 1.284 2 2 "[ +- . 1 . 2]" 1
705 1 63 PRO HA 1 64 VAL QG 5.500 4.950 6.050 4.814 4.667 5.056 0.283 8 0 "[ . 1 . 2]" 1
706 1 63 PRO HA 1 66 ALA MB 5.500 4.950 6.050 2.596 2.015 3.282 2.935 12 20 [**********-+********] 1
707 1 63 PRO HA 1 67 GLN H 5.500 4.950 6.050 4.927 4.370 6.181 0.580 13 1 "[ . 1 + . 2]" 1
708 1 63 PRO HB3 1 64 VAL H 5.500 4.950 6.050 4.577 4.059 4.746 0.891 11 3 "[ * . - 1+ . 2]" 1
709 1 63 PRO QD 1 64 VAL H 5.500 4.950 6.050 4.125 3.557 4.269 1.393 3 20 [**+***-*************] 1
710 1 63 PRO QD 1 64 VAL QG 5.500 4.950 6.050 4.823 4.155 5.228 0.795 3 2 "[ + . - 1 . 2]" 1
711 1 63 PRO QG 1 64 VAL QG 5.500 4.950 6.050 4.478 3.494 4.910 1.456 8 8 "[ * *- + 1** . * *2]" 1
712 1 64 VAL H 1 65 SER H 5.500 4.950 6.050 2.528 2.284 2.856 2.666 3 20 [*-+*****************] 1
713 1 64 VAL H 1 65 SER QB 5.500 4.950 6.050 4.830 4.286 5.429 0.664 3 1 "[ + . 1 . 2]" 1
714 1 64 VAL H 1 67 GLN H 5.500 4.950 6.050 6.234 6.050 6.587 0.537 3 1 "[ + . 1 . 2]" 1
715 1 64 VAL HA 1 67 GLN H 5.500 4.950 6.050 4.697 4.522 4.894 0.428 8 0 "[ . 1 . 2]" 1
716 1 64 VAL HA 1 67 GLN QB 5.500 4.950 6.050 5.189 4.745 5.794 0.205 2 0 "[ . 1 . 2]" 1
717 1 64 VAL HB 1 65 SER H 5.500 4.950 6.050 4.127 2.720 4.487 2.230 13 17 "[ ** **-*****+ ******]" 1
718 1 64 VAL QG 1 65 SER H 5.500 4.950 6.050 2.951 2.492 3.407 2.458 15 20 [*-************+*****] 1
719 1 64 VAL QG 1 65 SER QB 5.500 4.950 6.050 3.913 3.438 4.523 1.512 18 19 "[*-********** ****+**]" 1
720 1 64 VAL QG 1 66 ALA H 5.500 4.950 6.050 4.564 4.276 4.756 0.674 15 2 "[ -. 1 + 2]" 1
721 1 65 SER H 1 66 ALA H 5.500 4.950 6.050 2.777 2.410 3.012 2.540 17 20 [************-***+***] 1
722 1 65 SER H 1 66 ALA MB 5.500 4.950 6.050 4.441 3.812 4.702 1.138 9 4 "[ . *+1 - . * 2]" 1
723 1 65 SER HA 1 67 GLN H 5.500 4.950 6.050 4.920 4.640 5.443 0.310 11 0 "[ . 1 . 2]" 1
724 1 65 SER HA 1 68 ALA MB 5.500 4.950 6.050 3.585 2.819 4.882 2.131 4 18 "[***+*** ** *****-***]" 1
725 1 65 SER QB 1 66 ALA H 5.500 4.950 6.050 3.836 3.472 4.131 1.478 19 20 [*********-********+*] 1
726 1 66 ALA H 1 67 GLN H 5.500 4.950 6.050 2.951 2.641 3.333 2.309 11 20 [******-***+*********] 1
727 1 66 ALA HA 1 68 ALA H 5.500 4.950 6.050 4.722 3.935 4.968 1.015 9 1 "[ . +1 . 2]" 1
728 1 66 ALA HA 1 68 ALA HA 5.500 4.950 6.050 6.923 6.232 7.390 1.340 7 14 "[* **-*+ *** **** *]" 1
729 1 66 ALA HA 1 69 ALA H 5.500 4.950 6.050 4.398 3.225 5.392 1.725 19 9 "[ * * *** *-. *+2]" 1
730 1 66 ALA HA 1 69 ALA MB 5.500 4.950 6.050 4.672 3.361 5.683 1.589 13 7 "[ * * * +-. **2]" 1
731 1 66 ALA MB 1 67 GLN H 5.500 4.950 6.050 2.368 1.836 3.152 3.114 20 20 [*******-***********+] 1
732 1 66 ALA MB 1 69 ALA MB 5.500 4.950 6.050 5.167 3.770 6.199 1.180 19 2 "[ . 1 - . +2]" 1
733 1 67 GLN H 1 68 ALA HA 5.500 4.950 6.050 5.301 4.958 5.678 . 0 0 "[ . 1 . 2]" 1
734 1 67 GLN H 1 69 ALA MB 5.500 4.950 6.050 6.091 5.694 6.317 0.267 7 0 "[ . 1 . 2]" 1
735 1 67 GLN H 1 70 ILE H 5.500 4.950 6.050 5.321 4.905 5.849 0.045 5 0 "[ . 1 . 2]" 1
736 1 67 GLN H 1 70 ILE MD 5.500 4.950 6.050 4.566 3.163 5.805 1.787 11 7 "[ * . -*1+ * * *2]" 1
737 1 67 GLN H 1 70 ILE MG 5.500 4.950 6.050 5.729 5.184 6.199 0.149 20 0 "[ . 1 . 2]" 1
738 1 67 GLN H 1 87 LEU HG 5.500 4.950 6.050 7.099 6.170 8.732 2.682 9 9 "[ **. -*+1* ** * 2]" 1
739 1 67 GLN HA 1 70 ILE H 5.500 4.950 6.050 3.670 3.155 4.299 1.795 8 20 [******-+************] 1
740 1 67 GLN HA 1 70 ILE MD 5.500 4.950 6.050 3.657 2.180 4.868 2.770 11 14 "[ ****-**1+* **** *2]" 1
741 1 67 GLN HA 1 70 ILE MG 5.500 4.950 6.050 3.707 2.918 4.312 2.032 16 20 [***************+*-**] 1
742 1 67 GLN QB 1 68 ALA H 5.500 4.950 6.050 3.169 2.805 3.639 2.145 2 20 [*+********-*********] 1
743 1 67 GLN QB 1 68 ALA MB 5.500 4.950 6.050 4.310 3.884 4.770 1.066 20 14 "[***** *- * ** ** * +]" 1
744 1 67 GLN QB 1 69 ALA H 5.500 4.950 6.050 5.338 5.006 5.655 . 0 0 "[ . 1 . 2]" 1
745 1 67 GLN QG 1 68 ALA H 5.500 4.950 6.050 4.443 2.503 4.911 2.447 11 4 "[ .* 1+- . *2]" 1
746 1 67 GLN QG 1 70 ILE H 5.500 4.950 6.050 5.533 4.886 6.183 0.133 6 0 "[ . 1 . 2]" 1
747 1 67 GLN QG 1 70 ILE MD 5.500 4.950 6.050 4.618 2.190 5.655 2.760 17 5 "[ * . **1 - + 2]" 1
748 1 68 ALA H 1 69 ALA HA 5.500 4.950 6.050 5.809 5.511 6.045 . 0 0 "[ . 1 . 2]" 1
749 1 68 ALA H 1 70 ILE H 5.500 4.950 6.050 4.852 4.700 5.204 0.250 5 0 "[ . 1 . 2]" 1
750 1 68 ALA HA 1 69 ALA HA 5.500 4.950 6.050 4.798 4.727 4.884 0.223 16 0 "[ . 1 . 2]" 1
751 1 68 ALA HA 1 69 ALA MB 5.500 4.950 6.050 5.229 5.118 5.349 . 0 0 "[ . 1 . 2]" 1
752 1 68 ALA HA 1 71 GLN H 5.500 4.950 6.050 4.645 4.441 4.792 0.509 20 1 "[ . 1 . +]" 1
753 1 68 ALA HA 1 71 GLN QB 5.500 4.950 6.050 5.005 4.803 5.253 0.147 2 0 "[ . 1 . 2]" 1
754 1 68 ALA HA 1 72 ALA H 5.500 4.950 6.050 5.073 4.766 5.664 0.184 12 0 "[ . 1 . 2]" 1
755 1 68 ALA MB 1 69 ALA H 5.500 4.950 6.050 3.221 2.867 3.528 2.083 16 20 [***************+***-] 1
756 1 68 ALA MB 1 69 ALA HA 5.500 4.950 6.050 4.530 4.291 4.626 0.659 16 2 "[ -. 1 .+ 2]" 1
757 1 68 ALA MB 1 69 ALA MB 5.500 4.950 6.050 4.315 3.952 4.537 0.998 16 13 "[- ***** ** **+* *2]" 1
758 1 68 ALA MB 1 71 GLN QB 5.500 4.950 6.050 6.025 5.799 6.180 0.130 11 0 "[ . 1 . 2]" 1
759 1 68 ALA MB 1 72 ALA MB 5.500 4.950 6.050 5.204 4.756 5.630 0.194 12 0 "[ . 1 . 2]" 1
760 1 69 ALA H 1 70 ILE H 5.500 4.950 6.050 2.660 2.430 2.825 2.520 8 20 [***-***+************] 1
761 1 69 ALA H 1 70 ILE HB 5.500 4.950 6.050 4.832 4.586 5.017 0.364 16 0 "[ . 1 . 2]" 1
762 1 69 ALA H 1 70 ILE MG 5.500 4.950 6.050 5.807 5.592 6.015 . 0 0 "[ . 1 . 2]" 1
763 1 69 ALA H 1 71 GLN H 5.500 4.950 6.050 4.782 4.576 5.003 0.374 3 0 "[ . 1 . 2]" 1
764 1 69 ALA HA 1 70 ILE HB 5.500 4.950 6.050 5.951 5.692 6.190 0.140 15 0 "[ . 1 . 2]" 1
765 1 69 ALA HA 1 72 ALA H 5.500 4.950 6.050 3.602 3.218 3.948 1.732 6 20 [*****+************-*] 1
766 1 69 ALA MB 1 70 ILE H 5.500 4.950 6.050 2.623 2.173 2.995 2.777 15 20 [************-*+*****] 1
767 1 69 ALA MB 1 72 ALA H 5.500 4.950 6.050 4.801 4.646 5.033 0.304 6 0 "[ . 1 . 2]" 1
768 1 69 ALA MB 1 72 ALA MB 5.500 4.950 6.050 4.125 3.516 4.822 1.434 6 16 "[** *.+ -********** *]" 1
769 1 69 ALA MB 1 85 VAL QG 5.500 4.950 6.050 4.484 3.653 4.644 1.297 8 3 "[ . *+ 1 - 2]" 1
770 1 70 ILE H 1 70 ILE MD 5.500 4.950 6.050 2.823 1.970 3.578 2.980 12 20 [**********-+********] 1
771 1 70 ILE H 1 71 GLN H 5.500 4.950 6.050 3.423 2.930 3.740 2.020 13 20 [***********-+*******] 1
772 1 70 ILE H 1 71 GLN QB 5.500 4.950 6.050 5.661 5.103 5.899 . 0 0 "[ . 1 . 2]" 1
773 1 70 ILE H 1 72 ALA H 5.500 4.950 6.050 4.964 4.698 5.163 0.252 13 0 "[ . 1 . 2]" 1
774 1 70 ILE H 1 85 VAL QG 5.500 4.950 6.050 4.478 4.082 4.992 0.868 8 10 "[ *.**+*1** .- **]" 1
775 1 70 ILE HA 1 73 MET H 5.500 4.950 6.050 4.553 4.204 4.710 0.746 20 3 "[ . 1- . * +]" 1
776 1 70 ILE HA 1 74 ASN H 5.500 4.950 6.050 5.909 5.521 6.194 0.144 14 0 "[ . 1 . 2]" 1
777 1 70 ILE HA 1 85 VAL HB 5.500 4.950 6.050 4.687 4.256 4.953 0.694 7 2 "[ . + 1 . - 2]" 1
778 1 70 ILE HA 1 85 VAL QG 5.500 4.950 6.050 2.543 2.268 2.828 2.682 8 20 [****-**+************] 1
779 1 70 ILE HB 1 71 GLN H 5.500 4.950 6.050 3.246 2.904 3.694 2.046 11 20 [****-*****+*********] 1
780 1 70 ILE HB 1 71 GLN QB 5.500 4.950 6.050 5.067 4.807 5.465 0.143 12 0 "[ . 1 . 2]" 1
781 1 70 ILE HB 1 72 ALA H 5.500 4.950 6.050 5.893 5.592 6.318 0.268 5 0 "[ . 1 . 2]" 1
782 1 70 ILE HB 1 87 LEU H 5.500 4.950 6.050 5.802 5.237 6.288 0.238 9 0 "[ . 1 . 2]" 1
783 1 70 ILE MD 1 71 GLN H 5.500 4.950 6.050 4.884 4.689 5.105 0.261 5 0 "[ . 1 . 2]" 1
784 1 70 ILE MD 1 85 VAL QG 5.500 4.950 6.050 2.992 2.072 3.789 2.878 20 20 [********-**********+] 1
785 1 70 ILE MD 1 86 GLN HA 5.500 4.950 6.050 4.707 4.148 4.926 0.802 8 2 "[ . + 1 . -]" 1
786 1 70 ILE MD 1 87 LEU H 5.500 4.950 6.050 5.082 4.134 5.605 0.816 8 2 "[ . + 1- . 2]" 1
787 1 70 ILE MD 1 87 LEU HG 5.500 4.950 6.050 5.186 3.495 6.244 1.455 19 1 "[ . 1 . +2]" 1
788 1 70 ILE QG 1 85 VAL QG 5.500 4.950 6.050 3.057 2.518 3.695 2.432 13 20 [************+******-] 1
789 1 70 ILE MG 1 71 GLN H 5.500 4.950 6.050 3.598 2.833 4.210 2.117 16 20 [**************-+****] 1
790 1 70 ILE MG 1 71 GLN HA 5.500 4.950 6.050 3.921 3.523 4.526 1.427 4 18 "[**-+**********.* ***]" 1
791 1 70 ILE MG 1 71 GLN QB 5.500 4.950 6.050 4.586 3.875 5.353 1.075 12 9 "[** *.*- 1 +**.* 2]" 1
792 1 70 ILE MG 1 74 ASN H 5.500 4.950 6.050 6.064 5.742 6.195 0.145 17 0 "[ . 1 . 2]" 1
793 1 70 ILE MG 1 74 ASN HA 5.500 4.950 6.050 5.676 5.237 6.126 0.076 16 0 "[ . 1 . 2]" 1
794 1 70 ILE MG 1 74 ASN QB 5.500 4.950 6.050 4.565 4.494 4.643 0.456 17 0 "[ . 1 . 2]" 1
795 1 70 ILE MG 1 74 ASN QD 5.500 4.950 6.050 4.941 3.849 5.392 1.101 12 2 "[ . 1 + . - 2]" 1
796 1 70 ILE MG 1 86 GLN HA 5.500 4.950 6.050 2.516 2.268 2.814 2.682 5 20 [**-*+***************] 1
797 1 70 ILE MG 1 87 LEU H 5.500 4.950 6.050 3.317 2.720 3.776 2.230 5 20 [****+***********-***] 1
798 1 71 GLN H 1 72 ALA H 5.500 4.950 6.050 2.853 2.778 2.950 2.172 5 20 [****+**********-****] 1
799 1 71 GLN H 1 72 ALA MB 5.500 4.950 6.050 4.709 4.619 4.798 0.331 18 0 "[ . 1 . 2]" 1
800 1 71 GLN QB 1 72 ALA H 5.500 4.950 6.050 3.242 3.103 3.405 1.847 16 20 [***************+**-*] 1
801 1 71 GLN QB 1 72 ALA MB 5.500 4.950 6.050 4.565 4.458 4.640 0.492 7 0 "[ . 1 . 2]" 1
802 1 71 GLN QB 1 74 ASN H 5.500 4.950 6.050 4.830 4.719 4.928 0.231 16 0 "[ . 1 . 2]" 1
803 1 71 GLN HE21 1 87 LEU QD 5.500 4.950 6.050 5.211 4.820 6.068 0.130 19 0 "[ . 1 . 2]" 1
804 1 71 GLN QG 1 72 ALA H 5.500 4.950 6.050 4.795 4.735 4.941 0.215 14 0 "[ . 1 . 2]" 1
805 1 71 GLN QG 1 72 ALA MB 5.500 4.950 6.050 6.051 5.987 6.126 0.076 17 0 "[ . 1 . 2]" 1
806 1 72 ALA H 1 73 MET H 5.500 4.950 6.050 3.037 2.795 3.209 2.155 20 20 [***************-***+] 1
807 1 72 ALA H 1 73 MET HA 5.500 4.950 6.050 5.592 5.476 5.731 . 0 0 "[ . 1 . 2]" 1
808 1 72 ALA H 1 74 ASN H 5.500 4.950 6.050 4.651 4.546 4.741 0.404 2 0 "[ . 1 . 2]" 1
809 1 72 ALA MB 1 73 MET H 5.500 4.950 6.050 3.336 2.867 3.627 2.083 4 20 [***+**-*************] 1
810 1 72 ALA MB 1 73 MET HA 5.500 4.950 6.050 4.239 4.061 4.477 0.889 15 17 "[**-*.* *******+*** *]" 1
811 1 72 ALA MB 1 73 MET QB 5.500 4.950 6.050 3.990 3.475 4.659 1.475 18 14 "[* *.* *********+ -]" 1
812 1 72 ALA MB 1 73 MET QG 5.500 4.950 6.050 5.036 4.640 5.445 0.310 19 0 "[ . 1 . 2]" 1
813 1 72 ALA MB 1 74 ASN H 5.500 4.950 6.050 4.771 4.643 4.862 0.307 4 0 "[ . 1 . 2]" 1
814 1 73 MET H 1 74 ASN H 5.500 4.950 6.050 2.440 2.094 3.262 2.856 15 20 [*******-******+*****] 1
815 1 73 MET H 1 85 VAL QG 5.500 4.950 6.050 4.829 4.539 5.350 0.411 7 0 "[ . 1 . 2]" 1
816 1 73 MET HA 1 76 PHE H 5.500 4.950 6.050 4.817 4.193 5.024 0.757 8 2 "[ . +-1 . 2]" 1
817 1 73 MET QB 1 74 ASN H 5.500 4.950 6.050 3.645 3.348 3.817 1.602 2 20 [*+*****-************] 1
818 1 73 MET QB 1 75 GLY H 5.500 4.950 6.050 5.383 4.962 5.828 . 0 0 "[ . 1 . 2]" 1
819 1 73 MET QB 1 83 LEU HG 5.500 4.950 6.050 4.459 3.215 5.000 1.735 9 6 "[ **-. *+1 . *2]" 1
820 1 73 MET QB 1 85 VAL H 5.500 4.950 6.050 5.448 4.824 6.228 0.178 1 0 "[ . 1 . 2]" 1
821 1 73 MET QB 1 85 VAL QG 5.500 4.950 6.050 3.337 2.636 3.923 2.314 7 20 [******+*********-***] 1
822 1 73 MET QG 1 74 ASN H 5.500 4.950 6.050 4.852 4.700 5.046 0.250 11 0 "[ . 1 . 2]" 1
823 1 73 MET QG 1 76 PHE H 5.500 4.950 6.050 5.191 4.868 5.695 0.082 18 0 "[ . 1 . 2]" 1
824 1 73 MET QG 1 76 PHE QD 5.500 4.950 6.050 3.815 2.266 5.060 2.684 4 12 "[ -*+.* **** .****2]" 1
825 1 73 MET QG 1 78 ILE MG 5.500 4.950 6.050 6.458 5.691 7.396 1.346 15 6 "[ * - **+ *]" 1
826 1 73 MET QG 1 83 LEU HG 5.500 4.950 6.050 3.003 2.563 4.043 2.387 13 20 [******-*****+*******] 1
827 1 74 ASN H 1 74 ASN QD 5.500 4.950 6.050 4.549 4.360 4.707 0.590 18 6 "[ . * * *. -+*2]" 1
828 1 74 ASN H 1 75 GLY H 5.500 4.950 6.050 4.588 4.509 4.676 0.441 14 0 "[ . 1 . 2]" 1
829 1 74 ASN H 1 85 VAL HB 5.500 4.950 6.050 5.849 5.046 6.354 0.304 18 0 "[ . 1 . 2]" 1
830 1 74 ASN H 1 85 VAL QG 5.500 4.950 6.050 5.253 4.919 5.674 0.031 2 0 "[ . 1 . 2]" 1
831 1 74 ASN HA 1 75 GLY H 5.500 4.950 6.050 2.511 2.417 2.571 2.533 9 20 [***-****+***********] 1
832 1 74 ASN HA 1 76 PHE H 5.500 4.950 6.050 4.435 3.948 4.631 1.002 15 7 "[ * . **1 * + * -2]" 1
833 1 74 ASN HA 1 85 VAL H 5.500 4.950 6.050 3.265 2.766 3.729 2.184 16 20 [**************-+****] 1
834 1 74 ASN HA 1 85 VAL QG 5.500 4.950 6.050 4.296 4.114 4.427 0.836 18 20 [********-********+**] 1
835 1 74 ASN QB 1 75 GLY H 5.500 4.950 6.050 4.148 3.973 4.206 0.977 1 20 [+******************-] 1
836 1 74 ASN QB 1 75 GLY QA 5.500 4.950 6.050 4.191 3.838 4.354 1.112 1 20 [+******************-] 1
837 1 74 ASN QB 1 85 VAL H 5.500 4.950 6.050 4.536 3.971 4.755 0.979 16 4 "[ - .* *1 .+ 2]" 1
838 1 74 ASN QB 1 85 VAL QG 5.500 4.950 6.050 4.543 4.347 4.828 0.603 3 4 "[- + . 1 * * 2]" 1
839 1 75 GLY H 1 76 PHE H 5.500 4.950 6.050 2.735 2.533 3.404 2.417 9 20 [-*******+***********] 1
840 1 75 GLY H 1 76 PHE QB 5.500 4.950 6.050 4.202 3.992 4.585 0.958 4 19 "[ **+***-************]" 1
841 1 75 GLY H 1 85 VAL QG 5.500 4.950 6.050 5.373 4.891 5.723 0.059 13 0 "[ . 1 . 2]" 1
842 1 76 PHE H 1 76 PHE QD 5.500 4.950 6.050 4.259 4.135 4.342 0.815 4 20 [***+***********-****] 1
843 1 76 PHE H 1 77 GLN QG 5.500 4.950 6.050 5.364 4.974 5.628 . 0 0 "[ . 1 . 2]" 1
844 1 76 PHE H 1 78 ILE QG 5.500 4.950 6.050 5.335 4.855 6.257 0.207 1 0 "[ . 1 . 2]" 1
845 1 76 PHE H 1 83 LEU HG 5.500 4.950 6.050 5.672 4.875 6.197 0.147 1 0 "[ . 1 . 2]" 1
846 1 76 PHE H 1 85 VAL QG 5.500 4.950 6.050 6.527 5.810 7.284 1.234 1 13 "[+**-.* *1** * ****]" 1
847 1 76 PHE HA 1 77 GLN H 5.500 4.950 6.050 2.314 2.247 2.369 2.703 19 20 [******-***********+*] 1
848 1 76 PHE HA 1 78 ILE MD 5.500 4.950 6.050 5.886 5.149 6.249 0.199 20 0 "[ . 1 . 2]" 1
849 1 76 PHE QB 1 77 GLN H 5.500 4.950 6.050 4.117 4.075 4.144 0.875 4 20 [***+-***************] 1
850 1 76 PHE QB 1 83 LEU HG 5.500 4.950 6.050 4.723 4.537 4.973 0.413 20 0 "[ . 1 . 2]" 1
851 1 76 PHE QD 1 77 GLN H 5.500 4.950 6.050 3.915 2.983 4.351 1.967 4 20 [*-*+****************] 1
852 1 76 PHE QD 1 78 ILE MD 5.500 4.950 6.050 2.641 1.947 3.500 3.003 8 20 [***-***+************] 1
853 1 76 PHE QD 1 83 LEU HG 5.500 4.950 6.050 4.806 4.700 4.947 0.250 17 0 "[ . 1 . 2]" 1
854 1 76 PHE QE 1 77 GLN H 5.500 4.950 6.050 5.307 4.905 5.604 0.045 19 0 "[ . 1 . 2]" 1
855 1 76 PHE QE 1 78 ILE HB 5.500 4.950 6.050 5.523 5.111 6.096 0.046 17 0 "[ . 1 . 2]" 1
856 1 76 PHE QE 1 78 ILE MD 5.500 4.950 6.050 2.399 1.947 3.240 3.003 10 20 [******-**+**********] 1
857 1 76 PHE QE 1 83 LEU HG 5.500 4.950 6.050 6.348 6.200 6.480 0.430 14 0 "[ . 1 . 2]" 1
858 1 77 GLN H 1 78 ILE H 5.500 4.950 6.050 4.611 4.543 4.690 0.407 4 0 "[ . 1 . 2]" 1
859 1 77 GLN H 1 82 ARG HA 5.500 4.950 6.050 5.118 4.893 5.563 0.057 9 0 "[ . 1 . 2]" 1
860 1 77 GLN HA 1 78 ILE H 5.500 4.950 6.050 2.185 2.112 2.309 2.838 11 20 [*******-**+*********] 1
861 1 77 GLN HA 1 78 ILE MG 5.500 4.950 6.050 5.486 5.382 5.614 . 0 0 "[ . 1 . 2]" 1
862 1 77 GLN HB3 1 78 ILE MG 5.500 4.950 6.050 6.040 5.897 6.469 0.419 1 0 "[ . 1 . 2]" 1
863 1 77 GLN HE22 1 78 ILE MG 5.500 4.950 6.050 6.052 5.721 6.292 0.242 1 0 "[ . 1 . 2]" 1
864 1 77 GLN QG 1 78 ILE H 5.500 4.950 6.050 4.087 3.743 4.788 1.207 9 19 "[ **-****+***********]" 1
865 1 77 GLN QG 1 79 GLY H 5.500 4.950 6.050 5.935 5.413 6.153 0.103 17 0 "[ . 1 . 2]" 1
866 1 77 GLN QG 1 81 LYS H 5.500 4.950 6.050 5.938 5.670 6.317 0.267 4 0 "[ . 1 . 2]" 1
867 1 77 GLN QG 1 82 ARG H 5.500 4.950 6.050 5.478 4.775 6.037 0.175 4 0 "[ . 1 . 2]" 1
868 1 78 ILE H 1 78 ILE MD 5.500 4.950 6.050 4.591 4.295 4.698 0.655 1 2 "[+ . - 1 . 2]" 1
869 1 78 ILE H 1 79 GLY HA3 5.500 4.950 6.050 4.914 4.812 5.226 0.138 11 0 "[ . 1 . 2]" 1
870 1 78 ILE H 1 81 LYS H 5.500 4.950 6.050 3.818 3.422 4.600 1.528 19 17 "[ ** ******** **-**+*]" 1
871 1 78 ILE H 1 81 LYS QB 5.500 4.950 6.050 4.859 4.602 5.867 0.348 2 0 "[ . 1 . 2]" 1
872 1 78 ILE H 1 82 ARG HA 5.500 4.950 6.050 3.100 2.700 3.566 2.250 13 20 [************+*****-*] 1
873 1 78 ILE H 1 82 ARG QG 5.500 4.950 6.050 5.907 5.192 6.299 0.249 1 0 "[ . 1 . 2]" 1
874 1 78 ILE HA 1 79 GLY H 5.500 4.950 6.050 2.508 2.477 2.534 2.473 13 20 [******-*****+*******] 1
875 1 78 ILE HA 1 79 GLY HA2 5.500 4.950 6.050 4.642 4.599 4.674 0.351 1 0 "[ . 1 . 2]" 1
876 1 78 ILE HB 1 79 GLY H 5.500 4.950 6.050 4.781 4.718 4.824 0.232 9 0 "[ . 1 . 2]" 1
877 1 78 ILE MD 1 79 GLY H 5.500 4.950 6.050 5.728 4.671 5.949 0.279 1 0 "[ . 1 . 2]" 1
878 1 78 ILE QG 1 79 GLY H 5.500 4.950 6.050 4.658 4.565 4.815 0.385 20 0 "[ . 1 . 2]" 1
879 1 78 ILE MG 1 79 GLY H 5.500 4.950 6.050 3.749 3.570 3.871 1.380 1 20 [+*****-*************] 1
880 1 78 ILE MG 1 81 LYS QG 5.500 4.950 6.050 5.498 4.922 5.863 0.028 9 0 "[ . 1 . 2]" 1
881 1 79 GLY H 1 80 MET HA 5.500 4.950 6.050 5.320 5.152 5.459 . 0 0 "[ . 1 . 2]" 1
882 1 79 GLY HA2 1 80 MET QG 5.500 4.950 6.050 4.513 4.174 4.742 0.776 6 6 "[* .+ ** *-. 2]" 1
883 1 80 MET H 1 81 LYS H 5.500 4.950 6.050 2.653 2.260 2.881 2.690 6 20 [*****+-*************] 1
884 1 80 MET H 1 81 LYS HA 5.500 4.950 6.050 5.132 4.843 5.310 0.107 6 0 "[ . 1 . 2]" 1
885 1 80 MET QB 1 81 LYS H 5.500 4.950 6.050 3.985 3.234 4.127 1.716 13 20 [************+*****-*] 1
886 1 80 MET QG 1 81 LYS QG 5.500 4.950 6.050 3.190 2.732 4.375 2.218 1 20 [+****-**************] 1
887 1 81 LYS H 1 82 ARG H 5.500 4.950 6.050 4.563 4.507 4.615 0.443 17 0 "[ . 1 . 2]" 1
888 1 81 LYS HA 1 82 ARG H 5.500 4.950 6.050 2.503 2.354 2.613 2.596 4 20 [***+***-************] 1
889 1 81 LYS HA 1 82 ARG QG 5.500 4.950 6.050 4.784 3.261 5.304 1.689 15 3 "[ . 1 + - *2]" 1
890 1 81 LYS QB 1 82 ARG H 5.500 4.950 6.050 2.553 2.258 2.995 2.692 15 20 [******-*******+*****] 1
891 1 81 LYS QD 1 82 ARG H 5.500 4.950 6.050 4.177 3.516 4.921 1.434 20 12 "[ * . -*** ******+]" 1
892 1 81 LYS QD 1 82 ARG QD 5.500 4.950 6.050 5.225 4.483 5.953 0.467 16 0 "[ . 1 . 2]" 1
893 1 81 LYS QG 1 82 ARG H 5.500 4.950 6.050 4.493 4.291 4.901 0.659 15 10 "[ * *. 1 -**+** **]" 1
894 1 81 LYS QG 1 83 LEU QD 5.500 4.950 6.050 4.945 4.575 5.293 0.375 7 0 "[ . 1 . 2]" 1
895 1 82 ARG H 1 82 ARG QD 5.500 4.950 6.050 2.641 1.948 4.203 3.002 7 20 [******+*******-*****] 1
896 1 82 ARG H 1 83 LEU H 5.500 4.950 6.050 4.553 4.478 4.642 0.472 19 0 "[ . 1 . 2]" 1
897 1 82 ARG H 1 83 LEU HA 5.500 4.950 6.050 4.921 4.805 5.324 0.145 14 0 "[ . 1 . 2]" 1
898 1 82 ARG QG 1 83 LEU QD 5.500 4.950 6.050 4.914 4.696 5.689 0.254 16 0 "[ . 1 . 2]" 1
899 1 83 LEU H 1 83 LEU QD 5.500 4.950 6.050 2.587 1.900 3.656 3.050 4 20 [***+****-***********] 1
900 1 83 LEU H 1 83 LEU HG 5.500 4.950 6.050 4.336 3.381 4.760 1.569 4 11 "[***+* *-***. *2]" 1
901 1 83 LEU H 1 84 LYS H 5.500 4.950 6.050 4.491 4.345 4.565 0.605 6 2 "[ .+ 1 - 2]" 1
902 1 83 LEU HA 1 84 LYS H 5.500 4.950 6.050 2.421 2.302 2.514 2.648 4 20 [***+**************-*] 1
903 1 83 LEU QB 1 84 LYS H 5.500 4.950 6.050 3.763 3.572 4.012 1.378 4 20 [***+****-***********] 1
904 1 83 LEU QD 1 84 LYS H 5.500 4.950 6.050 3.944 2.837 4.708 2.113 7 19 "[*** **+***********-*]" 1
905 1 83 LEU QD 1 85 VAL QG 5.500 4.950 6.050 3.825 2.336 4.448 2.614 7 20 [******+**********-**] 1
906 1 83 LEU HG 1 84 LYS H 5.500 4.950 6.050 5.883 5.049 6.144 0.094 1 0 "[ . 1 . 2]" 1
907 1 84 LYS H 1 85 VAL H 5.500 4.950 6.050 4.704 4.661 4.754 0.289 9 0 "[ . 1 . 2]" 1
908 1 84 LYS H 1 85 VAL QG 5.500 4.950 6.050 4.245 3.585 4.676 1.365 7 9 "[* - **+ * **.* 2]" 1
909 1 84 LYS HA 1 85 VAL H 5.500 4.950 6.050 2.418 2.326 2.545 2.624 15 20 [************-*+*****] 1
910 1 84 LYS HA 1 85 VAL QG 5.500 4.950 6.050 4.165 3.673 4.463 1.277 7 18 "[******+*** -***** **]" 1
911 1 84 LYS QB 1 85 VAL H 5.500 4.950 6.050 3.584 2.957 3.974 1.993 10 20 [*********+-*********] 1
912 1 84 LYS QG 1 85 VAL H 5.500 4.950 6.050 3.400 2.198 4.678 2.752 17 19 "[************- **+***]" 1
913 1 85 VAL HA 1 86 GLN H 5.500 4.950 6.050 2.468 2.315 2.578 2.635 9 20 [********+********-**] 1
914 1 85 VAL QG 1 86 GLN H 5.500 4.950 6.050 2.360 2.171 2.646 2.779 18 20 [**************-**+**] 1
915 1 85 VAL QG 1 86 GLN HA 5.500 4.950 6.050 3.233 2.812 3.566 2.138 15 20 [**************+-****] 1
916 1 85 VAL QG 1 89 ARG QD 5.500 4.950 6.050 5.582 5.229 5.970 . 0 0 "[ . 1 . 2]" 1
917 1 86 GLN H 1 87 LEU H 5.500 4.950 6.050 4.531 4.459 4.588 0.491 20 0 "[ . 1 . 2]" 1
918 1 86 GLN HA 1 87 LEU H 5.500 4.950 6.050 2.567 2.330 2.650 2.620 10 20 [*********+-*********] 1
919 1 86 GLN HA 1 87 LEU QB 5.500 4.950 6.050 4.553 4.080 4.931 0.870 10 5 "[- . + * **]" 1
920 1 86 GLN HA 1 87 LEU HG 5.500 4.950 6.050 6.753 6.219 7.150 1.100 11 15 "[****.- ***+ *** ** *]" 1
921 1 87 LEU H 1 87 LEU QD 5.500 4.950 6.050 3.330 2.490 3.837 2.460 7 20 [******+***********-*] 1
922 1 87 LEU H 1 87 LEU HG 5.500 4.950 6.050 4.709 4.569 4.811 0.381 7 0 "[ . 1 . 2]" 1
923 1 87 LEU H 1 88 LYS H 5.500 4.950 6.050 4.829 4.769 4.903 0.181 19 0 "[ . 1 . 2]" 1
924 1 87 LEU H 1 89 ARG QB 5.500 4.950 6.050 4.965 4.731 5.544 0.219 19 0 "[ . 1 . 2]" 1
925 1 87 LEU HA 1 88 LYS H 5.500 4.950 6.050 2.527 2.388 2.687 2.562 9 20 [********+******-****] 1
926 1 87 LEU QB 1 88 LYS H 5.500 4.950 6.050 3.243 2.572 4.041 2.378 16 20 [*********-*****+****] 1
927 1 87 LEU QB 1 89 ARG QD 5.500 4.950 6.050 5.030 4.809 6.124 0.141 17 0 "[ . 1 . 2]" 1
928 1 87 LEU QD 1 88 LYS H 5.500 4.950 6.050 3.673 2.796 4.338 2.154 19 20 [***********-******+*] 1
929 1 87 LEU QD 1 88 LYS HA 5.500 4.950 6.050 5.319 4.716 5.789 0.234 10 0 "[ . 1 . 2]" 1
930 1 87 LEU QD 1 88 LYS QB 5.500 4.950 6.050 4.671 3.601 5.172 1.349 20 3 "[- . 1 . *+]" 1
931 1 87 LEU QD 1 88 LYS QG 5.500 4.950 6.050 5.577 4.542 6.274 0.408 10 0 "[ . 1 . 2]" 1
932 1 87 LEU QD 1 89 ARG QD 5.500 4.950 6.050 5.670 5.290 6.171 0.121 16 0 "[ . 1 . 2]" 1
933 1 87 LEU QD 1 89 ARG QG 5.500 4.950 6.050 6.402 6.166 6.651 0.601 11 2 "[- . 1+ . 2]" 1
934 1 87 LEU HG 1 88 LYS H 5.500 4.950 6.050 3.479 2.723 4.633 2.227 11 17 "[****-* ***+ *** ****]" 1
935 1 87 LEU HG 1 88 LYS QB 5.500 4.950 6.050 5.080 4.404 5.810 0.546 11 1 "[ . 1+ . 2]" 1
936 1 88 LYS H 1 88 LYS QE 5.500 4.950 6.050 5.794 5.243 6.299 0.249 20 0 "[ . 1 . 2]" 1
937 1 88 LYS HA 1 88 LYS QE 5.500 4.950 6.050 5.031 4.627 5.575 0.323 20 0 "[ . 1 . 2]" 1
938 1 88 LYS QD 1 89 ARG QB 5.500 4.950 6.050 4.816 4.598 4.953 0.352 14 0 "[ . 1 . 2]" 1
939 1 88 LYS QD 1 89 ARG QD 5.500 4.950 6.050 4.808 3.626 6.088 1.324 9 5 "[** . +1 . -*]" 1
940 1 88 LYS QE 1 91 LYS QE 5.500 4.950 6.050 4.137 2.682 5.364 2.268 2 10 "[*+ .** *1-* .* **]" 1
941 1 88 LYS QG 1 89 ARG H 5.500 4.950 6.050 4.102 3.322 4.796 1.628 14 12 "[*** ** **1* *+. * -]" 1
942 1 89 ARG QB 1 90 SER H 5.500 4.950 6.050 3.342 2.634 3.768 2.316 4 20 [***+************-***] 1
943 1 89 ARG QD 1 90 SER HA 5.500 4.950 6.050 6.176 5.918 6.370 0.320 7 0 "[ . 1 . 2]" 1
944 1 89 ARG QG 1 90 SER HA 5.500 4.950 6.050 5.307 4.864 5.862 0.086 20 0 "[ . 1 . 2]" 1
945 1 90 SER H 1 91 LYS H 5.500 4.950 6.050 4.168 3.149 4.754 1.801 9 10 "[ * ** *+1 *- * * *2]" 1
946 1 90 SER QB 1 91 LYS H 5.500 4.950 6.050 3.190 2.096 3.935 2.854 7 20 [*****-+*************] 1
947 1 90 SER QB 1 91 LYS HA 5.500 4.950 6.050 4.646 3.855 4.845 1.095 16 3 "[ . * 1 - .+ 2]" 1
948 1 90 SER QB 1 92 ASN HA 5.500 4.950 6.050 5.452 4.944 5.934 0.006 19 0 "[ . 1 . 2]" 1
949 1 91 LYS HA 1 92 ASN HA 5.500 4.950 6.050 4.565 4.495 4.702 0.455 20 0 "[ . 1 . 2]" 1
950 1 92 ASN QB 1 93 ASP H 5.500 4.950 6.050 3.441 2.172 4.172 2.778 15 20 [*************-+*****] 1
951 1 96 PRO HA 1 97 TYR H 5.500 4.950 6.050 2.880 2.125 3.628 2.825 8 20 [-******+************] 1
952 1 96 PRO QG 1 97 TYR H 5.500 4.950 6.050 3.973 2.472 4.844 2.478 2 11 "[*+**.** -* **. *]" 1
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