NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
622934 |
5odd   |
25493 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5odd
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 1302
_Distance_constraint_stats_list.Viol_count 3286
_Distance_constraint_stats_list.Viol_total 29123.975
_Distance_constraint_stats_list.Viol_max 1.917
_Distance_constraint_stats_list.Viol_rms 0.2116
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0559
_Distance_constraint_stats_list.Viol_average_violations_only 0.4432
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ALA 3.185 0.642 4 1 "[ +. 1 . 2]"
1 5 PRO 6.867 0.977 5 4 "[ *+ * 1 - . 2]"
1 6 ALA 9.434 1.258 8 9 "[ **-+ 1 **** * 2]"
1 7 SER 16.398 1.570 18 12 "[ ** ** -** *** + *]"
1 8 PRO 23.427 1.787 11 16 "[******* *1+ * **-***]"
1 9 GLN 36.269 1.570 18 16 "[*******-** **** + *]"
1 10 GLN 18.926 0.862 6 9 "[* * *+** 1 *- . * 2]"
1 11 ILE 18.024 1.258 8 13 "[* * -+ ********* 2]"
1 12 ARG 15.787 1.339 4 9 "[ -+.* ** **.* * 2]"
1 13 ASP 5.052 0.703 8 3 "[ * . + 1 - 2]"
1 14 ARG 5.683 0.776 9 4 "[ . +1 * *- 2]"
1 15 LEU 27.485 0.992 19 14 "[ *-** **** **** *+2]"
1 16 LEU 4.146 0.466 19 0 "[ . 1 . 2]"
1 17 GLN 11.063 1.143 17 6 "[ . *1 ** *-+ 2]"
1 18 ALA 34.867 1.444 17 15 "[ * ** *-********+* 2]"
1 19 ILE 43.685 1.594 7 16 "[ **** +***- *******2]"
1 20 ASP 26.938 1.393 7 18 "[-**** +******** ****]"
1 21 PRO 10.805 1.527 12 12 "[* ***- ** + * ** *]"
1 22 GLN 14.517 0.997 10 13 "[-** .** *+** **** 2]"
1 23 SER 9.928 0.868 5 5 "[ + 1- * .* * 2]"
1 24 ASN 61.076 1.903 20 19 "[*****-****** ******+]"
1 25 ILE 46.836 1.886 14 20 [*-***********+******]
1 26 ARG 42.531 1.594 7 18 "[-**** +******** ****]"
1 27 ASN 31.093 1.444 17 17 "[ **** -********+***]"
1 28 MET 26.388 1.827 19 13 "[ **** ** *** **+-]"
1 29 VAL 4.148 1.823 15 2 "[ . - + 2]"
1 30 ALA 3.721 0.615 15 1 "[ . 1 + 2]"
1 31 VAL 40.752 1.827 19 15 "[ -**. ***1*** ****+*]"
1 32 LEU 5.723 1.823 15 1 "[ . 1 + 2]"
1 33 GLU 17.624 0.943 16 8 "[* - ** 1* .+ **]"
1 34 VAL 21.947 1.366 12 7 "[ . **1 + *-* * 2]"
1 35 ILE 29.377 1.018 9 8 "[* * **+1 * *-]"
1 36 SER 20.737 0.956 9 11 "[* * . **+1** *.* * -]"
1 37 SER 6.141 0.977 5 3 "[ + * - . 2]"
1 38 LEU 69.697 1.613 11 19 "[******* **+*****-***]"
1 39 GLU 49.450 1.376 16 19 [****.*********-+****]
1 40 LYS 7.482 1.163 3 8 "[**+ .* * 1 **. -2]"
1 41 TYR 8.310 0.992 5 5 "[* + 1* .* - 2]"
1 42 PRO 99.180 1.613 11 20 [**********+***-*****]
1 43 ILE 66.159 1.828 19 18 "[*********1- ******+*]"
1 44 THR 20.712 1.917 1 9 "[+ *** 1* * *-*2]"
1 45 LYS 31.453 1.825 20 15 "[ *.** ********-**+]"
1 46 GLU 5.078 0.951 1 5 "[+ * - 1 *. *2]"
1 47 ALA 16.988 1.003 18 7 "[-* . *1* * . *+ 2]"
1 48 LEU 46.728 1.828 19 17 "[***** ****-* ** **+*]"
1 49 GLU 5.676 0.629 2 4 "[ + * *1 . -2]"
1 50 GLU 5.300 0.903 13 2 "[ . -1 + . 2]"
1 51 THR 33.811 1.339 4 9 "[* +.** -* *.* * 2]"
1 52 ARG 14.200 0.969 18 5 "[ * . -1* . *+ 2]"
1 53 LEU 16.776 1.550 20 7 "[ -. * 1 *** *+]"
1 54 GLY 6.965 0.789 1 1 "[+ . 1 . 2]"
1 55 LYS 12.975 0.608 3 13 "[**+*.***-* **.* *2]"
1 56 LEU 25.083 1.492 17 19 [****.***-*******+***]
1 57 ILE 57.416 1.673 1 20 [+***-***************]
1 58 ASN 38.921 1.753 20 19 "[*** **********-****+]"
1 59 ASP 33.680 1.216 15 18 "[******* ***-**+ ****]"
1 60 VAL 64.155 1.913 7 20 [******+*-***********]
1 61 ARG 78.864 1.868 19 20 [***********-******+*]
1 62 LYS 9.641 0.895 20 6 "[* . 1 * * - *+]"
1 63 LYS 80.581 1.903 20 19 "[*************** -**+]"
1 64 THR 95.966 1.913 7 20 [*-****+*************]
1 65 LYS 26.920 1.675 18 19 "[*************** *+*-]"
1 66 ASN 40.485 1.191 7 16 "[******+* *** ** ** *]"
1 67 GLU 7.655 1.215 4 4 "[ +. * - . *]"
1 68 GLU 16.586 1.841 16 8 "[ ***. * - .+ * *]"
1 69 LEU 29.135 1.572 16 13 "[ -**. * **** *+ ***]"
1 70 ALA 75.028 1.675 18 20 [******-**********+**]
1 71 LYS 17.713 1.841 16 3 "[ * . 1 .+ - 2]"
1 72 ARG 20.513 0.896 1 7 "[+* * 1 -* ** 2]"
1 73 ALA 62.406 1.868 19 19 "[** *********-*****+*]"
1 74 LYS 11.007 0.697 15 4 "[ *. 1 + - *]"
1 75 LYS 34.397 1.718 14 12 "[****- * 1* *+* * *]"
1 76 LEU 105.713 1.817 2 19 "[*+*******-******* **]"
1 77 LEU 43.211 1.673 1 19 "[+***** *-***********]"
1 78 ARG 20.379 1.718 14 12 "[*** * ***1* *+*- 2]"
1 79 SER 1.792 0.421 1 0 "[ . 1 . 2]"
1 80 TRP 242.532 1.833 18 20 [**-**************+**]
1 81 GLN 11.952 1.098 11 5 "[ .** 1+ * * 2]"
1 82 LYS 111.217 1.880 17 20 [************-***+***]
1 83 LEU 50.417 1.917 1 17 "[+*-*.******** * ****]"
1 84 ILE 16.576 1.461 8 10 "[* .**+*1- *** * 2]"
1 85 GLU 37.283 1.847 13 19 "[*** ****-***+*******]"
1 86 PRO 0.018 0.010 20 0 "[ . 1 . 2]"
1 87 ALA 52.167 1.880 17 14 "[** *****-** * .*+ *2]"
1 88 HIS 83.813 1.860 3 19 "[**+*** *********-***]"
1 89 GLN 4.344 1.220 10 2 "[ . +* . 2]"
1 90 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 GLU 38.194 1.860 3 17 "[* +*** - ***********]"
1 92 ALA 6.711 0.625 4 7 "[* +* - 1 * ** 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 66 ASN QB 1 67 GLU H . . 5.140 3.751 3.673 3.900 . 0 0 "[ . 1 . 2]" 1
2 1 66 ASN H 1 67 GLU H 5.190 . 5.190 4.347 4.165 4.408 . 0 0 "[ . 1 . 2]" 1
3 1 66 ASN HA 1 67 GLU H 3.290 . 3.290 2.188 2.147 2.236 . 0 0 "[ . 1 . 2]" 1
4 1 67 GLU H 1 67 GLU QB 3.460 . 3.460 2.364 2.210 2.547 . 0 0 "[ . 1 . 2]" 1
5 1 67 GLU H 1 70 ALA MB 5.360 . 5.360 5.004 4.478 5.781 0.421 2 0 "[ . 1 . 2]" 1
6 1 23 SER H 1 24 ASN H 3.460 . 3.460 2.750 2.636 2.854 . 0 0 "[ . 1 . 2]" 1
7 1 23 SER H 1 24 ASN QB 5.470 . 5.470 5.063 4.816 5.275 . 0 0 "[ . 1 . 2]" 1
8 1 22 GLN HB2 1 23 SER H 4.390 . 4.390 4.174 3.768 4.537 0.147 16 0 "[ . 1 . 2]" 1
9 1 22 GLN HB3 1 23 SER H 4.400 . 4.400 4.095 3.602 4.489 0.089 9 0 "[ . 1 . 2]" 1
10 1 19 ILE MD 1 23 SER H 4.600 . 4.600 3.753 3.001 4.831 0.231 5 0 "[ . 1 . 2]" 1
11 1 66 ASN QD 1 67 GLU H 5.500 . 5.500 4.320 2.542 4.902 . 0 0 "[ . 1 . 2]" 1
12 1 20 ASP HA 1 23 SER H 5.500 . 5.500 5.007 4.630 5.274 . 0 0 "[ . 1 . 2]" 1
13 1 67 GLU H 1 68 GLU QG 5.500 . 5.500 4.274 4.030 4.570 . 0 0 "[ . 1 . 2]" 1
14 1 42 PRO QB 1 80 TRP HE1 5.500 . 5.500 2.461 1.803 3.563 . 0 0 "[ . 1 . 2]" 1
15 1 77 LEU HA 1 80 TRP HE1 5.500 . 5.500 4.882 4.123 5.561 0.061 15 0 "[ . 1 . 2]" 1
16 1 48 LEU QD 1 80 TRP HE1 5.500 . 5.500 5.098 4.161 5.892 0.392 4 0 "[ . 1 . 2]" 1
17 1 43 ILE H 1 80 TRP HE1 4.850 . 4.850 2.892 2.168 3.672 . 0 0 "[ . 1 . 2]" 1
18 1 43 ILE HA 1 80 TRP HE1 5.500 . 5.500 5.173 4.043 6.105 0.605 20 3 "[ . 1 * . - +]" 1
19 1 43 ILE HB 1 80 TRP HE1 4.830 . 4.830 3.959 2.199 5.380 0.550 18 1 "[ . 1 . + 2]" 1
20 1 38 LEU QD 1 80 TRP HE1 5.250 . 5.250 4.805 3.137 5.828 0.578 9 1 "[ . +1 . 2]" 1
21 1 76 LEU QD 1 80 TRP HE1 3.910 . 3.910 4.025 2.094 5.715 1.805 14 9 "[*** .* * - * +. *2]" 1
22 1 79 SER QB 1 80 TRP HE1 5.500 . 5.500 3.680 3.365 3.913 . 0 0 "[ . 1 . 2]" 1
23 1 80 TRP HA 1 80 TRP HE1 5.500 . 5.500 4.970 4.825 5.185 . 0 0 "[ . 1 . 2]" 1
24 1 43 ILE MG 1 80 TRP HE1 5.500 . 5.500 5.111 3.416 6.341 0.841 18 1 "[ . 1 . + 2]" 1
25 1 26 ARG H 1 27 ASN QB 5.500 . 5.500 4.527 4.341 4.832 . 0 0 "[ . 1 . 2]" 1
26 1 24 ASN QB 1 26 ARG H 5.500 . 5.500 5.200 4.402 5.825 0.325 13 0 "[ . 1 . 2]" 1
27 1 26 ARG H 1 27 ASN HA 5.500 . 5.500 4.902 4.681 5.192 . 0 0 "[ . 1 . 2]" 1
28 1 19 ILE HA 1 26 ARG H 3.970 . 3.970 2.405 1.857 3.279 . 0 0 "[ . 1 . 2]" 1
29 1 26 ARG H 1 26 ARG QB . . 3.860 2.410 2.226 2.591 . 0 0 "[ . 1 . 2]" 1
30 1 25 ILE MG 1 26 ARG H 4.250 . 4.250 3.034 2.675 3.458 . 0 0 "[ . 1 . 2]" 1
31 1 26 ARG H 1 26 ARG QD 5.500 . 5.500 4.227 2.918 4.956 . 0 0 "[ . 1 . 2]" 1
32 1 54 GLY H 1 56 LEU H 5.070 . 5.070 4.218 4.087 4.414 . 0 0 "[ . 1 . 2]" 1
33 1 52 ARG HA 1 54 GLY H 4.320 . 4.320 3.017 2.646 3.259 . 0 0 "[ . 1 . 2]" 1
34 1 53 LEU HA 1 54 GLY H 3.450 . 3.450 3.369 3.301 3.442 . 0 0 "[ . 1 . 2]" 1
35 1 54 GLY H 1 55 LYS QB 4.680 . 4.680 4.438 4.270 4.571 . 0 0 "[ . 1 . 2]" 1
36 1 48 LEU QB 1 54 GLY H 4.580 . 4.580 4.369 2.962 5.369 0.789 1 1 "[+ . 1 . 2]" 1
37 1 53 LEU QD 1 54 GLY H 5.500 . 5.500 4.193 3.782 4.419 . 0 0 "[ . 1 . 2]" 1
38 1 48 LEU QD 1 54 GLY H . . 4.590 3.101 2.452 3.964 . 0 0 "[ . 1 . 2]" 1
39 1 52 ARG HB3 1 54 GLY H 5.500 . 5.500 4.531 3.891 5.241 . 0 0 "[ . 1 . 2]" 1
40 1 53 LEU QB 1 54 GLY H 5.500 . 5.500 3.275 3.032 3.419 . 0 0 "[ . 1 . 2]" 1
41 1 28 MET H 1 30 ALA MB 5.500 . 5.500 4.978 4.807 5.158 . 0 0 "[ . 1 . 2]" 1
42 1 27 ASN QB 1 28 MET H 5.500 . 5.500 3.812 3.501 4.014 . 0 0 "[ . 1 . 2]" 1
43 1 65 LYS H 1 66 ASN H 5.500 . 5.500 2.795 2.459 3.091 . 0 0 "[ . 1 . 2]" 1
44 1 65 LYS H 1 66 ASN QB 5.500 . 5.500 4.884 4.519 5.251 . 0 0 "[ . 1 . 2]" 1
45 1 28 MET H 1 31 VAL HB 5.500 . 5.500 5.795 4.918 7.327 1.827 19 7 "[ *. * 1- * . * +*]" 1
46 1 64 THR H 1 65 LYS H 5.500 . 5.500 4.631 4.569 4.668 . 0 0 "[ . 1 . 2]" 1
47 1 64 THR HB 1 65 LYS H 5.500 . 5.500 3.888 3.685 4.144 . 0 0 "[ . 1 . 2]" 1
48 1 65 LYS H 1 70 ALA HA 5.500 . 5.500 6.799 5.945 7.175 1.675 18 19 "[************-** *+**]" 1
49 1 51 THR H 1 53 LEU H 4.510 . 4.510 3.793 3.429 4.122 . 0 0 "[ . 1 . 2]" 1
50 1 47 ALA HA 1 51 THR H 4.710 . 4.710 3.399 2.452 4.129 . 0 0 "[ . 1 . 2]" 1
51 1 48 LEU HA 1 51 THR H 4.230 . 4.230 4.339 3.834 4.735 0.505 9 1 "[ . +1 . 2]" 1
52 1 12 ARG QD 1 51 THR H 5.500 . 5.500 5.423 4.901 5.955 0.455 1 0 "[ . 1 . 2]" 1
53 1 50 GLU HB3 1 51 THR H 3.820 . 3.820 2.394 2.214 2.677 . 0 0 "[ . 1 . 2]" 1
54 1 47 ALA MB 1 51 THR H 4.760 . 4.760 4.075 3.619 4.545 . 0 0 "[ . 1 . 2]" 1
55 1 51 THR H 1 51 THR MG 3.740 . 3.740 2.909 2.316 3.850 0.110 3 0 "[ . 1 . 2]" 1
56 1 51 THR H 1 53 LEU QD 5.260 . 5.260 3.920 2.946 4.667 . 0 0 "[ . 1 . 2]" 1
57 1 50 GLU HB2 1 51 THR H 3.790 . 3.790 3.785 3.632 3.910 0.120 5 0 "[ . 1 . 2]" 1
58 1 3 ALA MB 1 4 ALA H 5.500 . 5.500 2.526 1.824 3.726 . 0 0 "[ . 1 . 2]" 1
59 1 43 ILE H 1 53 LEU QD 5.500 . 5.500 5.571 4.823 6.109 0.609 14 2 "[ -. 1 +. 2]" 1
60 1 43 ILE H 1 80 TRP HZ2 4.780 . 4.780 2.714 2.050 3.492 . 0 0 "[ . 1 . 2]" 1
61 1 42 PRO QB 1 43 ILE H 4.650 . 4.650 3.151 2.911 3.334 . 0 0 "[ . 1 . 2]" 1
62 1 43 ILE H 1 43 ILE HB 3.590 . 3.590 2.519 2.356 2.642 . 0 0 "[ . 1 . 2]" 1
63 1 43 ILE H 1 43 ILE HG12 4.410 . 4.410 3.402 2.056 3.936 . 0 0 "[ . 1 . 2]" 1
64 1 43 ILE H 1 43 ILE HG13 3.980 . 3.980 2.432 1.889 3.709 . 0 0 "[ . 1 . 2]" 1
65 1 43 ILE H 1 43 ILE MG 3.730 . 3.730 3.775 3.735 3.834 0.104 18 0 "[ . 1 . 2]" 1
66 1 43 ILE H 1 43 ILE MD 4.660 . 4.660 3.317 1.784 3.813 . 0 0 "[ . 1 . 2]" 1
67 1 83 LEU HA 1 85 GLU H 4.460 . 4.460 4.480 4.083 4.813 0.353 20 0 "[ . 1 . 2]" 1
68 1 85 GLU H 1 87 ALA MB 5.060 . 5.060 5.172 4.277 6.807 1.747 9 5 "[ . * +- . * *2]" 1
69 1 42 PRO HA 1 43 ILE H 3.260 . 3.260 2.206 2.143 2.279 . 0 0 "[ . 1 . 2]" 1
70 1 42 PRO QD 1 43 ILE H 5.500 . 5.500 4.963 4.833 5.017 . 0 0 "[ . 1 . 2]" 1
71 1 82 LYS QD 1 85 GLU H 5.500 . 5.500 5.489 4.890 6.925 1.425 13 3 "[- . * 1 + . 2]" 1
72 1 6 ALA H 1 41 TYR QB 5.500 . 5.500 4.709 3.619 6.330 0.830 18 2 "[ . 1 .- + 2]" 1
73 1 43 ILE H 1 80 TRP HH2 5.500 . 5.500 4.465 3.518 5.210 . 0 0 "[ . 1 . 2]" 1
74 1 83 LEU H 1 85 GLU H 4.800 . 4.800 3.773 3.562 3.969 . 0 0 "[ . 1 . 2]" 1
75 1 84 ILE HA 1 85 GLU H 3.430 . 3.430 3.427 3.282 3.476 0.046 1 0 "[ . 1 . 2]" 1
76 1 84 ILE QG 1 85 GLU H 4.880 . 4.880 2.932 2.452 4.599 . 0 0 "[ . 1 . 2]" 1
77 1 8 PRO HA 1 43 ILE H 5.500 . 5.500 6.272 5.662 7.287 1.787 11 14 "[** **** -1+ * .*****]" 1
78 1 85 GLU H 1 87 ALA H 4.320 . 4.320 4.444 3.878 5.045 0.725 1 3 "[+ . -* . 2]" 1
79 1 84 ILE H 1 85 GLU H 3.630 . 3.630 2.180 2.100 2.294 . 0 0 "[ . 1 . 2]" 1
80 1 85 GLU H 1 85 GLU QG 4.210 . 4.210 2.916 2.319 4.100 . 0 0 "[ . 1 . 2]" 1
81 1 85 GLU H 1 85 GLU HB2 3.330 . 3.330 2.877 2.355 3.967 0.637 15 4 "[ * .- 1 + *]" 1
82 1 84 ILE MG 1 85 GLU H 4.250 . 4.250 4.100 2.544 4.436 0.186 8 0 "[ . 1 . 2]" 1
83 1 85 GLU H 1 88 HIS HD2 5.500 . 5.500 6.204 4.113 7.347 1.847 13 13 "[** * * ***+-.* ***]" 1
84 1 6 ALA H 1 10 GLN QE 5.500 . 5.500 4.758 1.798 6.362 0.862 6 2 "[ -+ 1 . 2]" 1
85 1 48 LEU QD 1 80 TRP H 5.500 . 5.500 4.758 4.391 5.232 . 0 0 "[ . 1 . 2]" 1
86 1 76 LEU HA 1 80 TRP H 5.500 . 5.500 5.335 4.418 5.983 0.483 15 0 "[ . 1 . 2]" 1
87 1 80 TRP H 1 80 TRP HE1 4.470 . 4.470 4.671 4.368 5.044 0.574 15 2 "[ . 1 + -2]" 1
88 1 79 SER H 1 80 TRP H 3.670 . 3.670 2.692 2.587 2.772 . 0 0 "[ . 1 . 2]" 1
89 1 80 TRP H 1 80 TRP HE3 4.970 . 4.970 4.961 4.443 5.559 0.589 20 1 "[ . 1 . +]" 1
90 1 80 TRP H 1 80 TRP HD1 4.330 . 4.330 2.786 1.924 3.449 . 0 0 "[ . 1 . 2]" 1
91 1 79 SER QB 1 80 TRP H 3.910 . 3.910 2.878 2.515 3.006 . 0 0 "[ . 1 . 2]" 1
92 1 77 LEU HA 1 80 TRP H 4.220 . 4.220 3.429 3.169 3.858 . 0 0 "[ . 1 . 2]" 1
93 1 80 TRP H 1 80 TRP HB3 3.610 . 3.610 3.651 3.595 3.691 0.081 15 0 "[ . 1 . 2]" 1
94 1 80 TRP H 1 80 TRP HB2 3.700 . 3.700 2.589 2.468 2.811 . 0 0 "[ . 1 . 2]" 1
95 1 80 TRP H 1 81 GLN HB2 5.110 . 5.110 4.538 4.299 4.841 . 0 0 "[ . 1 . 2]" 1
96 1 78 ARG QB 1 80 TRP H 5.100 . 5.100 4.604 4.486 4.887 . 0 0 "[ . 1 . 2]" 1
97 1 76 LEU QD 1 80 TRP H 5.500 . 5.500 5.536 4.000 6.595 1.095 1 8 "[+** . * 1 *-*.* 2]" 1
98 1 80 TRP H 1 81 GLN QG 5.500 . 5.500 3.844 3.544 4.194 . 0 0 "[ . 1 . 2]" 1
99 1 54 GLY H 1 55 LYS H 3.390 . 3.390 2.743 2.688 2.801 . 0 0 "[ . 1 . 2]" 1
100 1 55 LYS H 1 56 LEU H 3.420 . 3.420 2.721 2.646 2.807 . 0 0 "[ . 1 . 2]" 1
101 1 53 LEU HA 1 55 LYS H 4.080 . 4.080 3.720 3.587 3.925 . 0 0 "[ . 1 . 2]" 1
102 1 55 LYS H 1 57 ILE HB 5.500 . 5.500 5.503 5.094 5.973 0.473 15 0 "[ . 1 . 2]" 1
103 1 55 LYS H 1 55 LYS QB 3.030 . 3.030 2.222 2.100 2.287 . 0 0 "[ . 1 . 2]" 1
104 1 55 LYS H 1 56 LEU QD 5.040 . 5.040 5.346 3.550 5.648 0.608 3 13 "[**+*.***-* **.* *2]" 1
105 1 90 HIS H 1 91 GLU H 5.250 . 5.250 2.864 1.857 4.056 . 0 0 "[ . 1 . 2]" 1
106 1 53 LEU H 1 55 LYS H 5.280 . 5.280 4.627 4.364 4.852 . 0 0 "[ . 1 . 2]" 1
107 1 52 ARG HB3 1 55 LYS H 4.520 . 4.520 4.158 3.499 4.974 0.454 12 0 "[ . 1 . 2]" 1
108 1 91 GLU H 1 92 ALA MB 5.500 . 5.500 4.536 3.575 5.909 0.409 16 0 "[ . 1 . 2]" 1
109 1 85 GLU HA 1 87 ALA H 5.500 . 5.500 4.267 3.722 5.586 0.086 1 0 "[ . 1 . 2]" 1
110 1 88 HIS HA 1 91 GLU H 4.760 . 4.760 4.679 3.008 6.391 1.631 10 6 "[ .- * +** . * 2]" 1
111 1 82 LYS QG 1 87 ALA H 5.500 . 5.500 5.269 4.140 6.930 1.430 4 6 "[ +. * -* . * *2]" 1
112 1 89 GLN H 1 91 GLU H 5.270 . 5.270 4.458 3.031 6.490 1.220 10 2 "[ . +- . 2]" 1
113 1 82 LYS HA 1 87 ALA H 5.500 . 5.500 3.368 2.331 4.466 . 0 0 "[ . 1 . 2]" 1
114 1 82 LYS QB 1 87 ALA H 5.500 . 5.500 4.145 2.224 5.987 0.487 16 0 "[ . 1 . 2]" 1
115 1 82 LYS QD 1 87 ALA H 5.500 . 5.500 6.060 4.361 7.221 1.721 7 11 "[ * *.*+* ** - .** *2]" 1
116 1 89 GLN QB 1 91 GLU H 5.500 . 5.500 4.683 3.244 6.189 0.689 10 1 "[ . + . 2]" 1
117 1 91 GLU H 1 92 ALA HA 5.500 . 5.500 5.033 4.408 5.637 0.137 16 0 "[ . 1 . 2]" 1
118 1 20 ASP H 1 23 SER H 4.660 . 4.660 4.465 3.895 4.884 0.224 13 0 "[ . 1 . 2]" 1
119 1 20 ASP H 1 26 ARG QD 5.480 . 5.480 4.166 2.871 5.705 0.225 2 0 "[ . 1 . 2]" 1
120 1 20 ASP H 1 20 ASP QB 3.780 . 3.780 2.388 2.120 2.708 . 0 0 "[ . 1 . 2]" 1
121 1 19 ILE HB 1 20 ASP H 3.600 . 3.600 2.525 2.360 2.858 . 0 0 "[ . 1 . 2]" 1
122 1 19 ILE MG 1 20 ASP H 4.330 . 4.330 3.727 3.612 3.883 . 0 0 "[ . 1 . 2]" 1
123 1 25 ILE H 1 26 ARG H 4.830 . 4.830 4.427 4.162 4.577 . 0 0 "[ . 1 . 2]" 1
124 1 25 ILE H 1 63 LYS QD 5.500 . 5.500 4.226 2.568 5.799 0.299 11 0 "[ . 1 . 2]" 1
125 1 66 ASN H 1 70 ALA HA 5.500 . 5.500 6.204 5.644 6.691 1.191 7 15 "[******+* ** *- ** *]" 1
126 1 20 ASP H 1 26 ARG H 4.430 . 4.430 3.971 3.327 4.484 0.054 12 0 "[ . 1 . 2]" 1
127 1 20 ASP H 1 25 ILE H 5.440 . 5.440 5.259 4.731 5.828 0.388 8 0 "[ . 1 . 2]" 1
128 1 20 ASP H 1 22 GLN H 4.940 . 4.940 4.711 4.351 5.066 0.126 15 0 "[ . 1 . 2]" 1
129 1 19 ILE HA 1 20 ASP H 3.440 . 3.440 2.347 2.215 2.429 . 0 0 "[ . 1 . 2]" 1
130 1 20 ASP H 1 26 ARG HA 5.110 . 5.110 5.500 4.250 6.198 1.088 8 10 "[ ** +**** *- *]" 1
131 1 24 ASN HA 1 25 ILE H 3.140 . 3.140 2.270 2.159 2.408 . 0 0 "[ . 1 . 2]" 1
132 1 24 ASN QB 1 25 ILE H . . 3.830 2.791 2.450 3.166 . 0 0 "[ . 1 . 2]" 1
133 1 25 ILE H 1 25 ILE HB 3.280 . 3.280 2.500 2.378 2.581 . 0 0 "[ . 1 . 2]" 1
134 1 25 ILE H 1 25 ILE MG 3.750 . 3.750 3.784 3.747 3.819 0.069 15 0 "[ . 1 . 2]" 1
135 1 34 VAL H 1 35 ILE H 3.430 . 3.430 2.755 2.526 2.873 . 0 0 "[ . 1 . 2]" 1
136 1 32 LEU HA 1 34 VAL H 5.000 . 5.000 4.350 3.988 4.597 . 0 0 "[ . 1 . 2]" 1
137 1 31 VAL HA 1 34 VAL H 3.900 . 3.900 3.330 3.082 3.726 . 0 0 "[ . 1 . 2]" 1
138 1 34 VAL H 1 34 VAL HB 3.200 . 3.200 2.652 2.506 3.675 0.475 12 0 "[ . 1 . 2]" 1
139 1 33 GLU HB2 1 34 VAL H 3.660 . 3.660 2.649 2.480 2.934 . 0 0 "[ . 1 . 2]" 1
140 1 33 GLU HB3 1 34 VAL H 4.050 . 4.050 3.606 3.328 3.805 . 0 0 "[ . 1 . 2]" 1
141 1 34 VAL H 1 35 ILE HB 4.680 . 4.680 4.776 4.475 4.954 0.274 20 0 "[ . 1 . 2]" 1
142 1 30 ALA MB 1 34 VAL H 5.010 . 5.010 4.996 4.637 5.625 0.615 15 1 "[ . 1 + 2]" 1
143 1 34 VAL H 1 34 VAL QG 3.560 . 3.560 2.033 1.943 2.159 . 0 0 "[ . 1 . 2]" 1
144 1 34 VAL H 1 35 ILE MD 5.500 . 5.500 3.841 3.437 5.316 . 0 0 "[ . 1 . 2]" 1
145 1 31 VAL H 1 34 VAL H 5.500 . 5.500 4.992 4.759 5.394 . 0 0 "[ . 1 . 2]" 1
146 1 17 GLN QE 1 34 VAL H 5.500 . 5.500 5.093 3.679 5.963 0.463 17 0 "[ . 1 . 2]" 1
147 1 47 ALA H 1 48 LEU QB 5.470 . 5.470 4.469 4.154 4.890 . 0 0 "[ . 1 . 2]" 1
148 1 46 GLU H 1 47 ALA H 3.460 . 3.460 2.697 2.533 2.867 . 0 0 "[ . 1 . 2]" 1
149 1 44 THR HB 1 47 ALA H 3.810 . 3.810 3.271 2.555 4.813 1.003 18 1 "[ . 1 . + 2]" 1
150 1 44 THR HA 1 47 ALA H 5.120 . 5.120 4.984 4.620 5.332 0.212 2 0 "[ . 1 . 2]" 1
151 1 45 LYS HA 1 47 ALA H 5.040 . 5.040 4.465 4.114 4.770 . 0 0 "[ . 1 . 2]" 1
152 1 47 ALA H 1 48 LEU HA 5.100 . 5.100 5.262 5.110 5.409 0.309 6 0 "[ . 1 . 2]" 1
153 1 46 GLU QG 1 47 ALA H 4.710 . 4.710 3.267 1.959 4.594 . 0 0 "[ . 1 . 2]" 1
154 1 46 GLU QB 1 47 ALA H 3.770 . 3.770 2.913 2.322 3.589 . 0 0 "[ . 1 . 2]" 1
155 1 45 LYS QB 1 47 ALA H 5.320 . 5.320 4.925 4.558 5.354 0.034 2 0 "[ . 1 . 2]" 1
156 1 47 ALA H 1 47 ALA MB 3.280 . 3.280 2.238 2.221 2.262 . 0 0 "[ . 1 . 2]" 1
157 1 25 ILE H 1 25 ILE MD 5.500 . 5.500 3.409 3.166 3.742 . 0 0 "[ . 1 . 2]" 1
158 1 46 GLU H 1 48 LEU H 5.020 . 5.020 4.166 3.797 4.550 . 0 0 "[ . 1 . 2]" 1
159 1 48 LEU H 1 49 GLU H 3.770 . 3.770 2.819 2.729 2.973 . 0 0 "[ . 1 . 2]" 1
160 1 47 ALA H 1 48 LEU H 3.390 . 3.390 2.687 2.510 2.848 . 0 0 "[ . 1 . 2]" 1
161 1 44 THR HB 1 48 LEU H 5.310 . 5.310 5.009 3.871 6.462 1.152 19 2 "[ . 1 . -+2]" 1
162 1 46 GLU HA 1 48 LEU H 4.660 . 4.660 4.263 4.006 4.494 . 0 0 "[ . 1 . 2]" 1
163 1 45 LYS HA 1 48 LEU H 4.140 . 4.140 3.590 2.889 4.159 0.019 6 0 "[ . 1 . 2]" 1
164 1 48 LEU H 1 48 LEU QB 3.430 . 3.430 2.257 2.153 2.437 . 0 0 "[ . 1 . 2]" 1
165 1 47 ALA MB 1 48 LEU H 3.390 . 3.390 2.717 2.480 2.881 . 0 0 "[ . 1 . 2]" 1
166 1 48 LEU H 1 53 LEU QD 5.430 . 5.430 4.502 3.538 5.650 0.220 15 0 "[ . 1 . 2]" 1
167 1 43 ILE MG 1 48 LEU H 5.360 . 5.360 3.186 2.581 3.931 . 0 0 "[ . 1 . 2]" 1
168 1 48 LEU H 1 48 LEU QD . . 4.350 3.157 1.805 3.759 . 0 0 "[ . 1 . 2]" 1
169 1 66 ASN H 1 70 ALA H 5.160 . 5.160 4.708 4.099 5.104 . 0 0 "[ . 1 . 2]" 1
170 1 66 ASN H 1 69 LEU HB3 5.320 . 5.320 3.028 2.746 3.519 . 0 0 "[ . 1 . 2]" 1
171 1 65 LYS HB3 1 66 ASN H 4.860 . 4.860 2.894 2.141 4.137 . 0 0 "[ . 1 . 2]" 1
172 1 66 ASN H 1 70 ALA MB 5.030 . 5.030 5.079 4.454 5.512 0.482 2 0 "[ . 1 . 2]" 1
173 1 64 THR MG 1 66 ASN H 4.080 . 4.080 3.410 2.842 3.759 . 0 0 "[ . 1 . 2]" 1
174 1 66 ASN H 1 69 LEU QD 4.830 . 4.830 3.240 2.604 4.462 . 0 0 "[ . 1 . 2]" 1
175 1 66 ASN H 1 66 ASN QB 3.620 . 3.620 2.531 2.453 2.578 . 0 0 "[ . 1 . 2]" 1
176 1 65 LYS HB2 1 66 ASN H 4.350 . 4.350 3.591 2.258 3.988 . 0 0 "[ . 1 . 2]" 1
177 1 46 GLU QG 1 48 LEU H 5.500 . 5.500 5.189 4.178 6.066 0.566 14 2 "[ . - 1 +. 2]" 1
178 1 72 ARG H 1 73 ALA H 3.190 . 3.190 2.578 2.514 2.786 . 0 0 "[ . 1 . 2]" 1
179 1 72 ARG HB2 1 73 ALA H 3.610 . 3.610 3.390 2.489 4.081 0.471 8 0 "[ . 1 . 2]" 1
180 1 72 ARG HB3 1 73 ALA H 3.720 . 3.720 3.051 2.581 3.887 0.167 1 0 "[ . 1 . 2]" 1
181 1 70 ALA MB 1 73 ALA H 4.820 . 4.820 4.473 4.204 4.853 0.033 14 0 "[ . 1 . 2]" 1
182 1 73 ALA H 1 73 ALA MB 3.430 . 3.430 2.236 2.223 2.249 . 0 0 "[ . 1 . 2]" 1
183 1 69 LEU QD 1 73 ALA H 4.470 . 4.470 3.074 2.647 3.401 . 0 0 "[ . 1 . 2]" 1
184 1 73 ALA H 1 76 LEU H 5.390 . 5.390 5.360 4.678 5.688 0.298 9 0 "[ . 1 . 2]" 1
185 1 38 LEU H 1 40 LYS H 5.100 . 5.100 4.262 3.958 4.660 . 0 0 "[ . 1 . 2]" 1
186 1 38 LEU H 1 39 GLU QG 5.500 . 5.500 4.318 4.055 4.513 . 0 0 "[ . 1 . 2]" 1
187 1 38 LEU H 1 42 PRO HA 5.380 . 5.380 6.386 5.593 6.993 1.613 11 17 "[** *-** **+** ******]" 1
188 1 38 LEU H 1 39 GLU HB2 5.500 . 5.500 4.911 4.789 5.016 . 0 0 "[ . 1 . 2]" 1
189 1 35 ILE QG 1 38 LEU H 5.500 . 5.500 5.496 5.151 5.905 0.405 15 0 "[ . 1 . 2]" 1
190 1 36 SER H 1 38 LEU H 4.840 . 4.840 4.203 4.030 4.420 . 0 0 "[ . 1 . 2]" 1
191 1 37 SER QB 1 38 LEU H 4.430 . 4.430 2.751 2.429 3.509 . 0 0 "[ . 1 . 2]" 1
192 1 35 ILE HA 1 38 LEU H 4.160 . 4.160 3.388 3.174 3.845 . 0 0 "[ . 1 . 2]" 1
193 1 38 LEU H 1 38 LEU QB 3.870 . 3.870 2.252 2.110 2.447 . 0 0 "[ . 1 . 2]" 1
194 1 38 LEU H 1 38 LEU QD 4.010 . 4.010 2.773 2.024 3.689 . 0 0 "[ . 1 . 2]" 1
195 1 45 LYS H 1 48 LEU H 5.500 . 5.500 4.974 4.436 5.822 0.322 19 0 "[ . 1 . 2]" 1
196 1 45 LYS H 1 47 ALA H 4.850 . 4.850 4.327 3.808 4.762 . 0 0 "[ . 1 . 2]" 1
197 1 44 THR HB 1 45 LYS H 3.440 . 3.440 3.382 2.377 3.708 0.268 18 0 "[ . 1 . 2]" 1
198 1 44 THR HA 1 45 LYS H 3.170 . 3.170 2.405 2.327 2.488 . 0 0 "[ . 1 . 2]" 1
199 1 45 LYS H 1 46 GLU QB 5.500 . 5.500 4.812 4.334 5.309 . 0 0 "[ . 1 . 2]" 1
200 1 45 LYS H 1 45 LYS QB . . 3.460 2.429 2.139 2.930 . 0 0 "[ . 1 . 2]" 1
201 1 44 THR MG 1 45 LYS H 3.790 . 3.790 2.230 1.699 3.837 0.047 11 0 "[ . 1 . 2]" 1
202 1 45 LYS H 1 83 LEU QD 4.320 . 4.320 4.330 1.684 5.357 1.037 6 5 "[ .+* 1 * - *2]" 1
203 1 39 GLU H 1 41 TYR H 4.410 . 4.410 3.892 3.763 4.025 . 0 0 "[ . 1 . 2]" 1
204 1 40 LYS H 1 41 TYR H 3.370 . 3.370 2.237 2.180 2.367 . 0 0 "[ . 1 . 2]" 1
205 1 41 TYR H 1 41 TYR QE 5.500 . 5.500 5.133 4.779 5.660 0.160 4 0 "[ . 1 . 2]" 1
206 1 38 LEU HA 1 41 TYR H 4.330 . 4.330 3.098 2.814 3.520 . 0 0 "[ . 1 . 2]" 1
207 1 39 GLU HA 1 41 TYR H 5.500 . 5.500 4.409 4.278 4.635 . 0 0 "[ . 1 . 2]" 1
208 1 41 TYR H 1 42 PRO QD . . 3.620 3.475 3.167 3.779 0.159 4 0 "[ . 1 . 2]" 1
209 1 41 TYR H 1 41 TYR QB 3.560 . 3.560 2.718 2.622 2.820 . 0 0 "[ . 1 . 2]" 1
210 1 39 GLU HB2 1 41 TYR H 5.490 . 5.490 4.872 4.715 5.056 . 0 0 "[ . 1 . 2]" 1
211 1 40 LYS QB 1 41 TYR H 3.720 . 3.720 3.017 2.964 3.077 . 0 0 "[ . 1 . 2]" 1
212 1 40 LYS QG 1 41 TYR H 5.500 . 5.500 4.190 3.965 4.472 . 0 0 "[ . 1 . 2]" 1
213 1 38 LEU QD 1 41 TYR H 5.210 . 5.210 4.501 4.044 4.979 . 0 0 "[ . 1 . 2]" 1
214 1 11 ILE MD 1 41 TYR H 5.430 . 5.430 5.369 4.487 6.422 0.992 5 4 "[* + 1* . - 2]" 1
215 1 39 GLU HB3 1 41 TYR H 5.500 . 5.500 5.542 5.389 5.631 0.131 18 0 "[ . 1 . 2]" 1
216 1 45 LYS H 1 46 GLU HA 5.500 . 5.500 5.394 5.235 5.554 0.054 20 0 "[ . 1 . 2]" 1
217 1 76 LEU H 1 77 LEU H 3.800 . 3.800 2.663 2.616 2.749 . 0 0 "[ . 1 . 2]" 1
218 1 73 ALA HA 1 76 LEU H 4.050 . 4.050 3.399 3.041 3.707 . 0 0 "[ . 1 . 2]" 1
219 1 75 LYS QB 1 76 LEU H 3.550 . 3.550 2.718 2.400 3.515 . 0 0 "[ . 1 . 2]" 1
220 1 76 LEU H 1 78 ARG QG 4.620 . 4.620 4.961 4.641 5.490 0.870 9 5 "[* * * +1 .- 2]" 1
221 1 76 LEU H 1 76 LEU HB2 3.480 . 3.480 2.437 2.168 2.586 . 0 0 "[ . 1 . 2]" 1
222 1 76 LEU H 1 76 LEU HB3 3.540 . 3.540 3.248 2.429 3.612 0.072 10 0 "[ . 1 . 2]" 1
223 1 76 LEU H 1 76 LEU QD 3.700 . 3.700 2.777 1.833 3.775 0.075 18 0 "[ . 1 . 2]" 1
224 1 38 LEU QB 1 41 TYR H 5.500 . 5.500 4.680 4.409 4.884 . 0 0 "[ . 1 . 2]" 1
225 1 69 LEU H 1 71 LYS QD 5.500 . 5.500 5.226 4.256 7.072 1.572 16 3 "[ * . 1 .+ - 2]" 1
226 1 88 HIS QB 1 89 GLN H 5.500 . 5.500 3.313 1.917 4.048 . 0 0 "[ . 1 . 2]" 1
227 1 10 GLN QB 1 11 ILE H 5.330 . 5.330 3.031 2.683 3.634 . 0 0 "[ . 1 . 2]" 1
228 1 11 ILE H 1 12 ARG H 3.870 . 3.870 2.720 2.673 2.784 . 0 0 "[ . 1 . 2]" 1
229 1 11 ILE H 1 14 ARG H 5.500 . 5.500 5.037 4.596 5.611 0.111 8 0 "[ . 1 . 2]" 1
230 1 10 GLN H 1 11 ILE H 3.550 . 3.550 2.625 2.561 2.730 . 0 0 "[ . 1 . 2]" 1
231 1 8 PRO HA 1 11 ILE H 3.890 . 3.890 3.410 3.122 3.632 . 0 0 "[ . 1 . 2]" 1
232 1 9 GLN HA 1 11 ILE H 5.500 . 5.500 4.260 4.070 4.493 . 0 0 "[ . 1 . 2]" 1
233 1 11 ILE H 1 11 ILE HB 3.360 . 3.360 2.503 2.338 2.595 . 0 0 "[ . 1 . 2]" 1
234 1 11 ILE H 1 11 ILE MG 3.810 . 3.810 3.774 3.725 3.794 . 0 0 "[ . 1 . 2]" 1
235 1 11 ILE H 1 11 ILE MD 4.170 . 4.170 2.993 1.835 3.623 . 0 0 "[ . 1 . 2]" 1
236 1 68 GLU QG 1 69 LEU H 5.450 . 5.450 4.071 3.922 4.275 . 0 0 "[ . 1 . 2]" 1
237 1 38 LEU H 1 41 TYR H 5.500 . 5.500 4.560 4.467 4.765 . 0 0 "[ . 1 . 2]" 1
238 1 10 GLN QE 1 11 ILE H . . 5.360 4.164 3.372 4.908 . 0 0 "[ . 1 . 2]" 1
239 1 69 LEU H 1 70 ALA HA 5.500 . 5.500 5.256 5.129 5.331 . 0 0 "[ . 1 . 2]" 1
240 1 67 GLU H 1 69 LEU H 5.500 . 5.500 4.144 4.024 4.324 . 0 0 "[ . 1 . 2]" 1
241 1 66 ASN H 1 69 LEU H 5.480 . 5.480 4.333 4.016 4.754 . 0 0 "[ . 1 . 2]" 1
242 1 69 LEU H 1 70 ALA H 3.660 . 3.660 2.654 2.565 2.743 . 0 0 "[ . 1 . 2]" 1
243 1 66 ASN QD 1 69 LEU H . . 5.250 3.445 2.407 4.390 . 0 0 "[ . 1 . 2]" 1
244 1 66 ASN QB 1 69 LEU H 4.260 . 4.260 2.661 2.385 3.137 . 0 0 "[ . 1 . 2]" 1
245 1 68 GLU QB 1 69 LEU H 3.580 . 3.580 2.681 2.498 2.809 . 0 0 "[ . 1 . 2]" 1
246 1 69 LEU H 1 69 LEU HB3 3.510 . 3.510 2.634 2.543 2.762 . 0 0 "[ . 1 . 2]" 1
247 1 69 LEU H 1 69 LEU HB2 3.310 . 3.310 2.372 2.276 2.465 . 0 0 "[ . 1 . 2]" 1
248 1 69 LEU H 1 69 LEU QD 4.150 . 4.150 3.744 3.616 3.788 . 0 0 "[ . 1 . 2]" 1
249 1 64 THR MG 1 69 LEU H 4.910 . 4.910 4.710 4.182 5.478 0.568 13 1 "[ . 1 + . 2]" 1
250 1 76 LEU H 1 79 SER H 5.500 . 5.500 5.147 4.646 5.633 0.133 3 0 "[ . 1 . 2]" 1
251 1 76 LEU H 1 78 ARG QB 5.500 . 5.500 5.071 4.710 5.516 0.016 11 0 "[ . 1 . 2]" 1
252 1 32 LEU H 1 33 GLU H 3.400 . 3.400 2.783 2.697 2.858 . 0 0 "[ . 1 . 2]" 1
253 1 33 GLU H 1 33 GLU HB2 3.060 . 3.060 2.489 2.301 2.590 . 0 0 "[ . 1 . 2]" 1
254 1 33 GLU H 1 33 GLU HB3 3.510 . 3.510 3.606 3.560 3.634 0.124 2 0 "[ . 1 . 2]" 1
255 1 32 LEU HB2 1 33 GLU H 3.970 . 3.970 2.816 2.651 3.742 . 0 0 "[ . 1 . 2]" 1
256 1 32 LEU HB3 1 33 GLU H 4.230 . 4.230 3.691 2.608 3.888 . 0 0 "[ . 1 . 2]" 1
257 1 32 LEU QD 1 33 GLU H 4.610 . 4.610 4.133 3.446 4.218 . 0 0 "[ . 1 . 2]" 1
258 1 11 ILE H 1 12 ARG HB2 5.500 . 5.500 5.073 4.874 5.295 . 0 0 "[ . 1 . 2]" 1
259 1 31 VAL H 1 33 GLU H 4.460 . 4.460 4.172 3.993 4.483 0.023 15 0 "[ . 1 . 2]" 1
260 1 31 VAL HA 1 33 GLU H 4.910 . 4.910 4.201 4.075 4.415 . 0 0 "[ . 1 . 2]" 1
261 1 33 GLU H 1 33 GLU QG 3.530 . 3.530 2.291 2.078 2.689 . 0 0 "[ . 1 . 2]" 1
262 1 33 GLU H 1 34 VAL QG 4.490 . 4.490 3.990 3.727 4.159 . 0 0 "[ . 1 . 2]" 1
263 1 66 ASN QB 1 70 ALA H 4.630 . 4.630 4.388 4.011 4.838 0.208 4 0 "[ . 1 . 2]" 1
264 1 68 GLU QG 1 70 ALA H 5.500 . 5.500 5.629 5.384 5.989 0.489 12 0 "[ . 1 . 2]" 1
265 1 70 ALA H 1 71 LYS QD 5.500 . 5.500 4.472 3.504 6.695 1.195 16 1 "[ . 1 .+ 2]" 1
266 1 67 GLU H 1 70 ALA H 5.500 . 5.500 4.929 4.563 5.475 . 0 0 "[ . 1 . 2]" 1
267 1 70 ALA H 1 71 LYS H 3.070 . 3.070 2.802 2.715 2.861 . 0 0 "[ . 1 . 2]" 1
268 1 66 ASN HA 1 70 ALA H 5.500 . 5.500 5.555 5.119 5.994 0.494 2 0 "[ . 1 . 2]" 1
269 1 67 GLU HA 1 70 ALA H 3.670 . 3.670 3.354 2.951 3.988 0.318 2 0 "[ . 1 . 2]" 1
270 1 68 GLU QB 1 70 ALA H 4.680 . 4.680 4.718 4.591 4.946 0.266 18 0 "[ . 1 . 2]" 1
271 1 69 LEU HB3 1 70 ALA H 3.590 . 3.590 2.729 2.492 2.863 . 0 0 "[ . 1 . 2]" 1
272 1 70 ALA H 1 70 ALA MB 3.190 . 3.190 2.239 2.229 2.259 . 0 0 "[ . 1 . 2]" 1
273 1 64 THR MG 1 70 ALA H 4.040 . 4.040 3.252 2.731 3.801 . 0 0 "[ . 1 . 2]" 1
274 1 69 LEU QD 1 70 ALA H 4.290 . 4.290 3.445 3.325 3.652 . 0 0 "[ . 1 . 2]" 1
275 1 70 ALA H 1 73 ALA H 5.440 . 5.440 4.646 4.462 5.047 . 0 0 "[ . 1 . 2]" 1
276 1 59 ASP HB3 1 61 ARG H 4.780 . 4.780 5.141 4.761 5.554 0.774 20 7 "[* * .* 1 - . **+]" 1
277 1 58 ASN HA 1 61 ARG H 4.060 . 4.060 3.993 3.449 4.373 0.313 20 0 "[ . 1 . 2]" 1
278 1 60 VAL H 1 61 ARG H 3.370 . 3.370 2.628 2.475 2.761 . 0 0 "[ . 1 . 2]" 1
279 1 61 ARG H 1 61 ARG QB . . 3.640 2.225 2.116 2.281 . 0 0 "[ . 1 . 2]" 1
280 1 61 ARG H 1 73 ALA MB 4.830 . 4.830 6.064 5.198 6.698 1.868 19 19 "[** ****-**********+*]" 1
281 1 60 VAL QG 1 61 ARG H . . 4.950 2.243 2.111 2.413 . 0 0 "[ . 1 . 2]" 1
282 1 30 ALA MB 1 33 GLU H 5.500 . 5.500 4.574 4.330 4.914 . 0 0 "[ . 1 . 2]" 1
283 1 29 VAL HB 1 30 ALA H 5.470 . 5.470 3.566 2.537 4.032 . 0 0 "[ . 1 . 2]" 1
284 1 61 ARG H 1 64 THR HB 5.500 . 5.500 5.152 4.790 5.545 0.045 13 0 "[ . 1 . 2]" 1
285 1 61 ARG H 1 62 LYS HA 5.500 . 5.500 5.353 5.192 5.466 . 0 0 "[ . 1 . 2]" 1
286 1 58 ASN QB 1 61 ARG H 5.500 . 5.500 5.232 4.873 5.554 0.054 20 0 "[ . 1 . 2]" 1
287 1 49 GLU H 1 52 ARG H 5.500 . 5.500 4.773 4.490 5.207 . 0 0 "[ . 1 . 2]" 1
288 1 16 LEU HB3 1 18 ALA H 5.380 . 5.380 5.177 5.032 5.322 . 0 0 "[ . 1 . 2]" 1
289 1 58 ASN H 1 61 ARG H 5.500 . 5.500 5.065 4.721 5.523 0.023 7 0 "[ . 1 . 2]" 1
290 1 18 ALA H 1 19 ILE H 3.290 . 3.290 2.281 2.127 2.441 . 0 0 "[ . 1 . 2]" 1
291 1 18 ALA H 1 19 ILE HA 5.500 . 5.500 4.999 4.866 5.106 . 0 0 "[ . 1 . 2]" 1
292 1 15 LEU HA 1 18 ALA H 3.880 . 3.880 3.753 3.548 4.121 0.241 4 0 "[ . 1 . 2]" 1
293 1 18 ALA H 1 27 ASN QB 5.500 . 5.500 5.135 4.510 5.770 0.270 17 0 "[ . 1 . 2]" 1
294 1 17 GLN QG 1 18 ALA H 5.500 . 5.500 2.865 2.427 3.103 . 0 0 "[ . 1 . 2]" 1
295 1 18 ALA H 1 18 ALA MB 3.410 . 3.410 2.320 2.284 2.389 . 0 0 "[ . 1 . 2]" 1
296 1 18 ALA H 1 30 ALA MB 4.750 . 4.750 4.232 3.420 4.868 0.118 5 0 "[ . 1 . 2]" 1
297 1 18 ALA H 1 31 VAL QG 5.250 . 5.250 4.880 4.492 5.534 0.284 17 0 "[ . 1 . 2]" 1
298 1 16 LEU QD 1 18 ALA H 4.820 . 4.820 4.896 4.632 5.139 0.319 10 0 "[ . 1 . 2]" 1
299 1 17 GLN H 1 18 ALA H 3.330 . 3.330 2.560 2.480 2.780 . 0 0 "[ . 1 . 2]" 1
300 1 18 ALA H 1 19 ILE MG 5.100 . 5.100 4.125 3.829 4.348 . 0 0 "[ . 1 . 2]" 1
301 1 68 GLU H 1 70 ALA H 5.500 . 5.500 4.148 3.987 4.515 . 0 0 "[ . 1 . 2]" 1
302 1 18 ALA HA 1 30 ALA H 5.500 . 5.500 5.156 4.336 5.910 0.410 17 0 "[ . 1 . 2]" 1
303 1 27 ASN QB 1 30 ALA H . . 4.940 2.953 2.225 3.569 . 0 0 "[ . 1 . 2]" 1
304 1 27 ASN HA 1 30 ALA H 5.220 . 5.220 4.323 4.042 4.589 . 0 0 "[ . 1 . 2]" 1
305 1 18 ALA MB 1 30 ALA H 5.040 . 5.040 4.206 3.832 4.841 . 0 0 "[ . 1 . 2]" 1
306 1 69 LEU HA 1 72 ARG H 4.170 . 4.170 3.357 3.067 3.556 . 0 0 "[ . 1 . 2]" 1
307 1 70 ALA HA 1 72 ARG H 4.590 . 4.590 4.354 4.097 4.559 . 0 0 "[ . 1 . 2]" 1
308 1 72 ARG H 1 72 ARG HB3 3.320 . 3.320 2.963 2.286 3.615 0.295 16 0 "[ . 1 . 2]" 1
309 1 72 ARG H 1 73 ALA MB 4.910 . 4.910 4.242 4.167 4.423 . 0 0 "[ . 1 . 2]" 1
310 1 69 LEU QD 1 72 ARG H 4.820 . 4.820 4.079 3.588 4.511 . 0 0 "[ . 1 . 2]" 1
311 1 30 ALA H 1 33 GLU H 5.360 . 5.360 4.882 4.655 5.225 . 0 0 "[ . 1 . 2]" 1
312 1 30 ALA H 1 30 ALA MB 3.360 . 3.360 2.249 2.224 2.266 . 0 0 "[ . 1 . 2]" 1
313 1 29 VAL QG 1 30 ALA H 3.970 . 3.970 2.412 1.918 3.278 . 0 0 "[ . 1 . 2]" 1
314 1 13 ASP HA 1 15 LEU H 5.250 . 5.250 4.246 4.041 4.538 . 0 0 "[ . 1 . 2]" 1
315 1 48 LEU QD 1 49 GLU H . . 5.190 3.711 3.097 3.857 . 0 0 "[ . 1 . 2]" 1
316 1 30 ALA H 1 33 GLU QG 5.500 . 5.500 4.672 4.229 5.641 0.141 13 0 "[ . 1 . 2]" 1
317 1 15 LEU H 1 18 ALA H 5.500 . 5.500 5.233 4.909 5.662 0.162 16 0 "[ . 1 . 2]" 1
318 1 15 LEU H 1 17 GLN H 4.630 . 4.630 4.315 4.174 4.575 . 0 0 "[ . 1 . 2]" 1
319 1 15 LEU H 1 15 LEU QB . . 3.270 2.219 2.118 2.363 . 0 0 "[ . 1 . 2]" 1
320 1 48 LEU QB 1 49 GLU H . . 3.750 2.433 2.358 2.557 . 0 0 "[ . 1 . 2]" 1
321 1 48 LEU HG 1 49 GLU H 5.170 . 5.170 4.233 3.628 5.053 . 0 0 "[ . 1 . 2]" 1
322 1 77 LEU HA 1 81 GLN H 4.930 . 4.930 4.551 4.190 5.652 0.722 11 1 "[ . 1+ . 2]" 1
323 1 80 TRP HB3 1 81 GLN H 4.320 . 4.320 3.829 3.586 4.082 . 0 0 "[ . 1 . 2]" 1
324 1 14 ARG H 1 17 GLN H 5.160 . 5.160 5.260 4.879 5.908 0.748 12 3 "[ . 1 + *- 2]" 1
325 1 13 ASP QB 1 14 ARG H . . 4.030 2.567 2.367 2.779 . 0 0 "[ . 1 . 2]" 1
326 1 14 ARG H 1 15 LEU QB 4.640 . 4.640 4.421 4.265 4.675 0.035 15 0 "[ . 1 . 2]" 1
327 1 14 ARG H 1 34 VAL QG 5.220 . 5.220 4.426 3.984 5.358 0.138 5 0 "[ . 1 . 2]" 1
328 1 11 ILE HA 1 14 ARG H 4.220 . 4.220 3.482 3.101 3.736 . 0 0 "[ . 1 . 2]" 1
329 1 14 ARG H 1 14 ARG QB 3.620 . 3.620 2.364 2.185 2.564 . 0 0 "[ . 1 . 2]" 1
330 1 14 ARG H 1 15 LEU H 3.580 . 3.580 2.673 2.566 2.737 . 0 0 "[ . 1 . 2]" 1
331 1 12 ARG HA 1 15 LEU H 4.270 . 4.270 3.426 3.069 3.778 . 0 0 "[ . 1 . 2]" 1
332 1 11 ILE HA 1 15 LEU H 5.210 . 5.210 4.593 3.896 5.586 0.376 15 0 "[ . 1 . 2]" 1
333 1 14 ARG QB 1 15 LEU H 4.020 . 4.020 2.787 2.610 2.943 . 0 0 "[ . 1 . 2]" 1
334 1 15 LEU H 1 34 VAL QG . . 3.790 3.344 2.846 4.103 0.313 5 0 "[ . 1 . 2]" 1
335 1 47 ALA HA 1 49 GLU H 5.170 . 5.170 4.557 4.420 4.791 . 0 0 "[ . 1 . 2]" 1
336 1 79 SER H 1 81 GLN H 5.500 . 5.500 4.136 3.970 4.375 . 0 0 "[ . 1 . 2]" 1
337 1 79 SER HA 1 81 GLN H 5.500 . 5.500 4.479 3.987 4.845 . 0 0 "[ . 1 . 2]" 1
338 1 80 TRP HB2 1 81 GLN H 4.250 . 4.250 2.701 2.402 3.055 . 0 0 "[ . 1 . 2]" 1
339 1 81 GLN H 1 81 GLN QG 4.130 . 4.130 2.196 2.086 2.342 . 0 0 "[ . 1 . 2]" 1
340 1 81 GLN H 1 81 GLN HB2 3.360 . 3.360 2.500 2.445 2.594 . 0 0 "[ . 1 . 2]" 1
341 1 81 GLN H 1 81 GLN HB3 3.630 . 3.630 3.598 3.575 3.614 . 0 0 "[ . 1 . 2]" 1
342 1 12 ARG HA 1 14 ARG H 5.500 . 5.500 4.407 4.052 4.680 . 0 0 "[ . 1 . 2]" 1
343 1 67 GLU H 1 68 GLU H 3.780 . 3.780 2.751 2.684 2.836 . 0 0 "[ . 1 . 2]" 1
344 1 66 ASN QD 1 68 GLU H . . 4.530 3.410 2.663 4.007 . 0 0 "[ . 1 . 2]" 1
345 1 68 GLU H 1 69 LEU HA 5.350 . 5.350 5.269 5.164 5.361 0.011 7 0 "[ . 1 . 2]" 1
346 1 66 ASN QB 1 68 GLU H 4.860 . 4.860 3.871 3.533 4.200 . 0 0 "[ . 1 . 2]" 1
347 1 68 GLU H 1 68 GLU QG 3.770 . 3.770 2.161 1.918 2.408 . 0 0 "[ . 1 . 2]" 1
348 1 68 GLU H 1 68 GLU QB 2.950 . 2.950 2.480 2.384 2.572 . 0 0 "[ . 1 . 2]" 1
349 1 68 GLU H 1 70 ALA MB 4.760 . 4.760 4.837 4.572 5.345 0.585 2 1 "[ + . 1 . 2]" 1
350 1 71 LYS HB2 1 72 ARG H 4.910 . 4.910 2.698 2.492 3.676 . 0 0 "[ . 1 . 2]" 1
351 1 11 ILE MD 1 12 ARG H 5.500 . 5.500 4.466 3.890 4.866 . 0 0 "[ . 1 . 2]" 1
352 1 70 ALA H 1 72 ARG H 5.130 . 5.130 4.282 3.994 4.447 . 0 0 "[ . 1 . 2]" 1
353 1 12 ARG H 1 14 ARG H 5.180 . 5.180 4.293 3.989 4.576 . 0 0 "[ . 1 . 2]" 1
354 1 10 GLN H 1 12 ARG H 4.820 . 4.820 4.308 4.076 4.634 . 0 0 "[ . 1 . 2]" 1
355 1 12 ARG H 1 13 ASP HA 5.500 . 5.500 5.379 5.276 5.453 . 0 0 "[ . 1 . 2]" 1
356 1 10 GLN HA 1 12 ARG H 4.990 . 4.990 4.231 3.980 4.536 . 0 0 "[ . 1 . 2]" 1
357 1 12 ARG H 1 12 ARG QD 5.500 . 5.500 4.490 4.323 4.762 . 0 0 "[ . 1 . 2]" 1
358 1 12 ARG H 1 13 ASP QB 5.340 . 5.340 4.504 4.368 4.797 . 0 0 "[ . 1 . 2]" 1
359 1 12 ARG H 1 12 ARG HB2 3.510 . 3.510 2.511 2.369 2.685 . 0 0 "[ . 1 . 2]" 1
360 1 11 ILE HB 1 12 ARG H 3.450 . 3.450 2.728 2.505 2.937 . 0 0 "[ . 1 . 2]" 1
361 1 12 ARG H 1 12 ARG HB3 3.510 . 3.510 2.552 2.373 2.678 . 0 0 "[ . 1 . 2]" 1
362 1 12 ARG H 1 51 THR MG 5.180 . 5.180 5.063 3.410 6.519 1.339 4 7 "[ +.* ** -.* * 2]" 1
363 1 11 ILE MG 1 12 ARG H 4.120 . 4.120 3.392 2.927 3.634 . 0 0 "[ . 1 . 2]" 1
364 1 81 GLN H 1 84 ILE H 5.500 . 5.500 5.834 5.392 6.240 0.740 6 5 "[ .+* 1- * * 2]" 1
365 1 18 ALA MB 1 32 LEU H 5.500 . 5.500 4.871 4.415 5.304 . 0 0 "[ . 1 . 2]" 1
366 1 49 GLU H 1 52 ARG HA 5.500 . 5.500 5.505 5.012 6.129 0.629 2 2 "[ + . -1 . 2]" 1
367 1 47 ALA H 1 49 GLU H 4.790 . 4.790 4.574 4.224 5.046 0.256 5 0 "[ . 1 . 2]" 1
368 1 78 ARG QB 1 81 GLN H 5.500 . 5.500 4.654 4.444 4.917 . 0 0 "[ . 1 . 2]" 1
369 1 29 VAL H 1 32 LEU H 5.500 . 5.500 4.845 4.586 5.236 . 0 0 "[ . 1 . 2]" 1
370 1 28 MET HA 1 32 LEU H 4.540 . 4.540 4.224 3.903 4.669 0.129 16 0 "[ . 1 . 2]" 1
371 1 28 MET QG 1 32 LEU H 5.500 . 5.500 4.173 3.919 4.430 . 0 0 "[ . 1 . 2]" 1
372 1 78 ARG H 1 80 TRP H 5.260 . 5.260 4.185 3.999 4.440 . 0 0 "[ . 1 . 2]" 1
373 1 30 ALA H 1 32 LEU H 4.550 . 4.550 4.168 3.993 4.449 . 0 0 "[ . 1 . 2]" 1
374 1 29 VAL HA 1 32 LEU H 4.150 . 4.150 3.526 3.109 3.856 . 0 0 "[ . 1 . 2]" 1
375 1 31 VAL HB 1 32 LEU H 3.540 . 3.540 3.203 2.496 4.009 0.469 15 0 "[ . 1 . 2]" 1
376 1 32 LEU H 1 32 LEU HB2 3.480 . 3.480 2.512 2.244 2.661 . 0 0 "[ . 1 . 2]" 1
377 1 32 LEU H 1 32 LEU HB3 3.650 . 3.650 3.559 2.753 3.611 . 0 0 "[ . 1 . 2]" 1
378 1 31 VAL QG 1 32 LEU H 4.390 . 4.390 2.609 2.124 3.155 . 0 0 "[ . 1 . 2]" 1
379 1 32 LEU H 1 32 LEU QD 3.650 . 3.650 3.039 2.672 3.764 0.114 15 0 "[ . 1 . 2]" 1
380 1 33 GLU HB2 1 35 ILE H 5.110 . 5.110 5.223 4.869 5.464 0.354 13 0 "[ . 1 . 2]" 1
381 1 77 LEU QD 1 78 ARG H 5.500 . 5.500 3.887 3.670 4.101 . 0 0 "[ . 1 . 2]" 1
382 1 35 ILE H 1 36 SER HA 5.500 . 5.500 5.395 5.311 5.444 . 0 0 "[ . 1 . 2]" 1
383 1 33 GLU HA 1 35 ILE H 5.080 . 5.080 4.702 4.293 4.868 . 0 0 "[ . 1 . 2]" 1
384 1 32 LEU HA 1 35 ILE H 3.960 . 3.960 3.464 3.224 3.686 . 0 0 "[ . 1 . 2]" 1
385 1 31 VAL HA 1 35 ILE H 4.730 . 4.730 4.355 4.077 5.321 0.591 15 1 "[ . 1 + 2]" 1
386 1 76 LEU QD 1 78 ARG H 5.500 . 5.500 4.972 4.325 5.438 . 0 0 "[ . 1 . 2]" 1
387 1 35 ILE H 1 37 SER H 5.010 . 5.010 4.219 4.053 4.433 . 0 0 "[ . 1 . 2]" 1
388 1 34 VAL HB 1 35 ILE H 3.760 . 3.760 2.820 2.306 4.059 0.299 16 0 "[ . 1 . 2]" 1
389 1 35 ILE H 1 35 ILE HB 3.380 . 3.380 2.391 2.298 2.554 . 0 0 "[ . 1 . 2]" 1
390 1 35 ILE H 1 35 ILE QG 3.690 . 3.690 3.307 2.008 3.493 . 0 0 "[ . 1 . 2]" 1
391 1 34 VAL QG 1 35 ILE H . . 4.060 2.859 2.058 3.225 . 0 0 "[ . 1 . 2]" 1
392 1 35 ILE H 1 35 ILE MG 4.200 . 4.200 3.749 3.705 3.779 . 0 0 "[ . 1 . 2]" 1
393 1 35 ILE H 1 35 ILE MD 4.460 . 4.460 2.074 1.780 3.540 . 0 0 "[ . 1 . 2]" 1
394 1 75 LYS H 1 78 ARG H 5.300 . 5.300 4.925 4.526 5.520 0.220 11 0 "[ . 1 . 2]" 1
395 1 78 ARG H 1 78 ARG QB 3.110 . 3.110 2.449 2.311 2.569 . 0 0 "[ . 1 . 2]" 1
396 1 78 ARG H 1 81 GLN QG 5.500 . 5.500 4.216 3.884 4.962 . 0 0 "[ . 1 . 2]" 1
397 1 77 LEU H 1 78 ARG H 3.970 . 3.970 2.754 2.632 2.799 . 0 0 "[ . 1 . 2]" 1
398 1 75 LYS HA 1 78 ARG H 4.730 . 4.730 3.580 3.024 4.132 . 0 0 "[ . 1 . 2]" 1
399 1 78 ARG H 1 78 ARG QG 3.900 . 3.900 2.244 1.930 2.553 . 0 0 "[ . 1 . 2]" 1
400 1 77 LEU QB 1 78 ARG H 4.440 . 4.440 2.763 2.499 2.912 . 0 0 "[ . 1 . 2]" 1
401 1 57 ILE HB 1 59 ASP H 5.500 . 5.500 4.991 4.688 5.296 . 0 0 "[ . 1 . 2]" 1
402 1 57 ILE H 1 59 ASP H 4.490 . 4.490 4.130 3.777 4.479 . 0 0 "[ . 1 . 2]" 1
403 1 58 ASN H 1 59 ASP H 3.570 . 3.570 2.613 2.483 2.802 . 0 0 "[ . 1 . 2]" 1
404 1 59 ASP H 1 60 VAL H 3.520 . 3.520 2.719 2.646 2.826 . 0 0 "[ . 1 . 2]" 1
405 1 56 LEU HA 1 59 ASP H 3.900 . 3.900 3.266 2.967 3.647 . 0 0 "[ . 1 . 2]" 1
406 1 58 ASN QB 1 59 ASP H 3.740 . 3.740 2.550 2.365 2.805 . 0 0 "[ . 1 . 2]" 1
407 1 59 ASP H 1 59 ASP HB2 3.200 . 3.200 2.390 2.162 2.568 . 0 0 "[ . 1 . 2]" 1
408 1 59 ASP H 1 59 ASP HB3 3.460 . 3.460 2.985 2.411 3.607 0.147 3 0 "[ . 1 . 2]" 1
409 1 59 ASP H 1 60 VAL HB 5.030 . 5.030 5.100 4.938 5.309 0.279 4 0 "[ . 1 . 2]" 1
410 1 55 LYS QG 1 59 ASP H 5.230 . 5.230 4.196 3.532 5.473 0.243 12 0 "[ . 1 . 2]" 1
411 1 59 ASP H 1 60 VAL QG 4.750 . 4.750 3.931 3.771 4.033 . 0 0 "[ . 1 . 2]" 1
412 1 56 LEU QD 1 59 ASP H 5.500 . 5.500 4.354 3.672 4.956 . 0 0 "[ . 1 . 2]" 1
413 1 58 ASN H 1 59 ASP HB3 5.460 . 5.460 5.436 4.638 6.343 0.883 20 8 "[* * .* * * . *-+]" 1
414 1 57 ILE MG 1 58 ASN H 3.990 . 3.990 3.357 3.160 3.555 . 0 0 "[ . 1 . 2]" 1
415 1 57 ILE H 1 58 ASN H 3.610 . 3.610 2.788 2.660 2.863 . 0 0 "[ . 1 . 2]" 1
416 1 58 ASN H 1 58 ASN QD 5.500 . 5.500 3.663 1.988 4.529 . 0 0 "[ . 1 . 2]" 1
417 1 58 ASN H 1 58 ASN QB . . 3.340 2.345 2.190 2.565 . 0 0 "[ . 1 . 2]" 1
418 1 57 ILE HB 1 58 ASN H 3.880 . 3.880 2.567 2.422 2.724 . 0 0 "[ . 1 . 2]" 1
419 1 5 PRO QB 1 10 GLN H 5.500 . 5.500 4.913 4.109 6.120 0.620 8 2 "[ . + 1 - . 2]" 1
420 1 59 ASP H 1 60 VAL HA 5.500 . 5.500 5.313 5.228 5.403 . 0 0 "[ . 1 . 2]" 1
421 1 10 GLN H 1 10 GLN HG2 5.500 . 5.500 3.286 1.736 4.391 . 0 0 "[ . 1 . 2]" 1
422 1 20 ASP HA 1 24 ASN QD 5.500 . 5.500 4.833 4.363 5.479 . 0 0 "[ . 1 . 2]" 1
423 1 21 PRO HA 1 24 ASN QD 5.500 . 5.500 6.022 5.137 7.027 1.527 12 12 "[* ***- ** + * ** *]" 1
424 1 57 ILE QG 1 58 ASN H 5.500 . 5.500 4.017 3.877 4.102 . 0 0 "[ . 1 . 2]" 1
425 1 20 ASP QB 1 24 ASN QD 5.500 . 5.500 2.179 1.793 3.878 . 0 0 "[ . 1 . 2]" 1
426 1 22 GLN HB2 1 24 ASN QD . . 4.780 2.575 1.722 3.272 . 0 0 "[ . 1 . 2]" 1
427 1 22 GLN HB3 1 24 ASN QD . . 4.840 2.206 1.616 4.389 . 0 0 "[ . 1 . 2]" 1
428 1 24 ASN QD 1 63 LYS QE 5.500 . 5.500 6.423 5.051 6.980 1.480 11 14 "[****. -***+* *. ***]" 1
429 1 23 SER H 1 24 ASN QD 5.500 . 5.500 3.853 3.032 5.364 . 0 0 "[ . 1 . 2]" 1
430 1 9 GLN H 1 10 GLN H 3.520 . 3.520 2.743 2.635 2.813 . 0 0 "[ . 1 . 2]" 1
431 1 10 GLN H 1 10 GLN HG3 3.440 . 3.440 3.205 2.142 4.005 0.565 12 2 "[ .- 1 + . 2]" 1
432 1 22 GLN HA 1 24 ASN QD 5.500 . 5.500 4.124 3.774 5.854 0.354 12 0 "[ . 1 . 2]" 1
433 1 13 ASP H 1 14 ARG H 3.480 . 3.480 2.773 2.586 2.907 . 0 0 "[ . 1 . 2]" 1
434 1 10 GLN HA 1 13 ASP H 3.800 . 3.800 3.447 2.973 3.810 0.010 8 0 "[ . 1 . 2]" 1
435 1 12 ARG QD 1 13 ASP H 5.500 . 5.500 4.667 4.145 5.347 . 0 0 "[ . 1 . 2]" 1
436 1 13 ASP H 1 13 ASP QB 3.300 . 3.300 2.247 2.209 2.420 . 0 0 "[ . 1 . 2]" 1
437 1 12 ARG HB3 1 13 ASP H 3.790 . 3.790 2.597 2.433 2.834 . 0 0 "[ . 1 . 2]" 1
438 1 13 ASP H 1 16 LEU QD 4.720 . 4.720 4.236 3.895 4.471 . 0 0 "[ . 1 . 2]" 1
439 1 10 GLN H 1 10 GLN QE 5.500 . 5.500 2.674 1.754 3.675 . 0 0 "[ . 1 . 2]" 1
440 1 7 SER QB 1 10 GLN H 4.590 . 4.590 3.735 2.857 4.640 0.050 16 0 "[ . 1 . 2]" 1
441 1 10 GLN H 1 13 ASP H 5.500 . 5.500 5.186 4.585 5.790 0.290 8 0 "[ . 1 . 2]" 1
442 1 24 ASN QD 1 25 ILE H 5.500 . 5.500 5.196 4.980 5.420 . 0 0 "[ . 1 . 2]" 1
443 1 39 GLU H 1 39 GLU QG . . 3.770 2.274 2.150 2.370 . 0 0 "[ . 1 . 2]" 1
444 1 10 GLN H 1 12 ARG HB3 5.500 . 5.500 5.505 4.970 6.184 0.684 13 2 "[ - . 1 + . 2]" 1
445 1 72 ARG H 1 75 LYS H 5.500 . 5.500 5.590 4.731 5.959 0.459 18 0 "[ . 1 . 2]" 1
446 1 9 GLN HA 1 13 ASP H 5.500 . 5.500 5.074 4.105 6.187 0.687 8 3 "[ * . + 1 - 2]" 1
447 1 7 SER HA 1 10 GLN H 5.500 . 5.500 5.171 4.773 5.732 0.232 13 0 "[ . 1 . 2]" 1
448 1 37 SER QB 1 39 GLU H 5.500 . 5.500 4.752 4.506 5.153 . 0 0 "[ . 1 . 2]" 1
449 1 36 SER H 1 39 GLU H 5.220 . 5.220 4.844 4.696 5.079 . 0 0 "[ . 1 . 2]" 1
450 1 39 GLU H 1 42 PRO QD 5.500 . 5.500 6.269 5.750 6.876 1.376 16 16 "[** *.****1*** -+****]" 1
451 1 59 ASP HB2 1 60 VAL H 3.800 . 3.800 3.401 2.677 3.971 0.171 17 0 "[ . 1 . 2]" 1
452 1 59 ASP HB3 1 60 VAL H 3.980 . 3.980 2.984 2.503 3.672 . 0 0 "[ . 1 . 2]" 1
453 1 60 VAL H 1 60 VAL HB 3.210 . 3.210 2.541 2.490 2.635 . 0 0 "[ . 1 . 2]" 1
454 1 60 VAL H 1 61 ARG QB 4.780 . 4.780 4.343 4.164 4.500 . 0 0 "[ . 1 . 2]" 1
455 1 73 ALA H 1 75 LYS H 4.570 . 4.570 4.549 4.033 4.911 0.341 5 0 "[ . 1 . 2]" 1
456 1 75 LYS H 1 77 LEU QD 5.500 . 5.500 4.457 4.216 4.740 . 0 0 "[ . 1 . 2]" 1
457 1 58 ASN H 1 60 VAL H 5.440 . 5.440 4.362 4.235 4.594 . 0 0 "[ . 1 . 2]" 1
458 1 60 VAL H 1 64 THR HA 5.500 . 5.500 6.954 6.285 7.413 1.913 7 20 [-*****+*************] 1
459 1 75 LYS H 1 77 LEU H 4.880 . 4.880 4.255 4.031 4.416 . 0 0 "[ . 1 . 2]" 1
460 1 75 LYS H 1 76 LEU H 3.590 . 3.590 2.769 2.679 2.937 . 0 0 "[ . 1 . 2]" 1
461 1 74 LYS HB2 1 75 LYS H 3.620 . 3.620 3.925 3.742 4.056 0.436 9 0 "[ . 1 . 2]" 1
462 1 75 LYS H 1 75 LYS QB 2.980 . 2.980 2.356 2.128 2.745 . 0 0 "[ . 1 . 2]" 1
463 1 75 LYS H 1 78 ARG QG 4.450 . 4.450 4.544 4.152 4.970 0.520 11 1 "[ . 1+ . 2]" 1
464 1 75 LYS H 1 75 LYS QD 4.050 . 4.050 3.019 1.774 4.444 0.394 17 0 "[ . 1 . 2]" 1
465 1 75 LYS H 1 75 LYS QG 3.920 . 3.920 3.061 1.825 4.039 0.119 3 0 "[ . 1 . 2]" 1
466 1 75 LYS H 1 76 LEU QD 5.150 . 5.150 4.544 3.434 5.747 0.597 20 4 "[ *- 1 . * +]" 1
467 1 39 GLU H 1 42 PRO HA 5.500 . 5.500 6.132 5.429 6.592 1.092 9 16 "[** *.*- +**** ******]" 1
468 1 38 LEU QD 1 39 GLU H 5.050 . 5.050 4.076 3.892 4.298 . 0 0 "[ . 1 . 2]" 1
469 1 35 ILE MG 1 39 GLU H 5.480 . 5.480 4.075 3.792 4.478 . 0 0 "[ . 1 . 2]" 1
470 1 38 LEU QB 1 39 GLU H 5.080 . 5.080 2.807 2.578 2.996 . 0 0 "[ . 1 . 2]" 1
471 1 27 ASN HA 1 29 VAL H 4.570 . 4.570 3.955 3.633 4.297 . 0 0 "[ . 1 . 2]" 1
472 1 29 VAL H 1 30 ALA MB 4.780 . 4.780 4.455 4.384 4.545 . 0 0 "[ . 1 . 2]" 1
473 1 29 VAL H 1 29 VAL QG 3.150 . 3.150 2.061 1.939 2.154 . 0 0 "[ . 1 . 2]" 1
474 1 75 LYS H 1 76 LEU HA 5.500 . 5.500 5.378 5.279 5.502 0.002 9 0 "[ . 1 . 2]" 1
475 1 35 ILE HA 1 39 GLU H 4.630 . 4.630 4.280 3.946 4.641 0.011 3 0 "[ . 1 . 2]" 1
476 1 39 GLU H 1 39 GLU HB3 3.850 . 3.850 3.610 3.579 3.632 . 0 0 "[ . 1 . 2]" 1
477 1 39 GLU H 1 76 LEU QD 4.460 . 4.460 4.769 3.333 5.807 1.347 19 8 "[*** .* * 1 -*. +2]" 1
478 1 28 MET H 1 29 VAL H 5.030 . 5.030 2.772 2.660 2.883 . 0 0 "[ . 1 . 2]" 1
479 1 29 VAL H 1 31 VAL H 4.480 . 4.480 4.332 4.099 4.609 0.129 17 0 "[ . 1 . 2]" 1
480 1 29 VAL H 1 30 ALA H 3.220 . 3.220 2.781 2.718 2.884 . 0 0 "[ . 1 . 2]" 1
481 1 28 MET QG 1 29 VAL H 4.720 . 4.720 3.610 3.463 3.827 . 0 0 "[ . 1 . 2]" 1
482 1 29 VAL H 1 29 VAL HB 2.790 . 2.790 2.565 2.497 2.616 . 0 0 "[ . 1 . 2]" 1
483 1 47 ALA HA 1 50 GLU H 3.900 . 3.900 3.461 3.217 3.865 . 0 0 "[ . 1 . 2]" 1
484 1 39 GLU H 1 39 GLU HB2 3.590 . 3.590 2.489 2.403 2.577 . 0 0 "[ . 1 . 2]" 1
485 1 50 GLU H 1 52 ARG H 4.350 . 4.350 3.805 3.496 4.022 . 0 0 "[ . 1 . 2]" 1
486 1 50 GLU H 1 50 GLU HB3 2.990 . 2.990 2.502 2.341 2.627 . 0 0 "[ . 1 . 2]" 1
487 1 48 LEU QB 1 50 GLU H 5.500 . 5.500 4.667 4.493 4.775 . 0 0 "[ . 1 . 2]" 1
488 1 39 GLU H 1 40 LYS QG 5.200 . 5.200 4.372 4.024 5.004 . 0 0 "[ . 1 . 2]" 1
489 1 57 ILE HA 1 60 VAL H 5.500 . 5.500 3.973 3.738 4.251 . 0 0 "[ . 1 . 2]" 1
490 1 46 GLU H 1 83 LEU QD 5.500 . 5.500 4.100 1.802 5.379 . 0 0 "[ . 1 . 2]" 1
491 1 50 GLU H 1 51 THR H 3.430 . 3.430 2.827 2.655 2.934 . 0 0 "[ . 1 . 2]" 1
492 1 50 GLU H 1 50 GLU HB2 3.130 . 3.130 2.522 2.396 2.682 . 0 0 "[ . 1 . 2]" 1
493 1 47 ALA MB 1 50 GLU H 5.260 . 5.260 4.659 4.487 4.925 . 0 0 "[ . 1 . 2]" 1
494 1 44 THR HA 1 46 GLU H 5.500 . 5.500 4.624 4.177 4.989 . 0 0 "[ . 1 . 2]" 1
495 1 46 GLU H 1 47 ALA HA 5.500 . 5.500 5.301 5.118 5.437 . 0 0 "[ . 1 . 2]" 1
496 1 29 VAL H 1 32 LEU HG 5.500 . 5.500 4.834 4.401 7.323 1.823 15 1 "[ . 1 + 2]" 1
497 1 44 THR HB 1 46 GLU H 4.690 . 4.690 3.641 2.867 4.252 . 0 0 "[ . 1 . 2]" 1
498 1 45 LYS QB 1 46 GLU H 4.730 . 4.730 2.920 2.469 3.547 . 0 0 "[ . 1 . 2]" 1
499 1 44 THR MG 1 46 GLU H 5.070 . 5.070 2.773 1.961 4.954 . 0 0 "[ . 1 . 2]" 1
500 1 29 VAL H 1 30 ALA HA 5.500 . 5.500 5.380 5.320 5.467 . 0 0 "[ . 1 . 2]" 1
501 1 46 GLU H 1 49 GLU H 5.500 . 5.500 5.354 4.804 6.117 0.617 5 2 "[ + 1 . -2]" 1
502 1 48 LEU HA 1 50 GLU H 5.280 . 5.280 4.714 4.486 4.873 . 0 0 "[ . 1 . 2]" 1
503 1 71 LYS H 1 73 ALA H 4.350 . 4.350 4.032 3.916 4.276 . 0 0 "[ . 1 . 2]" 1
504 1 71 LYS H 1 71 LYS HB2 3.070 . 3.070 2.494 2.220 2.832 . 0 0 "[ . 1 . 2]" 1
505 1 71 LYS H 1 71 LYS QD 3.500 . 3.500 2.608 1.743 4.439 0.939 16 1 "[ . 1 .+ 2]" 1
506 1 70 ALA MB 1 71 LYS H 3.550 . 3.550 2.636 2.442 2.769 . 0 0 "[ . 1 . 2]" 1
507 1 71 LYS H 1 73 ALA MB 5.210 . 5.210 4.657 4.453 5.059 . 0 0 "[ . 1 . 2]" 1
508 1 69 LEU QD 1 71 LYS H 5.170 . 5.170 4.691 4.462 4.898 . 0 0 "[ . 1 . 2]" 1
509 1 50 GLU H 1 53 LEU H 5.470 . 5.470 5.323 4.917 5.707 0.237 5 0 "[ . 1 . 2]" 1
510 1 74 LYS H 1 76 LEU QD 5.500 . 5.500 5.175 4.235 6.197 0.697 15 4 "[ *. 1 + - *]" 1
511 1 27 ASN HA 1 31 VAL H 5.500 . 5.500 5.328 5.055 5.715 0.215 7 0 "[ . 1 . 2]" 1
512 1 74 LYS H 1 77 LEU QD 4.520 . 4.520 3.723 3.548 3.879 . 0 0 "[ . 1 . 2]" 1
513 1 73 ALA H 1 74 LYS H 3.420 . 3.420 2.686 2.594 2.758 . 0 0 "[ . 1 . 2]" 1
514 1 74 LYS H 1 75 LYS H 3.460 . 3.460 2.865 2.753 3.007 . 0 0 "[ . 1 . 2]" 1
515 1 74 LYS H 1 76 LEU H 4.500 . 4.500 4.356 4.124 4.654 0.154 9 0 "[ . 1 . 2]" 1
516 1 71 LYS HA 1 74 LYS H 3.720 . 3.720 3.658 3.080 4.065 0.345 1 0 "[ . 1 . 2]" 1
517 1 74 LYS H 1 74 LYS HB2 3.260 . 3.260 2.430 2.232 2.516 . 0 0 "[ . 1 . 2]" 1
518 1 74 LYS H 1 74 LYS HB3 3.240 . 3.240 2.609 2.477 2.804 . 0 0 "[ . 1 . 2]" 1
519 1 73 ALA MB 1 74 LYS H 3.810 . 3.810 2.749 2.438 2.840 . 0 0 "[ . 1 . 2]" 1
520 1 27 ASN QB 1 31 VAL H 5.380 . 5.380 3.776 3.382 4.168 . 0 0 "[ . 1 . 2]" 1
521 1 83 LEU H 1 84 ILE H 3.520 . 3.520 2.580 2.372 2.775 . 0 0 "[ . 1 . 2]" 1
522 1 80 TRP HA 1 83 LEU H 4.060 . 4.060 4.507 3.880 5.057 0.997 11 13 "[**-*.** *+** * ** 2]" 1
523 1 81 GLN HB2 1 83 LEU H 5.080 . 5.080 5.095 4.949 5.250 0.170 13 0 "[ . 1 . 2]" 1
524 1 82 LYS QB 1 83 LEU H 4.660 . 4.660 3.547 2.992 3.870 . 0 0 "[ . 1 . 2]" 1
525 1 82 LYS QD 1 83 LEU H 3.690 . 3.690 3.169 1.871 5.110 1.420 8 3 "[- . + 1 * . 2]" 1
526 1 83 LEU H 1 83 LEU QB 3.660 . 3.660 2.461 2.215 2.942 . 0 0 "[ . 1 . 2]" 1
527 1 83 LEU H 1 84 ILE QG 5.230 . 5.230 4.028 3.653 6.257 1.027 11 1 "[ . 1+ . 2]" 1
528 1 31 VAL H 1 32 LEU H 3.490 . 3.490 2.744 2.659 2.886 . 0 0 "[ . 1 . 2]" 1
529 1 30 ALA H 1 31 VAL H 3.450 . 3.450 2.711 2.588 2.881 . 0 0 "[ . 1 . 2]" 1
530 1 28 MET HA 1 31 VAL H 3.830 . 3.830 3.561 3.171 4.005 0.175 4 0 "[ . 1 . 2]" 1
531 1 31 VAL H 1 32 LEU HA 5.500 . 5.500 5.341 5.248 5.447 . 0 0 "[ . 1 . 2]" 1
532 1 29 VAL HA 1 31 VAL H 5.370 . 5.370 4.551 4.295 4.752 . 0 0 "[ . 1 . 2]" 1
533 1 31 VAL H 1 31 VAL HB 3.280 . 3.280 2.647 2.321 3.674 0.394 19 0 "[ . 1 . 2]" 1
534 1 30 ALA MB 1 31 VAL H 3.820 . 3.820 2.550 2.446 2.762 . 0 0 "[ . 1 . 2]" 1
535 1 31 VAL H 1 31 VAL QG 3.500 . 3.500 2.197 1.929 2.391 . 0 0 "[ . 1 . 2]" 1
536 1 18 ALA HA 1 31 VAL H 5.500 . 5.500 4.623 3.948 5.201 . 0 0 "[ . 1 . 2]" 1
537 1 78 ARG H 1 79 SER H 3.320 . 3.320 2.738 2.604 2.837 . 0 0 "[ . 1 . 2]" 1
538 1 79 SER H 1 79 SER QB 3.150 . 3.150 2.429 2.275 2.534 . 0 0 "[ . 1 . 2]" 1
539 1 76 LEU HA 1 79 SER H 4.180 . 4.180 3.547 3.165 3.817 . 0 0 "[ . 1 . 2]" 1
540 1 78 ARG QB 1 79 SER H 3.290 . 3.290 2.714 2.503 2.872 . 0 0 "[ . 1 . 2]" 1
541 1 78 ARG QG 1 79 SER H 4.460 . 4.460 4.171 3.992 4.444 . 0 0 "[ . 1 . 2]" 1
542 1 76 LEU QD 1 79 SER H 5.050 . 5.050 4.631 3.585 5.471 0.421 1 0 "[ . 1 . 2]" 1
543 1 79 SER H 1 80 TRP HD1 5.360 . 5.360 4.532 3.397 5.287 . 0 0 "[ . 1 . 2]" 1
544 1 77 LEU H 1 77 LEU QB 3.870 . 3.870 2.288 2.133 2.435 . 0 0 "[ . 1 . 2]" 1
545 1 77 LEU H 1 77 LEU HG 4.230 . 4.230 3.898 3.726 4.187 . 0 0 "[ . 1 . 2]" 1
546 1 77 LEU H 1 77 LEU QD 3.870 . 3.870 2.052 1.760 2.397 . 0 0 "[ . 1 . 2]" 1
547 1 76 LEU QD 1 77 LEU H 4.400 . 4.400 3.745 3.204 4.137 . 0 0 "[ . 1 . 2]" 1
548 1 72 ARG H 1 74 LYS H 5.020 . 5.020 4.096 3.920 4.316 . 0 0 "[ . 1 . 2]" 1
549 1 56 LEU H 1 57 ILE MD 5.500 . 5.500 5.281 5.180 5.427 . 0 0 "[ . 1 . 2]" 1
550 1 56 LEU H 1 57 ILE H 3.610 . 3.610 2.747 2.661 2.823 . 0 0 "[ . 1 . 2]" 1
551 1 56 LEU H 1 59 ASP H 5.500 . 5.500 4.870 4.517 5.339 . 0 0 "[ . 1 . 2]" 1
552 1 53 LEU HA 1 56 LEU H 3.920 . 3.920 3.146 2.899 3.414 . 0 0 "[ . 1 . 2]" 1
553 1 56 LEU H 1 56 LEU QB 3.120 . 3.120 2.233 2.190 2.398 . 0 0 "[ . 1 . 2]" 1
554 1 56 LEU H 1 56 LEU QD 3.790 . 3.790 3.535 1.974 3.774 . 0 0 "[ . 1 . 2]" 1
555 1 56 LEU H 1 59 ASP HB2 5.500 . 5.500 5.174 4.252 6.284 0.784 14 1 "[ . 1 +. 2]" 1
556 1 56 LEU H 1 57 ILE HB 5.500 . 5.500 4.998 4.859 5.117 . 0 0 "[ . 1 . 2]" 1
557 1 77 LEU H 1 78 ARG QG 5.500 . 5.500 4.354 4.011 4.721 . 0 0 "[ . 1 . 2]" 1
558 1 27 ASN H 1 31 VAL H 5.130 . 5.130 4.896 4.646 5.186 0.056 7 0 "[ . 1 . 2]" 1
559 1 27 ASN H 1 31 VAL HB 5.500 . 5.500 5.572 4.437 6.768 1.268 19 7 "[ - . **1 * .* +*]" 1
560 1 27 ASN H 1 30 ALA H 5.500 . 5.500 5.297 4.906 5.731 0.231 2 0 "[ . 1 . 2]" 1
561 1 25 ILE HA 1 27 ASN H 4.080 . 4.080 3.827 3.526 4.033 . 0 0 "[ . 1 . 2]" 1
562 1 26 ARG H 1 27 ASN H 3.480 . 3.480 2.267 2.027 2.548 . 0 0 "[ . 1 . 2]" 1
563 1 27 ASN H 1 28 MET H 5.390 . 5.390 4.002 3.819 4.165 . 0 0 "[ . 1 . 2]" 1
564 1 19 ILE HA 1 27 ASN H 4.470 . 4.470 3.917 3.418 4.387 . 0 0 "[ . 1 . 2]" 1
565 1 27 ASN H 1 27 ASN QB . . 3.880 2.605 2.528 2.703 . 0 0 "[ . 1 . 2]" 1
566 1 27 ASN H 1 28 MET QB 5.500 . 5.500 5.334 5.116 5.514 0.014 6 0 "[ . 1 . 2]" 1
567 1 26 ARG QB 1 27 ASN H . . 3.790 2.551 2.396 2.961 . 0 0 "[ . 1 . 2]" 1
568 1 18 ALA MB 1 27 ASN H 4.540 . 4.540 3.626 3.144 4.762 0.222 8 0 "[ . 1 . 2]" 1
569 1 27 ASN H 1 31 VAL QG 4.900 . 4.900 3.820 3.192 4.819 . 0 0 "[ . 1 . 2]" 1
570 1 25 ILE MG 1 27 ASN H 3.960 . 3.960 3.087 2.693 3.791 . 0 0 "[ . 1 . 2]" 1
571 1 37 SER H 1 40 LYS H 5.440 . 5.440 5.114 4.908 5.490 0.050 8 0 "[ . 1 . 2]" 1
572 1 37 SER H 1 39 GLU QG 5.500 . 5.500 5.052 4.514 5.445 . 0 0 "[ . 1 . 2]" 1
573 1 27 ASN H 1 28 MET HA 5.500 . 5.500 4.624 4.470 4.808 . 0 0 "[ . 1 . 2]" 1
574 1 37 SER H 1 37 SER QB 3.230 . 3.230 2.474 2.276 2.599 . 0 0 "[ . 1 . 2]" 1
575 1 34 VAL HA 1 37 SER H 3.950 . 3.950 3.534 3.185 3.856 . 0 0 "[ . 1 . 2]" 1
576 1 37 SER H 1 38 LEU QB 4.960 . 4.960 4.489 4.293 4.712 . 0 0 "[ . 1 . 2]" 1
577 1 37 SER H 1 38 LEU QD 5.500 . 5.500 4.464 3.677 5.537 0.037 12 0 "[ . 1 . 2]" 1
578 1 35 ILE MG 1 37 SER H 5.500 . 5.500 4.814 4.651 5.089 . 0 0 "[ . 1 . 2]" 1
579 1 19 ILE H 1 27 ASN H 5.500 . 5.500 5.158 4.692 5.766 0.266 8 0 "[ . 1 . 2]" 1
580 1 53 LEU H 1 54 GLY H 3.960 . 3.960 2.687 2.562 2.812 . 0 0 "[ . 1 . 2]" 1
581 1 51 THR HB 1 53 LEU H 4.350 . 4.350 4.134 3.339 4.895 0.545 7 1 "[ . + 1 . 2]" 1
582 1 48 LEU HA 1 53 LEU H 4.420 . 4.420 2.872 2.033 3.430 . 0 0 "[ . 1 . 2]" 1
583 1 12 ARG QD 1 53 LEU H 5.380 . 5.380 4.956 4.583 5.700 0.320 7 0 "[ . 1 . 2]" 1
584 1 52 ARG HB3 1 53 LEU H 5.070 . 5.070 4.402 4.057 4.542 . 0 0 "[ . 1 . 2]" 1
585 1 52 ARG HB2 1 53 LEU H 5.210 . 5.210 4.272 4.071 4.671 . 0 0 "[ . 1 . 2]" 1
586 1 53 LEU H 1 53 LEU QD 4.020 . 4.020 2.699 1.713 3.277 . 0 0 "[ . 1 . 2]" 1
587 1 43 ILE MD 1 53 LEU H 5.500 . 5.500 5.428 4.514 7.050 1.550 20 4 "[ . 1 - * *+]" 1
588 1 48 LEU QD 1 53 LEU H . . 4.880 3.650 2.937 4.684 . 0 0 "[ . 1 . 2]" 1
589 1 5 PRO QB 1 7 SER H 4.990 . 4.990 4.203 3.298 4.668 . 0 0 "[ . 1 . 2]" 1
590 1 6 ALA MB 1 7 SER H 4.930 . 4.930 2.104 1.850 2.802 . 0 0 "[ . 1 . 2]" 1
591 1 24 ASN H 1 24 ASN QD . . 4.180 2.497 1.602 3.847 . 0 0 "[ . 1 . 2]" 1
592 1 22 GLN H 1 24 ASN H 3.940 . 3.940 3.829 3.657 4.059 0.119 10 0 "[ . 1 . 2]" 1
593 1 19 ILE HA 1 24 ASN H 5.460 . 5.460 4.788 4.070 5.302 . 0 0 "[ . 1 . 2]" 1
594 1 20 ASP HA 1 24 ASN H 5.500 . 5.500 4.964 4.379 5.344 . 0 0 "[ . 1 . 2]" 1
595 1 23 SER QB 1 24 ASN H 4.970 . 4.970 3.853 3.707 4.083 . 0 0 "[ . 1 . 2]" 1
596 1 24 ASN H 1 24 ASN QB 3.460 . 3.460 2.811 2.504 3.083 . 0 0 "[ . 1 . 2]" 1
597 1 22 GLN HB2 1 24 ASN H 4.460 . 4.460 4.489 3.538 5.457 0.997 10 6 "[-** . +* .* 2]" 1
598 1 19 ILE HB 1 24 ASN H 4.460 . 4.460 3.393 2.718 4.272 . 0 0 "[ . 1 . 2]" 1
599 1 24 ASN H 1 63 LYS QD 5.500 . 5.500 5.160 4.472 6.667 1.167 1 2 "[+ . 1 . - 2]" 1
600 1 19 ILE MD 1 24 ASN H 5.500 . 5.500 4.264 3.360 5.341 . 0 0 "[ . 1 . 2]" 1
601 1 7 SER H 1 10 GLN QB 5.500 . 5.500 4.286 3.556 5.458 . 0 0 "[ . 1 . 2]" 1
602 1 24 ASN H 1 25 ILE H 4.700 . 4.700 4.534 4.453 4.601 . 0 0 "[ . 1 . 2]" 1
603 1 24 ASN H 1 63 LYS QG 5.500 . 5.500 6.178 4.710 7.403 1.903 20 11 "[** *.* * * *- * *+]" 1
604 1 27 ASN H 1 27 ASN QD 5.500 . 5.500 4.224 2.616 4.997 . 0 0 "[ . 1 . 2]" 1
605 1 20 ASP QB 1 24 ASN H 5.500 . 5.500 2.915 1.983 4.269 . 0 0 "[ . 1 . 2]" 1
606 1 34 VAL HB 1 37 SER H 5.500 . 5.500 5.571 5.184 5.887 0.387 15 0 "[ . 1 . 2]" 1
607 1 34 VAL QG 1 37 SER H 5.500 . 5.500 4.402 4.076 4.683 . 0 0 "[ . 1 . 2]" 1
608 1 49 GLU H 1 53 LEU H 5.500 . 5.500 5.203 4.648 5.654 0.154 19 0 "[ . 1 . 2]" 1
609 1 57 ILE H 1 80 TRP HZ3 5.150 . 5.150 4.155 3.510 4.744 . 0 0 "[ . 1 . 2]" 1
610 1 55 LYS H 1 57 ILE H 5.080 . 5.080 4.275 4.030 4.487 . 0 0 "[ . 1 . 2]" 1
611 1 57 ILE H 1 58 ASN HA 5.400 . 5.400 5.396 5.305 5.442 0.042 16 0 "[ . 1 . 2]" 1
612 1 57 ILE H 1 58 ASN QB 5.250 . 5.250 4.646 4.374 4.974 . 0 0 "[ . 1 . 2]" 1
613 1 56 LEU QB 1 57 ILE H 3.900 . 3.900 2.812 2.592 3.555 . 0 0 "[ . 1 . 2]" 1
614 1 57 ILE H 1 57 ILE QG 3.960 . 3.960 2.065 1.939 2.199 . 0 0 "[ . 1 . 2]" 1
615 1 56 LEU QD 1 57 ILE H 5.310 . 5.310 3.492 2.669 4.129 . 0 0 "[ . 1 . 2]" 1
616 1 57 ILE H 1 57 ILE HB 3.530 . 3.530 2.541 2.478 2.616 . 0 0 "[ . 1 . 2]" 1
617 1 58 ASN QD 1 59 ASP HA 5.500 . 5.500 4.495 2.737 5.998 0.498 5 0 "[ . 1 . 2]" 1
618 1 13 ASP H 1 16 LEU H 5.500 . 5.500 5.043 4.712 5.506 0.006 12 0 "[ . 1 . 2]" 1
619 1 39 GLU QG 1 40 LYS H . . 5.280 4.169 4.075 4.297 . 0 0 "[ . 1 . 2]" 1
620 1 39 GLU HB2 1 40 LYS H 4.390 . 4.390 2.793 2.615 2.994 . 0 0 "[ . 1 . 2]" 1
621 1 40 LYS H 1 40 LYS QG . . 4.490 2.490 2.213 2.856 . 0 0 "[ . 1 . 2]" 1
622 1 40 LYS H 1 76 LEU QD 5.430 . 5.430 5.576 4.461 6.593 1.163 3 8 "[**+ .* * 1 **. -2]" 1
623 1 40 LYS H 1 42 PRO QD 5.450 . 5.450 4.985 4.566 5.499 0.049 16 0 "[ . 1 . 2]" 1
624 1 39 GLU H 1 40 LYS H 3.750 . 3.750 2.703 2.619 2.842 . 0 0 "[ . 1 . 2]" 1
625 1 39 GLU HB3 1 40 LYS H 4.520 . 4.520 3.740 3.549 3.886 . 0 0 "[ . 1 . 2]" 1
626 1 40 LYS H 1 40 LYS QB 3.450 . 3.450 2.480 2.397 2.603 . 0 0 "[ . 1 . 2]" 1
627 1 40 LYS H 1 41 TYR HA 5.490 . 5.490 4.973 4.919 5.089 . 0 0 "[ . 1 . 2]" 1
628 1 58 ASN QD 1 59 ASP H 5.500 . 5.500 3.750 2.702 5.191 . 0 0 "[ . 1 . 2]" 1
629 1 13 ASP QB 1 16 LEU H 5.500 . 5.500 5.173 4.526 5.545 0.045 19 0 "[ . 1 . 2]" 1
630 1 55 LYS HA 1 58 ASN QD 5.500 . 5.500 4.217 2.189 5.869 0.369 13 0 "[ . 1 . 2]" 1
631 1 14 ARG H 1 16 LEU H 4.950 . 4.950 4.398 4.138 4.676 . 0 0 "[ . 1 . 2]" 1
632 1 16 LEU H 1 17 GLN QG . . 5.120 4.084 3.856 4.256 . 0 0 "[ . 1 . 2]" 1
633 1 16 LEU H 1 18 ALA H 4.940 . 4.940 4.139 3.928 4.356 . 0 0 "[ . 1 . 2]" 1
634 1 16 LEU H 1 17 GLN H 3.460 . 3.460 2.790 2.678 2.864 . 0 0 "[ . 1 . 2]" 1
635 1 13 ASP HA 1 16 LEU H 4.000 . 4.000 3.599 2.966 4.067 0.067 12 0 "[ . 1 . 2]" 1
636 1 12 ARG HA 1 16 LEU H 5.400 . 5.400 4.524 4.050 5.247 . 0 0 "[ . 1 . 2]" 1
637 1 15 LEU QB 1 16 LEU H 3.640 . 3.640 2.485 2.407 2.653 . 0 0 "[ . 1 . 2]" 1
638 1 16 LEU H 1 16 LEU HB2 3.550 . 3.550 2.343 2.225 2.542 . 0 0 "[ . 1 . 2]" 1
639 1 16 LEU H 1 16 LEU QD 3.450 . 3.450 2.293 1.871 3.128 . 0 0 "[ . 1 . 2]" 1
640 1 9 GLN H 1 11 ILE H 5.060 . 5.060 4.081 3.812 4.213 . 0 0 "[ . 1 . 2]" 1
641 1 9 GLN H 1 9 GLN QG . . 4.140 2.360 1.731 3.142 . 0 0 "[ . 1 . 2]" 1
642 1 9 GLN H 1 51 THR MG 4.610 . 4.610 4.652 3.441 5.937 1.327 16 5 "[ *. ** .+ - 2]" 1
643 1 16 LEU H 1 34 VAL QG 5.500 . 5.500 4.914 4.450 5.494 . 0 0 "[ . 1 . 2]" 1
644 1 9 GLN H 1 9 GLN QE 5.290 . 5.290 3.410 2.873 4.256 . 0 0 "[ . 1 . 2]" 1
645 1 7 SER HA 1 9 GLN H 4.160 . 4.160 4.046 3.688 4.374 0.214 4 0 "[ . 1 . 2]" 1
646 1 9 GLN H 1 9 GLN HB2 3.510 . 3.510 2.881 2.485 3.607 0.097 6 0 "[ . 1 . 2]" 1
647 1 9 GLN H 1 9 GLN HB3 3.610 . 3.610 3.364 2.553 3.657 0.047 4 0 "[ . 1 . 2]" 1
648 1 8 PRO QB 1 9 GLN H 3.980 . 3.980 2.934 2.701 3.351 . 0 0 "[ . 1 . 2]" 1
649 1 9 GLN H 1 47 ALA MB 5.500 . 5.500 4.264 3.278 5.141 . 0 0 "[ . 1 . 2]" 1
650 1 20 ASP HA 1 22 GLN H 4.970 . 4.970 4.088 3.769 4.405 . 0 0 "[ . 1 . 2]" 1
651 1 62 LYS H 1 63 LYS QG 5.500 . 5.500 5.068 4.049 6.021 0.521 13 2 "[ . 1 + . - 2]" 1
652 1 22 GLN H 1 24 ASN QB 5.470 . 5.470 5.251 4.600 5.786 0.316 1 0 "[ . 1 . 2]" 1
653 1 62 LYS H 1 63 LYS HA 4.980 . 4.980 5.065 4.998 5.111 0.131 16 0 "[ . 1 . 2]" 1
654 1 22 GLN H 1 24 ASN QD . . 3.720 3.178 2.403 4.280 0.560 12 1 "[ . 1 + . 2]" 1
655 1 20 ASP QB 1 22 GLN H 5.240 . 5.240 2.556 1.998 3.211 . 0 0 "[ . 1 . 2]" 1
656 1 21 PRO HB2 1 22 GLN H 4.430 . 4.430 3.060 2.849 3.637 . 0 0 "[ . 1 . 2]" 1
657 1 22 GLN H 1 23 SER H 3.250 . 3.250 2.730 2.545 2.866 . 0 0 "[ . 1 . 2]" 1
658 1 21 PRO HD3 1 22 GLN H 4.870 . 4.870 4.138 3.985 4.311 . 0 0 "[ . 1 . 2]" 1
659 1 22 GLN H 1 22 GLN HB2 3.500 . 3.500 2.446 2.148 2.729 . 0 0 "[ . 1 . 2]" 1
660 1 22 GLN H 1 22 GLN HB3 3.610 . 3.610 3.128 2.468 3.667 0.057 9 0 "[ . 1 . 2]" 1
661 1 82 LYS H 1 88 HIS HD2 5.500 . 5.500 6.368 3.496 7.356 1.856 2 15 "[*+-** * * ***** ***]" 1
662 1 9 GLN H 1 10 GLN QE . . 5.440 4.177 2.990 5.552 0.112 10 0 "[ . 1 . 2]" 1
663 1 7 SER QB 1 9 GLN H 5.500 . 5.500 3.164 2.661 3.782 . 0 0 "[ . 1 . 2]" 1
664 1 58 ASN HA 1 62 LYS H 5.500 . 5.500 4.902 4.215 5.894 0.394 7 0 "[ . 1 . 2]" 1
665 1 58 ASN QB 1 62 LYS H 5.500 . 5.500 5.689 4.705 6.395 0.895 20 5 "[* . 1 * - *+]" 1
666 1 81 GLN HB3 1 82 LYS H 5.500 . 5.500 4.079 3.983 4.163 . 0 0 "[ . 1 . 2]" 1
667 1 21 PRO HG3 1 22 GLN H 5.500 . 5.500 4.736 4.474 4.853 . 0 0 "[ . 1 . 2]" 1
668 1 21 PRO HD2 1 22 GLN H 3.570 . 3.570 3.090 2.831 3.407 . 0 0 "[ . 1 . 2]" 1
669 1 82 LYS H 1 82 LYS QD 5.500 . 5.500 3.572 1.975 4.693 . 0 0 "[ . 1 . 2]" 1
670 1 82 LYS H 1 88 HIS HA 5.500 . 5.500 5.677 4.278 6.828 1.328 1 6 "[+ * *-1 *. * 2]" 1
671 1 62 LYS H 1 63 LYS H 5.500 . 5.500 2.372 2.309 2.445 . 0 0 "[ . 1 . 2]" 1
672 1 82 LYS H 1 87 ALA H 5.500 . 5.500 5.804 4.688 7.196 1.696 7 7 "[ *- + * .** *2]" 1
673 1 82 LYS QD 1 84 ILE H 5.500 . 5.500 5.142 4.378 6.961 1.461 8 3 "[- . + 1 * . 2]" 1
674 1 80 TRP HA 1 82 LYS H 5.500 . 5.500 3.819 3.404 4.072 . 0 0 "[ . 1 . 2]" 1
675 1 63 LYS H 1 64 THR MG 4.820 . 4.820 4.006 3.753 4.173 . 0 0 "[ . 1 . 2]" 1
676 1 25 ILE MD 1 63 LYS H 5.480 . 5.480 5.354 4.862 6.385 0.905 17 2 "[ . 1 - . + 2]" 1
677 1 61 ARG H 1 63 LYS H 4.860 . 4.860 3.995 3.723 4.255 . 0 0 "[ . 1 . 2]" 1
678 1 63 LYS H 1 64 THR HB 5.260 . 5.260 4.640 4.489 4.830 . 0 0 "[ . 1 . 2]" 1
679 1 60 VAL HA 1 63 LYS H 5.190 . 5.190 3.267 2.815 3.887 . 0 0 "[ . 1 . 2]" 1
680 1 63 LYS H 1 63 LYS QE 5.500 . 5.500 3.605 2.330 5.545 0.045 17 0 "[ . 1 . 2]" 1
681 1 63 LYS H 1 63 LYS HB3 3.610 . 3.610 3.477 2.423 3.732 0.122 14 0 "[ . 1 . 2]" 1
682 1 63 LYS H 1 63 LYS HB2 3.320 . 3.320 2.414 2.162 2.785 . 0 0 "[ . 1 . 2]" 1
683 1 63 LYS H 1 63 LYS QG 4.270 . 4.270 3.393 2.650 4.066 . 0 0 "[ . 1 . 2]" 1
684 1 61 ARG QB 1 63 LYS H 5.500 . 5.500 4.649 4.342 4.837 . 0 0 "[ . 1 . 2]" 1
685 1 84 ILE H 1 85 GLU HA 5.500 . 5.500 4.902 4.776 4.983 . 0 0 "[ . 1 . 2]" 1
686 1 84 ILE H 1 85 GLU QG 5.500 . 5.500 4.118 3.312 5.662 0.162 14 0 "[ . 1 . 2]" 1
687 1 84 ILE H 1 84 ILE HB 3.790 . 3.790 3.617 2.549 3.757 . 0 0 "[ . 1 . 2]" 1
688 1 83 LEU HG 1 84 ILE H 5.260 . 5.260 3.811 2.576 5.510 0.250 18 0 "[ . 1 . 2]" 1
689 1 84 ILE H 1 84 ILE MG 4.350 . 4.350 2.805 2.017 3.826 . 0 0 "[ . 1 . 2]" 1
690 1 59 ASP H 1 63 LYS H 5.500 . 5.500 6.109 5.776 6.716 1.216 15 14 "[** ** * -1*** + ****]" 1
691 1 84 ILE H 1 84 ILE QG 4.270 . 4.270 2.132 1.804 4.063 . 0 0 "[ . 1 . 2]" 1
692 1 62 LYS QB 1 63 LYS H 5.500 . 5.500 2.947 2.708 3.728 . 0 0 "[ . 1 . 2]" 1
693 1 36 SER H 1 38 LEU QB 5.500 . 5.500 4.927 4.579 5.292 . 0 0 "[ . 1 . 2]" 1
694 1 34 VAL QG 1 36 SER H 5.500 . 5.500 4.569 4.184 4.803 . 0 0 "[ . 1 . 2]" 1
695 1 35 ILE MD 1 36 SER H 5.420 . 5.420 4.090 3.891 4.631 . 0 0 "[ . 1 . 2]" 1
696 1 36 SER H 1 37 SER H 3.430 . 3.430 2.760 2.651 2.851 . 0 0 "[ . 1 . 2]" 1
697 1 36 SER H 1 36 SER HB2 4.010 . 4.010 2.829 2.489 3.629 . 0 0 "[ . 1 . 2]" 1
698 1 36 SER H 1 36 SER HB3 3.310 . 3.310 2.556 2.475 2.631 . 0 0 "[ . 1 . 2]" 1
699 1 35 ILE HB 1 36 SER H 3.400 . 3.400 2.681 2.530 2.867 . 0 0 "[ . 1 . 2]" 1
700 1 35 ILE MG 1 36 SER H 4.150 . 4.150 3.025 2.886 3.509 . 0 0 "[ . 1 . 2]" 1
701 1 34 VAL H 1 36 SER H 4.370 . 4.370 4.208 3.958 4.535 0.165 15 0 "[ . 1 . 2]" 1
702 1 34 VAL HB 1 36 SER H 5.180 . 5.180 5.259 4.791 6.008 0.828 18 5 "[ . * 1 - *.* + 2]" 1
703 1 52 ARG H 1 53 LEU QD 5.500 . 5.500 4.160 2.948 4.868 . 0 0 "[ . 1 . 2]" 1
704 1 52 ARG H 1 54 GLY H 4.920 . 4.920 4.375 4.108 4.617 . 0 0 "[ . 1 . 2]" 1
705 1 51 THR H 1 52 ARG H 3.550 . 3.550 2.426 2.151 2.707 . 0 0 "[ . 1 . 2]" 1
706 1 52 ARG H 1 53 LEU H 3.700 . 3.700 2.722 2.631 2.814 . 0 0 "[ . 1 . 2]" 1
707 1 52 ARG H 1 53 LEU HA 5.500 . 5.500 5.264 5.152 5.370 . 0 0 "[ . 1 . 2]" 1
708 1 48 LEU HA 1 52 ARG H 4.790 . 4.790 4.349 3.371 5.143 0.353 18 0 "[ . 1 . 2]" 1
709 1 52 ARG H 1 52 ARG HB2 3.660 . 3.660 3.461 3.117 3.716 0.056 15 0 "[ . 1 . 2]" 1
710 1 47 ALA MB 1 52 ARG H 5.430 . 5.430 5.658 4.411 6.399 0.969 18 5 "[ * . -1* . *+ 2]" 1
711 1 51 THR MG 1 52 ARG H 4.850 . 4.850 4.270 4.116 4.451 . 0 0 "[ . 1 . 2]" 1
712 1 17 GLN H 1 18 ALA HA 5.330 . 5.330 5.154 5.083 5.332 0.002 4 0 "[ . 1 . 2]" 1
713 1 17 GLN H 1 17 GLN QG 3.900 . 3.900 2.032 1.888 2.256 . 0 0 "[ . 1 . 2]" 1
714 1 17 GLN H 1 17 GLN QB 3.320 . 3.320 2.624 2.558 2.691 . 0 0 "[ . 1 . 2]" 1
715 1 16 LEU HB3 1 17 GLN H 4.120 . 4.120 3.642 3.389 3.799 . 0 0 "[ . 1 . 2]" 1
716 1 17 GLN H 1 18 ALA MB 4.930 . 4.930 4.181 4.080 4.402 . 0 0 "[ . 1 . 2]" 1
717 1 16 LEU HB2 1 17 GLN H 4.180 . 4.180 2.979 2.674 3.152 . 0 0 "[ . 1 . 2]" 1
718 1 16 LEU QD 1 17 GLN H 4.340 . 4.340 4.015 3.856 4.249 . 0 0 "[ . 1 . 2]" 1
719 1 17 GLN H 1 19 ILE H 5.500 . 5.500 4.237 3.973 4.437 . 0 0 "[ . 1 . 2]" 1
720 1 19 ILE H 1 26 ARG H 5.020 . 5.020 4.788 4.393 5.884 0.864 8 1 "[ . + 1 . 2]" 1
721 1 19 ILE H 1 20 ASP H 4.780 . 4.780 4.464 4.374 4.513 . 0 0 "[ . 1 . 2]" 1
722 1 16 LEU H 1 19 ILE H 5.480 . 5.480 5.139 4.666 5.531 0.051 4 0 "[ . 1 . 2]" 1
723 1 19 ILE H 1 26 ARG QD 5.500 . 5.500 5.082 3.459 6.944 1.444 7 6 "[ * . +* 1 - * * 2]" 1
724 1 19 ILE H 1 27 ASN QB 5.500 . 5.500 5.420 4.950 6.121 0.621 17 1 "[ . 1 . + 2]" 1
725 1 18 ALA MB 1 19 ILE H 4.130 . 4.130 2.952 2.827 3.153 . 0 0 "[ . 1 . 2]" 1
726 1 17 GLN HA 1 19 ILE H 4.790 . 4.790 4.254 3.946 4.681 . 0 0 "[ . 1 . 2]" 1
727 1 16 LEU HA 1 19 ILE H 4.080 . 4.080 3.529 3.147 4.016 . 0 0 "[ . 1 . 2]" 1
728 1 16 LEU QD 1 19 ILE H 5.070 . 5.070 4.831 4.101 5.536 0.466 19 0 "[ . 1 . 2]" 1
729 1 19 ILE H 1 19 ILE MG 4.140 . 4.140 2.969 2.811 3.113 . 0 0 "[ . 1 . 2]" 1
730 1 63 LYS H 1 64 THR H 3.250 . 3.250 2.557 2.351 2.627 . 0 0 "[ . 1 . 2]" 1
731 1 64 THR H 1 64 THR HB 3.390 . 3.390 2.678 2.634 2.743 . 0 0 "[ . 1 . 2]" 1
732 1 63 LYS HB3 1 64 THR H 4.280 . 4.280 4.181 3.597 4.475 0.195 14 0 "[ . 1 . 2]" 1
733 1 63 LYS HB2 1 64 THR H 3.970 . 3.970 3.966 3.586 4.446 0.476 17 0 "[ . 1 . 2]" 1
734 1 64 THR H 1 70 ALA MB 4.830 . 4.830 4.610 4.219 5.035 0.205 15 0 "[ . 1 . 2]" 1
735 1 64 THR H 1 64 THR MG 3.290 . 3.290 1.996 1.944 2.050 . 0 0 "[ . 1 . 2]" 1
736 1 62 LYS HA 1 64 THR H 5.120 . 5.120 3.986 3.619 4.325 . 0 0 "[ . 1 . 2]" 1
737 1 61 ARG HA 1 64 THR H 4.670 . 4.670 4.235 3.829 4.814 0.144 10 0 "[ . 1 . 2]" 1
738 1 63 LYS QE 1 64 THR H 5.090 . 5.090 5.341 4.307 6.678 1.588 17 7 "[ *** 1 -*. + *]" 1
739 1 60 VAL QG 1 64 THR H 5.500 . 5.500 4.038 3.546 4.579 . 0 0 "[ . 1 . 2]" 1
740 1 66 ASN H 1 66 ASN QD 5.500 . 5.500 4.781 4.464 4.939 . 0 0 "[ . 1 . 2]" 1
741 1 66 ASN QD 1 68 GLU QB . . 4.880 2.480 1.579 3.715 . 0 0 "[ . 1 . 2]" 1
742 1 66 ASN QD 1 69 LEU QD 5.500 . 5.500 4.216 2.710 5.656 0.156 7 0 "[ . 1 . 2]" 1
743 1 66 ASN QD 1 70 ALA H 5.500 . 5.500 5.668 4.597 6.527 1.027 7 8 "[* *-. +* * * . *]" 1
744 1 66 ASN QD 1 69 LEU HB2 5.310 . 5.310 3.516 1.760 4.943 . 0 0 "[ . 1 . 2]" 1
745 1 7 SER HA 1 9 GLN QE 4.620 . 4.620 5.301 3.994 6.190 1.570 18 12 "[ ** ** -** *** + *]" 1
746 1 66 ASN QD 1 69 LEU HA 5.500 . 5.500 4.911 3.444 6.418 0.918 10 3 "[ -. * + . 2]" 1
747 1 9 GLN QE 1 51 THR MG 5.330 . 5.330 3.571 1.924 5.476 0.146 13 0 "[ . 1 . 2]" 1
748 1 66 ASN QD 1 68 GLU QG 4.680 . 4.680 3.282 2.521 4.118 . 0 0 "[ . 1 . 2]" 1
749 1 8 PRO HA 1 44 THR H 5.500 . 5.500 5.325 4.310 7.241 1.741 11 3 "[ - 1+ . * 2]" 1
750 1 22 GLN QE 1 24 ASN QD 5.500 . 5.500 3.484 1.770 5.589 0.089 12 0 "[ . 1 . 2]" 1
751 1 80 TRP HB2 1 81 GLN QE 5.500 . 5.500 2.852 2.079 3.528 . 0 0 "[ . 1 . 2]" 1
752 1 10 GLN QE 1 11 ILE MD 5.500 . 5.500 4.736 3.116 5.893 0.393 5 0 "[ . 1 . 2]" 1
753 1 7 SER HA 1 10 GLN QE 5.000 . 5.000 4.374 3.877 5.410 0.410 17 0 "[ . 1 . 2]" 1
754 1 6 ALA MB 1 10 GLN QE 5.500 . 5.500 3.586 2.110 5.451 . 0 0 "[ . 1 . 2]" 1
755 1 22 GLN QE 1 23 SER QB 5.070 . 5.070 4.489 3.219 5.579 0.509 16 1 "[ . 1 .+ 2]" 1
756 1 27 ASN QD 1 30 ALA H 5.500 . 5.500 4.073 2.855 5.357 . 0 0 "[ . 1 . 2]" 1
757 1 22 GLN HA 1 22 GLN QE 5.340 . 5.340 2.896 1.504 4.372 . 0 0 "[ . 1 . 2]" 1
758 1 9 GLN QE 1 47 ALA MB 5.500 . 5.500 3.352 2.020 5.372 . 0 0 "[ . 1 . 2]" 1
759 1 9 GLN HB2 1 10 GLN QE 5.500 . 5.500 4.175 2.493 5.997 0.497 20 0 "[ . 1 . 2]" 1
760 1 5 PRO QB 1 10 GLN QE 5.500 . 5.500 3.826 3.035 4.771 . 0 0 "[ . 1 . 2]" 1
761 1 18 ALA MB 1 27 ASN QD 5.500 . 5.500 4.409 3.389 5.396 . 0 0 "[ . 1 . 2]" 1
762 1 8 PRO QB 1 9 GLN QE 5.460 . 5.460 3.945 2.983 5.412 . 0 0 "[ . 1 . 2]" 1
763 1 44 THR H 1 45 LYS H 5.500 . 5.500 4.638 4.616 4.679 . 0 0 "[ . 1 . 2]" 1
764 1 43 ILE H 1 44 THR H 5.500 . 5.500 4.564 4.365 4.674 . 0 0 "[ . 1 . 2]" 1
765 1 43 ILE HB 1 44 THR H 5.500 . 5.500 4.157 3.898 4.423 . 0 0 "[ . 1 . 2]" 1
766 1 43 ILE MG 1 44 THR H 5.500 . 5.500 2.599 2.192 3.166 . 0 0 "[ . 1 . 2]" 1
767 1 18 ALA HA 1 27 ASN QD 5.500 . 5.500 3.706 2.111 4.609 . 0 0 "[ . 1 . 2]" 1
768 1 54 GLY HA2 1 81 GLN QE 5.290 . 5.290 4.866 4.207 5.681 0.391 13 0 "[ . 1 . 2]" 1
769 1 80 TRP HB3 1 81 GLN QE 5.280 . 5.280 3.677 3.145 4.244 . 0 0 "[ . 1 . 2]" 1
770 1 77 LEU QD 1 81 GLN QE 5.500 . 5.500 4.687 3.268 5.585 0.085 17 0 "[ . 1 . 2]" 1
771 1 5 PRO HA 1 10 GLN QE 5.500 . 5.500 3.682 2.299 4.661 . 0 0 "[ . 1 . 2]" 1
772 1 14 ARG HA 1 17 GLN QE 5.500 . 5.500 3.039 2.317 3.925 . 0 0 "[ . 1 . 2]" 1
773 1 43 ILE MD 1 44 THR H 5.500 . 5.500 4.946 3.828 5.366 . 0 0 "[ . 1 . 2]" 1
774 1 7 SER H 1 10 GLN QE 5.500 . 5.500 2.706 1.946 3.848 . 0 0 "[ . 1 . 2]" 1
775 1 26 ARG QB 1 27 ASN QD 5.500 . 5.500 4.123 2.112 5.538 0.038 5 0 "[ . 1 . 2]" 1
776 1 10 GLN HA 1 10 GLN QE 5.500 . 5.500 4.076 2.573 4.863 . 0 0 "[ . 1 . 2]" 1
777 1 22 GLN QE 1 23 SER H 5.500 . 5.500 4.800 4.039 5.467 . 0 0 "[ . 1 . 2]" 1
778 1 17 GLN QE 1 30 ALA HA 5.500 . 5.500 3.399 2.535 4.328 . 0 0 "[ . 1 . 2]" 1
779 1 81 GLN HA 1 81 GLN QE 5.090 . 5.090 2.530 2.221 3.651 . 0 0 "[ . 1 . 2]" 1
780 1 9 GLN QG 1 10 GLN QE 5.500 . 5.500 4.453 1.703 6.281 0.781 13 3 "[* . - 1 + . 2]" 1
781 1 27 ASN QD 1 30 ALA MB 5.500 . 5.500 2.777 1.783 3.866 . 0 0 "[ . 1 . 2]" 1
782 1 77 LEU HA 1 81 GLN QE 5.350 . 5.350 4.846 4.045 5.690 0.340 17 0 "[ . 1 . 2]" 1
783 1 18 ALA H 1 27 ASN QD 5.340 . 5.340 5.917 4.369 6.784 1.444 17 13 "[ * ** * ******-+* 2]" 1
784 1 27 ASN QD 1 29 VAL QG 5.500 . 5.500 3.915 2.112 5.956 0.456 7 0 "[ . 1 . 2]" 1
785 1 81 GLN H 1 81 GLN QE 5.500 . 5.500 3.074 2.573 4.045 . 0 0 "[ . 1 . 2]" 1
786 1 80 TRP H 1 81 GLN QE 5.500 . 5.500 4.554 3.653 5.201 . 0 0 "[ . 1 . 2]" 1
787 1 7 SER QB 1 10 GLN QE 5.500 . 5.500 2.710 1.662 3.907 . 0 0 "[ . 1 . 2]" 1
788 1 22 GLN QE 1 24 ASN H 5.500 . 5.500 5.154 3.161 6.329 0.829 15 6 "[ .** -1 *+ * 2]" 1
789 1 17 GLN QB 1 27 ASN QD 5.500 . 5.500 5.214 2.832 6.643 1.143 17 2 "[ . 1 - . + 2]" 1
790 1 14 ARG H 1 17 GLN QE 5.500 . 5.500 5.403 4.783 6.276 0.776 9 1 "[ . +1 . 2]" 1
791 1 14 ARG QB 1 17 GLN QE 5.500 . 5.500 3.384 2.587 4.325 . 0 0 "[ . 1 . 2]" 1
792 1 17 GLN QE 1 30 ALA MB 5.500 . 5.500 1.737 1.436 2.041 . 0 0 "[ . 1 . 2]" 1
793 1 17 GLN QE 1 18 ALA H 4.530 . 4.530 3.677 3.199 4.754 0.224 9 0 "[ . 1 . 2]" 1
794 1 17 GLN QE 1 30 ALA H 5.500 . 5.500 4.972 4.640 5.329 . 0 0 "[ . 1 . 2]" 1
795 1 91 GLU HB3 1 92 ALA H 5.500 . 5.500 3.805 1.824 4.684 . 0 0 "[ . 1 . 2]" 1
796 1 91 GLU HA 1 92 ALA H 3.280 . 3.280 2.675 2.151 3.529 0.249 9 0 "[ . 1 . 2]" 1
797 1 12 ARG HB2 1 51 THR HB 4.520 . 4.520 3.841 2.745 4.889 0.369 4 0 "[ . 1 . 2]" 1
798 1 51 THR HB 1 53 LEU QD 4.400 . 4.400 2.790 1.611 3.675 . 0 0 "[ . 1 . 2]" 1
799 1 9 GLN HA 1 51 THR HB 5.380 . 5.380 4.270 3.213 5.591 0.211 4 0 "[ . 1 . 2]" 1
800 1 64 THR HB 1 70 ALA HA 5.430 . 5.430 4.130 3.575 4.711 . 0 0 "[ . 1 . 2]" 1
801 1 61 ARG HA 1 64 THR HB 4.520 . 4.520 3.594 2.707 4.561 0.041 10 0 "[ . 1 . 2]" 1
802 1 60 VAL QG 1 64 THR HB 4.030 . 4.030 2.938 2.002 3.623 . 0 0 "[ . 1 . 2]" 1
803 1 15 LEU HA 1 31 VAL HA 5.180 . 5.180 4.536 3.659 5.342 0.162 5 0 "[ . 1 . 2]" 1
804 1 31 VAL HA 1 34 VAL HB 3.680 . 3.680 3.425 2.663 5.046 1.366 12 4 "[ . * 1 + .* - 2]" 1
805 1 34 VAL HA 1 37 SER QB . . 4.240 3.030 2.482 4.076 . 0 0 "[ . 1 . 2]" 1
806 1 33 GLU HB2 1 34 VAL HA 5.320 . 5.320 4.397 4.164 4.730 . 0 0 "[ . 1 . 2]" 1
807 1 34 VAL HA 1 34 VAL QG . . 3.330 2.190 2.140 2.336 . 0 0 "[ . 1 . 2]" 1
808 1 34 VAL HA 1 35 ILE MD 5.420 . 5.420 4.578 4.276 6.438 1.018 9 1 "[ . +1 . 2]" 1
809 1 29 VAL HA 1 32 LEU HB2 4.070 . 4.070 2.842 2.483 3.602 . 0 0 "[ . 1 . 2]" 1
810 1 8 PRO HA 1 47 ALA MB 5.320 . 5.320 4.673 4.222 5.166 . 0 0 "[ . 1 . 2]" 1
811 1 8 PRO HA 1 53 LEU QD 4.980 . 4.980 4.280 3.464 5.963 0.983 15 1 "[ . 1 + 2]" 1
812 1 8 PRO HA 1 11 ILE HB 3.520 . 3.520 2.893 2.255 3.667 0.147 15 0 "[ . 1 . 2]" 1
813 1 60 VAL HA 1 64 THR HB 4.380 . 4.380 4.448 3.314 5.368 0.988 2 5 "[ + . 1* * .-* 2]" 1
814 1 60 VAL HA 1 63 LYS HB2 4.510 . 4.510 3.150 2.094 4.234 . 0 0 "[ . 1 . 2]" 1
815 1 60 VAL HA 1 60 VAL QG . . 3.310 2.277 2.243 2.309 . 0 0 "[ . 1 . 2]" 1
816 1 35 ILE HA 1 38 LEU QB 4.000 . 4.000 2.518 2.085 3.004 . 0 0 "[ . 1 . 2]" 1
817 1 86 PRO HA 1 87 ALA HA 5.350 . 5.350 4.657 4.375 4.831 . 0 0 "[ . 1 . 2]" 1
818 1 86 PRO HA 1 87 ALA MB 5.110 . 5.110 4.652 3.834 5.001 . 0 0 "[ . 1 . 2]" 1
819 1 6 ALA MB 1 7 SER QB 5.500 . 5.500 3.532 3.191 4.133 . 0 0 "[ . 1 . 2]" 1
820 1 25 ILE HA 1 63 LYS QG 5.500 . 5.500 4.967 3.446 7.386 1.886 14 4 "[ .* * +. -]" 1
821 1 25 ILE HA 1 26 ARG QG 5.500 . 5.500 4.614 3.871 5.839 0.339 19 0 "[ . 1 . 2]" 1
822 1 25 ILE HA 1 25 ILE MD 3.640 . 3.640 2.050 1.965 2.135 . 0 0 "[ . 1 . 2]" 1
823 1 4 ALA HA 1 5 PRO HA 4.790 . 4.790 4.536 4.422 4.720 . 0 0 "[ . 1 . 2]" 1
824 1 5 PRO HA 1 6 ALA MB 4.540 . 4.540 4.112 3.805 4.564 0.024 12 0 "[ . 1 . 2]" 1
825 1 11 ILE MD 1 37 SER QB . . 4.400 3.592 2.655 4.825 0.425 12 0 "[ . 1 . 2]" 1
826 1 37 SER QB 1 38 LEU QD 5.200 . 5.200 3.428 2.376 5.186 . 0 0 "[ . 1 . 2]" 1
827 1 11 ILE MG 1 37 SER QB . . 4.480 3.805 2.351 5.223 0.743 10 2 "[ . + - . 2]" 1
828 1 12 ARG QD 1 51 THR HA 4.020 . 4.020 3.935 3.178 4.479 0.459 4 0 "[ . 1 . 2]" 1
829 1 50 GLU HB3 1 51 THR HA 4.490 . 4.490 4.453 4.293 4.625 0.135 1 0 "[ . 1 . 2]" 1
830 1 51 THR HA 1 52 ARG HB2 4.610 . 4.610 4.220 3.939 4.521 . 0 0 "[ . 1 . 2]" 1
831 1 51 THR HA 1 51 THR MG 3.290 . 3.290 2.326 2.219 2.386 . 0 0 "[ . 1 . 2]" 1
832 1 51 THR HA 1 53 LEU QD 5.080 . 5.080 4.403 3.703 5.114 0.034 9 0 "[ . 1 . 2]" 1
833 1 5 PRO QB 1 37 SER QB 5.180 . 5.180 4.200 2.787 6.157 0.977 5 1 "[ + 1 . 2]" 1
834 1 57 ILE HA 1 57 ILE MD 3.840 . 3.840 3.834 3.806 3.878 0.038 18 0 "[ . 1 . 2]" 1
835 1 42 PRO HA 1 43 ILE MG 5.500 . 5.500 5.503 5.411 5.543 0.043 3 0 "[ . 1 . 2]" 1
836 1 37 SER HA 1 40 LYS QB 4.380 . 4.380 3.369 2.809 4.426 0.046 8 0 "[ . 1 . 2]" 1
837 1 79 SER QB 1 80 TRP HD1 5.500 . 5.500 2.745 2.156 3.260 . 0 0 "[ . 1 . 2]" 1
838 1 76 LEU QD 1 79 SER QB 5.280 . 5.280 3.847 2.666 5.264 . 0 0 "[ . 1 . 2]" 1
839 1 76 LEU HA 1 79 SER QB 4.350 . 4.350 3.427 2.560 4.100 . 0 0 "[ . 1 . 2]" 1
840 1 64 THR HA 1 64 THR HB 3.020 . 3.020 2.419 2.399 2.438 . 0 0 "[ . 1 . 2]" 1
841 1 64 THR HA 1 65 LYS HB3 5.120 . 5.120 4.858 4.650 5.911 0.791 20 1 "[ . 1 . +]" 1
842 1 64 THR HA 1 70 ALA MB 5.500 . 5.500 5.156 4.299 5.706 0.206 10 0 "[ . 1 . 2]" 1
843 1 60 VAL QG 1 64 THR HA 4.220 . 4.220 3.349 2.627 3.808 . 0 0 "[ . 1 . 2]" 1
844 1 36 SER HA 1 39 GLU HB2 4.370 . 4.370 3.097 2.725 3.607 . 0 0 "[ . 1 . 2]" 1
845 1 36 SER HA 1 39 GLU QG . . 5.020 2.893 2.123 3.466 . 0 0 "[ . 1 . 2]" 1
846 1 79 SER HA 1 82 LYS QB 4.340 . 4.340 3.503 2.474 4.371 0.031 6 0 "[ . 1 . 2]" 1
847 1 84 ILE HA 1 85 GLU HA 5.160 . 5.160 4.565 4.477 4.753 . 0 0 "[ . 1 . 2]" 1
848 1 84 ILE HA 1 84 ILE QG . . 3.960 3.256 2.347 3.438 . 0 0 "[ . 1 . 2]" 1
849 1 84 ILE HA 1 84 ILE MG 3.440 . 3.440 2.352 2.195 3.222 . 0 0 "[ . 1 . 2]" 1
850 1 46 GLU HA 1 46 GLU QG 3.610 . 3.610 2.990 2.394 3.532 . 0 0 "[ . 1 . 2]" 1
851 1 43 ILE HA 1 43 ILE HG12 3.740 . 3.740 2.739 2.481 3.673 . 0 0 "[ . 1 . 2]" 1
852 1 43 ILE HA 1 43 ILE HG13 3.920 . 3.920 2.971 2.375 3.780 . 0 0 "[ . 1 . 2]" 1
853 1 43 ILE HA 1 80 TRP HZ2 5.500 . 5.500 5.309 4.475 6.342 0.842 18 3 "[ . 1- . *+ 2]" 1
854 1 19 ILE MD 1 23 SER QB 5.070 . 5.070 3.947 3.059 5.487 0.417 5 0 "[ . 1 . 2]" 1
855 1 23 SER QB 1 63 LYS QD 5.340 . 5.340 3.670 1.793 4.904 . 0 0 "[ . 1 . 2]" 1
856 1 19 ILE MG 1 23 SER QB 5.500 . 5.500 5.039 3.844 6.074 0.574 5 1 "[ + 1 . 2]" 1
857 1 12 ARG HA 1 53 LEU QD 3.490 . 3.490 2.797 2.254 3.256 . 0 0 "[ . 1 . 2]" 1
858 1 12 ARG HA 1 12 ARG QD 5.000 . 5.000 4.056 3.952 4.286 . 0 0 "[ . 1 . 2]" 1
859 1 9 GLN HA 1 10 GLN HA 5.250 . 5.250 4.787 4.725 4.864 . 0 0 "[ . 1 . 2]" 1
860 1 9 GLN HA 1 12 ARG QD 5.100 . 5.100 4.350 3.185 5.366 0.266 13 0 "[ . 1 . 2]" 1
861 1 9 GLN HA 1 9 GLN QG 3.620 . 3.620 2.895 2.394 3.360 . 0 0 "[ . 1 . 2]" 1
862 1 9 GLN HA 1 12 ARG HB3 4.370 . 4.370 3.647 2.582 4.825 0.455 3 0 "[ . 1 . 2]" 1
863 1 44 THR HA 1 45 LYS HA 5.110 . 5.110 4.242 4.120 4.355 . 0 0 "[ . 1 . 2]" 1
864 1 43 ILE MG 1 44 THR HA 5.350 . 5.350 4.041 3.797 4.260 . 0 0 "[ . 1 . 2]" 1
865 1 33 GLU HA 1 36 SER HB3 3.770 . 3.770 3.017 2.221 4.193 0.423 3 0 "[ . 1 . 2]" 1
866 1 33 GLU HA 1 34 VAL QG 5.500 . 5.500 4.797 4.511 4.914 . 0 0 "[ . 1 . 2]" 1
867 1 71 LYS HA 1 71 LYS QD 3.660 . 3.660 3.001 2.153 4.066 0.406 4 0 "[ . 1 . 2]" 1
868 1 75 LYS HA 1 78 ARG QB 3.400 . 3.400 3.146 2.254 4.059 0.659 15 5 "[ * . 1* *-+ 2]" 1
869 1 75 LYS HA 1 78 ARG QG . . 4.630 2.759 2.287 3.440 . 0 0 "[ . 1 . 2]" 1
870 1 19 ILE HA 1 26 ARG QD 5.310 . 5.310 4.090 2.614 5.434 0.124 15 0 "[ . 1 . 2]" 1
871 1 19 ILE HA 1 26 ARG QG 3.860 . 3.860 3.263 2.015 5.454 1.594 7 4 "[ . +* 1 . -*2]" 1
872 1 19 ILE HA 1 19 ILE MD 4.530 . 4.530 4.203 4.194 4.213 . 0 0 "[ . 1 . 2]" 1
873 1 55 LYS HA 1 58 ASN QB 4.020 . 4.020 3.490 2.738 4.237 0.217 15 0 "[ . 1 . 2]" 1
874 1 77 LEU QD 1 78 ARG HA 5.500 . 5.500 5.250 5.141 5.325 . 0 0 "[ . 1 . 2]" 1
875 1 50 GLU HA 1 50 GLU HB3 2.980 . 2.980 3.027 3.016 3.031 0.051 2 0 "[ . 1 . 2]" 1
876 1 61 ARG HA 1 73 ALA MB 3.750 . 3.750 4.831 4.069 5.576 1.826 4 17 "[** +*** ****-******2]" 1
877 1 60 VAL QG 1 61 ARG HA 4.560 . 4.560 3.044 2.906 3.205 . 0 0 "[ . 1 . 2]" 1
878 1 61 ARG HA 1 77 LEU QD 5.500 . 5.500 4.662 3.837 5.837 0.337 18 0 "[ . 1 . 2]" 1
879 1 81 GLN HA 1 84 ILE MD 4.760 . 4.760 3.404 2.192 5.858 1.098 11 1 "[ . 1+ . 2]" 1
880 1 10 GLN HA 1 13 ASP QB 4.000 . 4.000 2.993 2.298 3.868 . 0 0 "[ . 1 . 2]" 1
881 1 10 GLN HA 1 10 GLN HG3 3.480 . 3.480 2.983 2.247 4.025 0.545 17 1 "[ . 1 . + 2]" 1
882 1 38 LEU QB 1 39 GLU HA 4.240 . 4.240 4.020 3.819 4.221 . 0 0 "[ . 1 . 2]" 1
883 1 39 GLU HA 1 39 GLU QG . . 3.770 2.470 2.383 2.865 . 0 0 "[ . 1 . 2]" 1
884 1 38 LEU QD 1 39 GLU HA 5.500 . 5.500 5.098 4.388 5.355 . 0 0 "[ . 1 . 2]" 1
885 1 39 GLU HA 1 76 LEU QD 3.710 . 3.710 3.094 1.876 4.093 0.383 19 0 "[ . 1 . 2]" 1
886 1 53 LEU HA 1 56 LEU QB 3.700 . 3.700 3.098 2.730 3.632 . 0 0 "[ . 1 . 2]" 1
887 1 48 LEU HA 1 53 LEU QD 5.110 . 5.110 3.146 1.724 4.113 . 0 0 "[ . 1 . 2]" 1
888 1 13 ASP HA 1 14 ARG HA 5.500 . 5.500 4.810 4.734 4.867 . 0 0 "[ . 1 . 2]" 1
889 1 13 ASP HA 1 16 LEU HB2 4.330 . 4.330 3.185 2.280 4.176 . 0 0 "[ . 1 . 2]" 1
890 1 56 LEU HA 1 59 ASP HB2 4.140 . 4.140 2.973 2.325 3.994 . 0 0 "[ . 1 . 2]" 1
891 1 69 LEU HA 1 72 ARG HB3 4.460 . 4.460 3.603 2.481 5.342 0.882 15 1 "[ . 1 + 2]" 1
892 1 32 LEU HA 1 32 LEU QD . . 3.510 2.045 1.954 2.842 . 0 0 "[ . 1 . 2]" 1
893 1 77 LEU HA 1 80 TRP HE3 4.370 . 4.370 3.905 3.033 5.144 0.774 20 3 "[ . 1- * . +]" 1
894 1 77 LEU HA 1 80 TRP HB2 4.500 . 4.500 3.429 2.906 4.208 . 0 0 "[ . 1 . 2]" 1
895 1 57 ILE QG 1 77 LEU HA 4.250 . 4.250 4.324 3.482 5.300 1.050 1 5 "[+ -. 1 *. * *]" 1
896 1 77 LEU HA 1 77 LEU HG 3.470 . 3.470 2.768 2.538 3.730 0.260 6 0 "[ . 1 . 2]" 1
897 1 76 LEU QD 1 77 LEU HA 5.500 . 5.500 4.637 2.878 5.238 . 0 0 "[ . 1 . 2]" 1
898 1 28 MET HA 1 31 VAL HB 3.590 . 3.590 3.463 2.314 4.799 1.209 20 8 "[ *. * 1- * * * *+]" 1
899 1 52 ARG HA 1 53 LEU QD 5.500 . 5.500 4.667 3.779 5.247 . 0 0 "[ . 1 . 2]" 1
900 1 16 LEU HA 1 16 LEU QD 3.290 . 3.290 2.180 1.856 2.705 . 0 0 "[ . 1 . 2]" 1
901 1 76 LEU HA 1 76 LEU QD 3.440 . 3.440 2.308 1.915 2.975 . 0 0 "[ . 1 . 2]" 1
902 1 38 LEU HA 1 42 PRO QB 4.120 . 4.120 5.251 4.409 5.638 1.518 11 18 "[** **** **+**-******]" 1
903 1 58 ASN HA 1 61 ARG QB 3.520 . 3.520 3.132 2.412 3.831 0.311 7 0 "[ . 1 . 2]" 1
904 1 38 LEU HA 1 38 LEU QD 3.460 . 3.460 2.200 1.939 2.620 . 0 0 "[ . 1 . 2]" 1
905 1 11 ILE MD 1 38 LEU HA 5.500 . 5.500 4.220 3.011 5.255 . 0 0 "[ . 1 . 2]" 1
906 1 58 ASN HA 1 61 ARG HA 4.790 . 4.790 5.924 5.181 6.543 1.753 20 19 "[*** *-*************+]" 1
907 1 16 LEU HA 1 17 GLN HA 4.910 . 4.910 4.717 4.679 4.843 . 0 0 "[ . 1 . 2]" 1
908 1 45 LYS QB 1 80 TRP HA 4.980 . 4.980 4.338 2.740 5.232 0.252 6 0 "[ . 1 . 2]" 1
909 1 80 TRP HA 1 80 TRP HD1 3.500 . 3.500 2.586 2.333 3.261 . 0 0 "[ . 1 . 2]" 1
910 1 80 TRP HA 1 82 LYS QD 4.480 . 4.480 4.525 2.650 6.252 1.772 8 7 "[ ** + 1 **.* -]" 1
911 1 19 ILE HA 1 26 ARG HA 4.890 . 4.890 4.803 4.087 5.798 0.908 8 1 "[ . + 1 . 2]" 1
912 1 25 ILE HA 1 26 ARG HA 5.060 . 5.060 4.449 4.417 4.497 . 0 0 "[ . 1 . 2]" 1
913 1 26 ARG HA 1 26 ARG QG 3.420 . 3.420 2.478 2.280 2.818 . 0 0 "[ . 1 . 2]" 1
914 1 40 LYS HA 1 40 LYS QG 4.010 . 4.010 2.584 2.421 3.122 . 0 0 "[ . 1 . 2]" 1
915 1 69 LEU QD 1 70 ALA HA 4.800 . 4.800 3.117 2.881 3.508 . 0 0 "[ . 1 . 2]" 1
916 1 70 ALA HA 1 73 ALA MB 3.280 . 3.280 2.336 1.989 3.034 . 0 0 "[ . 1 . 2]" 1
917 1 6 ALA MB 1 7 SER HA 5.260 . 5.260 3.916 3.775 4.102 . 0 0 "[ . 1 . 2]" 1
918 1 88 HIS HA 1 88 HIS HD2 4.900 . 4.900 3.867 2.623 4.619 . 0 0 "[ . 1 . 2]" 1
919 1 87 ALA MB 1 88 HIS HA 5.400 . 5.400 4.260 3.956 5.127 . 0 0 "[ . 1 . 2]" 1
920 1 82 LYS QE 1 83 LEU HA 5.360 . 5.360 4.482 3.433 6.132 0.772 1 1 "[+ . 1 . 2]" 1
921 1 83 LEU HA 1 83 LEU QD 3.240 . 3.240 2.650 1.884 3.438 0.198 7 0 "[ . 1 . 2]" 1
922 1 41 TYR HA 1 42 PRO QG . . 4.790 3.945 3.830 4.080 . 0 0 "[ . 1 . 2]" 1
923 1 41 TYR HA 1 42 PRO QB 5.500 . 5.500 4.740 4.662 4.884 . 0 0 "[ . 1 . 2]" 1
924 1 64 THR MG 1 65 LYS HA 5.500 . 5.500 4.567 4.275 4.703 . 0 0 "[ . 1 . 2]" 1
925 1 63 LYS HA 1 63 LYS QD 5.140 . 5.140 3.635 1.871 4.278 . 0 0 "[ . 1 . 2]" 1
926 1 63 LYS HA 1 63 LYS QG 3.900 . 3.900 2.357 2.055 2.775 . 0 0 "[ . 1 . 2]" 1
927 1 22 GLN HA 1 23 SER HA 5.150 . 5.150 4.983 4.898 5.085 . 0 0 "[ . 1 . 2]" 1
928 1 47 ALA HA 1 50 GLU HB3 3.550 . 3.550 2.507 1.984 3.093 . 0 0 "[ . 1 . 2]" 1
929 1 47 ALA HA 1 50 GLU HB2 3.710 . 3.710 3.644 3.102 4.613 0.903 13 2 "[ . -1 + . 2]" 1
930 1 72 ARG HB2 1 73 ALA HA 5.290 . 5.290 5.133 4.030 5.719 0.429 8 0 "[ . 1 . 2]" 1
931 1 73 ALA HA 1 76 LEU HB2 3.810 . 3.810 3.346 2.724 4.094 0.284 9 0 "[ . 1 . 2]" 1
932 1 73 ALA HA 1 77 LEU QD 4.860 . 4.860 3.670 2.938 4.189 . 0 0 "[ . 1 . 2]" 1
933 1 73 ALA HA 1 76 LEU QD 4.350 . 4.350 2.809 1.939 3.986 . 0 0 "[ . 1 . 2]" 1
934 1 85 GLU HA 1 85 GLU QG 3.780 . 3.780 2.611 2.316 3.374 . 0 0 "[ . 1 . 2]" 1
935 1 30 ALA HA 1 33 GLU QG 4.700 . 4.700 2.753 2.171 3.751 . 0 0 "[ . 1 . 2]" 1
936 1 30 ALA HA 1 33 GLU HB2 3.550 . 3.550 3.108 2.620 3.863 0.313 15 0 "[ . 1 . 2]" 1
937 1 29 VAL QG 1 30 ALA HA . . 4.140 3.164 3.028 3.539 . 0 0 "[ . 1 . 2]" 1
938 1 66 ASN HA 1 67 GLU HA 5.320 . 5.320 4.383 4.351 4.420 . 0 0 "[ . 1 . 2]" 1
939 1 66 ASN HA 1 70 ALA MB 5.340 . 5.340 5.850 5.269 6.474 1.134 2 11 "[*+**.*- * *. ** *]" 1
940 1 64 THR MG 1 66 ASN HA 5.500 . 5.500 4.133 3.667 4.598 . 0 0 "[ . 1 . 2]" 1
941 1 24 ASN HA 1 63 LYS QD 5.360 . 5.360 3.815 2.131 5.147 . 0 0 "[ . 1 . 2]" 1
942 1 24 ASN HA 1 25 ILE HA 5.380 . 5.380 4.328 4.225 4.405 . 0 0 "[ . 1 . 2]" 1
943 1 23 SER HA 1 24 ASN HA 5.400 . 5.400 4.517 4.456 4.610 . 0 0 "[ . 1 . 2]" 1
944 1 24 ASN HA 1 25 ILE MD 5.410 . 5.410 4.377 3.943 4.925 . 0 0 "[ . 1 . 2]" 1
945 1 24 ASN HA 1 25 ILE HB 4.930 . 4.930 4.737 4.545 4.898 . 0 0 "[ . 1 . 2]" 1
946 1 17 GLN HA 1 18 ALA HA 5.170 . 5.170 4.661 4.601 4.698 . 0 0 "[ . 1 . 2]" 1
947 1 18 ALA HA 1 27 ASN QB 4.110 . 4.110 2.495 1.917 3.235 . 0 0 "[ . 1 . 2]" 1
948 1 18 ALA HA 1 26 ARG QB 5.100 . 5.100 3.805 3.119 5.094 . 0 0 "[ . 1 . 2]" 1
949 1 20 ASP HA 1 21 PRO HD2 3.640 . 3.640 2.754 2.263 2.939 . 0 0 "[ . 1 . 2]" 1
950 1 20 ASP HA 1 21 PRO HD3 3.950 . 3.950 2.169 2.000 2.753 . 0 0 "[ . 1 . 2]" 1
951 1 20 ASP HA 1 26 ARG QD 4.670 . 4.670 4.281 3.022 5.536 0.866 2 3 "[ +- . 1 * . 2]" 1
952 1 20 ASP HA 1 21 PRO HG2 5.260 . 5.260 4.632 4.431 4.804 . 0 0 "[ . 1 . 2]" 1
953 1 20 ASP HA 1 21 PRO HG3 5.120 . 5.120 4.330 4.164 4.812 . 0 0 "[ . 1 . 2]" 1
954 1 20 ASP HA 1 26 ARG QG 4.980 . 4.980 4.496 3.360 6.373 1.393 7 3 "[ . + 1 . *-2]" 1
955 1 15 LEU HA 1 18 ALA HA 5.390 . 5.390 5.806 5.416 6.344 0.954 4 6 "[ +* - *1 .* * 2]" 1
956 1 20 ASP QB 1 21 PRO HD2 . . 4.270 2.327 1.722 3.317 . 0 0 "[ . 1 . 2]" 1
957 1 27 ASN HA 1 29 VAL QG 5.500 . 5.500 4.173 3.394 4.907 . 0 0 "[ . 1 . 2]" 1
958 1 18 ALA HA 1 27 ASN HA 5.300 . 5.300 5.227 4.601 5.829 0.529 8 1 "[ . + 1 . 2]" 1
959 1 26 ARG QB 1 27 ASN HA 5.300 . 5.300 4.245 3.982 4.636 . 0 0 "[ . 1 . 2]" 1
960 1 27 ASN HA 1 30 ALA MB 5.060 . 5.060 4.350 4.064 4.579 . 0 0 "[ . 1 . 2]" 1
961 1 25 ILE MG 1 27 ASN HA 4.770 . 4.770 3.923 3.422 4.518 . 0 0 "[ . 1 . 2]" 1
962 1 27 ASN HA 1 28 MET QB 4.890 . 4.890 4.146 4.078 4.222 . 0 0 "[ . 1 . 2]" 1
963 1 5 PRO QB 1 6 ALA HA 4.890 . 4.890 4.466 3.930 5.007 0.117 16 0 "[ . 1 . 2]" 1
964 1 6 ALA HA 1 11 ILE MD 5.440 . 5.440 5.135 3.794 6.698 1.258 8 6 "[ . -+ 1 **** 2]" 1
965 1 4 ALA HA 1 5 PRO HD2 3.020 . 3.020 2.425 2.022 2.801 . 0 0 "[ . 1 . 2]" 1
966 1 4 ALA HA 1 5 PRO HD3 3.120 . 3.120 2.323 1.869 2.966 . 0 0 "[ . 1 . 2]" 1
967 1 4 ALA MB 1 5 PRO HD2 4.150 . 4.150 3.091 2.012 4.272 0.122 11 0 "[ . 1 . 2]" 1
968 1 41 TYR HA 1 42 PRO QD 3.450 . 3.450 2.038 1.918 2.181 . 0 0 "[ . 1 . 2]" 1
969 1 54 GLY HA2 1 80 TRP HE3 5.030 . 5.030 4.404 3.898 5.005 . 0 0 "[ . 1 . 2]" 1
970 1 53 LEU QD 1 54 GLY HA2 5.500 . 5.500 5.268 5.094 5.414 . 0 0 "[ . 1 . 2]" 1
971 1 54 GLY HA2 1 80 TRP HZ3 4.640 . 4.640 4.765 4.536 4.918 0.278 7 0 "[ . 1 . 2]" 1
972 1 26 ARG HA 1 26 ARG QD 4.140 . 4.140 3.797 1.931 4.287 0.147 16 0 "[ . 1 . 2]" 1
973 1 20 ASP QB 1 26 ARG QD 4.520 . 4.520 4.196 1.945 5.769 1.249 2 6 "[-+ . *1 * . * *2]" 1
974 1 45 LYS HA 1 83 LEU QB . . 5.200 3.858 2.766 4.900 . 0 0 "[ . 1 . 2]" 1
975 1 56 LEU QB 1 57 ILE MD 5.500 . 5.500 4.902 4.671 5.578 0.078 18 0 "[ . 1 . 2]" 1
976 1 12 ARG QD 1 51 THR HB 4.450 . 4.450 2.532 1.785 4.438 . 0 0 "[ . 1 . 2]" 1
977 1 35 ILE MG 1 38 LEU QB 5.500 . 5.500 3.685 3.272 4.198 . 0 0 "[ . 1 . 2]" 1
978 1 38 LEU QB 1 80 TRP HZ2 . . 4.680 3.794 3.027 4.589 . 0 0 "[ . 1 . 2]" 1
979 1 34 VAL QG 1 38 LEU QB 5.500 . 5.500 3.725 3.020 4.258 . 0 0 "[ . 1 . 2]" 1
980 1 38 LEU QB 1 76 LEU QD . . 4.200 3.867 2.563 4.951 0.751 6 3 "[*- .+ 1 . 2]" 1
981 1 38 LEU QB 1 80 TRP HH2 5.500 . 5.500 4.338 3.148 5.223 . 0 0 "[ . 1 . 2]" 1
982 1 80 TRP HA 1 83 LEU QB 5.090 . 5.090 4.906 3.732 5.867 0.777 13 4 "[-* . 1 + * 2]" 1
983 1 45 LYS QB 1 83 LEU QB 3.990 . 3.990 2.372 1.634 3.840 . 0 0 "[ . 1 . 2]" 1
984 1 63 LYS HA 1 63 LYS QE 4.430 . 4.430 3.609 1.611 4.998 0.568 4 1 "[ +. 1 . 2]" 1
985 1 63 LYS QE 1 63 LYS QG 3.470 . 3.470 2.377 2.124 2.701 . 0 0 "[ . 1 . 2]" 1
986 1 23 SER QB 1 63 LYS QE 4.450 . 4.450 3.355 1.916 5.131 0.681 18 1 "[ . 1 . + 2]" 1
987 1 63 LYS HB3 1 63 LYS QE 3.890 . 3.890 3.452 1.944 4.096 0.206 5 0 "[ . 1 . 2]" 1
988 1 24 ASN HA 1 63 LYS QE 5.050 . 5.050 4.042 2.601 5.210 0.160 11 0 "[ . 1 . 2]" 1
989 1 16 LEU HB3 1 17 GLN HA 5.500 . 5.500 4.266 4.082 4.480 . 0 0 "[ . 1 . 2]" 1
990 1 19 ILE HB 1 23 SER HA 3.950 . 3.950 3.387 2.373 4.271 0.321 18 0 "[ . 1 . 2]" 1
991 1 19 ILE HB 1 25 ILE HA 5.270 . 5.270 3.847 2.985 4.994 . 0 0 "[ . 1 . 2]" 1
992 1 16 LEU HB2 1 17 GLN HA 5.440 . 5.440 4.659 4.330 4.877 . 0 0 "[ . 1 . 2]" 1
993 1 20 ASP QB 1 26 ARG QG . . 4.500 4.000 2.531 5.335 0.835 7 3 "[ . + 1 . *-2]" 1
994 1 20 ASP QB 1 21 PRO HD3 4.300 . 4.300 3.280 2.972 3.931 . 0 0 "[ . 1 . 2]" 1
995 1 20 ASP QB 1 24 ASN QB 5.470 . 5.470 3.500 1.842 4.531 . 0 0 "[ . 1 . 2]" 1
996 1 20 ASP QB 1 21 PRO HG3 5.500 . 5.500 4.850 4.198 5.482 . 0 0 "[ . 1 . 2]" 1
997 1 12 ARG HA 1 15 LEU QB 4.590 . 4.590 2.768 2.328 3.468 . 0 0 "[ . 1 . 2]" 1
998 1 15 LEU QB 1 34 VAL QG . . 3.800 2.906 1.908 3.871 0.071 13 0 "[ . 1 . 2]" 1
999 1 38 LEU QD 1 43 ILE HB 5.500 . 5.500 4.256 3.541 5.252 . 0 0 "[ . 1 . 2]" 1
1000 1 45 LYS HA 1 48 LEU QB 4.160 . 4.160 2.976 2.003 4.376 0.216 19 0 "[ . 1 . 2]" 1
1001 1 32 LEU HB2 1 33 GLU QG 5.500 . 5.500 3.748 3.385 5.041 . 0 0 "[ . 1 . 2]" 1
1002 1 8 PRO QB 1 43 ILE HB 4.630 . 4.630 4.457 4.004 4.795 0.165 17 0 "[ . 1 . 2]" 1
1003 1 56 LEU QD 1 59 ASP HB2 5.330 . 5.330 4.241 2.557 5.579 0.249 5 0 "[ . 1 . 2]" 1
1004 1 59 ASP HB3 1 60 VAL HA 5.500 . 5.500 4.225 3.918 4.433 . 0 0 "[ . 1 . 2]" 1
1005 1 38 LEU QD 1 41 TYR QB 5.500 . 5.500 4.032 3.080 4.772 . 0 0 "[ . 1 . 2]" 1
1006 1 38 LEU HA 1 41 TYR QB 4.640 . 4.640 3.511 2.794 4.049 . 0 0 "[ . 1 . 2]" 1
1007 1 56 LEU HA 1 59 ASP HB3 4.400 . 4.400 3.153 1.759 4.942 0.542 20 1 "[ . 1 . +]" 1
1008 1 56 LEU QD 1 59 ASP HB3 5.500 . 5.500 3.954 1.761 6.152 0.652 18 1 "[ . 1 . + 2]" 1
1009 1 13 ASP QB 1 16 LEU QD 5.500 . 5.500 4.304 3.326 4.887 . 0 0 "[ . 1 . 2]" 1
1010 1 27 ASN QB 1 31 VAL QG 5.500 . 5.500 3.981 3.381 4.840 . 0 0 "[ . 1 . 2]" 1
1011 1 66 ASN QB 1 69 LEU HA 5.440 . 5.440 4.263 3.986 4.724 . 0 0 "[ . 1 . 2]" 1
1012 1 66 ASN QB 1 69 LEU HB3 . . 4.010 2.716 2.185 3.416 . 0 0 "[ . 1 . 2]" 1
1013 1 66 ASN QB 1 69 LEU HB2 4.230 . 4.230 2.086 1.817 2.731 . 0 0 "[ . 1 . 2]" 1
1014 1 64 THR MG 1 66 ASN QB 5.190 . 5.190 4.611 4.150 4.998 . 0 0 "[ . 1 . 2]" 1
1015 1 26 ARG QB 1 27 ASN QB 5.500 . 5.500 3.464 3.020 4.092 . 0 0 "[ . 1 . 2]" 1
1016 1 66 ASN QB 1 69 LEU QD . . 4.480 3.065 2.591 4.207 . 0 0 "[ . 1 . 2]" 1
1017 1 11 ILE HB 1 53 LEU QD 4.860 . 4.860 3.589 2.699 4.261 . 0 0 "[ . 1 . 2]" 1
1018 1 33 GLU QG 1 36 SER HB3 5.500 . 5.500 5.051 4.255 6.443 0.943 16 2 "[ . 1- .+ 2]" 1
1019 1 33 GLU HB2 1 33 GLU QG 2.650 . 2.650 2.269 2.159 2.345 . 0 0 "[ . 1 . 2]" 1
1020 1 33 GLU QG 1 34 VAL QG 5.500 . 5.500 4.767 4.410 5.202 . 0 0 "[ . 1 . 2]" 1
1021 1 33 GLU HA 1 33 GLU QG 3.760 . 3.760 2.530 2.305 2.924 . 0 0 "[ . 1 . 2]" 1
1022 1 29 VAL QG 1 33 GLU QG 4.470 . 4.470 3.008 2.336 3.842 . 0 0 "[ . 1 . 2]" 1
1023 1 35 ILE MG 1 39 GLU QG . . 4.580 2.710 2.385 3.092 . 0 0 "[ . 1 . 2]" 1
1024 1 88 HIS HA 1 91 GLU QG 4.200 . 4.200 3.817 1.852 5.582 1.382 19 3 "[ . * . - +2]" 1
1025 1 68 GLU HA 1 68 GLU QG 3.630 . 3.630 2.600 2.397 3.072 . 0 0 "[ . 1 . 2]" 1
1026 1 88 HIS QB 1 91 GLU QG 4.570 . 4.570 3.246 1.644 4.724 0.154 11 0 "[ . 1 . 2]" 1
1027 1 68 GLU QG 1 71 LYS QD 4.720 . 4.720 4.591 3.955 6.561 1.841 16 3 "[ - . 1 .+ * 2]" 1
1028 1 33 GLU HA 1 35 ILE HB 5.130 . 5.130 5.512 5.038 5.766 0.636 1 6 "[+ - ** 1 . **]" 1
1029 1 31 VAL QG 1 35 ILE HB 4.790 . 4.790 4.123 3.528 5.196 0.406 15 0 "[ . 1 . 2]" 1
1030 1 57 ILE HB 1 80 TRP HZ3 5.200 . 5.200 5.171 4.537 6.139 0.939 13 3 "[ . 1* + - 2]" 1
1031 1 54 GLY HA3 1 57 ILE HB 5.500 . 5.500 4.733 4.092 5.687 0.187 15 0 "[ . 1 . 2]" 1
1032 1 57 ILE HB 1 77 LEU HG 4.150 . 4.150 5.069 4.468 5.823 1.673 1 17 "[+***-* * *** *******]" 1
1033 1 54 GLY HA2 1 57 ILE HB 5.380 . 5.380 3.752 2.794 4.798 . 0 0 "[ . 1 . 2]" 1
1034 1 9 GLN QG 1 51 THR MG . . 4.380 3.558 2.081 4.673 0.293 3 0 "[ . 1 . 2]" 1
1035 1 10 GLN HG3 1 13 ASP QB 5.500 . 5.500 5.022 3.899 6.203 0.703 8 1 "[ . + 1 . 2]" 1
1036 1 7 SER QB 1 9 GLN QG 5.080 . 5.080 3.487 1.972 5.233 0.153 1 0 "[ . 1 . 2]" 1
1037 1 17 GLN HA 1 17 GLN QG 3.810 . 3.810 3.443 3.316 3.487 . 0 0 "[ . 1 . 2]" 1
1038 1 14 ARG HA 1 17 GLN QG 4.630 . 4.630 2.374 2.069 2.963 . 0 0 "[ . 1 . 2]" 1
1039 1 16 LEU QD 1 17 GLN QG 5.500 . 5.500 5.033 4.776 5.355 . 0 0 "[ . 1 . 2]" 1
1040 1 17 GLN QG 1 30 ALA MB 5.500 . 5.500 3.789 1.799 4.589 . 0 0 "[ . 1 . 2]" 1
1041 1 81 GLN HA 1 81 GLN QG 3.930 . 3.930 2.940 2.822 3.072 . 0 0 "[ . 1 . 2]" 1
1042 1 81 GLN QG 1 84 ILE MD 5.500 . 5.500 4.217 3.679 6.569 1.069 11 1 "[ . 1+ . 2]" 1
1043 1 63 LYS HB3 1 64 THR HA 4.650 . 4.650 4.625 4.133 5.008 0.358 14 0 "[ . 1 . 2]" 1
1044 1 60 VAL HA 1 63 LYS HB3 4.910 . 4.910 4.078 1.829 5.673 0.763 14 1 "[ . 1 +. 2]" 1
1045 1 63 LYS HB3 1 63 LYS QD . . 3.780 2.906 2.275 3.496 . 0 0 "[ . 1 . 2]" 1
1046 1 63 LYS HB2 1 64 THR HA 5.220 . 5.220 4.950 4.527 5.811 0.591 17 2 "[ . 1 - . + 2]" 1
1047 1 63 LYS HB2 1 63 LYS QE 4.840 . 4.840 2.764 1.886 4.511 . 0 0 "[ . 1 . 2]" 1
1048 1 61 ARG QB 1 62 LYS QB 5.290 . 5.290 4.081 3.607 4.525 . 0 0 "[ . 1 . 2]" 1
1049 1 71 LYS HB3 1 71 LYS QD 3.100 . 3.100 3.024 2.305 3.342 0.242 15 0 "[ . 1 . 2]" 1
1050 1 60 VAL HB 1 77 LEU QD 5.500 . 5.500 4.792 3.939 5.459 . 0 0 "[ . 1 . 2]" 1
1051 1 65 LYS HB2 1 66 ASN QB 5.210 . 5.210 4.643 3.547 5.135 . 0 0 "[ . 1 . 2]" 1
1052 1 71 LYS HB2 1 71 LYS QD 3.680 . 3.680 2.646 2.233 3.511 . 0 0 "[ . 1 . 2]" 1
1053 1 45 LYS QB 1 83 LEU QD 4.650 . 4.650 2.341 1.718 4.149 . 0 0 "[ . 1 . 2]" 1
1054 1 85 GLU HA 1 86 PRO QB 4.820 . 4.820 4.662 4.482 4.830 0.010 20 0 "[ . 1 . 2]" 1
1055 1 75 LYS QB 1 76 LEU HA 5.350 . 5.350 4.013 3.795 4.424 . 0 0 "[ . 1 . 2]" 1
1056 1 75 LYS QB 1 76 LEU QD 5.500 . 5.500 3.552 2.322 5.548 0.048 5 0 "[ . 1 . 2]" 1
1057 1 45 LYS QB 1 82 LYS QE 5.000 . 5.000 4.291 1.636 6.019 1.019 14 3 "[ . 1 +.* - 2]" 1
1058 1 28 MET QG 1 32 LEU QD 4.310 . 4.310 2.521 2.065 3.389 . 0 0 "[ . 1 . 2]" 1
1059 1 28 MET QG 1 29 VAL HA 5.500 . 5.500 3.664 3.446 3.941 . 0 0 "[ . 1 . 2]" 1
1060 1 69 LEU HA 1 72 ARG HB2 4.950 . 4.950 3.328 2.608 4.010 . 0 0 "[ . 1 . 2]" 1
1061 1 5 PRO QB 1 11 ILE MD . . 4.470 2.725 1.895 3.988 . 0 0 "[ . 1 . 2]" 1
1062 1 4 ALA HA 1 5 PRO QB 5.450 . 5.450 4.721 4.569 4.906 . 0 0 "[ . 1 . 2]" 1
1063 1 19 ILE HA 1 26 ARG QB 5.270 . 5.270 3.014 2.131 3.837 . 0 0 "[ . 1 . 2]" 1
1064 1 82 LYS QB 1 88 HIS QB 5.210 . 5.210 3.272 1.792 5.554 0.344 8 0 "[ . 1 . 2]" 1
1065 1 33 GLU HB2 1 34 VAL HB 5.500 . 5.500 4.987 4.102 5.643 0.143 12 0 "[ . 1 . 2]" 1
1066 1 15 LEU HA 1 34 VAL HB 5.500 . 5.500 4.455 2.767 5.337 . 0 0 "[ . 1 . 2]" 1
1067 1 39 GLU HB2 1 40 LYS QG 5.500 . 5.500 3.030 2.716 3.390 . 0 0 "[ . 1 . 2]" 1
1068 1 39 GLU HB2 1 76 LEU QD 5.500 . 5.500 5.258 4.185 6.283 0.783 19 2 "[ . - 1 . +2]" 1
1069 1 47 ALA MB 1 50 GLU HB3 5.500 . 5.500 4.017 3.536 4.642 . 0 0 "[ . 1 . 2]" 1
1070 1 50 GLU HB3 1 51 THR MG 5.190 . 5.190 3.449 2.797 5.365 0.175 1 0 "[ . 1 . 2]" 1
1071 1 38 LEU QD 1 42 PRO QB 5.500 . 5.500 4.828 3.401 5.652 0.152 15 0 "[ . 1 . 2]" 1
1072 1 91 GLU HB3 1 92 ALA HA 5.330 . 5.330 5.179 4.033 5.955 0.625 4 7 "[* +* - 1 * ** 2]" 1
1073 1 36 SER HA 1 39 GLU HB3 4.260 . 4.260 4.556 4.073 5.012 0.752 7 3 "[ - . + 1* . 2]" 1
1074 1 39 GLU HB3 1 40 LYS HA 4.520 . 4.520 4.501 4.346 4.615 0.095 11 0 "[ . 1 . 2]" 1
1075 1 39 GLU HB3 1 76 LEU QD 5.220 . 5.220 4.521 3.584 5.570 0.350 8 0 "[ . 1 . 2]" 1
1076 1 60 VAL QG 1 61 ARG QB 5.500 . 5.500 3.108 2.918 3.246 . 0 0 "[ . 1 . 2]" 1
1077 1 61 ARG QB 1 77 LEU QD 5.060 . 5.060 3.777 2.854 5.102 0.042 18 0 "[ . 1 . 2]" 1
1078 1 67 GLU QB 1 68 GLU QG 3.120 . 3.120 3.441 3.066 4.335 1.215 4 4 "[ +. * - . *]" 1
1079 1 78 ARG QB 1 81 GLN QG 5.500 . 5.500 4.357 3.862 4.709 . 0 0 "[ . 1 . 2]" 1
1080 1 75 LYS QD 1 78 ARG QB 4.640 . 4.640 4.692 3.241 6.358 1.718 14 5 "[*- . * 1* +. 2]" 1
1081 1 14 ARG QB 1 34 VAL QG 5.240 . 5.240 2.426 1.762 3.231 . 0 0 "[ . 1 . 2]" 1
1082 1 80 TRP HB3 1 83 LEU QD 5.290 . 5.290 4.620 3.545 6.105 0.815 12 3 "[ -. 1*+ . 2]" 1
1083 1 45 LYS HA 1 80 TRP HB3 4.780 . 4.780 4.325 2.751 5.031 0.251 20 0 "[ . 1 . 2]" 1
1084 1 66 ASN QB 1 68 GLU QB 5.310 . 5.310 3.879 3.295 4.343 . 0 0 "[ . 1 . 2]" 1
1085 1 68 GLU QB 1 69 LEU QD 5.500 . 5.500 4.898 4.435 5.110 . 0 0 "[ . 1 . 2]" 1
1086 1 82 LYS HA 1 82 LYS QD 4.320 . 4.320 3.784 3.454 4.466 0.146 1 0 "[ . 1 . 2]" 1
1087 1 82 LYS QB 1 82 LYS QD 3.430 . 3.430 2.388 2.113 2.736 . 0 0 "[ . 1 . 2]" 1
1088 1 82 LYS QD 1 83 LEU HA 5.190 . 5.190 3.401 2.455 5.346 0.156 13 0 "[ . 1 . 2]" 1
1089 1 82 LYS QD 1 83 LEU QD 4.670 . 4.670 3.899 1.932 5.479 0.809 13 2 "[ . - 1 + . 2]" 1
1090 1 57 ILE QG 1 80 TRP HE3 4.550 . 4.550 2.667 1.893 3.696 . 0 0 "[ . 1 . 2]" 1
1091 1 57 ILE QG 1 81 GLN QE 5.320 . 5.320 4.217 3.864 4.854 . 0 0 "[ . 1 . 2]" 1
1092 1 10 GLN QB 1 11 ILE HA 5.500 . 5.500 4.106 3.871 4.475 . 0 0 "[ . 1 . 2]" 1
1093 1 32 LEU HA 1 35 ILE QG 4.730 . 4.730 3.952 3.295 4.260 . 0 0 "[ . 1 . 2]" 1
1094 1 31 VAL QG 1 35 ILE QG 4.410 . 4.410 3.515 2.633 4.636 0.226 20 0 "[ . 1 . 2]" 1
1095 1 38 LEU QD 1 43 ILE HG13 5.500 . 5.500 2.934 2.033 4.588 . 0 0 "[ . 1 . 2]" 1
1096 1 9 GLN HA 1 12 ARG HB2 4.390 . 4.390 3.794 3.021 4.620 0.230 13 0 "[ . 1 . 2]" 1
1097 1 12 ARG HB2 1 51 THR MG 5.360 . 5.360 3.923 2.258 4.990 . 0 0 "[ . 1 . 2]" 1
1098 1 9 GLN HB3 1 10 GLN HA 5.500 . 5.500 4.870 4.409 5.797 0.297 6 0 "[ . 1 . 2]" 1
1099 1 51 THR MG 1 52 ARG HB2 5.500 . 5.500 5.355 3.985 5.939 0.439 12 0 "[ . 1 . 2]" 1
1100 1 43 ILE MD 1 48 LEU HG 5.000 . 5.000 5.537 4.680 6.828 1.828 19 7 "[ - * * 1* * +*]" 1
1101 1 45 LYS HA 1 48 LEU HG 5.460 . 5.460 5.186 4.343 6.425 0.965 4 1 "[ +. 1 . 2]" 1
1102 1 53 LEU HA 1 56 LEU QD 4.440 . 4.440 3.748 1.697 4.834 0.394 4 0 "[ . 1 . 2]" 1
1103 1 56 LEU QB 1 56 LEU QD 2.800 . 2.800 1.951 1.912 2.068 . 0 0 "[ . 1 . 2]" 1
1104 1 16 LEU QD 1 19 ILE MD 4.850 . 4.850 3.648 2.464 4.773 . 0 0 "[ . 1 . 2]" 1
1105 1 13 ASP HA 1 16 LEU QD 3.930 . 3.930 2.819 1.995 3.654 . 0 0 "[ . 1 . 2]" 1
1106 1 15 LEU QB 1 16 LEU QD 4.520 . 4.520 2.593 2.183 3.474 . 0 0 "[ . 1 . 2]" 1
1107 1 64 THR HA 1 69 LEU QD 4.310 . 4.310 4.530 3.486 5.518 1.208 16 7 "[ *. 1* *+ **-]" 1
1108 1 80 TRP HA 1 83 LEU QD 4.420 . 4.420 4.572 3.165 5.866 1.446 12 7 "[ **. ***+ . -]" 1
1109 1 32 LEU QD 1 35 ILE MD 3.930 . 3.930 3.517 2.383 3.792 . 0 0 "[ . 1 . 2]" 1
1110 1 29 VAL HA 1 32 LEU QD 4.060 . 4.060 2.326 1.985 3.144 . 0 0 "[ . 1 . 2]" 1
1111 1 75 LYS QG 1 76 LEU HA 5.500 . 5.500 5.512 4.189 5.923 0.423 12 0 "[ . 1 . 2]" 1
1112 1 18 ALA HA 1 31 VAL QG 4.610 . 4.610 4.166 3.550 5.393 0.783 17 1 "[ . 1 . + 2]" 1
1113 1 28 MET HA 1 31 VAL QG 4.070 . 4.070 2.534 1.871 3.177 . 0 0 "[ . 1 . 2]" 1
1114 1 15 LEU HA 1 31 VAL QG 4.840 . 4.840 4.280 3.511 4.836 . 0 0 "[ . 1 . 2]" 1
1115 1 25 ILE HA 1 31 VAL QG 4.620 . 4.620 3.847 2.933 4.638 0.018 7 0 "[ . 1 . 2]" 1
1116 1 28 MET QG 1 31 VAL QG 4.790 . 4.790 3.408 2.690 4.452 . 0 0 "[ . 1 . 2]" 1
1117 1 18 ALA MB 1 31 VAL QG 3.430 . 3.430 2.220 1.771 3.231 . 0 0 "[ . 1 . 2]" 1
1118 1 30 ALA MB 1 31 VAL QG 4.430 . 4.430 3.467 3.035 3.944 . 0 0 "[ . 1 . 2]" 1
1119 1 39 GLU QG 1 76 LEU QD 5.060 . 5.060 3.582 2.424 5.199 0.139 8 0 "[ . 1 . 2]" 1
1120 1 76 LEU QD 1 80 TRP HZ2 4.330 . 4.330 4.066 1.922 5.387 1.057 2 6 "[-+ .* * 1 *. *2]" 1
1121 1 76 LEU QD 1 80 TRP HD1 5.500 . 5.500 5.233 3.381 6.697 1.197 14 6 "[** . * 1 * +. -2]" 1
1122 1 76 LEU QD 1 80 TRP HH2 4.800 . 4.800 5.279 3.608 6.617 1.817 2 10 "[*+ .*** 1* **.- *2]" 1
1123 1 38 LEU HA 1 76 LEU QD 5.190 . 5.190 5.188 3.793 6.414 1.224 6 6 "[*** .+ 1 -*. 2]" 1
1124 1 38 LEU QD 1 76 LEU QD 4.290 . 4.290 4.090 2.234 5.349 1.059 1 4 "[+* .* 1 . -2]" 1
1125 1 59 ASP HB3 1 60 VAL QG 5.400 . 5.400 4.433 3.877 5.018 . 0 0 "[ . 1 . 2]" 1
1126 1 60 VAL QG 1 77 LEU QB 4.740 . 4.740 5.018 4.153 5.589 0.849 18 9 "[****. -1 ** + *]" 1
1127 1 60 VAL QG 1 77 LEU QD 3.720 . 3.720 2.584 1.940 3.278 . 0 0 "[ . 1 . 2]" 1
1128 1 53 LEU HA 1 53 LEU QD 3.290 . 3.290 1.928 1.850 2.047 . 0 0 "[ . 1 . 2]" 1
1129 1 12 ARG QD 1 53 LEU QD 5.110 . 5.110 2.655 2.075 3.698 . 0 0 "[ . 1 . 2]" 1
1130 1 12 ARG HB2 1 53 LEU QD 3.970 . 3.970 2.022 1.682 2.486 . 0 0 "[ . 1 . 2]" 1
1131 1 53 LEU QD 1 56 LEU QB 4.420 . 4.420 2.833 2.315 3.577 . 0 0 "[ . 1 . 2]" 1
1132 1 43 ILE HG12 1 53 LEU QD 3.550 . 3.550 3.353 2.152 4.057 0.507 4 1 "[ +. 1 . 2]" 1
1133 1 75 LYS QB 1 77 LEU QD 5.500 . 5.500 5.249 4.939 5.814 0.314 5 0 "[ . 1 . 2]" 1
1134 1 31 VAL HA 1 34 VAL QG 3.920 . 3.920 2.443 2.052 2.826 . 0 0 "[ . 1 . 2]" 1
1135 1 33 GLU HB2 1 34 VAL QG 4.320 . 4.320 3.424 3.010 4.086 . 0 0 "[ . 1 . 2]" 1
1136 1 15 LEU HA 1 34 VAL QG 3.640 . 3.640 2.444 1.872 3.058 . 0 0 "[ . 1 . 2]" 1
1137 1 17 GLN QE 1 34 VAL QG 4.530 . 4.530 3.579 2.831 4.142 . 0 0 "[ . 1 . 2]" 1
1138 1 33 GLU HB3 1 34 VAL QG 4.450 . 4.450 4.278 3.908 4.786 0.336 18 0 "[ . 1 . 2]" 1
1139 1 18 ALA MB 1 34 VAL QG 4.410 . 4.410 3.191 2.520 3.701 . 0 0 "[ . 1 . 2]" 1
1140 1 34 VAL QG 1 35 ILE MD . . 4.630 2.553 1.613 4.479 . 0 0 "[ . 1 . 2]" 1
1141 1 28 MET QB 1 32 LEU QD 5.110 . 5.110 3.976 3.656 4.682 . 0 0 "[ . 1 . 2]" 1
1142 1 29 VAL HA 1 29 VAL QG 3.110 . 3.110 2.262 2.142 2.350 . 0 0 "[ . 1 . 2]" 1
1143 1 18 ALA MB 1 29 VAL QG 5.500 . 5.500 5.181 4.807 6.120 0.620 10 1 "[ . + . 2]" 1
1144 1 28 MET HA 1 29 VAL QG 5.500 . 5.500 4.785 4.654 4.895 . 0 0 "[ . 1 . 2]" 1
1145 1 18 ALA MB 1 30 ALA HA 5.500 . 5.500 4.155 3.790 4.810 . 0 0 "[ . 1 . 2]" 1
1146 1 15 LEU HA 1 18 ALA MB 4.060 . 4.060 3.016 2.615 3.592 . 0 0 "[ . 1 . 2]" 1
1147 1 18 ALA MB 1 31 VAL HA 4.880 . 4.880 2.829 2.360 3.375 . 0 0 "[ . 1 . 2]" 1
1148 1 18 ALA MB 1 27 ASN QB 3.890 . 3.890 3.107 2.627 4.037 0.147 8 0 "[ . 1 . 2]" 1
1149 1 18 ALA MB 1 31 VAL HB 4.620 . 4.620 3.446 1.972 4.263 . 0 0 "[ . 1 . 2]" 1
1150 1 17 GLN QB 1 18 ALA MB 5.500 . 5.500 4.521 4.327 4.623 . 0 0 "[ . 1 . 2]" 1
1151 1 18 ALA MB 1 30 ALA MB 3.490 . 3.490 2.156 1.894 2.769 . 0 0 "[ . 1 . 2]" 1
1152 1 18 ALA MB 1 19 ILE MG 4.390 . 4.390 2.601 2.381 2.802 . 0 0 "[ . 1 . 2]" 1
1153 1 44 THR MG 1 46 GLU QB 5.080 . 5.080 3.791 2.268 6.031 0.951 1 1 "[+ . 1 . 2]" 1
1154 1 44 THR HA 1 44 THR MG 3.190 . 3.190 2.393 2.263 3.218 0.028 18 0 "[ . 1 . 2]" 1
1155 1 44 THR MG 1 83 LEU QD 4.850 . 4.850 4.989 2.070 6.767 1.917 1 6 "[+ .** 1 * - *2]" 1
1156 1 31 VAL QG 1 34 VAL HB 4.780 . 4.780 3.819 2.944 5.251 0.471 16 0 "[ . 1 . 2]" 1
1157 1 9 GLN HA 1 51 THR MG 3.860 . 3.860 2.880 1.720 4.282 0.422 4 0 "[ . 1 . 2]" 1
1158 1 12 ARG QD 1 51 THR MG . . 4.790 2.934 1.852 3.868 . 0 0 "[ . 1 . 2]" 1
1159 1 9 GLN HB2 1 51 THR MG 5.410 . 5.410 4.389 2.738 5.919 0.509 4 1 "[ +. 1 . 2]" 1
1160 1 9 GLN HB3 1 51 THR MG 3.980 . 3.980 3.537 2.308 4.824 0.844 4 3 "[ +. 1 *. - 2]" 1
1161 1 47 ALA MB 1 51 THR MG 4.200 . 4.200 3.812 2.546 4.754 0.554 1 1 "[+ . 1 . 2]" 1
1162 1 51 THR MG 1 53 LEU QD 4.300 . 4.300 3.190 2.020 3.807 . 0 0 "[ . 1 . 2]" 1
1163 1 29 VAL QG 1 32 LEU HB2 4.850 . 4.850 3.574 3.151 4.347 . 0 0 "[ . 1 . 2]" 1
1164 1 29 VAL QG 1 30 ALA MB . . 4.560 3.179 2.764 3.983 . 0 0 "[ . 1 . 2]" 1
1165 1 60 VAL QG 1 73 ALA MB 4.470 . 4.470 3.339 2.685 3.796 . 0 0 "[ . 1 . 2]" 1
1166 1 30 ALA MB 1 33 GLU QG 5.500 . 5.500 4.173 3.431 4.891 . 0 0 "[ . 1 . 2]" 1
1167 1 18 ALA HA 1 30 ALA MB 4.700 . 4.700 2.684 1.908 3.476 . 0 0 "[ . 1 . 2]" 1
1168 1 27 ASN QB 1 30 ALA MB 4.110 . 4.110 2.087 1.782 2.320 . 0 0 "[ . 1 . 2]" 1
1169 1 30 ALA MB 1 31 VAL HA 5.400 . 5.400 3.919 3.806 4.028 . 0 0 "[ . 1 . 2]" 1
1170 1 64 THR MG 1 67 GLU HA 4.610 . 4.610 2.592 1.954 3.105 . 0 0 "[ . 1 . 2]" 1
1171 1 64 THR MG 1 70 ALA HA 3.880 . 3.880 3.642 2.924 4.319 0.439 16 0 "[ . 1 . 2]" 1
1172 1 64 THR MG 1 69 LEU HB3 4.570 . 4.570 4.036 3.184 5.085 0.515 16 1 "[ . 1 .+ 2]" 1
1173 1 64 THR MG 1 70 ALA MB 3.410 . 3.410 1.820 1.480 2.248 . 0 0 "[ . 1 . 2]" 1
1174 1 64 THR MG 1 69 LEU QD 3.570 . 3.570 4.038 3.269 5.134 1.564 16 9 "[ - *. 1*** *+ **2]" 1
1175 1 47 ALA MB 1 51 THR HB 5.440 . 5.440 4.862 2.626 5.760 0.320 11 0 "[ . 1 . 2]" 1
1176 1 8 PRO QB 1 47 ALA MB 4.560 . 4.560 2.299 1.810 3.245 . 0 0 "[ . 1 . 2]" 1
1177 1 43 ILE MG 1 47 ALA MB 4.700 . 4.700 2.296 1.888 2.995 . 0 0 "[ . 1 . 2]" 1
1178 1 47 ALA MB 1 48 LEU HA 5.130 . 5.130 3.838 3.688 3.949 . 0 0 "[ . 1 . 2]" 1
1179 1 82 LYS HA 1 87 ALA MB 3.400 . 3.400 3.737 2.170 5.280 1.880 17 7 "[ * * *- .*+ *2]" 1
1180 1 11 ILE HA 1 38 LEU QD 5.500 . 5.500 4.960 4.039 6.028 0.528 17 1 "[ . 1 . + 2]" 1
1181 1 69 LEU QD 1 70 ALA MB 5.120 . 5.120 3.910 3.747 4.220 . 0 0 "[ . 1 . 2]" 1
1182 1 3 ALA HA 1 4 ALA MB 4.950 . 4.950 4.263 3.830 4.913 . 0 0 "[ . 1 . 2]" 1
1183 1 4 ALA MB 1 5 PRO HD3 3.640 . 3.640 3.665 3.053 4.282 0.642 4 1 "[ +. 1 . 2]" 1
1184 1 83 LEU HA 1 84 ILE MG 5.200 . 5.200 4.827 4.580 6.168 0.968 9 1 "[ . +1 . 2]" 1
1185 1 84 ILE MG 1 85 GLU QG 5.400 . 5.400 4.505 1.714 6.011 0.611 14 1 "[ . 1 +. 2]" 1
1186 1 67 GLU HA 1 70 ALA MB 3.360 . 3.360 2.830 2.302 3.794 0.434 2 0 "[ . 1 . 2]" 1
1187 1 67 GLU QB 1 70 ALA MB 5.230 . 5.230 4.131 3.489 5.213 . 0 0 "[ . 1 . 2]" 1
1188 1 72 ARG HB3 1 73 ALA MB 4.160 . 4.160 4.314 3.770 5.056 0.896 1 6 "[+* * 1 -* .* 2]" 1
1189 1 69 LEU QD 1 73 ALA MB 4.470 . 4.470 2.324 1.878 3.388 . 0 0 "[ . 1 . 2]" 1
1190 1 73 ALA MB 1 77 LEU QD 3.890 . 3.890 2.590 2.104 3.057 . 0 0 "[ . 1 . 2]" 1
1191 1 25 ILE MG 1 26 ARG HA 4.790 . 4.790 3.738 3.314 4.278 . 0 0 "[ . 1 . 2]" 1
1192 1 25 ILE MG 1 28 MET HA 3.500 . 3.500 2.794 2.216 3.631 0.131 2 0 "[ . 1 . 2]" 1
1193 1 25 ILE MG 1 28 MET QB 3.620 . 3.620 2.962 2.032 3.992 0.372 14 0 "[ . 1 . 2]" 1
1194 1 25 ILE MG 1 31 VAL QG 3.840 . 3.840 2.754 1.657 3.964 0.124 4 0 "[ . 1 . 2]" 1
1195 1 25 ILE MG 1 63 LYS QG 5.500 . 5.500 4.891 4.042 6.487 0.987 14 1 "[ . 1 +. 2]" 1
1196 1 57 ILE MG 1 81 GLN QE 5.500 . 5.500 3.806 3.027 5.525 0.025 4 0 "[ . 1 . 2]" 1
1197 1 57 ILE MG 1 80 TRP HZ3 5.500 . 5.500 4.539 3.572 5.913 0.413 13 0 "[ . 1 . 2]" 1
1198 1 57 ILE MG 1 58 ASN HA 4.930 . 4.930 3.475 3.289 3.642 . 0 0 "[ . 1 . 2]" 1
1199 1 57 ILE MG 1 77 LEU HG 4.050 . 4.050 2.591 1.870 3.728 . 0 0 "[ . 1 . 2]" 1
1200 1 54 GLY HA2 1 57 ILE MG 5.500 . 5.500 4.720 4.013 5.490 . 0 0 "[ . 1 . 2]" 1
1201 1 19 ILE HA 1 19 ILE MG 3.470 . 3.470 2.377 2.335 2.427 . 0 0 "[ . 1 . 2]" 1
1202 1 18 ALA HA 1 19 ILE MG 5.500 . 5.500 4.235 4.014 4.429 . 0 0 "[ . 1 . 2]" 1
1203 1 15 LEU HA 1 19 ILE MG 4.730 . 4.730 4.515 3.862 5.388 0.658 16 1 "[ . 1 .+ 2]" 1
1204 1 19 ILE MG 1 25 ILE HA 3.480 . 3.480 2.212 1.569 3.679 0.199 2 0 "[ . 1 . 2]" 1
1205 1 19 ILE MG 1 23 SER HA 4.150 . 4.150 4.107 3.038 5.018 0.868 5 4 "[ + 1- * . * 2]" 1
1206 1 19 ILE MG 1 31 VAL HB 5.430 . 5.430 4.324 2.708 5.504 0.074 3 0 "[ . 1 . 2]" 1
1207 1 15 LEU QB 1 19 ILE MG 4.830 . 4.830 5.102 3.825 5.822 0.992 19 7 "[ **. **1 -.* +2]" 1
1208 1 19 ILE MG 1 31 VAL QG 3.910 . 3.910 2.580 1.950 3.604 . 0 0 "[ . 1 . 2]" 1
1209 1 15 LEU QD 1 19 ILE MG 3.520 . 3.520 3.190 2.508 4.335 0.815 13 4 "[ . *-1 + * 2]" 1
1210 1 19 ILE MD 1 19 ILE MG 3.450 . 3.450 1.964 1.934 1.998 . 0 0 "[ . 1 . 2]" 1
1211 1 19 ILE MG 1 31 VAL HA 5.500 . 5.500 4.624 4.043 5.442 . 0 0 "[ . 1 . 2]" 1
1212 1 34 VAL QG 1 35 ILE MG 5.320 . 5.320 4.730 4.344 4.936 . 0 0 "[ . 1 . 2]" 1
1213 1 35 ILE MG 1 36 SER HA 4.780 . 4.780 3.125 2.969 3.684 . 0 0 "[ . 1 . 2]" 1
1214 1 35 ILE MG 1 36 SER HB3 4.430 . 4.430 4.654 3.844 5.386 0.956 9 3 "[* . +1 . -]" 1
1215 1 43 ILE MG 1 80 TRP HZ2 4.950 . 4.950 4.961 3.970 6.022 1.072 18 3 "[ . 1- . *+ 2]" 1
1216 1 43 ILE MG 1 80 TRP HD1 5.500 . 5.500 5.407 4.073 6.394 0.894 20 4 "[ . - 1 * . * +]" 1
1217 1 43 ILE MG 1 48 LEU HA 5.500 . 5.500 3.103 2.124 4.519 . 0 0 "[ . 1 . 2]" 1
1218 1 8 PRO QB 1 43 ILE MG 4.580 . 4.580 2.128 1.664 2.918 . 0 0 "[ . 1 . 2]" 1
1219 1 43 ILE MG 1 48 LEU QB 5.020 . 5.020 3.148 2.092 4.994 . 0 0 "[ . 1 . 2]" 1
1220 1 43 ILE MG 1 48 LEU HG 4.350 . 4.350 4.235 2.655 5.671 1.321 5 3 "[ + * 1- . 2]" 1
1221 1 38 LEU QD 1 43 ILE MG 4.490 . 4.490 4.464 4.137 5.200 0.710 15 2 "[ . -1 + 2]" 1
1222 1 25 ILE MD 1 28 MET HA 3.800 . 3.800 3.787 2.594 5.126 1.326 14 6 "[ ** * +. * -]" 1
1223 1 25 ILE MD 1 28 MET QG 5.500 . 5.500 4.533 3.160 6.653 1.153 14 1 "[ . 1 +. 2]" 1
1224 1 25 ILE MD 1 31 VAL HB 4.500 . 4.500 3.763 2.761 5.027 0.527 2 1 "[ + . 1 . 2]" 1
1225 1 25 ILE HB 1 25 ILE MD 3.540 . 3.540 3.243 3.237 3.251 . 0 0 "[ . 1 . 2]" 1
1226 1 25 ILE MD 1 64 THR MG 5.340 . 5.340 6.505 5.832 7.164 1.824 6 19 "[* ***+*****-********]" 1
1227 1 25 ILE MD 1 31 VAL QG 4.000 . 4.000 2.192 1.746 3.427 . 0 0 "[ . 1 . 2]" 1
1228 1 19 ILE MD 1 25 ILE HA 5.450 . 5.450 5.069 4.449 6.222 0.772 2 2 "[ + . - 1 . 2]" 1
1229 1 19 ILE MD 1 23 SER HA 4.000 . 4.000 2.482 1.659 4.019 0.019 5 0 "[ . 1 . 2]" 1
1230 1 15 LEU HA 1 19 ILE MD 4.420 . 4.420 4.589 3.846 5.203 0.783 2 6 "[ +-*. * .* * 2]" 1
1231 1 15 LEU QB 1 19 ILE MD . . 4.380 3.948 2.308 4.573 0.193 19 0 "[ . 1 . 2]" 1
1232 1 15 LEU QD 1 19 ILE MD 3.690 . 3.690 2.257 1.931 3.657 . 0 0 "[ . 1 . 2]" 1
1233 1 43 ILE MD 1 80 TRP HH2 5.440 . 5.440 2.787 1.819 4.008 . 0 0 "[ . 1 . 2]" 1
1234 1 43 ILE MD 1 80 TRP HZ2 4.730 . 4.730 3.386 2.240 4.658 . 0 0 "[ . 1 . 2]" 1
1235 1 43 ILE HA 1 43 ILE MD 3.970 . 3.970 3.597 2.102 3.877 . 0 0 "[ . 1 . 2]" 1
1236 1 38 LEU HA 1 43 ILE MD 5.500 . 5.500 4.883 3.155 5.922 0.422 17 0 "[ . 1 . 2]" 1
1237 1 8 PRO HA 1 43 ILE MD 4.880 . 4.880 4.294 2.752 5.647 0.767 3 2 "[ + . 1 . - 2]" 1
1238 1 8 PRO QB 1 43 ILE MD 4.170 . 4.170 3.376 1.933 4.196 0.026 3 0 "[ . 1 . 2]" 1
1239 1 43 ILE HB 1 43 ILE MD 3.560 . 3.560 2.476 2.398 3.250 . 0 0 "[ . 1 . 2]" 1
1240 1 38 LEU QD 1 43 ILE MD 3.970 . 3.970 2.412 1.952 3.103 . 0 0 "[ . 1 . 2]" 1
1241 1 43 ILE MD 1 53 LEU QD 3.810 . 3.810 2.274 1.527 3.556 . 0 0 "[ . 1 . 2]" 1
1242 1 43 ILE MD 1 43 ILE MG 3.590 . 3.590 2.155 1.919 3.269 . 0 0 "[ . 1 . 2]" 1
1243 1 84 ILE HA 1 84 ILE MD 4.320 . 4.320 4.000 3.163 4.208 . 0 0 "[ . 1 . 2]" 1
1244 1 84 ILE HB 1 84 ILE MD 3.710 . 3.710 2.422 2.340 2.478 . 0 0 "[ . 1 . 2]" 1
1245 1 8 PRO HA 1 11 ILE MD 3.800 . 3.800 2.122 1.657 4.127 0.327 10 0 "[ . 1 . 2]" 1
1246 1 11 ILE HA 1 11 ILE MD 4.270 . 4.270 3.376 2.048 3.857 . 0 0 "[ . 1 . 2]" 1
1247 1 11 ILE MD 1 41 TYR QB 5.500 . 5.500 3.121 2.322 4.178 . 0 0 "[ . 1 . 2]" 1
1248 1 11 ILE HB 1 11 ILE MD 3.700 . 3.700 2.477 2.369 3.246 . 0 0 "[ . 1 . 2]" 1
1249 1 11 ILE MD 1 38 LEU QD 3.550 . 3.550 3.073 1.950 4.641 1.091 17 2 "[ . 1 . +- 2]" 1
1250 1 11 ILE MD 1 11 ILE MG 3.470 . 3.470 2.406 1.918 3.275 . 0 0 "[ . 1 . 2]" 1
1251 1 57 ILE MD 1 81 GLN QE 4.510 . 4.510 2.395 2.002 3.220 . 0 0 "[ . 1 . 2]" 1
1252 1 57 ILE MD 1 80 TRP HZ3 4.930 . 4.930 3.502 2.689 4.522 . 0 0 "[ . 1 . 2]" 1
1253 1 54 GLY HA3 1 57 ILE MD 5.010 . 5.010 3.539 3.137 4.072 . 0 0 "[ . 1 . 2]" 1
1254 1 32 LEU HA 1 35 ILE MD 4.820 . 4.820 2.982 2.147 3.304 . 0 0 "[ . 1 . 2]" 1
1255 1 35 ILE HA 1 35 ILE MD 3.640 . 3.640 2.703 2.346 3.845 0.205 9 0 "[ . 1 . 2]" 1
1256 1 18 ALA MB 1 35 ILE MD 5.500 . 5.500 5.156 4.542 6.123 0.623 9 1 "[ . +1 . 2]" 1
1257 1 35 ILE MD 1 38 LEU QD 4.390 . 4.390 3.519 2.935 4.389 . 0 0 "[ . 1 . 2]" 1
1258 1 31 VAL QG 1 35 ILE MD 3.350 . 3.350 2.160 1.787 3.173 . 0 0 "[ . 1 . 2]" 1
1259 1 35 ILE MD 1 35 ILE MG 3.080 . 3.080 3.202 1.961 3.274 0.194 16 0 "[ . 1 . 2]" 1
1260 1 34 VAL HB 1 35 ILE MD 5.500 . 5.500 2.967 2.219 4.511 . 0 0 "[ . 1 . 2]" 1
1261 1 40 LYS H 1 41 TYR QD 5.360 . 5.360 4.114 3.678 4.746 . 0 0 "[ . 1 . 2]" 1
1262 1 5 PRO HD2 1 41 TYR QD 5.400 . 5.400 4.050 2.482 5.874 0.474 5 0 "[ . 1 . 2]" 1
1263 1 42 PRO QB 1 80 TRP HD1 5.070 . 5.070 3.751 2.610 4.957 . 0 0 "[ . 1 . 2]" 1
1264 1 77 LEU HA 1 80 TRP HD1 5.200 . 5.200 4.687 3.139 5.493 0.293 15 0 "[ . 1 . 2]" 1
1265 1 45 LYS H 1 80 TRP HD1 5.360 . 5.360 6.049 4.382 7.185 1.825 20 11 "[ .** ***-* .*** +]" 1
1266 1 48 LEU QD 1 80 TRP HD1 5.150 . 5.150 4.482 3.343 5.455 0.305 11 0 "[ . 1 . 2]" 1
1267 1 80 TRP HD1 1 81 GLN H 5.390 . 5.390 4.754 4.255 5.074 . 0 0 "[ . 1 . 2]" 1
1268 1 80 TRP HD1 1 82 LYS H 5.460 . 5.460 5.664 5.327 5.943 0.483 17 0 "[ . 1 . 2]" 1
1269 1 42 PRO QG 1 80 TRP HZ2 5.280 . 5.280 5.744 4.856 6.481 1.201 13 10 "[ * *. * ***+ - ** 2]" 1
1270 1 43 ILE HB 1 80 TRP HZ2 5.220 . 5.220 3.584 2.296 4.774 . 0 0 "[ . 1 . 2]" 1
1271 1 38 LEU HA 1 80 TRP HZ2 5.290 . 5.290 4.883 3.891 5.777 0.487 3 0 "[ . 1 . 2]" 1
1272 1 42 PRO QB 1 80 TRP HZ2 5.180 . 5.180 4.013 3.385 4.627 . 0 0 "[ . 1 . 2]" 1
1273 1 77 LEU QD 1 80 TRP HZ2 5.300 . 5.300 4.325 3.330 5.102 . 0 0 "[ . 1 . 2]" 1
1274 1 60 VAL HB 1 80 TRP HH2 5.160 . 5.160 6.028 4.552 6.993 1.833 18 13 "[*- **** 1* *** +**]" 1
1275 1 57 ILE H 1 80 TRP HH2 5.220 . 5.220 6.036 5.469 6.741 1.521 15 15 "[** **** *1****+ *-*]" 1
1276 1 42 PRO HA 1 80 TRP HH2 5.420 . 5.420 5.469 4.785 6.156 0.736 8 5 "[ - . + * * . * 2]" 1
1277 1 42 PRO QB 1 80 TRP HH2 5.480 . 5.480 6.115 5.601 6.639 1.159 13 12 "[ * ** * ***+ ***- 2]" 1
1278 1 57 ILE QG 1 80 TRP HH2 5.300 . 5.300 4.415 3.970 5.326 0.026 13 0 "[ . 1 . 2]" 1
1279 1 56 LEU QD 1 80 TRP HE3 5.180 . 5.180 4.878 3.951 6.672 1.492 17 2 "[ . 1- . + 2]" 1
1280 1 77 LEU QD 1 80 TRP HE3 5.160 . 5.160 4.085 2.950 4.974 . 0 0 "[ . 1 . 2]" 1
1281 1 77 LEU HG 1 80 TRP HE3 5.300 . 5.300 4.175 3.172 6.364 1.064 11 1 "[ . 1+ . 2]" 1
1282 1 57 ILE MG 1 80 TRP HE3 5.190 . 5.190 4.466 3.770 5.609 0.419 4 0 "[ . 1 . 2]" 1
1283 1 43 ILE MG 1 80 TRP HE3 5.160 . 5.160 4.840 4.055 6.248 1.088 15 1 "[ . 1 + 2]" 1
1284 1 43 ILE MD 1 80 TRP HE3 5.300 . 5.300 4.649 3.175 6.079 0.779 19 1 "[ . 1 . +2]" 1
1285 1 57 ILE MD 1 80 TRP HE3 5.180 . 5.180 2.235 1.736 3.248 . 0 0 "[ . 1 . 2]" 1
1286 1 57 ILE HB 1 80 TRP HE3 5.100 . 5.100 5.338 4.753 6.543 1.443 4 5 "[ +. 1* -* * 2]" 1
1287 1 82 LYS HA 1 88 HIS HD2 5.410 . 5.410 4.356 1.979 5.280 . 0 0 "[ . 1 . 2]" 1
1288 1 80 TRP HE3 1 81 GLN QE 5.230 . 5.230 4.050 3.341 5.446 0.216 13 0 "[ . 1 . 2]" 1
1289 1 57 ILE H 1 80 TRP HE3 5.140 . 5.140 5.245 4.538 6.104 0.964 4 5 "[* +. 1- *. * 2]" 1
1290 1 82 LYS QE 1 88 HIS HD2 5.280 . 5.280 5.072 2.951 7.050 1.770 10 7 "[ *.* + * ** -]" 1
1291 1 88 HIS HD2 1 91 GLU QG 5.170 . 5.170 5.832 2.912 7.030 1.860 3 11 "[* + .- * * ***.* **]" 1
1292 1 82 LYS QB 1 88 HIS HD2 5.120 . 5.120 3.657 1.661 5.238 0.118 16 0 "[ . 1 . 2]" 1
1293 1 82 LYS QG 1 88 HIS HD2 5.280 . 5.280 4.033 2.006 6.173 0.893 4 2 "[ +. 1 . -2]" 1
1294 1 57 ILE QG 1 80 TRP HZ3 5.180 . 5.180 2.458 1.767 3.538 . 0 0 "[ . 1 . 2]" 1
1295 1 77 LEU HA 1 80 TRP HZ3 5.090 . 5.090 4.868 3.643 6.592 1.502 20 5 "[ * * 1- * . +]" 1
1296 1 48 LEU HG 1 80 TRP HZ3 5.280 . 5.280 5.625 3.594 6.997 1.717 8 11 "[*-* * +** * ** * 2]" 1
1297 1 57 ILE HA 1 80 TRP HZ3 5.380 . 5.380 3.921 2.734 5.052 . 0 0 "[ . 1 . 2]" 1
1298 1 56 LEU H 1 80 TRP HZ3 5.180 . 5.180 5.578 4.991 6.190 1.010 12 9 "[* *. *1*+ ** -* 2]" 1
1299 1 48 LEU QD 1 80 TRP HZ3 . . 5.300 3.470 2.480 4.687 . 0 0 "[ . 1 . 2]" 1
1300 1 53 LEU QB 1 80 TRP HZ3 . . 5.250 4.171 2.250 5.295 0.045 8 0 "[ . 1 . 2]" 1
1301 1 56 LEU QD 1 80 TRP HZ3 5.300 . 5.300 2.985 1.874 5.421 0.121 17 0 "[ . 1 . 2]" 1
1302 1 56 LEU QB 1 80 TRP HZ3 5.140 . 5.140 3.618 2.696 5.109 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 74
_Distance_constraint_stats_list.Viol_count 1364
_Distance_constraint_stats_list.Viol_total 14682.401
_Distance_constraint_stats_list.Viol_max 1.846
_Distance_constraint_stats_list.Viol_rms 0.3965
_Distance_constraint_stats_list.Viol_average_all_restraints 0.4960
_Distance_constraint_stats_list.Viol_average_violations_only 0.5382
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 8 PRO 11.236 0.990 17 6 "[ -* * . + **]"
1 9 GLN 22.627 1.023 11 17 "[****** * *+***.*****]"
1 10 GLN 16.946 1.029 4 14 "[** +** ****-*.*** 2]"
1 11 ILE 27.284 1.029 12 15 "[** **** -**+ *. ****]"
1 12 ARG 33.593 1.023 11 17 "[****** * *+*-*.*****]"
1 13 ASP 40.646 1.118 19 19 "[-***** ***********+*]"
1 14 ARG 64.393 1.846 18 20 [********-********+**]
1 15 LEU 10.967 1.011 14 8 "[ * .* ** -+. ** 2]"
1 16 LEU 72.046 1.846 18 20 [-****************+**]
1 28 MET 20.177 1.111 10 19 "[*******-*+***** ****]"
1 29 VAL 22.980 1.188 15 19 "[******** ***-*+*****]"
1 30 ALA 17.162 0.818 18 17 "[********** ***- *+ *]"
1 31 VAL 27.714 1.111 10 19 "[*********+***-* ****]"
1 32 LEU 54.383 1.344 3 20 [**+**-**************]
1 33 GLU 48.380 1.462 11 20 [**********+***-*****]
1 34 VAL 25.825 1.116 15 17 "[******** ****-+ ** *]"
1 35 ILE 47.352 1.344 3 20 [**+**-**************]
1 36 SER 31.218 1.462 11 20 [*-********+*********]
1 37 SER 18.288 1.116 15 17 "[*******- *****+ ** *]"
1 38 LEU 15.949 0.897 15 19 "[******* ******+**-**]"
1 45 LYS 20.221 0.951 6 17 "[** *.+-***** *******]"
1 46 GLU 28.757 1.576 18 19 "[***** ********-**+**]"
1 48 LEU 20.221 0.951 6 17 "[** *.+-***** *******]"
1 49 GLU 28.757 1.576 18 19 "[***** ********-**+**]"
1 52 ARG 14.172 1.103 13 6 "[* * -* + . *2]"
1 53 LEU 5.295 0.424 9 0 "[ . 1 . 2]"
1 54 GLY 9.730 0.546 7 4 "[ * + 1 * -]"
1 55 LYS 27.056 1.103 13 15 "[** -******* + .** **]"
1 56 LEU 23.077 1.053 18 17 "[******* *** -*.**+**]"
1 57 ILE 60.504 1.826 11 20 [**********+********-]
1 58 ASN 39.865 1.169 14 20 [***-*********+******]
1 59 ASP 17.783 1.053 18 17 "[******* *** -*.**+**]"
1 60 VAL 50.774 1.826 11 20 [-*********+*********]
1 61 ARG 26.981 1.169 14 20 [-************+******]
1 67 GLU 15.829 0.881 5 15 "[** +* **1-***.*****]"
1 68 GLU 18.506 1.012 18 14 "[ ***. ***1 ****-*+*2]"
1 69 LEU 8.343 0.738 11 7 "[ - * * *+ *. * 2]"
1 70 ALA 37.953 1.228 14 18 "[** *******-**+.*****]"
1 71 LYS 45.817 1.152 6 20 [*****+*********-****]
1 72 ARG 27.688 1.166 11 13 "[ *- *** *+***. ***2]"
1 73 ALA 26.372 1.228 14 19 "[** -*********+******]"
1 74 LYS 47.900 1.479 15 20 [*****-********+*****]
1 75 LYS 40.901 1.180 7 20 [******+*****-*******]
1 76 LEU 11.743 0.720 13 6 "[ .* ** + * -2]"
1 77 LEU 25.529 1.479 15 19 "[*****-********+ ****]"
1 78 ARG 37.959 1.180 7 19 "[******+*** *-*******]"
1 79 SER 53.745 1.702 18 19 "[************ ****+-*]"
1 80 TRP 4.940 0.596 13 1 "[ . 1 + . 2]"
1 81 GLN 16.404 0.985 17 15 "[*-*** ***1 **.*+***]"
1 82 LYS 46.250 1.702 18 19 "[****-******* ****+**]"
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 8 PRO O 1 11 ILE N 3.000 . 3.000 3.079 2.892 3.411 0.411 17 0 "[ . 1 . 2]" 2
2 1 8 PRO O 1 11 ILE H 2.000 . 2.000 2.463 2.187 2.990 0.990 17 6 "[ -* * . + **]" 2
3 1 9 GLN O 1 12 ARG N 3.000 . 3.000 3.391 3.156 3.675 0.675 3 4 "[ + . 1- * . *2]" 2
4 1 9 GLN O 1 12 ARG H 2.000 . 2.000 2.740 2.383 3.023 1.023 11 17 "[*-**** * *+***.*****]" 2
5 1 10 GLN O 1 13 ASP N 3.000 . 3.000 3.211 2.950 3.433 0.433 4 0 "[ . 1 . 2]" 2
6 1 10 GLN O 1 13 ASP H 2.000 . 2.000 2.633 2.147 3.029 1.029 4 14 "[** +** ****-*.*** 2]" 2
7 1 11 ILE O 1 14 ARG N 3.000 . 3.000 3.172 2.858 3.478 0.478 12 0 "[ . 1 . 2]" 2
8 1 11 ILE O 1 14 ARG H 2.000 . 2.000 2.619 2.138 3.029 1.029 12 13 "[** **** -**+ *. ** 2]" 2
9 1 12 ARG O 1 15 LEU N 3.000 . 3.000 3.083 2.822 3.565 0.565 14 1 "[ . 1 +. 2]" 2
10 1 12 ARG O 1 15 LEU H 2.000 . 2.000 2.446 2.113 3.011 1.011 14 8 "[ * .* ** -+. ** 2]" 2
11 1 13 ASP O 1 16 LEU N 3.000 . 3.000 3.375 2.989 3.753 0.753 19 6 "[- . 1 * ** * +2]" 2
12 1 13 ASP O 1 16 LEU H 2.000 . 2.000 2.809 2.462 3.118 1.118 19 18 "[****-* * *********+*]" 2
13 1 14 ARG O 1 16 LEU N 3.000 . 3.000 3.656 3.371 3.754 0.754 18 19 "[*********** *****+-*]" 2
14 1 14 ARG O 1 16 LEU H 2.000 . 2.000 3.761 3.379 3.846 1.846 18 20 [***********-*****+**] 2
15 1 28 MET O 1 31 VAL N 3.000 . 3.000 3.244 3.034 3.556 0.556 10 1 "[ . + . 2]" 2
16 1 28 MET O 1 31 VAL H 2.000 . 2.000 2.764 2.414 3.111 1.111 10 19 "[*******-*+***** ****]" 2
17 1 29 VAL O 1 32 LEU N 3.000 . 3.000 3.304 3.001 3.720 0.720 15 3 "[ . 1* - + 2]" 2
18 1 29 VAL O 1 32 LEU H 2.000 . 2.000 2.845 2.490 3.188 1.188 15 19 "[**-***** *****+*****]" 2
19 1 30 ALA O 1 33 GLU N 3.000 . 3.000 3.237 3.083 3.506 0.506 15 1 "[ . 1 + 2]" 2
20 1 30 ALA O 1 33 GLU H 2.000 . 2.000 2.621 2.463 2.818 0.818 18 17 "[********-* **** *+ *]" 2
21 1 31 VAL O 1 34 VAL N 3.000 . 3.000 2.952 2.841 3.079 0.079 16 0 "[ . 1 . 2]" 2
22 1 31 VAL O 1 34 VAL H 2.000 . 2.000 2.365 2.086 2.505 0.505 14 1 "[ . 1 +. 2]" 2
23 1 32 LEU O 1 35 ILE N 3.000 . 3.000 3.476 3.173 3.730 0.730 3 10 "[**+ *- * 1 * *. **2]" 2
24 1 32 LEU O 1 35 ILE H 2.000 . 2.000 3.094 2.439 3.344 1.344 3 19 [**+*******-***.*****] 2
25 1 33 GLU O 1 36 SER N 3.000 . 3.000 3.480 3.206 3.875 0.875 11 8 "[*- * ** 1+ * .* 2]" 2
26 1 33 GLU O 1 36 SER H 2.000 . 2.000 3.081 2.795 3.462 1.462 11 20 [**********+-********] 2
27 1 34 VAL O 1 37 SER N 3.000 . 3.000 3.209 3.001 3.480 0.480 10 0 "[ . 1 . 2]" 2
28 1 34 VAL O 1 37 SER H 2.000 . 2.000 2.706 2.306 3.116 1.116 15 17 "[*******- *****+ ** *]" 2
29 1 35 ILE O 1 38 LEU N 3.000 . 3.000 3.130 3.031 3.427 0.427 15 0 "[ . 1 . 2]" 2
30 1 35 ILE O 1 38 LEU H 2.000 . 2.000 2.667 2.490 2.897 0.897 15 19 "[******* ******+**-**]" 2
31 1 45 LYS O 1 48 LEU N 3.000 . 3.000 3.333 3.088 3.750 0.750 6 4 "[ .+- 1 . * *2]" 2
32 1 45 LYS O 1 48 LEU H 2.000 . 2.000 2.678 2.370 2.951 0.951 6 17 "[** *.+****** ******-]" 2
33 1 46 GLU O 1 49 GLU N 3.000 . 3.000 3.503 3.052 4.195 1.195 18 11 "[*** * **1 ***- + 2]" 2
34 1 46 GLU O 1 49 GLU H 2.000 . 2.000 2.935 2.461 3.576 1.576 18 19 "[***** ***********+*-]" 2
35 1 52 ARG O 1 55 LYS N 3.000 . 3.000 3.305 2.902 3.941 0.941 13 4 "[* * 1- + . 2]" 2
36 1 52 ARG O 1 55 LYS H 2.000 . 2.000 2.395 2.008 3.103 1.103 13 6 "[* * -* + . *2]" 2
37 1 53 LEU O 1 56 LEU N 3.000 . 3.000 2.960 2.790 3.092 0.092 8 0 "[ . 1 . 2]" 2
38 1 53 LEU O 1 56 LEU H 2.000 . 2.000 2.251 2.123 2.424 0.424 9 0 "[ . 1 . 2]" 2
39 1 54 GLY O 1 57 ILE N 3.000 . 3.000 3.124 2.977 3.450 0.450 15 0 "[ . 1 . 2]" 2
40 1 54 GLY O 1 57 ILE H 2.000 . 2.000 2.361 2.118 2.546 0.546 7 4 "[ * + 1 * -]" 2
41 1 55 LYS O 1 58 ASN N 3.000 . 3.000 3.139 2.848 3.491 0.491 20 0 "[ . 1 . 2]" 2
42 1 55 LYS O 1 58 ASN H 2.000 . 2.000 2.488 2.167 2.901 0.901 7 11 "[** -.*+**1* .** *]" 2
43 1 56 LEU O 1 59 ASP N 3.000 . 3.000 3.163 2.760 3.444 0.444 18 0 "[ . 1 . 2]" 2
44 1 56 LEU O 1 59 ASP H 2.000 . 2.000 2.707 2.167 3.053 1.053 18 17 "[******* *** -*.**+**]" 2
45 1 57 ILE O 1 60 VAL N 3.000 . 3.000 4.028 3.721 4.485 1.485 11 20 [-*********+*********] 2
46 1 57 ILE O 1 60 VAL H 2.000 . 2.000 3.511 3.299 3.826 1.826 11 20 [-*********+*********] 2
47 1 58 ASN O 1 61 ARG N 3.000 . 3.000 3.480 3.138 3.830 0.830 20 9 "[- * * 1 **** *+]" 2
48 1 58 ASN O 1 61 ARG H 2.000 . 2.000 2.869 2.619 3.169 1.169 14 20 [*************+*-****] 2
49 1 67 GLU O 1 70 ALA N 3.000 . 3.000 3.210 2.933 3.640 0.640 2 1 "[ + . 1 . 2]" 2
50 1 67 GLU O 1 70 ALA H 2.000 . 2.000 2.577 2.321 2.881 0.881 5 15 "[** +* **1-***.*****]" 2
51 1 68 GLU O 1 71 LYS N 3.000 . 3.000 3.310 3.013 3.689 0.689 15 2 "[ . 1 + - 2]" 2
52 1 68 GLU O 1 71 LYS H 2.000 . 2.000 2.615 2.353 3.012 1.012 18 14 "[ ***. ***1 ****-*+*2]" 2
53 1 69 LEU O 1 72 ARG N 3.000 . 3.000 2.941 2.719 3.184 0.184 14 0 "[ . 1 . 2]" 2
54 1 69 LEU O 1 72 ARG H 2.000 . 2.000 2.376 1.938 2.738 0.738 11 7 "[ - * * *+ *. * 2]" 2
55 1 70 ALA O 1 73 ALA N 3.000 . 3.000 3.285 2.903 3.747 0.747 14 2 "[- . 1 +. 2]" 2
56 1 70 ALA O 1 73 ALA H 2.000 . 2.000 2.817 2.445 3.228 1.228 14 18 "[** -*********+.*****]" 2
57 1 71 LYS O 1 74 LYS N 3.000 . 3.000 3.539 3.206 3.891 0.891 16 12 "[****.**- 1 ***.+ * 2]" 2
58 1 71 LYS O 1 74 LYS H 2.000 . 2.000 2.827 2.535 3.152 1.152 6 20 [*****+****-*********] 2
59 1 72 ARG O 1 75 LYS N 3.000 . 3.000 3.377 3.048 3.970 0.970 11 7 "[ * *- *+ *. * 2]" 2
60 1 72 ARG O 1 75 LYS H 2.000 . 2.000 2.590 2.226 3.166 1.166 11 11 "[ * ** *+*-*. ***2]" 2
61 1 73 ALA O 1 76 LEU N 3.000 . 3.000 2.846 2.701 3.180 0.180 13 0 "[ . 1 . 2]" 2
62 1 73 ALA O 1 76 LEU H 2.000 . 2.000 2.201 2.040 2.720 0.720 13 2 "[ . 1 + - 2]" 2
63 1 74 LYS O 1 77 LEU N 3.000 . 3.000 3.242 2.845 3.976 0.976 15 2 "[ . 1- + 2]" 2
64 1 74 LYS O 1 77 LEU H 2.000 . 2.000 2.777 2.329 3.479 1.479 15 19 "[*****-********+ ****]" 2
65 1 75 LYS O 1 78 ARG N 3.000 . 3.000 3.354 3.123 3.610 0.610 7 3 "[* . + 1 - . 2]" 2
66 1 75 LYS O 1 78 ARG H 2.000 . 2.000 2.724 2.289 3.180 1.180 7 18 "[*-****+*** ** ******]" 2
67 1 76 LEU O 1 79 SER N 3.000 . 3.000 3.038 2.865 3.188 0.188 6 0 "[ . 1 . 2]" 2
68 1 76 LEU O 1 79 SER H 2.000 . 2.000 2.313 1.976 2.616 0.616 10 4 "[ .* *+ . -2]" 2
69 1 77 LEU O 1 80 TRP N 3.000 . 3.000 2.976 2.771 3.264 0.264 11 0 "[ . 1 . 2]" 2
70 1 77 LEU O 1 80 TRP H 2.000 . 2.000 2.200 1.972 2.596 0.596 13 1 "[ . 1 + . 2]" 2
71 1 78 ARG O 1 81 GLN N 3.000 . 3.000 3.159 2.882 3.484 0.484 13 0 "[ . 1 . 2]" 2
72 1 78 ARG O 1 81 GLN H 2.000 . 2.000 2.650 2.123 2.985 0.985 17 15 "[*-*** ***1 **.*+***]" 2
73 1 79 SER O 1 82 LYS N 3.000 . 3.000 4.089 2.937 4.607 1.607 10 19 "[****-****+** *******]" 2
74 1 79 SER O 1 82 LYS H 2.000 . 2.000 3.220 2.007 3.702 1.702 18 19 "[********-*** ****+**]" 2
stop_
save_
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