NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
552361 |
2rrl   |
11423 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rrl
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 1574
_Distance_constraint_stats_list.Viol_count 1084
_Distance_constraint_stats_list.Viol_total 4347.897
_Distance_constraint_stats_list.Viol_max 1.875
_Distance_constraint_stats_list.Viol_rms 0.0860
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0123
_Distance_constraint_stats_list.Viol_average_violations_only 0.2674
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 MET 0.090 0.090 11 0 "[ . 1 .]"
1 3 ALA 0.349 0.164 4 0 "[ . 1 .]"
1 4 SER 0.259 0.164 4 0 "[ . 1 .]"
1 7 ARG 1.260 0.567 10 1 "[ . + .]"
1 8 ALA 0.295 0.295 10 0 "[ . 1 .]"
1 9 THR 0.965 0.567 10 1 "[ . + .]"
1 11 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 12 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 13 LEU 1.030 0.592 12 1 "[ . 1 + .]"
1 14 THR 0.083 0.083 4 0 "[ . 1 .]"
1 15 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 16 LEU 0.489 0.114 5 0 "[ . 1 .]"
1 17 VAL 0.545 0.179 4 0 "[ . 1 .]"
1 18 VAL 0.469 0.179 4 0 "[ . 1 .]"
1 19 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 20 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 21 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 22 ALA 1.509 0.410 11 0 "[ . 1 .]"
1 23 THR 1.509 0.410 11 0 "[ . 1 .]"
1 25 ALA 0.134 0.134 13 0 "[ . 1 .]"
1 26 LYS 0.134 0.134 13 0 "[ . 1 .]"
1 27 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 28 GLU 0.856 0.716 13 1 "[ . 1 + .]"
1 29 VAL 0.913 0.716 13 1 "[ . 1 + .]"
1 30 ASP 0.219 0.183 7 0 "[ . 1 .]"
1 31 SER 0.183 0.183 7 0 "[ . 1 .]"
1 33 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 34 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 35 PRO 1.011 0.378 13 0 "[ . 1 .]"
1 36 VAL 1.038 0.378 13 0 "[ . 1 .]"
1 37 THR 0.027 0.027 14 0 "[ . 1 .]"
1 40 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 41 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 42 MET 0.000 0.000 . 0 "[ . 1 .]"
1 43 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 44 THR 0.443 0.167 10 0 "[ . 1 .]"
1 45 LEU 2.603 0.678 13 2 "[ -. 1 + .]"
1 47 SER 0.000 0.000 . 0 "[ . 1 .]"
1 48 ALA 0.001 0.001 10 0 "[ . 1 .]"
1 49 THR 0.001 0.001 10 0 "[ . 1 .]"
1 50 ALA 0.117 0.079 8 0 "[ . 1 .]"
1 51 GLN 0.117 0.079 8 0 "[ . 1 .]"
1 52 PRO 2.091 0.328 9 0 "[ . 1 .]"
1 53 LEU 2.099 0.328 9 0 "[ . 1 .]"
1 54 PRO 0.350 0.201 8 0 "[ . 1 .]"
1 55 VAL 1.167 0.251 8 0 "[ . 1 .]"
1 56 ALA 0.858 0.251 8 0 "[ . 1 .]"
1 57 SER 0.046 0.033 11 0 "[ . 1 .]"
1 58 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 59 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 60 VAL 5.343 0.714 1 4 "[+ * . 1 - *]"
1 61 LEU 6.886 0.651 15 2 "[ . 1 - +]"
1 62 SER 0.872 0.252 9 0 "[ . 1 .]"
1 63 ALA 13.619 1.251 10 9 "[* *.* **+- **.]"
1 64 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 65 LEU 0.003 0.003 12 0 "[ . 1 .]"
1 66 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 67 SER 0.000 0.000 . 0 "[ . 1 .]"
1 68 HIS 0.000 0.000 . 0 "[ . 1 .]"
1 69 GLU 0.341 0.174 10 0 "[ . 1 .]"
1 70 TRP 14.590 1.251 10 9 "[* *.* **+- **.]"
1 71 GLN 4.980 0.573 5 1 "[ + 1 .]"
1 72 GLN 0.511 0.403 15 0 "[ . 1 .]"
1 73 THR 1.281 0.362 15 0 "[ . 1 .]"
1 74 PHE 7.202 0.614 5 4 "[ + *-1 * .]"
1 75 SER 5.314 1.327 13 2 "[ . 1 + -]"
1 76 GLN 9.639 1.327 13 7 "[ * *-1* +**]"
1 77 GLN 4.532 0.428 2 0 "[ . 1 .]"
1 78 VAL 0.467 0.196 14 0 "[ . 1 .]"
1 79 MET 0.893 0.329 15 0 "[ . 1 .]"
1 80 LEU 5.482 0.857 15 3 "[ . 1* -+]"
1 81 PHE 2.934 0.445 9 0 "[ . 1 .]"
1 82 THR 0.545 0.134 10 0 "[ . 1 .]"
1 83 ARG 6.140 0.626 3 2 "[ + . 1- .]"
1 84 GLN 4.236 1.238 11 3 "[ . *1+ -.]"
1 85 GLY 0.236 0.208 11 0 "[ . 1 .]"
1 86 GLN 12.696 1.238 11 5 "[ . ***1+ -.]"
1 87 GLN 8.365 1.740 8 3 "[ *. + 1 -.]"
1 88 SER 3.038 0.358 9 0 "[ . 1 .]"
1 89 ALA 10.442 1.516 6 6 "[ .+-**1 * *.]"
1 90 GLN 6.265 1.516 6 4 "[ .+- 1 * *.]"
1 91 LEU 7.129 1.701 7 3 "[ . + * - .]"
1 92 ARG 13.290 1.701 7 6 "[* * . + * - *]"
1 93 LEU 22.252 1.601 13 12 "[ ***.***-** +**]"
1 94 HIS 2.828 0.342 11 0 "[ . 1 .]"
1 95 PRO 13.977 1.007 1 6 "[+ * ** - 1 *.]"
1 96 GLU 1.622 0.195 9 0 "[ . 1 .]"
1 97 GLU 7.273 1.849 6 5 "[* * .+ 1 -*.]"
1 98 LEU 28.693 1.849 6 14 [*****+***1****-]
1 99 GLY 4.052 0.556 13 3 "[ .* 1 -+ .]"
1 100 GLN 17.964 1.202 8 13 "[***** *+*1****-]"
1 101 VAL 10.941 1.296 8 7 "[ .* +-** **]"
1 102 HIS 12.260 1.723 6 3 "[ .+- 1 *.]"
1 103 ILE 9.790 0.792 14 2 "[ .- 1 +.]"
1 104 SER 0.905 0.498 11 0 "[ . 1 .]"
1 105 LEU 8.041 1.740 8 3 "[ *. + 1 -.]"
1 106 LYS 6.434 0.587 5 4 "[* * + - .]"
1 107 LEU 8.409 1.017 4 5 "[* *+* - .]"
1 108 ASP 3.781 1.017 4 3 "[ +. - * .]"
1 109 ASP 1.565 0.445 1 0 "[ . 1 .]"
1 110 ASN 2.240 0.445 1 0 "[ . 1 .]"
1 111 GLN 3.497 0.990 13 2 "[ . - + .]"
1 112 ALA 0.159 0.040 5 0 "[ . 1 .]"
1 113 GLN 4.023 0.448 3 0 "[ . 1 .]"
1 114 LEU 0.780 0.160 6 0 "[ . 1 .]"
1 115 GLN 11.329 1.192 10 9 "[ ****- *+* *.]"
1 116 MET 17.774 1.407 6 10 "[ ***+* ***- *.]"
1 117 VAL 17.427 1.723 6 7 "[ **+* *- *.]"
1 118 SER 5.353 1.035 6 2 "[ .+- 1 .]"
1 119 PRO 0.876 0.350 3 0 "[ . 1 .]"
1 120 HIS 0.958 0.350 3 0 "[ . 1 .]"
1 122 HIS 0.078 0.070 4 0 "[ . 1 .]"
1 123 VAL 0.932 0.295 6 0 "[ . 1 .]"
1 124 ARG 0.791 0.295 6 0 "[ . 1 .]"
1 125 ALA 0.680 0.081 9 0 "[ . 1 .]"
1 126 ALA 2.690 0.324 8 0 "[ . 1 .]"
1 127 LEU 1.765 0.181 3 0 "[ . 1 .]"
1 128 GLU 5.194 0.588 6 1 "[ .+ 1 .]"
1 129 ALA 5.481 0.573 5 1 "[ + 1 .]"
1 130 ALA 10.168 0.588 6 1 "[ .+ 1 .]"
1 131 LEU 0.023 0.022 5 0 "[ . 1 .]"
1 132 PRO 0.023 0.022 5 0 "[ . 1 .]"
1 133 MET 1.207 0.572 11 1 "[ . 1+ .]"
1 134 LEU 4.261 0.523 6 1 "[ .+ 1 .]"
1 135 ARG 2.552 0.572 11 2 "[ - . 1+ .]"
1 136 THR 0.635 0.538 3 1 "[ + . 1 .]"
1 137 GLN 11.224 1.875 4 7 "[ *+.- *** *.]"
1 138 LEU 10.838 1.875 4 6 "[ *+. *-* *.]"
1 139 ALA 2.938 0.754 14 1 "[ . 1 +.]"
1 140 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 141 SER 0.323 0.323 4 0 "[ . 1 .]"
1 142 GLY 3.222 0.537 14 2 "[ -. 1 +.]"
1 143 ILE 5.211 0.537 14 2 "[ -. 1 +.]"
1 144 GLN 1.618 0.754 14 1 "[ . 1 +.]"
1 145 LEU 0.637 0.497 14 0 "[ . 1 .]"
1 147 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 148 SER 0.888 0.448 3 0 "[ . 1 .]"
1 149 SER 6.777 0.871 7 4 "[ * .-+ 1 * .]"
1 150 ILE 3.680 0.450 7 0 "[ . 1 .]"
1 151 SER 0.801 0.777 9 1 "[ . +1 .]"
1 152 SER 18.418 1.539 9 5 "[ ** +- *]"
1 153 GLU 22.272 1.539 9 6 "[ **- +* *]"
1 154 SER 11.048 1.324 9 5 "[ ** +* -]"
1 155 PHE 2.120 0.515 6 1 "[ .+ 1 .]"
1 156 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 157 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 158 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 159 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 160 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 162 SER 0.000 0.000 . 0 "[ . 1 .]"
1 164 GLN 0.193 0.193 1 0 "[ . 1 .]"
1 165 GLN 0.193 0.193 1 0 "[ . 1 .]"
1 166 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 168 SER 0.817 0.169 11 0 "[ . 1 .]"
1 169 ARG 0.817 0.169 11 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 MET QB 1 3 ALA H 3.500 . 4.500 2.698 1.710 3.868 0.090 11 0 "[ . 1 .]" 1
2 1 2 MET QB 1 3 ALA HA 4.400 . 5.400 4.119 3.801 4.982 . 0 0 "[ . 1 .]" 1
3 1 2 MET QB 1 3 ALA MB 4.800 . 6.800 4.249 3.380 5.054 . 0 0 "[ . 1 .]" 1
4 1 3 ALA H 1 4 SER H 4.400 . 4.400 3.962 2.596 4.564 0.164 4 0 "[ . 1 .]" 1
5 1 7 ARG H 1 7 ARG QB 3.600 . 4.600 2.753 2.244 3.438 . 0 0 "[ . 1 .]" 1
6 1 7 ARG H 1 7 ARG QG 4.400 . 5.400 3.100 1.808 4.436 . 0 0 "[ . 1 .]" 1
7 1 7 ARG QB 1 8 ALA H 4.400 . 5.400 2.992 2.115 3.980 . 0 0 "[ . 1 .]" 1
8 1 7 ARG QD 1 8 ALA HA 4.200 . 5.200 3.736 2.584 5.495 0.295 10 0 "[ . 1 .]" 1
9 1 7 ARG QD 1 8 ALA MB 4.300 . 6.300 4.327 2.886 5.606 . 0 0 "[ . 1 .]" 1
10 1 7 ARG QD 1 9 THR H 4.500 . 5.500 4.469 2.524 6.067 0.567 10 1 "[ . + .]" 1
11 1 8 ALA MB 1 9 THR H 4.600 . 5.600 2.979 2.221 3.696 . 0 0 "[ . 1 .]" 1
12 1 11 PRO HA 1 12 ALA H 2.900 . 2.900 2.325 2.134 2.736 . 0 0 "[ . 1 .]" 1
13 1 11 PRO HA 1 12 ALA MB 4.400 . 5.400 3.937 3.779 4.150 . 0 0 "[ . 1 .]" 1
14 1 11 PRO QB 1 12 ALA H 4.000 . 5.000 2.838 1.850 3.805 . 0 0 "[ . 1 .]" 1
15 1 11 PRO QD 1 12 ALA H 5.100 . 6.100 4.814 4.577 4.993 . 0 0 "[ . 1 .]" 1
16 1 11 PRO QG 1 12 ALA H 4.700 . 5.700 4.370 3.411 4.861 . 0 0 "[ . 1 .]" 1
17 1 12 ALA MB 1 13 LEU H 5.300 . 6.300 2.893 2.355 3.607 . 0 0 "[ . 1 .]" 1
18 1 13 LEU H 1 13 LEU QB 3.500 . 4.500 2.870 2.304 3.324 . 0 0 "[ . 1 .]" 1
19 1 13 LEU H 1 13 LEU QD 4.800 . 7.200 2.869 1.976 3.982 . 0 0 "[ . 1 .]" 1
20 1 13 LEU H 1 13 LEU HG 4.200 . 4.200 3.606 2.549 4.792 0.592 12 1 "[ . 1 + .]" 1
21 1 13 LEU HA 1 14 THR H 2.900 . 2.900 2.322 2.109 2.983 0.083 4 0 "[ . 1 .]" 1
22 1 13 LEU QB 1 14 THR HA 4.300 . 5.300 4.464 4.282 4.681 . 0 0 "[ . 1 .]" 1
23 1 14 THR H 1 14 THR HB 3.800 . 3.800 3.013 2.502 3.616 . 0 0 "[ . 1 .]" 1
24 1 14 THR H 1 14 THR MG 4.400 . 5.400 2.938 1.841 3.786 . 0 0 "[ . 1 .]" 1
25 1 14 THR HA 1 15 PRO QD 4.000 . 4.500 1.943 1.832 2.164 . 0 0 "[ . 1 .]" 1
26 1 14 THR HA 1 15 PRO QG 4.300 . 5.300 3.840 3.733 4.053 . 0 0 "[ . 1 .]" 1
27 1 14 THR HB 1 15 PRO QD 4.300 . 5.300 3.443 2.094 4.249 . 0 0 "[ . 1 .]" 1
28 1 16 LEU H 1 16 LEU MD1 5.300 . 6.300 3.953 2.212 4.452 . 0 0 "[ . 1 .]" 1
29 1 16 LEU H 1 16 LEU QD 4.600 . 7.000 2.928 1.686 4.080 0.114 5 0 "[ . 1 .]" 1
30 1 16 LEU H 1 16 LEU MD2 5.300 . 6.300 3.374 1.688 4.802 0.112 5 0 "[ . 1 .]" 1
31 1 16 LEU H 1 16 LEU HG 4.500 . 4.500 3.514 2.394 4.611 0.111 1 0 "[ . 1 .]" 1
32 1 16 LEU HA 1 17 VAL H 3.300 . 3.300 2.302 2.100 3.376 0.076 5 0 "[ . 1 .]" 1
33 1 16 LEU HA 1 17 VAL HA 5.200 . 5.200 4.396 4.288 4.630 . 0 0 "[ . 1 .]" 1
34 1 16 LEU HG 1 17 VAL H 5.400 . 5.400 4.078 2.699 5.213 . 0 0 "[ . 1 .]" 1
35 1 17 VAL H 1 17 VAL HB 3.800 . 3.800 3.238 2.729 3.683 . 0 0 "[ . 1 .]" 1
36 1 17 VAL H 1 17 VAL MG1 4.300 . 5.300 2.237 1.883 2.518 . 0 0 "[ . 1 .]" 1
37 1 17 VAL H 1 17 VAL QG 3.800 . 6.200 2.076 1.861 2.493 . 0 0 "[ . 1 .]" 1
38 1 17 VAL H 1 17 VAL MG2 4.300 . 5.300 3.364 1.920 4.009 . 0 0 "[ . 1 .]" 1
39 1 17 VAL HA 1 18 VAL H 3.400 . 3.400 2.246 2.095 2.532 . 0 0 "[ . 1 .]" 1
40 1 17 VAL HB 1 18 VAL H 4.300 . 4.300 3.758 2.114 4.479 0.179 4 0 "[ . 1 .]" 1
41 1 17 VAL QG 1 18 VAL H 4.500 . 6.900 2.811 2.036 3.363 . 0 0 "[ . 1 .]" 1
42 1 18 VAL HB 1 19 ALA H 4.800 . 4.800 4.096 3.942 4.292 . 0 0 "[ . 1 .]" 1
43 1 18 VAL QG 1 19 ALA H 4.000 . 6.400 2.418 1.994 2.939 . 0 0 "[ . 1 .]" 1
44 1 18 VAL QG 1 20 ALA H 4.800 . 7.200 4.292 3.196 4.865 . 0 0 "[ . 1 .]" 1
45 1 19 ALA H 1 19 ALA MB 3.400 . 4.400 2.695 2.234 2.838 . 0 0 "[ . 1 .]" 1
46 1 21 ALA MB 1 22 ALA HA 4.000 . 5.000 3.890 3.787 4.117 . 0 0 "[ . 1 .]" 1
47 1 22 ALA H 1 23 THR HA 5.000 . 5.000 4.644 4.290 4.849 . 0 0 "[ . 1 .]" 1
48 1 22 ALA HA 1 23 THR HA 5.200 . 5.200 4.436 4.301 4.572 . 0 0 "[ . 1 .]" 1
49 1 22 ALA HA 1 23 THR MG 4.000 . 5.000 4.155 3.361 5.410 0.410 11 0 "[ . 1 .]" 1
50 1 25 ALA HA 1 26 LYS H 3.400 . 3.400 2.439 2.138 3.534 0.134 13 0 "[ . 1 .]" 1
51 1 25 ALA MB 1 26 LYS H 4.800 . 5.800 3.079 2.341 3.671 . 0 0 "[ . 1 .]" 1
52 1 26 LYS HA 1 27 VAL H 3.100 . 3.100 2.302 2.134 2.842 . 0 0 "[ . 1 .]" 1
53 1 26 LYS QB 1 27 VAL H 5.500 . 6.500 3.211 2.169 4.022 . 0 0 "[ . 1 .]" 1
54 1 26 LYS QG 1 27 VAL H 5.500 . 5.800 3.786 2.214 4.652 . 0 0 "[ . 1 .]" 1
55 1 26 LYS HG2 1 27 VAL H 5.500 . 5.500 4.396 2.411 5.290 . 0 0 "[ . 1 .]" 1
56 1 27 VAL H 1 27 VAL HB 3.900 . 3.900 3.487 2.878 3.859 . 0 0 "[ . 1 .]" 1
57 1 27 VAL H 1 27 VAL MG1 4.300 . 5.300 2.587 1.921 4.081 . 0 0 "[ . 1 .]" 1
58 1 27 VAL H 1 27 VAL MG2 4.300 . 5.300 3.094 1.899 4.038 . 0 0 "[ . 1 .]" 1
59 1 27 VAL H 1 28 GLU H 5.100 . 5.100 4.058 1.979 4.584 . 0 0 "[ . 1 .]" 1
60 1 27 VAL HA 1 28 GLU H 3.200 . 3.200 2.264 2.079 2.946 . 0 0 "[ . 1 .]" 1
61 1 27 VAL HA 1 28 GLU QB 4.700 . 5.700 4.296 3.859 4.946 . 0 0 "[ . 1 .]" 1
62 1 27 VAL HB 1 28 GLU H 4.900 . 4.900 3.708 1.897 4.521 . 0 0 "[ . 1 .]" 1
63 1 27 VAL QG 1 28 GLU H 4.100 . 6.500 3.066 2.195 3.555 . 0 0 "[ . 1 .]" 1
64 1 27 VAL MG1 1 28 GLU H 4.700 . 5.700 3.803 2.207 4.277 . 0 0 "[ . 1 .]" 1
65 1 27 VAL MG2 1 28 GLU H 4.700 . 5.700 3.442 2.242 4.259 . 0 0 "[ . 1 .]" 1
66 1 28 GLU H 1 28 GLU QG 4.100 . 5.100 3.303 2.275 4.207 . 0 0 "[ . 1 .]" 1
67 1 28 GLU H 1 29 VAL H 5.500 . 5.500 3.711 1.926 4.563 . 0 0 "[ . 1 .]" 1
68 1 28 GLU HA 1 29 VAL H 2.800 . 2.800 2.311 2.059 3.516 0.716 13 1 "[ . 1 + .]" 1
69 1 28 GLU QB 1 29 VAL H 4.900 . 5.200 3.516 2.394 4.011 . 0 0 "[ . 1 .]" 1
70 1 29 VAL H 1 29 VAL MG1 4.400 . 5.400 2.464 1.903 3.018 . 0 0 "[ . 1 .]" 1
71 1 29 VAL H 1 29 VAL QG 3.800 . 6.200 2.214 1.881 2.658 0.019 12 0 "[ . 1 .]" 1
72 1 29 VAL H 1 29 VAL MG2 4.400 . 5.400 3.309 1.933 4.053 . 0 0 "[ . 1 .]" 1
73 1 29 VAL H 1 30 ASP H 5.300 . 5.300 4.084 1.994 4.514 . 0 0 "[ . 1 .]" 1
74 1 29 VAL HA 1 30 ASP H 3.200 . 3.200 2.331 2.107 3.237 0.037 11 0 "[ . 1 .]" 1
75 1 29 VAL HA 1 30 ASP HA 5.200 . 5.200 4.489 4.317 5.096 . 0 0 "[ . 1 .]" 1
76 1 29 VAL HB 1 30 ASP H 4.700 . 4.700 3.641 1.939 4.488 . 0 0 "[ . 1 .]" 1
77 1 29 VAL QG 1 30 ASP H 4.600 . 7.000 2.842 1.964 3.431 . 0 0 "[ . 1 .]" 1
78 1 29 VAL MG1 1 30 ASP H 5.200 . 6.200 3.815 2.982 4.282 . 0 0 "[ . 1 .]" 1
79 1 29 VAL MG2 1 30 ASP H 5.200 . 6.200 3.063 1.975 4.174 . 0 0 "[ . 1 .]" 1
80 1 30 ASP H 1 30 ASP QB 3.700 . 4.700 2.882 2.251 3.378 . 0 0 "[ . 1 .]" 1
81 1 30 ASP H 1 31 SER H 5.500 . 5.500 3.922 1.617 4.482 0.183 7 0 "[ . 1 .]" 1
82 1 30 ASP QB 1 31 SER H 4.300 . 5.300 3.144 1.982 3.935 . 0 0 "[ . 1 .]" 1
83 1 31 SER HA 1 31 SER QB 2.300 . 3.300 2.288 2.178 2.389 . 0 0 "[ . 1 .]" 1
84 1 33 PRO HA 1 34 ALA H 2.900 . 2.900 2.215 2.133 2.482 . 0 0 "[ . 1 .]" 1
85 1 33 PRO HA 1 34 ALA HA 5.500 . 5.500 4.362 4.298 4.427 . 0 0 "[ . 1 .]" 1
86 1 33 PRO QB 1 34 ALA H 4.400 . 4.700 3.122 2.360 3.551 . 0 0 "[ . 1 .]" 1
87 1 33 PRO QB 1 34 ALA MB 5.300 . 7.300 4.393 3.782 4.742 . 0 0 "[ . 1 .]" 1
88 1 33 PRO QG 1 34 ALA H 4.800 . 5.800 4.564 3.996 4.804 . 0 0 "[ . 1 .]" 1
89 1 34 ALA H 1 34 ALA MB 3.400 . 4.400 2.237 2.216 2.250 . 0 0 "[ . 1 .]" 1
90 1 34 ALA H 1 35 PRO QD 5.300 . 5.500 4.264 4.131 4.399 . 0 0 "[ . 1 .]" 1
91 1 34 ALA HA 1 35 PRO HA 4.700 . 4.700 4.463 4.414 4.504 . 0 0 "[ . 1 .]" 1
92 1 34 ALA HA 1 35 PRO QD 3.200 . 4.200 1.955 1.844 2.155 . 0 0 "[ . 1 .]" 1
93 1 34 ALA MB 1 35 PRO QB 5.500 . 7.500 4.770 4.477 4.972 . 0 0 "[ . 1 .]" 1
94 1 34 ALA MB 1 35 PRO QD 4.100 . 6.100 2.715 1.998 3.080 . 0 0 "[ . 1 .]" 1
95 1 34 ALA MB 1 35 PRO QG 4.300 . 6.300 4.237 3.340 4.667 . 0 0 "[ . 1 .]" 1
96 1 35 PRO HA 1 36 VAL H 3.100 . 3.100 2.516 2.135 3.478 0.378 13 0 "[ . 1 .]" 1
97 1 35 PRO HA 1 36 VAL HA 4.500 . 4.500 4.453 4.290 4.679 0.179 13 0 "[ . 1 .]" 1
98 1 35 PRO QB 1 36 VAL H 4.200 . 5.200 3.167 1.636 4.001 0.164 2 0 "[ . 1 .]" 1
99 1 35 PRO QB 1 36 VAL HA 4.800 . 5.800 4.348 3.995 4.939 . 0 0 "[ . 1 .]" 1
100 1 35 PRO QB 1 36 VAL QG 4.600 . 8.000 3.848 2.662 4.517 . 0 0 "[ . 1 .]" 1
101 1 35 PRO QG 1 36 VAL QG 3.800 . 7.200 4.447 2.728 5.201 . 0 0 "[ . 1 .]" 1
102 1 36 VAL H 1 36 VAL HB 4.100 . 4.100 3.373 2.576 3.879 . 0 0 "[ . 1 .]" 1
103 1 36 VAL HA 1 37 THR H 3.500 . 3.500 2.455 2.120 3.527 0.027 14 0 "[ . 1 .]" 1
104 1 36 VAL HB 1 37 THR H 4.500 . 4.500 3.660 2.455 4.477 . 0 0 "[ . 1 .]" 1
105 1 36 VAL QG 1 37 THR H 4.200 . 6.600 2.966 2.029 3.563 . 0 0 "[ . 1 .]" 1
106 1 36 VAL MG1 1 37 THR H 5.100 . 6.100 3.645 2.429 4.169 . 0 0 "[ . 1 .]" 1
107 1 36 VAL MG2 1 37 THR H 5.100 . 6.100 3.505 2.035 4.335 . 0 0 "[ . 1 .]" 1
108 1 37 THR H 1 37 THR MG 4.500 . 5.500 3.016 1.975 3.968 . 0 0 "[ . 1 .]" 1
109 1 40 ALA MB 1 41 ALA H 4.700 . 5.700 2.749 1.891 3.645 . 0 0 "[ . 1 .]" 1
110 1 41 ALA MB 1 42 MET H 5.500 . 6.500 2.972 1.885 3.695 . 0 0 "[ . 1 .]" 1
111 1 42 MET H 1 42 MET QG 4.200 . 5.200 3.287 2.525 4.331 . 0 0 "[ . 1 .]" 1
112 1 42 MET HA 1 42 MET QG 3.700 . 4.700 2.780 2.419 3.507 . 0 0 "[ . 1 .]" 1
113 1 43 PRO QG 1 44 THR H 4.700 . 5.700 4.557 3.654 4.940 . 0 0 "[ . 1 .]" 1
114 1 44 THR H 1 44 THR MG 4.500 . 5.500 2.961 1.950 3.828 . 0 0 "[ . 1 .]" 1
115 1 44 THR HB 1 45 LEU H 4.300 . 4.300 3.854 2.848 4.439 0.139 12 0 "[ . 1 .]" 1
116 1 44 THR MG 1 45 LEU H 4.700 . 5.700 3.155 1.633 4.210 0.167 10 0 "[ . 1 .]" 1
117 1 45 LEU H 1 45 LEU HG 4.500 . 4.500 4.038 2.373 5.178 0.678 13 2 "[ -. 1 + .]" 1
118 1 47 SER QB 1 48 ALA H 4.500 . 5.500 2.983 2.055 3.957 . 0 0 "[ . 1 .]" 1
119 1 48 ALA MB 1 49 THR H 4.600 . 5.600 2.873 1.799 3.591 0.001 10 0 "[ . 1 .]" 1
120 1 49 THR H 1 49 THR MG 4.400 . 5.400 3.630 2.391 4.012 . 0 0 "[ . 1 .]" 1
121 1 50 ALA HA 1 51 GLN HA 4.600 . 4.600 4.390 4.298 4.679 0.079 8 0 "[ . 1 .]" 1
122 1 50 ALA MB 1 51 GLN H 5.200 . 6.200 2.706 1.850 3.672 . 0 0 "[ . 1 .]" 1
123 1 50 ALA MB 1 51 GLN HA 4.300 . 5.300 4.221 3.919 4.385 . 0 0 "[ . 1 .]" 1
124 1 50 ALA MB 1 51 GLN QG 4.700 . 6.700 4.052 3.351 5.134 . 0 0 "[ . 1 .]" 1
125 1 51 GLN H 1 51 GLN QG 4.000 . 5.000 2.319 1.859 2.923 . 0 0 "[ . 1 .]" 1
126 1 51 GLN HA 1 52 PRO HA 4.900 . 4.900 4.458 4.375 4.515 . 0 0 "[ . 1 .]" 1
127 1 51 GLN HA 1 52 PRO QD 3.600 . 4.200 1.943 1.841 2.066 . 0 0 "[ . 1 .]" 1
128 1 52 PRO HA 1 53 LEU H 3.100 . 3.100 2.241 2.132 2.413 . 0 0 "[ . 1 .]" 1
129 1 52 PRO HA 1 53 LEU HA 4.500 . 4.500 4.373 4.299 4.424 . 0 0 "[ . 1 .]" 1
130 1 52 PRO HA 1 53 LEU QB 4.900 . 5.900 4.496 4.386 4.619 . 0 0 "[ . 1 .]" 1
131 1 52 PRO HA 1 53 LEU HG 4.100 . 4.100 3.936 3.541 4.321 0.221 14 0 "[ . 1 .]" 1
132 1 52 PRO QB 1 53 LEU H 4.500 . 4.800 3.162 2.549 3.647 . 0 0 "[ . 1 .]" 1
133 1 52 PRO QB 1 53 LEU HG 5.300 . 6.300 5.096 4.496 5.533 . 0 0 "[ . 1 .]" 1
134 1 52 PRO QG 1 53 LEU H 4.600 . 4.600 4.604 4.110 4.928 0.328 9 0 "[ . 1 .]" 1
135 1 53 LEU H 1 53 LEU QB 3.100 . 4.100 2.505 2.408 2.872 . 0 0 "[ . 1 .]" 1
136 1 53 LEU H 1 53 LEU MD1 4.500 . 5.500 3.568 1.824 4.020 . 0 0 "[ . 1 .]" 1
137 1 53 LEU H 1 53 LEU QD 3.900 . 6.300 3.058 1.821 3.378 . 0 0 "[ . 1 .]" 1
138 1 53 LEU H 1 53 LEU MD2 4.500 . 5.500 3.489 3.227 4.080 . 0 0 "[ . 1 .]" 1
139 1 53 LEU H 1 53 LEU HG 4.300 . 4.300 2.518 1.792 3.240 0.008 1 0 "[ . 1 .]" 1
140 1 53 LEU HA 1 53 LEU MD1 4.200 . 5.200 3.800 3.360 3.887 . 0 0 "[ . 1 .]" 1
141 1 53 LEU HA 1 53 LEU QD 3.100 . 5.500 2.294 1.990 3.430 . 0 0 "[ . 1 .]" 1
142 1 53 LEU HA 1 53 LEU MD2 4.200 . 5.200 2.418 1.997 4.061 . 0 0 "[ . 1 .]" 1
143 1 53 LEU QB 1 53 LEU QD 2.700 . 6.100 1.943 1.904 1.961 . 0 0 "[ . 1 .]" 1
144 1 53 LEU QB 1 54 PRO QD 4.300 . 6.300 2.937 2.300 3.455 . 0 0 "[ . 1 .]" 1
145 1 54 PRO HA 1 55 VAL H 2.700 . 2.700 2.314 2.125 2.901 0.201 8 0 "[ . 1 .]" 1
146 1 54 PRO QB 1 55 VAL H 4.600 . 5.000 2.927 1.651 3.569 0.149 8 0 "[ . 1 .]" 1
147 1 54 PRO QG 1 55 VAL H 5.000 . 6.000 4.402 3.127 4.903 . 0 0 "[ . 1 .]" 1
148 1 55 VAL H 1 55 VAL MG1 3.800 . 4.800 2.994 2.107 4.089 . 0 0 "[ . 1 .]" 1
149 1 55 VAL H 1 55 VAL QG 3.300 . 5.700 2.204 1.796 2.785 0.004 12 0 "[ . 1 .]" 1
150 1 55 VAL H 1 55 VAL MG2 3.800 . 4.800 2.472 1.842 3.946 . 0 0 "[ . 1 .]" 1
151 1 55 VAL H 1 56 ALA H 5.000 . 5.000 4.169 2.978 4.600 . 0 0 "[ . 1 .]" 1
152 1 55 VAL HA 1 56 ALA H 3.000 . 3.000 2.324 2.100 2.936 . 0 0 "[ . 1 .]" 1
153 1 55 VAL HA 1 56 ALA HA 5.000 . 5.000 4.433 4.302 4.633 . 0 0 "[ . 1 .]" 1
154 1 55 VAL HB 1 56 ALA H 4.200 . 4.200 3.413 1.805 4.451 0.251 8 0 "[ . 1 .]" 1
155 1 55 VAL QG 1 56 ALA H 4.400 . 6.800 3.014 1.852 3.741 . 0 0 "[ . 1 .]" 1
156 1 56 ALA H 1 56 ALA MB 3.100 . 4.100 2.570 2.225 2.819 . 0 0 "[ . 1 .]" 1
157 1 56 ALA H 1 57 SER H 5.200 . 5.200 3.803 1.785 4.592 . 0 0 "[ . 1 .]" 1
158 1 56 ALA HA 1 57 SER H 3.500 . 3.500 2.701 2.097 3.533 0.033 11 0 "[ . 1 .]" 1
159 1 56 ALA MB 1 57 SER H 4.100 . 5.100 2.479 1.884 3.542 . 0 0 "[ . 1 .]" 1
160 1 56 ALA MB 1 57 SER QB 4.500 . 6.500 3.828 3.383 4.367 . 0 0 "[ . 1 .]" 1
161 1 57 SER H 1 57 SER QB 3.600 . 4.600 2.769 2.251 3.424 . 0 0 "[ . 1 .]" 1
162 1 57 SER HA 1 58 ALA H 3.400 . 3.400 2.307 2.114 2.830 . 0 0 "[ . 1 .]" 1
163 1 57 SER HA 1 58 ALA MB 4.800 . 5.800 4.088 3.975 4.498 . 0 0 "[ . 1 .]" 1
164 1 57 SER QB 1 58 ALA H 3.800 . 4.800 3.260 2.405 4.024 . 0 0 "[ . 1 .]" 1
165 1 57 SER QB 1 58 ALA HA 4.900 . 5.900 4.623 4.374 4.895 . 0 0 "[ . 1 .]" 1
166 1 58 ALA H 1 58 ALA MB 3.100 . 4.100 2.237 2.218 2.259 . 0 0 "[ . 1 .]" 1
167 1 58 ALA HA 1 59 PRO QD 4.000 . 4.500 1.963 1.880 2.092 . 0 0 "[ . 1 .]" 1
168 1 58 ALA MB 1 59 PRO QB 5.300 . 7.300 4.794 4.374 4.984 . 0 0 "[ . 1 .]" 1
169 1 58 ALA MB 1 59 PRO QD 4.400 . 6.400 2.665 2.162 3.154 . 0 0 "[ . 1 .]" 1
170 1 58 ALA MB 1 59 PRO QG 4.400 . 6.400 4.156 3.549 4.733 . 0 0 "[ . 1 .]" 1
171 1 59 PRO HA 1 60 VAL H 3.000 . 3.000 2.408 2.108 2.569 . 0 0 "[ . 1 .]" 1
172 1 59 PRO HA 1 60 VAL HA 5.100 . 5.100 4.349 4.316 4.386 . 0 0 "[ . 1 .]" 1
173 1 59 PRO HA 1 60 VAL MG1 4.200 . 5.200 3.649 3.492 3.767 . 0 0 "[ . 1 .]" 1
174 1 59 PRO HA 1 60 VAL MG2 4.400 . 5.400 4.092 3.735 4.473 . 0 0 "[ . 1 .]" 1
175 1 59 PRO QB 1 60 VAL H 2.900 . 3.900 2.589 2.266 3.450 . 0 0 "[ . 1 .]" 1
176 1 59 PRO QB 1 60 VAL MG1 4.700 . 5.900 4.243 3.145 4.797 . 0 0 "[ . 1 .]" 1
177 1 60 VAL H 1 60 VAL HB 4.200 . 4.200 3.687 3.641 4.001 . 0 0 "[ . 1 .]" 1
178 1 60 VAL H 1 60 VAL MG1 3.000 . 4.000 2.399 2.114 2.655 . 0 0 "[ . 1 .]" 1
179 1 60 VAL H 1 60 VAL MG2 3.400 . 4.400 2.116 1.920 3.601 . 0 0 "[ . 1 .]" 1
180 1 60 VAL H 1 61 LEU H 4.700 . 4.700 4.558 4.472 4.646 . 0 0 "[ . 1 .]" 1
181 1 60 VAL HA 1 60 VAL MG1 3.200 . 4.200 2.379 2.327 2.489 . 0 0 "[ . 1 .]" 1
182 1 60 VAL HA 1 60 VAL MG2 3.500 . 4.500 3.220 3.214 3.242 . 0 0 "[ . 1 .]" 1
183 1 60 VAL HA 1 92 ARG H 4.300 . 4.300 4.088 3.241 5.014 0.714 1 3 "[+ * . 1 - .]" 1
184 1 60 VAL HA 1 92 ARG QB 4.600 . 5.600 3.848 2.568 5.031 . 0 0 "[ . 1 .]" 1
185 1 60 VAL HB 1 61 LEU H 3.200 . 3.200 2.377 1.936 3.116 . 0 0 "[ . 1 .]" 1
186 1 60 VAL HB 1 92 ARG H 3.900 . 3.900 3.729 2.931 4.455 0.555 15 1 "[ . 1 +]" 1
187 1 60 VAL HB 1 92 ARG HA 4.900 . 4.900 4.931 4.352 5.154 0.254 15 0 "[ . 1 .]" 1
188 1 60 VAL MG1 1 61 LEU H 3.700 . 4.700 3.695 3.505 3.974 . 0 0 "[ . 1 .]" 1
189 1 60 VAL MG1 1 92 ARG H 4.400 . 5.400 3.197 2.639 4.023 . 0 0 "[ . 1 .]" 1
190 1 60 VAL MG1 1 92 ARG QB 3.800 . 5.800 2.180 1.895 2.607 . 0 0 "[ . 1 .]" 1
191 1 60 VAL MG1 1 92 ARG HD2 4.800 . 5.800 3.795 2.323 4.912 . 0 0 "[ . 1 .]" 1
192 1 60 VAL MG1 1 92 ARG QD 4.000 . 6.000 3.230 1.948 4.496 . 0 0 "[ . 1 .]" 1
193 1 60 VAL MG1 1 92 ARG HD3 4.800 . 5.800 3.817 1.969 5.356 . 0 0 "[ . 1 .]" 1
194 1 60 VAL MG1 1 92 ARG HG2 4.200 . 5.200 3.770 2.522 4.860 . 0 0 "[ . 1 .]" 1
195 1 60 VAL MG1 1 92 ARG QG 4.200 . 5.500 3.233 2.491 4.275 . 0 0 "[ . 1 .]" 1
196 1 60 VAL MG2 1 61 LEU H 3.600 . 4.600 3.276 2.535 3.827 . 0 0 "[ . 1 .]" 1
197 1 60 VAL MG2 1 61 LEU HA 4.000 . 5.000 4.060 3.800 4.183 . 0 0 "[ . 1 .]" 1
198 1 60 VAL MG2 1 62 SER H 4.600 . 5.600 3.589 3.086 4.651 . 0 0 "[ . 1 .]" 1
199 1 60 VAL MG2 1 62 SER HA 4.400 . 5.400 4.471 4.145 5.446 0.046 15 0 "[ . 1 .]" 1
200 1 60 VAL MG2 1 62 SER QB 3.700 . 5.700 3.283 2.623 3.985 . 0 0 "[ . 1 .]" 1
201 1 60 VAL MG2 1 92 ARG H 5.400 . 6.400 4.949 4.064 5.567 . 0 0 "[ . 1 .]" 1
202 1 60 VAL MG2 1 92 ARG HD2 5.500 . 6.500 4.414 2.263 6.227 . 0 0 "[ . 1 .]" 1
203 1 60 VAL MG2 1 92 ARG QD 4.800 . 6.800 3.825 2.224 5.269 . 0 0 "[ . 1 .]" 1
204 1 60 VAL MG2 1 92 ARG HD3 5.500 . 6.500 4.539 2.997 5.763 . 0 0 "[ . 1 .]" 1
205 1 60 VAL MG2 1 92 ARG QG 4.300 . 6.300 4.005 2.837 4.891 . 0 0 "[ . 1 .]" 1
206 1 61 LEU H 1 61 LEU QB 3.100 . 4.100 2.296 2.267 2.359 . 0 0 "[ . 1 .]" 1
207 1 61 LEU H 1 61 LEU MD1 4.600 . 5.600 4.226 4.175 4.434 . 0 0 "[ . 1 .]" 1
208 1 61 LEU H 1 61 LEU MD2 4.400 . 5.400 4.276 3.954 4.371 . 0 0 "[ . 1 .]" 1
209 1 61 LEU H 1 61 LEU HG 4.500 . 4.500 4.468 4.405 4.566 0.066 8 0 "[ . 1 .]" 1
210 1 61 LEU H 1 62 SER H 4.800 . 4.800 4.111 3.890 4.481 . 0 0 "[ . 1 .]" 1
211 1 61 LEU H 1 91 LEU QD 4.200 . 6.600 2.819 2.089 4.443 . 0 0 "[ . 1 .]" 1
212 1 61 LEU H 1 92 ARG H 4.200 . 4.200 4.084 3.480 4.817 0.617 12 1 "[ . 1 + .]" 1
213 1 61 LEU H 1 92 ARG QB 4.800 . 5.100 3.701 2.938 4.698 . 0 0 "[ . 1 .]" 1
214 1 61 LEU H 1 92 ARG QG 5.200 . 6.200 5.507 4.223 6.511 0.311 4 0 "[ . 1 .]" 1
215 1 61 LEU H 1 93 LEU HA 5.200 . 5.200 4.242 3.162 5.119 . 0 0 "[ . 1 .]" 1
216 1 61 LEU H 1 93 LEU QD 4.400 . 6.800 3.469 2.709 4.602 . 0 0 "[ . 1 .]" 1
217 1 61 LEU HA 1 61 LEU MD1 3.700 . 4.700 2.279 2.014 3.648 . 0 0 "[ . 1 .]" 1
218 1 61 LEU HA 1 61 LEU MD2 4.300 . 5.300 3.786 3.332 3.905 . 0 0 "[ . 1 .]" 1
219 1 61 LEU HA 1 73 THR MG 5.000 . 6.000 3.130 2.468 3.867 . 0 0 "[ . 1 .]" 1
220 1 61 LEU QB 1 61 LEU MD1 3.100 . 5.100 2.309 2.072 2.397 . 0 0 "[ . 1 .]" 1
221 1 61 LEU QB 1 62 SER H 4.600 . 5.600 3.953 3.732 4.024 . 0 0 "[ . 1 .]" 1
222 1 61 LEU QB 1 63 ALA H 5.500 . 6.500 4.846 4.437 5.282 . 0 0 "[ . 1 .]" 1
223 1 61 LEU QB 1 70 TRP HE1 4.500 . 5.500 4.202 3.627 4.474 . 0 0 "[ . 1 .]" 1
224 1 61 LEU QB 1 73 THR MG 3.900 . 5.900 3.470 3.090 4.031 . 0 0 "[ . 1 .]" 1
225 1 61 LEU QB 1 74 PHE HA 5.400 . 6.400 4.335 3.737 5.519 . 0 0 "[ . 1 .]" 1
226 1 61 LEU QB 1 93 LEU HA 4.700 . 5.700 3.451 2.093 4.396 . 0 0 "[ . 1 .]" 1
227 1 61 LEU QB 1 93 LEU QD 4.000 . 6.700 2.108 1.793 2.895 0.007 6 0 "[ . 1 .]" 1
228 1 61 LEU MD1 1 62 SER H 4.300 . 5.300 3.225 2.138 4.741 . 0 0 "[ . 1 .]" 1
229 1 61 LEU MD1 1 63 ALA H 4.800 . 5.800 3.578 3.192 4.588 . 0 0 "[ . 1 .]" 1
230 1 61 LEU MD1 1 63 ALA MB 4.500 . 6.500 2.844 2.317 3.724 . 0 0 "[ . 1 .]" 1
231 1 61 LEU MD1 1 70 TRP HA 4.300 . 5.300 2.846 2.165 3.876 . 0 0 "[ . 1 .]" 1
232 1 61 LEU MD1 1 70 TRP HD1 4.600 . 5.600 2.991 2.687 3.428 . 0 0 "[ . 1 .]" 1
233 1 61 LEU MD1 1 70 TRP HE1 4.400 . 5.400 3.470 2.625 4.756 . 0 0 "[ . 1 .]" 1
234 1 61 LEU MD1 1 71 GLN HA 5.200 . 6.200 5.034 4.220 6.132 . 0 0 "[ . 1 .]" 1
235 1 61 LEU MD1 1 73 THR H 4.700 . 5.700 4.205 3.773 4.920 . 0 0 "[ . 1 .]" 1
236 1 61 LEU MD1 1 73 THR HB 3.700 . 4.700 2.286 1.869 3.317 . 0 0 "[ . 1 .]" 1
237 1 61 LEU MD1 1 73 THR MG 3.500 . 5.500 2.225 1.926 3.129 . 0 0 "[ . 1 .]" 1
238 1 61 LEU MD1 1 74 PHE H 3.600 . 4.600 3.228 2.557 3.965 . 0 0 "[ . 1 .]" 1
239 1 61 LEU MD1 1 74 PHE HA 3.500 . 4.500 3.398 2.384 4.635 0.135 15 0 "[ . 1 .]" 1
240 1 61 LEU MD1 1 74 PHE QB 4.000 . 5.400 3.293 2.154 4.297 . 0 0 "[ . 1 .]" 1
241 1 61 LEU MD1 1 74 PHE QD 4.200 . 7.600 4.085 2.165 5.530 . 0 0 "[ . 1 .]" 1
242 1 61 LEU MD1 1 75 SER H 4.800 . 5.800 5.451 4.851 6.451 0.651 15 1 "[ . 1 +]" 1
243 1 61 LEU MD1 1 77 GLN QG 5.300 . 7.300 4.878 3.667 7.411 0.111 15 0 "[ . 1 .]" 1
244 1 61 LEU MD1 1 91 LEU QD 3.500 . 6.900 3.779 2.029 4.943 . 0 0 "[ . 1 .]" 1
245 1 61 LEU MD1 1 93 LEU QD 4.000 . 7.400 3.550 1.971 3.958 . 0 0 "[ . 1 .]" 1
246 1 61 LEU MD2 1 62 SER H 5.000 . 6.000 4.912 3.306 5.308 . 0 0 "[ . 1 .]" 1
247 1 61 LEU MD2 1 63 ALA H 4.700 . 5.700 4.458 2.240 5.330 . 0 0 "[ . 1 .]" 1
248 1 61 LEU MD2 1 70 TRP HA 4.500 . 5.500 4.247 2.497 4.844 . 0 0 "[ . 1 .]" 1
249 1 61 LEU MD2 1 70 TRP HD1 4.400 . 5.400 3.525 2.079 4.400 . 0 0 "[ . 1 .]" 1
250 1 61 LEU MD2 1 70 TRP HE1 4.100 . 5.100 2.636 1.737 3.446 0.063 5 0 "[ . 1 .]" 1
251 1 61 LEU MD2 1 70 TRP HE3 5.000 . 6.000 4.855 4.010 5.849 . 0 0 "[ . 1 .]" 1
252 1 61 LEU MD2 1 70 TRP HH2 4.600 . 5.600 4.489 3.813 5.772 0.172 5 0 "[ . 1 .]" 1
253 1 61 LEU MD2 1 70 TRP HZ2 4.100 . 5.100 3.189 2.722 4.013 . 0 0 "[ . 1 .]" 1
254 1 61 LEU MD2 1 73 THR HB 4.400 . 5.400 3.947 2.626 4.744 . 0 0 "[ . 1 .]" 1
255 1 61 LEU MD2 1 73 THR MG 4.500 . 6.500 3.794 3.031 4.356 . 0 0 "[ . 1 .]" 1
256 1 61 LEU MD2 1 74 PHE H 4.200 . 5.200 3.897 2.989 5.328 0.128 8 0 "[ . 1 .]" 1
257 1 61 LEU MD2 1 74 PHE HA 4.000 . 5.000 3.160 2.343 5.173 0.173 5 0 "[ . 1 .]" 1
258 1 61 LEU MD2 1 74 PHE QB 4.000 . 6.000 2.803 2.035 4.476 . 0 0 "[ . 1 .]" 1
259 1 61 LEU MD2 1 74 PHE QD 3.900 . 7.300 2.761 1.950 4.299 . 0 0 "[ . 1 .]" 1
260 1 61 LEU MD2 1 91 LEU QD 3.500 . 6.900 3.029 2.066 4.545 . 0 0 "[ . 1 .]" 1
261 1 61 LEU MD2 1 93 LEU QD 3.800 . 7.200 1.965 1.812 2.111 . 0 0 "[ . 1 .]" 1
262 1 61 LEU MD2 1 94 HIS H 5.300 . 6.300 4.865 2.432 6.257 . 0 0 "[ . 1 .]" 1
263 1 61 LEU HG 1 62 SER H 4.100 . 4.100 3.950 3.183 4.352 0.252 9 0 "[ . 1 .]" 1
264 1 61 LEU HG 1 63 ALA H 4.500 . 4.500 3.410 2.713 4.004 . 0 0 "[ . 1 .]" 1
265 1 61 LEU HG 1 70 TRP HD1 4.700 . 4.700 3.194 2.744 3.701 . 0 0 "[ . 1 .]" 1
266 1 61 LEU HG 1 70 TRP HE1 3.800 . 3.800 2.746 2.035 4.160 0.360 8 0 "[ . 1 .]" 1
267 1 61 LEU HG 1 93 LEU QD 4.400 . 6.800 2.977 2.288 4.372 . 0 0 "[ . 1 .]" 1
268 1 62 SER H 1 63 ALA H 3.800 . 3.800 3.478 3.353 3.615 . 0 0 "[ . 1 .]" 1
269 1 62 SER H 1 63 ALA MB 4.600 . 5.600 3.768 3.629 4.012 . 0 0 "[ . 1 .]" 1
270 1 62 SER HA 1 63 ALA MB 4.400 . 5.400 4.246 4.189 4.314 . 0 0 "[ . 1 .]" 1
271 1 63 ALA H 1 63 ALA MB 2.800 . 3.800 2.541 2.486 2.573 . 0 0 "[ . 1 .]" 1
272 1 63 ALA H 1 70 TRP HA 4.800 . 4.800 4.937 4.338 5.827 1.027 10 2 "[ . - + .]" 1
273 1 63 ALA H 1 70 TRP HD1 4.300 . 4.300 2.586 1.968 3.304 . 0 0 "[ . 1 .]" 1
274 1 63 ALA HA 1 70 TRP H 5.500 . 5.500 6.172 5.620 6.751 1.251 10 9 "[* *.* **+- **.]" 1
275 1 63 ALA MB 1 69 GLU H 4.800 . 5.800 5.180 4.679 5.974 0.174 10 0 "[ . 1 .]" 1
276 1 63 ALA MB 1 69 GLU QB 3.400 . 5.400 3.352 2.543 4.093 . 0 0 "[ . 1 .]" 1
277 1 63 ALA MB 1 69 GLU QG 3.900 . 5.900 3.363 2.323 4.781 . 0 0 "[ . 1 .]" 1
278 1 63 ALA MB 1 70 TRP H 3.700 . 4.700 3.438 2.934 4.094 . 0 0 "[ . 1 .]" 1
279 1 63 ALA MB 1 70 TRP HA 3.100 . 4.100 2.375 1.969 2.914 . 0 0 "[ . 1 .]" 1
280 1 63 ALA MB 1 70 TRP QB 3.600 . 5.600 2.398 1.870 2.948 . 0 0 "[ . 1 .]" 1
281 1 63 ALA MB 1 70 TRP HD1 3.000 . 4.000 2.080 1.885 2.582 . 0 0 "[ . 1 .]" 1
282 1 63 ALA MB 1 73 THR HB 4.200 . 5.200 3.894 2.998 4.832 . 0 0 "[ . 1 .]" 1
283 1 64 PRO QB 1 67 SER QB 4.300 . 6.300 2.348 1.910 3.005 . 0 0 "[ . 1 .]" 1
284 1 65 LEU H 1 65 LEU HG 5.500 . 5.500 2.982 1.797 4.528 0.003 12 0 "[ . 1 .]" 1
285 1 65 LEU H 1 67 SER QB 5.000 . 6.000 5.039 4.694 5.800 . 0 0 "[ . 1 .]" 1
286 1 65 LEU HA 1 66 GLY H 3.600 . 3.600 2.132 2.101 2.171 . 0 0 "[ . 1 .]" 1
287 1 65 LEU HA 1 67 SER H 4.800 . 4.800 3.593 3.452 3.928 . 0 0 "[ . 1 .]" 1
288 1 65 LEU HA 1 126 ALA MB 4.600 . 5.600 3.903 3.014 5.080 . 0 0 "[ . 1 .]" 1
289 1 66 GLY H 1 126 ALA MB 3.900 . 4.900 2.941 2.091 3.832 . 0 0 "[ . 1 .]" 1
290 1 66 GLY QA 1 67 SER HA 5.300 . 6.300 4.064 4.019 4.098 . 0 0 "[ . 1 .]" 1
291 1 66 GLY QA 1 126 ALA MB 5.000 . 7.000 2.560 2.019 3.317 . 0 0 "[ . 1 .]" 1
292 1 67 SER H 1 126 ALA MB 5.500 . 6.500 4.879 4.358 5.814 . 0 0 "[ . 1 .]" 1
293 1 68 HIS HA 1 71 GLN H 4.100 . 4.100 3.217 2.902 3.542 . 0 0 "[ . 1 .]" 1
294 1 68 HIS HA 1 71 GLN QB 4.500 . 5.500 2.670 2.275 4.000 . 0 0 "[ . 1 .]" 1
295 1 68 HIS HA 1 72 GLN H 4.900 . 4.900 3.883 3.606 4.150 . 0 0 "[ . 1 .]" 1
296 1 68 HIS QB 1 69 GLU H 4.200 . 4.600 2.759 2.421 2.967 . 0 0 "[ . 1 .]" 1
297 1 69 GLU H 1 69 GLU QB 3.400 . 4.400 2.299 2.225 2.516 . 0 0 "[ . 1 .]" 1
298 1 69 GLU H 1 69 GLU QG 3.900 . 4.900 3.611 2.108 3.995 . 0 0 "[ . 1 .]" 1
299 1 69 GLU H 1 70 TRP H 3.800 . 3.800 2.703 2.302 2.802 . 0 0 "[ . 1 .]" 1
300 1 69 GLU H 1 70 TRP HA 5.500 . 5.500 5.299 5.045 5.383 . 0 0 "[ . 1 .]" 1
301 1 69 GLU HA 1 69 GLU QG 3.300 . 4.300 2.532 2.411 3.034 . 0 0 "[ . 1 .]" 1
302 1 69 GLU HA 1 70 TRP HA 5.000 . 5.000 4.789 4.723 4.826 . 0 0 "[ . 1 .]" 1
303 1 69 GLU HA 1 71 GLN H 4.700 . 4.700 4.524 4.354 4.785 0.085 5 0 "[ . 1 .]" 1
304 1 69 GLU QB 1 70 TRP H 3.900 . 4.900 2.581 2.414 2.913 . 0 0 "[ . 1 .]" 1
305 1 69 GLU QB 1 70 TRP HA 4.200 . 5.200 4.141 3.894 4.265 . 0 0 "[ . 1 .]" 1
306 1 69 GLU QB 1 70 TRP QB 5.500 . 7.500 3.914 3.748 4.054 . 0 0 "[ . 1 .]" 1
307 1 69 GLU QB 1 71 GLN H 5.300 . 6.300 4.800 4.604 5.056 . 0 0 "[ . 1 .]" 1
308 1 69 GLU QG 1 70 TRP H 4.300 . 5.300 3.722 3.420 4.121 . 0 0 "[ . 1 .]" 1
309 1 70 TRP H 1 70 TRP HA 2.900 . 2.900 2.803 2.760 2.878 . 0 0 "[ . 1 .]" 1
310 1 70 TRP H 1 70 TRP QB 3.500 . 4.500 2.197 2.157 2.290 . 0 0 "[ . 1 .]" 1
311 1 70 TRP H 1 71 GLN H 3.800 . 3.800 2.662 2.470 2.842 . 0 0 "[ . 1 .]" 1
312 1 70 TRP HA 1 70 TRP HD1 4.000 . 4.000 3.206 2.905 3.364 . 0 0 "[ . 1 .]" 1
313 1 70 TRP HA 1 70 TRP HE3 4.700 . 4.700 4.574 4.381 4.747 0.047 1 0 "[ . 1 .]" 1
314 1 70 TRP HA 1 72 GLN H 5.400 . 5.400 4.625 4.099 4.840 . 0 0 "[ . 1 .]" 1
315 1 70 TRP HA 1 73 THR H 4.200 . 4.200 3.564 3.409 3.832 . 0 0 "[ . 1 .]" 1
316 1 70 TRP HA 1 74 PHE H 4.300 . 4.300 4.011 3.819 4.350 0.050 13 0 "[ . 1 .]" 1
317 1 70 TRP QB 1 71 GLN H 3.900 . 4.900 2.434 2.214 2.567 . 0 0 "[ . 1 .]" 1
318 1 70 TRP HD1 1 73 THR MG 5.500 . 6.500 5.503 4.992 6.131 . 0 0 "[ . 1 .]" 1
319 1 70 TRP HE1 1 93 LEU QD 3.700 . 6.100 2.750 1.788 4.584 0.012 15 0 "[ . 1 .]" 1
320 1 70 TRP HE3 1 71 GLN H 4.300 . 4.300 2.940 2.540 3.652 . 0 0 "[ . 1 .]" 1
321 1 70 TRP HE3 1 71 GLN HA 3.900 . 3.900 2.815 2.283 3.468 . 0 0 "[ . 1 .]" 1
322 1 70 TRP HE3 1 71 GLN QG 4.500 . 5.500 2.384 1.887 3.870 . 0 0 "[ . 1 .]" 1
323 1 70 TRP HE3 1 130 ALA MB 4.400 . 5.400 3.839 3.335 4.230 . 0 0 "[ . 1 .]" 1
324 1 70 TRP HH2 1 93 LEU QD 5.100 . 7.500 4.495 3.616 5.567 . 0 0 "[ . 1 .]" 1
325 1 70 TRP HH2 1 126 ALA MB 4.100 . 5.100 3.417 2.722 4.453 . 0 0 "[ . 1 .]" 1
326 1 70 TRP HH2 1 127 LEU HA 4.600 . 4.600 2.776 2.211 3.493 . 0 0 "[ . 1 .]" 1
327 1 70 TRP HH2 1 127 LEU MD1 4.300 . 5.300 3.167 1.940 4.493 . 0 0 "[ . 1 .]" 1
328 1 70 TRP HH2 1 127 LEU QD 3.700 . 6.100 2.030 1.740 2.240 0.060 11 0 "[ . 1 .]" 1
329 1 70 TRP HH2 1 127 LEU MD2 4.300 . 5.300 2.406 1.874 3.918 . 0 0 "[ . 1 .]" 1
330 1 70 TRP HZ2 1 93 LEU QD 3.500 . 5.900 2.853 2.133 4.377 . 0 0 "[ . 1 .]" 1
331 1 70 TRP HZ2 1 126 ALA MB 4.900 . 5.900 4.430 3.332 5.571 . 0 0 "[ . 1 .]" 1
332 1 70 TRP HZ2 1 127 LEU QD 5.400 . 7.800 2.973 2.305 3.565 . 0 0 "[ . 1 .]" 1
333 1 70 TRP HZ3 1 126 ALA MB 4.500 . 5.500 2.898 2.402 3.994 . 0 0 "[ . 1 .]" 1
334 1 70 TRP HZ3 1 127 LEU HA 4.400 . 4.400 2.936 2.223 3.974 . 0 0 "[ . 1 .]" 1
335 1 70 TRP HZ3 1 127 LEU QD 4.500 . 6.900 3.339 2.691 3.827 . 0 0 "[ . 1 .]" 1
336 1 70 TRP HZ3 1 130 ALA MB 3.800 . 4.800 2.756 1.998 3.967 . 0 0 "[ . 1 .]" 1
337 1 71 GLN H 1 71 GLN QB 3.700 . 3.900 2.445 2.212 2.622 . 0 0 "[ . 1 .]" 1
338 1 71 GLN H 1 71 GLN QG 3.100 . 4.100 2.268 1.977 3.546 . 0 0 "[ . 1 .]" 1
339 1 71 GLN H 1 72 GLN H 3.300 . 3.300 2.746 2.619 2.833 . 0 0 "[ . 1 .]" 1
340 1 71 GLN H 1 72 GLN QB 4.700 . 5.700 4.599 4.342 4.798 . 0 0 "[ . 1 .]" 1
341 1 71 GLN H 1 72 GLN QG 5.500 . 6.500 4.789 4.325 6.439 . 0 0 "[ . 1 .]" 1
342 1 71 GLN H 1 73 THR H 4.800 . 4.800 4.200 4.070 4.355 . 0 0 "[ . 1 .]" 1
343 1 71 GLN H 1 74 PHE QB 4.900 . 5.900 4.618 4.443 4.847 . 0 0 "[ . 1 .]" 1
344 1 71 GLN HA 1 71 GLN HE21 5.400 . 5.400 4.428 4.063 4.871 . 0 0 "[ . 1 .]" 1
345 1 71 GLN HA 1 71 GLN QE 4.600 . 4.600 4.263 3.977 4.526 . 0 0 "[ . 1 .]" 1
346 1 71 GLN HA 1 71 GLN HE22 5.400 . 5.400 5.629 5.132 5.826 0.426 2 0 "[ . 1 .]" 1
347 1 71 GLN HA 1 74 PHE H 3.800 . 3.800 3.476 3.193 3.676 . 0 0 "[ . 1 .]" 1
348 1 71 GLN HA 1 74 PHE QB 4.400 . 5.300 2.487 2.212 2.831 . 0 0 "[ . 1 .]" 1
349 1 71 GLN HA 1 130 ALA MB 3.900 . 4.900 3.087 2.678 4.019 . 0 0 "[ . 1 .]" 1
350 1 71 GLN QB 1 71 GLN QE 3.500 . 4.500 2.924 1.670 3.498 0.130 4 0 "[ . 1 .]" 1
351 1 71 GLN QB 1 72 GLN H 3.600 . 4.000 2.524 2.335 3.426 . 0 0 "[ . 1 .]" 1
352 1 71 GLN QB 1 73 THR H 5.000 . 6.000 4.760 4.596 5.079 . 0 0 "[ . 1 .]" 1
353 1 71 GLN QB 1 130 ALA MB 3.600 . 5.600 2.900 2.192 4.140 . 0 0 "[ . 1 .]" 1
354 1 71 GLN QE 1 129 ALA HA 4.900 . 4.900 4.537 3.952 5.473 0.573 5 1 "[ + 1 .]" 1
355 1 71 GLN QE 1 129 ALA MB 3.500 . 4.500 2.634 2.078 3.503 . 0 0 "[ . 1 .]" 1
356 1 71 GLN QE 1 130 ALA MB 3.100 . 4.100 2.705 1.764 3.937 0.036 6 0 "[ . 1 .]" 1
357 1 71 GLN HE21 1 129 ALA MB 4.100 . 5.100 3.127 2.285 4.871 . 0 0 "[ . 1 .]" 1
358 1 71 GLN HE21 1 130 ALA HA 4.500 . 4.500 2.900 2.039 4.166 . 0 0 "[ . 1 .]" 1
359 1 71 GLN HE21 1 130 ALA MB 3.800 . 4.800 2.792 1.771 4.429 0.029 6 0 "[ . 1 .]" 1
360 1 71 GLN HE22 1 129 ALA MB 4.100 . 5.100 2.877 2.369 4.091 . 0 0 "[ . 1 .]" 1
361 1 71 GLN HE22 1 130 ALA HA 4.500 . 4.500 3.412 2.781 4.115 . 0 0 "[ . 1 .]" 1
362 1 71 GLN HE22 1 130 ALA MB 3.800 . 4.800 3.910 3.276 4.474 . 0 0 "[ . 1 .]" 1
363 1 71 GLN QG 1 72 GLN H 4.500 . 5.500 3.911 2.196 4.429 . 0 0 "[ . 1 .]" 1
364 1 71 GLN QG 1 130 ALA MB 4.400 . 6.400 2.538 1.958 3.981 . 0 0 "[ . 1 .]" 1
365 1 72 GLN H 1 72 GLN HA 2.900 . 2.900 2.784 2.744 2.877 . 0 0 "[ . 1 .]" 1
366 1 72 GLN H 1 72 GLN QB 3.300 . 4.300 2.379 2.157 2.483 . 0 0 "[ . 1 .]" 1
367 1 72 GLN H 1 72 GLN QG 3.300 . 4.300 2.569 2.140 4.064 . 0 0 "[ . 1 .]" 1
368 1 72 GLN H 1 73 THR H 3.200 . 3.200 2.820 2.501 2.963 . 0 0 "[ . 1 .]" 1
369 1 72 GLN HA 1 72 GLN QE 4.400 . 4.400 3.568 2.169 4.374 . 0 0 "[ . 1 .]" 1
370 1 72 GLN HA 1 72 GLN QG 3.600 . 4.600 2.666 2.355 2.937 . 0 0 "[ . 1 .]" 1
371 1 72 GLN HA 1 75 SER H 3.700 . 3.700 3.531 3.241 4.103 0.403 15 0 "[ . 1 .]" 1
372 1 72 GLN QB 1 72 GLN HE22 4.800 . 5.800 3.845 3.206 4.399 . 0 0 "[ . 1 .]" 1
373 1 72 GLN QB 1 73 THR H 3.000 . 4.000 2.551 2.319 2.726 . 0 0 "[ . 1 .]" 1
374 1 72 GLN QB 1 73 THR MG 4.900 . 6.900 5.006 4.781 5.211 . 0 0 "[ . 1 .]" 1
375 1 72 GLN QB 1 74 PHE H 4.800 . 5.800 4.678 4.485 4.862 . 0 0 "[ . 1 .]" 1
376 1 72 GLN QG 1 73 THR H 4.600 . 5.600 4.101 3.675 4.396 . 0 0 "[ . 1 .]" 1
377 1 73 THR H 1 73 THR HB 3.000 . 3.000 2.614 2.513 2.686 . 0 0 "[ . 1 .]" 1
378 1 73 THR H 1 73 THR MG 3.900 . 4.900 3.763 3.742 3.787 . 0 0 "[ . 1 .]" 1
379 1 73 THR H 1 74 PHE H 3.900 . 3.900 2.625 2.470 2.680 . 0 0 "[ . 1 .]" 1
380 1 73 THR H 1 74 PHE QB 5.500 . 5.900 4.329 4.193 4.367 . 0 0 "[ . 1 .]" 1
381 1 73 THR H 1 75 SER H 4.200 . 4.200 4.240 4.015 4.562 0.362 15 0 "[ . 1 .]" 1
382 1 73 THR H 1 76 GLN QG 5.300 . 6.300 4.637 4.176 6.429 0.129 13 0 "[ . 1 .]" 1
383 1 73 THR HA 1 76 GLN H 4.900 . 4.900 3.458 3.138 4.212 . 0 0 "[ . 1 .]" 1
384 1 73 THR HA 1 76 GLN QB 4.300 . 5.300 2.899 2.408 4.064 . 0 0 "[ . 1 .]" 1
385 1 73 THR HB 1 74 PHE H 3.400 . 3.400 2.589 2.392 2.917 . 0 0 "[ . 1 .]" 1
386 1 73 THR HB 1 74 PHE HA 4.400 . 4.400 4.229 4.097 4.334 . 0 0 "[ . 1 .]" 1
387 1 73 THR MG 1 74 PHE H 4.400 . 5.400 3.589 3.337 3.858 . 0 0 "[ . 1 .]" 1
388 1 73 THR MG 1 74 PHE HA 4.400 . 5.400 3.763 3.498 3.959 . 0 0 "[ . 1 .]" 1
389 1 73 THR MG 1 76 GLN H 5.200 . 6.200 4.669 4.408 4.998 . 0 0 "[ . 1 .]" 1
390 1 73 THR MG 1 76 GLN QB 4.600 . 6.600 3.647 2.979 5.020 . 0 0 "[ . 1 .]" 1
391 1 73 THR MG 1 77 GLN H 5.500 . 6.500 4.195 3.745 5.967 . 0 0 "[ . 1 .]" 1
392 1 74 PHE H 1 74 PHE QB 3.000 . 4.000 2.248 2.227 2.274 . 0 0 "[ . 1 .]" 1
393 1 74 PHE H 1 74 PHE QD 4.300 . 6.700 4.178 4.140 4.204 . 0 0 "[ . 1 .]" 1
394 1 74 PHE H 1 75 SER H 3.300 . 3.300 2.850 2.568 2.975 . 0 0 "[ . 1 .]" 1
395 1 74 PHE H 1 76 GLN H 5.000 . 5.000 4.239 3.961 4.414 . 0 0 "[ . 1 .]" 1
396 1 74 PHE HA 1 74 PHE QD 3.800 . 6.200 2.676 2.509 2.840 . 0 0 "[ . 1 .]" 1
397 1 74 PHE HA 1 76 GLN H 4.100 . 4.100 4.454 3.990 4.714 0.614 5 4 "[ + *-1 * .]" 1
398 1 74 PHE HA 1 77 GLN H 4.400 . 4.400 3.760 3.451 4.768 0.368 15 0 "[ . 1 .]" 1
399 1 74 PHE HA 1 77 GLN QG 4.900 . 5.900 2.889 2.003 5.012 . 0 0 "[ . 1 .]" 1
400 1 74 PHE HA 1 91 LEU QD 4.400 . 6.800 4.186 2.494 5.677 . 0 0 "[ . 1 .]" 1
401 1 74 PHE QB 1 75 SER H 3.200 . 4.200 2.468 2.288 2.684 . 0 0 "[ . 1 .]" 1
402 1 74 PHE QB 1 130 ALA MB 4.500 . 6.500 3.395 2.751 4.179 . 0 0 "[ . 1 .]" 1
403 1 74 PHE QD 1 75 SER H 4.000 . 6.400 3.364 2.794 3.698 . 0 0 "[ . 1 .]" 1
404 1 74 PHE QD 1 78 VAL QG 5.000 . 9.800 3.566 3.068 4.894 . 0 0 "[ . 1 .]" 1
405 1 74 PHE QD 1 91 LEU QD 4.500 . 9.300 3.599 1.902 5.982 . 0 0 "[ . 1 .]" 1
406 1 74 PHE QD 1 130 ALA MB 4.400 . 7.800 2.709 2.168 3.395 . 0 0 "[ . 1 .]" 1
407 1 74 PHE QE 1 78 VAL QG 4.200 . 9.000 3.211 2.620 4.500 . 0 0 "[ . 1 .]" 1
408 1 74 PHE QE 1 91 LEU QD 5.000 . 9.800 3.970 2.103 6.809 . 0 0 "[ . 1 .]" 1
409 1 74 PHE QE 1 93 LEU QD 5.000 . 9.800 4.263 2.586 6.152 . 0 0 "[ . 1 .]" 1
410 1 74 PHE QE 1 101 VAL HB 5.100 . 7.500 5.400 3.622 7.023 . 0 0 "[ . 1 .]" 1
411 1 74 PHE QE 1 101 VAL MG1 4.500 . 7.900 4.040 2.713 5.659 . 0 0 "[ . 1 .]" 1
412 1 74 PHE QE 1 127 LEU MD1 3.800 . 7.200 3.192 2.460 4.415 . 0 0 "[ . 1 .]" 1
413 1 74 PHE QE 1 127 LEU MD2 3.800 . 7.200 3.450 2.330 4.580 . 0 0 "[ . 1 .]" 1
414 1 74 PHE QE 1 130 ALA MB 4.000 . 7.400 3.328 2.878 4.244 . 0 0 "[ . 1 .]" 1
415 1 74 PHE QE 1 134 LEU QD 4.200 . 9.000 2.672 1.988 4.276 . 0 0 "[ . 1 .]" 1
416 1 74 PHE HZ 1 78 VAL QG 5.000 . 7.400 3.642 2.908 5.213 . 0 0 "[ . 1 .]" 1
417 1 74 PHE HZ 1 127 LEU MD1 4.000 . 5.000 3.261 2.463 5.099 0.099 4 0 "[ . 1 .]" 1
418 1 74 PHE HZ 1 127 LEU QD 3.500 . 5.900 2.778 2.179 3.512 . 0 0 "[ . 1 .]" 1
419 1 74 PHE HZ 1 127 LEU MD2 4.000 . 5.000 3.838 2.275 5.181 0.181 3 0 "[ . 1 .]" 1
420 1 74 PHE HZ 1 130 ALA MB 5.500 . 6.500 4.850 4.072 5.927 . 0 0 "[ . 1 .]" 1
421 1 75 SER H 1 75 SER QB 3.100 . 4.100 2.541 2.430 2.777 . 0 0 "[ . 1 .]" 1
422 1 75 SER H 1 76 GLN H 3.200 . 3.200 2.799 2.546 3.146 . 0 0 "[ . 1 .]" 1
423 1 75 SER H 1 76 GLN QG 5.200 . 5.200 4.527 3.996 6.527 1.327 13 1 "[ . 1 + .]" 1
424 1 75 SER HA 1 134 LEU QD 4.500 . 6.900 2.186 1.889 3.175 . 0 0 "[ . 1 .]" 1
425 1 75 SER QB 1 76 GLN H 3.400 . 4.400 2.884 2.335 3.740 . 0 0 "[ . 1 .]" 1
426 1 75 SER QB 1 78 VAL QG 5.000 . 8.400 4.237 3.406 4.739 . 0 0 "[ . 1 .]" 1
427 1 75 SER QB 1 79 MET H 4.400 . 5.400 4.796 4.462 5.729 0.329 15 0 "[ . 1 .]" 1
428 1 75 SER QB 1 134 LEU QD 3.600 . 7.000 2.408 1.948 3.761 . 0 0 "[ . 1 .]" 1
429 1 76 GLN H 1 76 GLN QB 3.600 . 3.800 2.477 2.269 2.674 . 0 0 "[ . 1 .]" 1
430 1 76 GLN H 1 76 GLN QG 4.300 . 4.300 2.336 1.982 4.070 . 0 0 "[ . 1 .]" 1
431 1 76 GLN HA 1 79 MET H 4.000 . 4.000 3.437 3.097 3.628 . 0 0 "[ . 1 .]" 1
432 1 76 GLN HA 1 79 MET QB 3.700 . 4.700 2.867 2.467 3.764 . 0 0 "[ . 1 .]" 1
433 1 76 GLN HA 1 79 MET QG 5.300 . 6.300 3.141 2.168 3.786 . 0 0 "[ . 1 .]" 1
434 1 76 GLN HA 1 80 LEU H 4.400 . 4.400 4.377 3.686 5.257 0.857 15 3 "[ . 1* -+]" 1
435 1 76 GLN QB 1 77 GLN H 4.000 . 5.000 2.667 2.246 3.694 . 0 0 "[ . 1 .]" 1
436 1 77 GLN H 1 77 GLN QB 3.100 . 4.100 2.464 2.171 2.782 . 0 0 "[ . 1 .]" 1
437 1 77 GLN H 1 77 GLN QG 3.600 . 3.600 2.596 1.919 4.028 0.428 2 0 "[ . 1 .]" 1
438 1 77 GLN H 1 78 VAL QG 4.700 . 7.100 3.954 3.379 4.159 . 0 0 "[ . 1 .]" 1
439 1 77 GLN H 1 79 MET H 5.200 . 5.200 4.181 4.049 4.352 . 0 0 "[ . 1 .]" 1
440 1 77 GLN HA 1 77 GLN HE21 4.500 . 5.500 4.808 1.655 5.909 0.409 9 0 "[ . 1 .]" 1
441 1 77 GLN HA 1 77 GLN QG 3.600 . 4.600 3.263 2.502 3.460 . 0 0 "[ . 1 .]" 1
442 1 77 GLN HA 1 80 LEU H 4.100 . 4.100 3.576 3.326 3.868 . 0 0 "[ . 1 .]" 1
443 1 77 GLN HA 1 80 LEU QD 5.100 . 7.500 3.074 2.110 3.748 . 0 0 "[ . 1 .]" 1
444 1 77 GLN QB 1 77 GLN HE22 4.300 . 5.300 3.668 3.164 4.207 . 0 0 "[ . 1 .]" 1
445 1 77 GLN QB 1 78 VAL H 3.800 . 4.800 3.437 2.545 3.717 . 0 0 "[ . 1 .]" 1
446 1 77 GLN QB 1 78 VAL QG 3.800 . 7.200 3.780 2.858 4.103 . 0 0 "[ . 1 .]" 1
447 1 77 GLN HE21 1 78 VAL QG 4.800 . 7.200 3.849 1.950 5.830 . 0 0 "[ . 1 .]" 1
448 1 77 GLN HE21 1 91 LEU QB 5.000 . 6.000 4.098 3.248 5.339 . 0 0 "[ . 1 .]" 1
449 1 77 GLN HE21 1 103 ILE HB 5.500 . 6.500 6.109 4.829 6.801 0.301 2 0 "[ . 1 .]" 1
450 1 77 GLN HE21 1 103 ILE MD 4.800 . 5.800 3.712 2.089 4.967 . 0 0 "[ . 1 .]" 1
451 1 77 GLN HE21 1 103 ILE QG 5.500 . 6.500 4.910 3.567 6.639 0.139 13 0 "[ . 1 .]" 1
452 1 77 GLN HE22 1 91 LEU QD 4.300 . 6.700 2.383 1.645 3.817 0.155 14 0 "[ . 1 .]" 1
453 1 77 GLN QG 1 78 VAL QG 5.000 . 8.400 2.508 2.161 3.456 . 0 0 "[ . 1 .]" 1
454 1 77 GLN QG 1 91 LEU QB 5.200 . 7.200 4.824 2.618 5.761 . 0 0 "[ . 1 .]" 1
455 1 77 GLN QG 1 91 LEU QD 3.800 . 7.200 3.382 1.857 4.167 . 0 0 "[ . 1 .]" 1
456 1 78 VAL H 1 78 VAL HB 3.600 . 3.600 2.548 2.505 2.612 . 0 0 "[ . 1 .]" 1
457 1 78 VAL H 1 78 VAL MG1 3.900 . 4.900 3.794 3.785 3.814 . 0 0 "[ . 1 .]" 1
458 1 78 VAL H 1 78 VAL QG 2.900 . 5.300 2.195 2.030 2.365 . 0 0 "[ . 1 .]" 1
459 1 78 VAL H 1 78 VAL MG2 3.900 . 4.900 2.210 2.038 2.388 . 0 0 "[ . 1 .]" 1
460 1 78 VAL H 1 79 MET H 3.000 . 3.000 2.415 2.326 2.503 . 0 0 "[ . 1 .]" 1
461 1 78 VAL H 1 79 MET HA 5.500 . 5.500 5.059 4.956 5.137 . 0 0 "[ . 1 .]" 1
462 1 78 VAL H 1 79 MET QB 4.500 . 5.500 4.446 4.344 4.594 . 0 0 "[ . 1 .]" 1
463 1 78 VAL H 1 134 LEU MD1 5.500 . 6.500 4.225 3.753 4.852 . 0 0 "[ . 1 .]" 1
464 1 78 VAL H 1 134 LEU QD 4.700 . 7.100 4.000 3.619 4.744 . 0 0 "[ . 1 .]" 1
465 1 78 VAL H 1 134 LEU MD2 5.500 . 6.500 5.124 4.129 6.696 0.196 14 0 "[ . 1 .]" 1
466 1 78 VAL HA 1 78 VAL MG1 3.200 . 4.200 2.398 2.328 2.438 . 0 0 "[ . 1 .]" 1
467 1 78 VAL HA 1 78 VAL QG 2.800 . 5.200 2.137 2.120 2.147 . 0 0 "[ . 1 .]" 1
468 1 78 VAL HA 1 78 VAL MG2 3.200 . 4.200 2.403 2.345 2.459 . 0 0 "[ . 1 .]" 1
469 1 78 VAL HA 1 80 LEU H 5.100 . 5.100 4.101 3.565 4.614 . 0 0 "[ . 1 .]" 1
470 1 78 VAL HA 1 81 PHE H 3.500 . 3.500 3.267 2.853 3.581 0.081 7 0 "[ . 1 .]" 1
471 1 78 VAL HA 1 81 PHE QB 3.600 . 4.600 2.964 1.903 4.070 . 0 0 "[ . 1 .]" 1
472 1 78 VAL HA 1 81 PHE QD 3.700 . 6.100 2.431 2.023 3.594 . 0 0 "[ . 1 .]" 1
473 1 78 VAL HA 1 114 LEU QD 5.200 . 7.600 4.803 3.853 5.743 . 0 0 "[ . 1 .]" 1
474 1 78 VAL HA 1 134 LEU MD1 5.500 . 6.500 4.947 4.497 5.523 . 0 0 "[ . 1 .]" 1
475 1 78 VAL HA 1 134 LEU MD2 5.500 . 6.500 5.173 4.484 6.125 . 0 0 "[ . 1 .]" 1
476 1 78 VAL HB 1 79 MET H 3.800 . 3.800 2.813 2.627 3.141 . 0 0 "[ . 1 .]" 1
477 1 78 VAL HB 1 134 LEU MD1 4.200 . 5.200 2.518 1.962 3.178 . 0 0 "[ . 1 .]" 1
478 1 78 VAL HB 1 134 LEU QD 3.700 . 6.100 2.354 1.948 3.152 . 0 0 "[ . 1 .]" 1
479 1 78 VAL HB 1 134 LEU MD2 4.200 . 5.200 3.337 2.138 5.212 0.012 14 0 "[ . 1 .]" 1
480 1 78 VAL QG 1 79 MET H 3.300 . 5.700 3.324 3.207 3.482 . 0 0 "[ . 1 .]" 1
481 1 78 VAL QG 1 79 MET QB 4.800 . 8.200 4.610 4.496 4.749 . 0 0 "[ . 1 .]" 1
482 1 78 VAL QG 1 79 MET ME 5.400 . 8.800 5.210 2.669 5.834 . 0 0 "[ . 1 .]" 1
483 1 78 VAL QG 1 79 MET QG 5.300 . 8.700 3.856 3.639 4.171 . 0 0 "[ . 1 .]" 1
484 1 78 VAL QG 1 81 PHE QB 4.400 . 7.800 3.149 2.646 3.596 . 0 0 "[ . 1 .]" 1
485 1 78 VAL QG 1 81 PHE QD 4.300 . 9.100 2.674 2.052 3.363 . 0 0 "[ . 1 .]" 1
486 1 78 VAL QG 1 81 PHE QE 5.200 . 10.000 3.157 2.285 4.082 . 0 0 "[ . 1 .]" 1
487 1 78 VAL QG 1 82 THR H 4.800 . 7.200 4.066 3.332 4.803 . 0 0 "[ . 1 .]" 1
488 1 78 VAL QG 1 134 LEU QB 5.400 . 8.800 4.057 3.861 4.339 . 0 0 "[ . 1 .]" 1
489 1 78 VAL QG 1 134 LEU QD 2.300 . 7.100 1.873 1.720 2.095 0.080 6 0 "[ . 1 .]" 1
490 1 78 VAL MG1 1 79 MET H 4.000 . 5.000 3.638 3.432 3.886 . 0 0 "[ . 1 .]" 1
491 1 78 VAL MG1 1 81 PHE QD 5.200 . 8.600 2.823 2.117 3.590 . 0 0 "[ . 1 .]" 1
492 1 78 VAL MG2 1 79 MET H 4.000 . 5.000 3.856 3.756 3.951 . 0 0 "[ . 1 .]" 1
493 1 78 VAL MG2 1 81 PHE QD 5.200 . 8.600 3.553 2.756 4.379 . 0 0 "[ . 1 .]" 1
494 1 79 MET H 1 79 MET QB 3.500 . 4.000 2.433 2.345 2.468 . 0 0 "[ . 1 .]" 1
495 1 79 MET H 1 79 MET ME 4.900 . 5.900 4.583 2.969 4.857 . 0 0 "[ . 1 .]" 1
496 1 79 MET H 1 79 MET HG2 4.200 . 4.200 3.192 2.265 3.603 . 0 0 "[ . 1 .]" 1
497 1 79 MET H 1 79 MET QG 4.200 . 5.200 2.305 2.185 2.444 . 0 0 "[ . 1 .]" 1
498 1 79 MET H 1 80 LEU H 3.000 . 3.000 2.566 2.341 2.838 . 0 0 "[ . 1 .]" 1
499 1 79 MET H 1 81 PHE H 5.500 . 5.500 4.145 3.851 4.433 . 0 0 "[ . 1 .]" 1
500 1 79 MET H 1 134 LEU QD 4.200 . 6.600 4.014 3.460 5.619 . 0 0 "[ . 1 .]" 1
501 1 79 MET HA 1 79 MET ME 3.000 . 4.000 3.693 1.912 4.003 0.003 11 0 "[ . 1 .]" 1
502 1 79 MET HA 1 79 MET HG2 4.100 . 4.100 2.666 2.456 3.113 . 0 0 "[ . 1 .]" 1
503 1 79 MET HA 1 134 LEU QD 4.800 . 7.200 4.639 3.884 6.162 . 0 0 "[ . 1 .]" 1
504 1 79 MET HA 1 138 LEU QD 3.500 . 5.900 3.139 2.478 4.606 . 0 0 "[ . 1 .]" 1
505 1 79 MET QB 1 80 LEU H 3.800 . 4.100 2.674 2.238 3.103 . 0 0 "[ . 1 .]" 1
506 1 79 MET ME 1 80 LEU H 4.900 . 5.900 5.218 4.475 6.121 0.221 3 0 "[ . 1 .]" 1
507 1 79 MET ME 1 82 THR MG 4.200 . 6.200 4.065 3.148 4.847 . 0 0 "[ . 1 .]" 1
508 1 79 MET ME 1 138 LEU QD 4.100 . 7.500 3.208 2.371 4.407 . 0 0 "[ . 1 .]" 1
509 1 79 MET QG 1 80 LEU H 5.400 . 5.700 4.097 3.965 4.243 . 0 0 "[ . 1 .]" 1
510 1 79 MET QG 1 134 LEU QD 4.700 . 8.100 3.315 2.179 5.569 . 0 0 "[ . 1 .]" 1
511 1 79 MET QG 1 138 LEU QD 4.800 . 8.200 2.837 1.993 5.185 . 0 0 "[ . 1 .]" 1
512 1 79 MET HG2 1 80 LEU H 5.400 . 5.400 4.821 4.256 5.103 . 0 0 "[ . 1 .]" 1
513 1 80 LEU H 1 80 LEU QD 4.400 . 6.800 3.413 2.200 3.812 . 0 0 "[ . 1 .]" 1
514 1 80 LEU H 1 81 PHE H 3.200 . 3.200 2.684 2.283 2.832 . 0 0 "[ . 1 .]" 1
515 1 80 LEU H 1 81 PHE QB 4.300 . 5.300 4.574 4.261 4.877 . 0 0 "[ . 1 .]" 1
516 1 80 LEU H 1 83 ARG QG 4.900 . 5.900 4.514 4.005 4.971 . 0 0 "[ . 1 .]" 1
517 1 80 LEU HA 1 81 PHE HA 4.900 . 4.900 4.875 4.805 4.943 0.043 2 0 "[ . 1 .]" 1
518 1 80 LEU HA 1 83 ARG H 3.400 . 3.400 3.412 3.238 3.630 0.230 8 0 "[ . 1 .]" 1
519 1 80 LEU HA 1 83 ARG QB 4.000 . 5.000 2.497 2.212 2.813 . 0 0 "[ . 1 .]" 1
520 1 80 LEU HA 1 83 ARG HG2 4.600 . 4.600 4.137 2.575 4.796 0.196 10 0 "[ . 1 .]" 1
521 1 80 LEU HA 1 83 ARG QG 4.600 . 5.000 3.010 2.285 3.541 . 0 0 "[ . 1 .]" 1
522 1 80 LEU QB 1 83 ARG QG 5.000 . 7.000 4.730 4.008 5.215 . 0 0 "[ . 1 .]" 1
523 1 80 LEU QD 1 81 PHE H 4.100 . 6.500 3.788 2.267 4.141 . 0 0 "[ . 1 .]" 1
524 1 80 LEU QD 1 83 ARG H 4.800 . 7.200 4.434 4.147 4.835 . 0 0 "[ . 1 .]" 1
525 1 80 LEU QD 1 83 ARG QB 4.300 . 7.700 2.948 2.490 4.558 . 0 0 "[ . 1 .]" 1
526 1 80 LEU QD 1 84 GLN H 4.200 . 6.600 4.154 3.539 4.754 . 0 0 "[ . 1 .]" 1
527 1 80 LEU QD 1 84 GLN QE 4.100 . 6.500 3.345 2.057 5.704 . 0 0 "[ . 1 .]" 1
528 1 80 LEU QD 1 84 GLN QG 4.100 . 6.500 2.950 2.354 3.828 . 0 0 "[ . 1 .]" 1
529 1 80 LEU QD 1 85 GLY H 5.200 . 7.600 6.028 5.195 7.080 . 0 0 "[ . 1 .]" 1
530 1 80 LEU QD 1 86 GLN H 5.400 . 7.800 6.248 5.386 7.294 . 0 0 "[ . 1 .]" 1
531 1 80 LEU HG 1 83 ARG QB 4.800 . 5.800 4.484 3.869 5.627 . 0 0 "[ . 1 .]" 1
532 1 80 LEU HG 1 83 ARG QG 4.900 . 5.900 5.635 4.683 6.195 0.295 11 0 "[ . 1 .]" 1
533 1 81 PHE H 1 81 PHE QB 3.000 . 4.000 2.427 2.182 2.582 . 0 0 "[ . 1 .]" 1
534 1 81 PHE H 1 81 PHE QD 3.900 . 6.300 2.972 1.774 4.162 0.026 13 0 "[ . 1 .]" 1
535 1 81 PHE H 1 82 THR H 3.200 . 3.200 2.958 2.816 3.046 . 0 0 "[ . 1 .]" 1
536 1 81 PHE H 1 82 THR HB 5.500 . 5.500 5.493 5.360 5.634 0.134 10 0 "[ . 1 .]" 1
537 1 81 PHE HA 1 81 PHE QD 3.500 . 5.900 2.413 1.896 3.144 . 0 0 "[ . 1 .]" 1
538 1 81 PHE HA 1 81 PHE QE 4.800 . 7.200 4.476 4.246 4.688 . 0 0 "[ . 1 .]" 1
539 1 81 PHE HA 1 84 GLN H 4.300 . 4.300 3.833 3.496 4.403 0.103 14 0 "[ . 1 .]" 1
540 1 81 PHE HA 1 86 GLN H 4.500 . 4.500 3.643 2.527 4.945 0.445 9 0 "[ . 1 .]" 1
541 1 81 PHE HA 1 86 GLN QG 5.000 . 6.000 3.018 2.001 4.591 . 0 0 "[ . 1 .]" 1
542 1 81 PHE QB 1 82 THR H 3.200 . 4.200 2.376 2.249 2.533 . 0 0 "[ . 1 .]" 1
543 1 81 PHE QB 1 82 THR MG 4.800 . 6.800 3.887 3.587 4.138 . 0 0 "[ . 1 .]" 1
544 1 81 PHE QB 1 83 ARG H 5.000 . 6.000 4.400 4.272 4.518 . 0 0 "[ . 1 .]" 1
545 1 81 PHE QB 1 84 GLN H 5.500 . 6.500 5.127 4.793 5.529 . 0 0 "[ . 1 .]" 1
546 1 81 PHE QB 1 86 GLN H 5.500 . 6.500 4.495 3.564 6.038 . 0 0 "[ . 1 .]" 1
547 1 81 PHE QB 1 86 GLN QB 5.300 . 7.300 4.188 2.190 5.767 . 0 0 "[ . 1 .]" 1
548 1 81 PHE QB 1 89 ALA MB 5.500 . 7.500 4.569 3.471 5.483 . 0 0 "[ . 1 .]" 1
549 1 81 PHE QB 1 105 LEU MD1 4.400 . 6.400 4.780 3.478 6.175 . 0 0 "[ . 1 .]" 1
550 1 81 PHE QB 1 105 LEU MD2 4.400 . 6.400 3.152 1.805 4.929 . 0 0 "[ . 1 .]" 1
551 1 81 PHE QD 1 86 GLN QB 5.000 . 7.700 3.661 1.989 5.175 . 0 0 "[ . 1 .]" 1
552 1 81 PHE QD 1 86 GLN QG 4.500 . 7.900 3.284 2.120 4.286 . 0 0 "[ . 1 .]" 1
553 1 81 PHE QD 1 105 LEU QB 4.900 . 8.300 3.952 2.471 5.586 . 0 0 "[ . 1 .]" 1
554 1 81 PHE QD 1 105 LEU MD1 5.400 . 8.800 4.577 2.817 6.504 . 0 0 "[ . 1 .]" 1
555 1 81 PHE QD 1 105 LEU QD 4.300 . 9.100 3.274 2.103 4.890 . 0 0 "[ . 1 .]" 1
556 1 81 PHE QD 1 105 LEU MD2 5.400 . 8.800 3.417 2.113 5.055 . 0 0 "[ . 1 .]" 1
557 1 81 PHE QE 1 86 GLN QB 5.500 . 8.100 4.469 2.109 5.933 . 0 0 "[ . 1 .]" 1
558 1 81 PHE QE 1 86 GLN QG 4.800 . 8.200 4.161 2.811 5.101 . 0 0 "[ . 1 .]" 1
559 1 81 PHE QE 1 89 ALA MB 3.900 . 7.300 2.450 1.938 2.848 . 0 0 "[ . 1 .]" 1
560 1 81 PHE QE 1 90 GLN H 5.500 . 7.900 5.648 5.038 6.201 . 0 0 "[ . 1 .]" 1
561 1 81 PHE QE 1 103 ILE MD 4.700 . 8.100 3.620 2.225 5.250 . 0 0 "[ . 1 .]" 1
562 1 81 PHE QE 1 103 ILE MG 4.400 . 7.800 2.940 2.254 4.092 . 0 0 "[ . 1 .]" 1
563 1 81 PHE QE 1 105 LEU QD 5.400 . 10.200 4.206 1.950 6.423 . 0 0 "[ . 1 .]" 1
564 1 81 PHE HZ 1 86 GLN QG 5.000 . 6.000 5.608 4.313 6.349 0.349 12 0 "[ . 1 .]" 1
565 1 81 PHE HZ 1 89 ALA MB 4.100 . 5.100 2.632 1.917 4.192 . 0 0 "[ . 1 .]" 1
566 1 81 PHE HZ 1 103 ILE MD 5.000 . 6.000 3.844 2.679 5.887 . 0 0 "[ . 1 .]" 1
567 1 82 THR H 1 82 THR HB 3.100 . 3.100 2.631 2.577 2.736 . 0 0 "[ . 1 .]" 1
568 1 82 THR H 1 82 THR MG 3.200 . 4.200 2.108 1.942 2.269 . 0 0 "[ . 1 .]" 1
569 1 82 THR H 1 83 ARG QB 4.800 . 5.800 4.637 4.485 4.775 . 0 0 "[ . 1 .]" 1
570 1 82 THR H 1 83 ARG QG 4.900 . 5.900 4.260 3.978 4.604 . 0 0 "[ . 1 .]" 1
571 1 82 THR H 1 105 LEU QD 4.600 . 7.000 4.204 3.087 5.051 . 0 0 "[ . 1 .]" 1
572 1 82 THR H 1 138 LEU QD 4.200 . 6.600 4.572 4.111 4.988 . 0 0 "[ . 1 .]" 1
573 1 82 THR HA 1 82 THR MG 3.300 . 4.300 3.222 3.217 3.228 . 0 0 "[ . 1 .]" 1
574 1 82 THR HA 1 83 ARG HA 5.000 . 5.000 4.740 4.706 4.779 . 0 0 "[ . 1 .]" 1
575 1 82 THR HA 1 105 LEU QD 3.900 . 6.300 3.847 2.365 4.818 . 0 0 "[ . 1 .]" 1
576 1 82 THR MG 1 83 ARG H 3.600 . 4.600 2.561 2.389 2.920 . 0 0 "[ . 1 .]" 1
577 1 82 THR MG 1 83 ARG QB 4.400 . 6.400 3.940 3.793 4.187 . 0 0 "[ . 1 .]" 1
578 1 82 THR MG 1 83 ARG QD 5.200 . 7.200 3.933 2.850 4.580 . 0 0 "[ . 1 .]" 1
579 1 82 THR MG 1 83 ARG QG 4.100 . 6.100 2.697 2.501 2.946 . 0 0 "[ . 1 .]" 1
580 1 82 THR MG 1 84 GLN H 4.800 . 5.800 4.665 4.475 4.979 . 0 0 "[ . 1 .]" 1
581 1 82 THR MG 1 138 LEU QD 3.000 . 6.400 2.765 1.892 4.067 . 0 0 "[ . 1 .]" 1
582 1 83 ARG H 1 83 ARG QB 2.900 . 3.900 2.379 2.292 2.486 . 0 0 "[ . 1 .]" 1
583 1 83 ARG H 1 83 ARG QD 5.200 . 6.200 3.846 3.453 4.097 . 0 0 "[ . 1 .]" 1
584 1 83 ARG H 1 83 ARG HG2 3.300 . 3.300 3.345 2.271 3.926 0.626 3 2 "[ + . 1- .]" 1
585 1 83 ARG H 1 83 ARG QG 3.300 . 4.300 2.470 2.250 2.636 . 0 0 "[ . 1 .]" 1
586 1 83 ARG H 1 84 GLN H 3.000 . 3.000 2.599 2.433 2.807 . 0 0 "[ . 1 .]" 1
587 1 83 ARG H 1 84 GLN QG 5.200 . 5.200 4.306 3.940 4.808 . 0 0 "[ . 1 .]" 1
588 1 83 ARG HA 1 83 ARG HG2 4.100 . 4.100 2.638 2.451 3.132 . 0 0 "[ . 1 .]" 1
589 1 83 ARG QB 1 84 GLN H 3.200 . 4.200 2.518 2.161 3.117 . 0 0 "[ . 1 .]" 1
590 1 83 ARG QB 1 84 GLN HA 4.300 . 5.300 3.919 3.771 4.505 . 0 0 "[ . 1 .]" 1
591 1 83 ARG QB 1 84 GLN QG 4.100 . 5.000 2.968 2.675 3.256 . 0 0 "[ . 1 .]" 1
592 1 83 ARG QB 1 85 GLY H 5.400 . 6.400 4.668 4.101 6.195 . 0 0 "[ . 1 .]" 1
593 1 83 ARG QD 1 84 GLN H 5.500 . 6.500 4.823 4.285 5.448 . 0 0 "[ . 1 .]" 1
594 1 83 ARG QG 1 84 GLN H 4.600 . 5.600 4.111 3.804 4.416 . 0 0 "[ . 1 .]" 1
595 1 83 ARG QG 1 84 GLN QG 5.300 . 6.300 4.809 4.346 5.039 . 0 0 "[ . 1 .]" 1
596 1 84 GLN H 1 84 GLN QB 3.000 . 4.000 2.492 2.383 3.403 . 0 0 "[ . 1 .]" 1
597 1 84 GLN H 1 84 GLN QE 5.500 . 5.500 3.964 3.235 5.078 . 0 0 "[ . 1 .]" 1
598 1 84 GLN H 1 84 GLN QG . . 3.100 2.353 2.146 2.582 . 0 0 "[ . 1 .]" 1
599 1 84 GLN HA 1 84 GLN QG 3.800 . 3.800 2.639 2.390 3.343 . 0 0 "[ . 1 .]" 1
600 1 84 GLN QB 1 85 GLY H 4.500 . 4.800 2.884 1.848 4.047 . 0 0 "[ . 1 .]" 1
601 1 84 GLN QB 1 86 GLN H 3.100 . 4.100 2.921 2.447 4.474 0.374 6 0 "[ . 1 .]" 1
602 1 84 GLN QE 1 86 GLN H 5.500 . 5.500 5.017 3.641 6.738 1.238 11 3 "[ . *1+ -.]" 1
603 1 84 GLN QG 1 85 GLY H . . 4.300 4.140 3.737 4.508 0.208 11 0 "[ . 1 .]" 1
604 1 84 GLN QG 1 86 GLN H 4.800 . 4.800 4.704 4.227 5.072 0.272 11 0 "[ . 1 .]" 1
605 1 85 GLY H 1 86 GLN QB 4.200 . 5.200 4.476 3.890 4.847 . 0 0 "[ . 1 .]" 1
606 1 85 GLY QA 1 86 GLN H 3.000 . 4.000 2.831 2.684 2.911 . 0 0 "[ . 1 .]" 1
607 1 85 GLY QA 1 86 GLN HA 5.300 . 6.300 4.062 4.026 4.109 . 0 0 "[ . 1 .]" 1
608 1 86 GLN H 1 86 GLN QB 3.300 . 3.800 2.520 2.249 2.796 . 0 0 "[ . 1 .]" 1
609 1 86 GLN H 1 86 GLN QG 4.000 . 5.000 2.527 1.786 3.980 0.014 2 0 "[ . 1 .]" 1
610 1 86 GLN H 1 105 LEU QD 5.400 . 7.800 5.327 3.699 7.346 . 0 0 "[ . 1 .]" 1
611 1 86 GLN HA 1 86 GLN QG 3.700 . 4.700 2.953 2.336 3.365 . 0 0 "[ . 1 .]" 1
612 1 86 GLN HA 1 87 GLN H 2.700 . 2.700 2.447 2.113 2.805 0.105 10 0 "[ . 1 .]" 1
613 1 86 GLN HA 1 87 GLN HA 5.200 . 5.200 4.510 4.349 4.635 . 0 0 "[ . 1 .]" 1
614 1 86 GLN HA 1 87 GLN QG 4.600 . 5.600 3.692 3.117 4.825 . 0 0 "[ . 1 .]" 1
615 1 86 GLN HA 1 88 SER H 4.000 . 4.000 3.924 3.275 4.358 0.358 9 0 "[ . 1 .]" 1
616 1 86 GLN QB 1 86 GLN QE 3.700 . 4.700 2.470 1.698 3.474 0.102 8 0 "[ . 1 .]" 1
617 1 86 GLN QB 1 88 SER H 5.100 . 6.100 3.118 2.558 4.113 . 0 0 "[ . 1 .]" 1
618 1 86 GLN QB 1 89 ALA MB 4.600 . 6.600 4.124 3.364 5.209 . 0 0 "[ . 1 .]" 1
619 1 86 GLN QE 1 89 ALA HA 4.500 . 4.500 4.069 2.820 5.406 0.906 8 3 "[ . -+*1 .]" 1
620 1 86 GLN QE 1 89 ALA MB 4.100 . 5.100 2.940 1.972 4.999 . 0 0 "[ . 1 .]" 1
621 1 86 GLN QG 1 87 GLN H 3.300 . 4.300 3.491 2.118 4.448 0.148 2 0 "[ . 1 .]" 1
622 1 86 GLN QG 1 87 GLN HA 4.200 . 5.200 4.446 3.413 5.680 0.480 9 0 "[ . 1 .]" 1
623 1 86 GLN QG 1 88 SER H 3.800 . 4.800 3.653 1.924 4.745 . 0 0 "[ . 1 .]" 1
624 1 86 GLN QG 1 89 ALA MB 4.100 . 6.100 3.766 2.297 5.119 . 0 0 "[ . 1 .]" 1
625 1 87 GLN H 1 87 GLN QG 3.200 . 4.200 2.426 1.819 3.255 . 0 0 "[ . 1 .]" 1
626 1 87 GLN H 1 88 SER H 3.000 . 3.000 2.071 1.592 3.098 0.208 5 0 "[ . 1 .]" 1
627 1 87 GLN HA 1 87 GLN QG 3.400 . 4.400 3.356 3.331 3.514 . 0 0 "[ . 1 .]" 1
628 1 87 GLN HA 1 105 LEU H 4.000 . 4.000 4.204 3.307 5.740 1.740 8 3 "[ *. + 1 -.]" 1
629 1 87 GLN HA 1 105 LEU QB 4.100 . 5.100 2.435 1.813 3.488 . 0 0 "[ . 1 .]" 1
630 1 87 GLN HA 1 105 LEU HG 5.200 . 5.200 4.255 3.639 5.224 0.024 10 0 "[ . 1 .]" 1
631 1 87 GLN QB 1 87 GLN QE 3.500 . 4.500 2.711 1.778 3.457 0.022 6 0 "[ . 1 .]" 1
632 1 87 GLN QB 1 88 SER H 4.500 . 5.500 3.788 3.457 4.036 . 0 0 "[ . 1 .]" 1
633 1 87 GLN QB 1 105 LEU H 4.000 . 5.000 3.588 2.958 4.223 . 0 0 "[ . 1 .]" 1
634 1 87 GLN QB 1 105 LEU QB 4.700 . 6.700 2.832 1.831 3.618 . 0 0 "[ . 1 .]" 1
635 1 87 GLN QB 1 105 LEU HG 4.700 . 5.700 4.004 3.160 4.832 . 0 0 "[ . 1 .]" 1
636 1 87 GLN QG 1 88 SER H 4.400 . 5.400 2.979 2.223 3.864 . 0 0 "[ . 1 .]" 1
637 1 87 GLN QG 1 88 SER QB 4.500 . 6.500 3.310 2.850 4.031 . 0 0 "[ . 1 .]" 1
638 1 87 GLN QG 1 105 LEU H 4.300 . 5.300 4.603 4.089 5.290 . 0 0 "[ . 1 .]" 1
639 1 88 SER H 1 89 ALA H 4.500 . 4.500 4.316 4.204 4.508 0.008 3 0 "[ . 1 .]" 1
640 1 88 SER H 1 89 ALA MB 4.500 . 5.500 4.182 3.803 4.645 . 0 0 "[ . 1 .]" 1
641 1 88 SER HA 1 89 ALA H 2.700 . 2.700 2.236 2.146 2.345 . 0 0 "[ . 1 .]" 1
642 1 88 SER HA 1 89 ALA HA 4.500 . 4.500 4.449 4.407 4.502 0.002 14 0 "[ . 1 .]" 1
643 1 88 SER HA 1 89 ALA MB 4.200 . 5.200 3.875 3.805 3.949 . 0 0 "[ . 1 .]" 1
644 1 88 SER HA 1 103 ILE HB 4.600 . 4.600 4.339 3.723 4.762 0.162 13 0 "[ . 1 .]" 1
645 1 88 SER QB 1 89 ALA H 4.200 . 4.700 3.001 2.530 3.559 . 0 0 "[ . 1 .]" 1
646 1 89 ALA H 1 89 ALA MB 3.200 . 4.200 2.751 2.646 2.855 . 0 0 "[ . 1 .]" 1
647 1 89 ALA H 1 90 GLN H 4.500 . 4.500 4.267 3.917 4.380 . 0 0 "[ . 1 .]" 1
648 1 89 ALA H 1 102 HIS HA 5.200 . 5.200 4.416 4.046 5.121 . 0 0 "[ . 1 .]" 1
649 1 89 ALA H 1 103 ILE H 3.400 . 3.400 3.199 2.898 3.637 0.237 13 0 "[ . 1 .]" 1
650 1 89 ALA H 1 103 ILE HA 5.200 . 5.200 4.856 4.617 5.221 0.021 13 0 "[ . 1 .]" 1
651 1 89 ALA H 1 103 ILE HB 3.500 . 3.500 3.231 2.679 3.870 0.370 13 0 "[ . 1 .]" 1
652 1 89 ALA H 1 103 ILE MD 5.200 . 6.200 4.476 3.854 5.435 . 0 0 "[ . 1 .]" 1
653 1 89 ALA H 1 103 ILE MG 4.700 . 5.700 4.182 3.604 4.821 . 0 0 "[ . 1 .]" 1
654 1 89 ALA HA 1 90 GLN H 3.100 . 3.100 2.258 2.119 2.424 . 0 0 "[ . 1 .]" 1
655 1 89 ALA HA 1 90 GLN QE 4.000 . 4.000 3.648 2.427 5.516 1.516 6 4 "[ .+- 1 * *.]" 1
656 1 89 ALA HA 1 103 ILE HB 5.400 . 5.400 5.069 4.511 5.798 0.398 13 0 "[ . 1 .]" 1
657 1 89 ALA MB 1 90 GLN H 2.800 . 3.800 2.642 2.304 3.247 . 0 0 "[ . 1 .]" 1
658 1 89 ALA MB 1 90 GLN QB 4.700 . 6.700 4.525 4.249 4.889 . 0 0 "[ . 1 .]" 1
659 1 89 ALA MB 1 90 GLN QE 4.300 . 5.300 4.671 3.727 6.269 0.969 6 1 "[ .+ 1 .]" 1
660 1 89 ALA MB 1 90 GLN QG 5.500 . 7.500 4.827 4.330 5.261 . 0 0 "[ . 1 .]" 1
661 1 89 ALA MB 1 103 ILE H 4.600 . 5.600 3.838 2.903 4.205 . 0 0 "[ . 1 .]" 1
662 1 89 ALA MB 1 103 ILE HB 3.400 . 4.400 2.767 2.096 3.574 . 0 0 "[ . 1 .]" 1
663 1 89 ALA MB 1 103 ILE MD 3.300 . 5.300 3.054 2.068 3.918 . 0 0 "[ . 1 .]" 1
664 1 89 ALA MB 1 103 ILE HG12 5.100 . 6.100 4.764 4.159 5.803 . 0 0 "[ . 1 .]" 1
665 1 89 ALA MB 1 103 ILE MG 4.100 . 6.100 3.729 3.226 4.436 . 0 0 "[ . 1 .]" 1
666 1 90 GLN H 1 90 GLN QB 3.000 . 4.000 2.516 2.370 2.676 . 0 0 "[ . 1 .]" 1
667 1 90 GLN H 1 90 GLN QG 4.000 . 5.000 3.393 2.736 3.809 . 0 0 "[ . 1 .]" 1
668 1 90 GLN H 1 91 LEU H 4.900 . 4.900 4.273 4.035 4.500 . 0 0 "[ . 1 .]" 1
669 1 90 GLN HA 1 90 GLN QG 3.700 . 4.700 2.423 2.357 2.478 . 0 0 "[ . 1 .]" 1
670 1 90 GLN HA 1 91 LEU H 3.500 . 3.500 2.167 2.108 2.447 . 0 0 "[ . 1 .]" 1
671 1 90 GLN HA 1 91 LEU QB 5.300 . 6.300 4.074 3.866 4.455 . 0 0 "[ . 1 .]" 1
672 1 90 GLN HA 1 101 VAL H 4.500 . 4.500 3.930 3.420 4.818 0.318 1 0 "[ . 1 .]" 1
673 1 90 GLN HA 1 102 HIS H 5.500 . 5.500 5.090 4.638 5.453 . 0 0 "[ . 1 .]" 1
674 1 90 GLN HA 1 102 HIS HA 4.100 . 4.100 2.927 2.367 3.280 . 0 0 "[ . 1 .]" 1
675 1 90 GLN HA 1 103 ILE H 4.200 . 4.200 3.466 3.155 3.716 . 0 0 "[ . 1 .]" 1
676 1 90 GLN HA 1 103 ILE QG 5.500 . 6.500 4.829 3.876 5.665 . 0 0 "[ . 1 .]" 1
677 1 90 GLN QB 1 90 GLN HE22 4.500 . 5.500 3.936 3.586 4.374 . 0 0 "[ . 1 .]" 1
678 1 90 GLN QB 1 91 LEU H 3.100 . 4.100 3.239 2.407 3.408 . 0 0 "[ . 1 .]" 1
679 1 90 GLN QB 1 102 HIS HA 5.300 . 6.300 4.367 3.941 5.006 . 0 0 "[ . 1 .]" 1
680 1 90 GLN QG 1 91 LEU H 4.100 . 5.100 4.144 3.912 4.298 . 0 0 "[ . 1 .]" 1
681 1 90 GLN QG 1 102 HIS HA 4.200 . 5.200 2.973 1.989 3.916 . 0 0 "[ . 1 .]" 1
682 1 90 GLN QG 1 103 ILE H 4.700 . 5.700 4.305 3.180 5.098 . 0 0 "[ . 1 .]" 1
683 1 91 LEU H 1 91 LEU QB 3.500 . 4.500 2.476 2.317 2.795 . 0 0 "[ . 1 .]" 1
684 1 91 LEU H 1 91 LEU QD 4.800 . 7.200 3.852 3.430 4.078 . 0 0 "[ . 1 .]" 1
685 1 91 LEU H 1 100 GLN HA 4.400 . 4.400 4.456 3.067 5.131 0.731 13 1 "[ . 1 + .]" 1
686 1 91 LEU H 1 101 VAL H 3.500 . 3.500 2.833 2.457 3.405 . 0 0 "[ . 1 .]" 1
687 1 91 LEU H 1 101 VAL HB 4.500 . 4.500 3.457 2.679 4.335 . 0 0 "[ . 1 .]" 1
688 1 91 LEU HA 1 91 LEU QD 3.700 . 6.100 2.112 2.008 2.208 . 0 0 "[ . 1 .]" 1
689 1 91 LEU HA 1 92 ARG H 3.200 . 3.200 2.269 2.067 2.519 . 0 0 "[ . 1 .]" 1
690 1 91 LEU HA 1 93 LEU QD 5.400 . 7.800 4.885 4.021 6.530 . 0 0 "[ . 1 .]" 1
691 1 91 LEU QB 1 92 ARG H 4.300 . 5.300 3.430 2.314 3.860 . 0 0 "[ . 1 .]" 1
692 1 91 LEU QB 1 101 VAL H 5.000 . 5.400 3.924 2.899 5.257 . 0 0 "[ . 1 .]" 1
693 1 91 LEU QB 1 101 VAL HB 4.500 . 5.500 3.078 1.950 4.962 . 0 0 "[ . 1 .]" 1
694 1 91 LEU QD 1 92 ARG H 4.000 . 6.400 2.505 1.894 3.339 . 0 0 "[ . 1 .]" 1
695 1 91 LEU HG 1 92 ARG H 3.200 . 3.200 3.033 1.803 4.901 1.701 7 2 "[ . + - .]" 1
696 1 92 ARG H 1 92 ARG QB 3.200 . 4.200 2.251 2.095 2.510 . 0 0 "[ . 1 .]" 1
697 1 92 ARG H 1 92 ARG HD2 5.500 . 5.500 4.251 1.837 5.259 . 0 0 "[ . 1 .]" 1
698 1 92 ARG H 1 92 ARG HD3 5.500 . 5.500 4.457 2.846 5.998 0.498 15 0 "[ . 1 .]" 1
699 1 92 ARG H 1 92 ARG HG2 4.900 . 4.900 4.276 3.031 4.869 . 0 0 "[ . 1 .]" 1
700 1 92 ARG H 1 92 ARG QG 4.900 . 5.000 3.793 2.930 4.164 . 0 0 "[ . 1 .]" 1
701 1 92 ARG H 1 93 LEU H 4.500 . 4.500 4.447 4.065 4.610 0.110 14 0 "[ . 1 .]" 1
702 1 92 ARG H 1 93 LEU QD 4.500 . 6.900 4.330 3.451 5.846 . 0 0 "[ . 1 .]" 1
703 1 92 ARG HA 1 92 ARG HD2 5.300 . 5.300 3.496 1.995 4.663 . 0 0 "[ . 1 .]" 1
704 1 92 ARG HA 1 92 ARG QD 4.500 . 5.500 2.947 1.980 4.211 . 0 0 "[ . 1 .]" 1
705 1 92 ARG HA 1 92 ARG HD3 5.300 . 5.300 3.571 2.206 4.798 . 0 0 "[ . 1 .]" 1
706 1 92 ARG HA 1 93 LEU H 2.800 . 2.800 2.174 2.035 2.333 . 0 0 "[ . 1 .]" 1
707 1 92 ARG HA 1 93 LEU HA 4.600 . 4.600 4.416 4.362 4.486 . 0 0 "[ . 1 .]" 1
708 1 92 ARG HA 1 93 LEU QD 4.600 . 7.000 4.231 3.489 5.038 . 0 0 "[ . 1 .]" 1
709 1 92 ARG HA 1 100 GLN HA 3.500 . 3.500 2.738 2.323 3.717 0.217 12 0 "[ . 1 .]" 1
710 1 92 ARG HA 1 101 VAL H 5.200 . 5.200 4.219 3.580 5.134 . 0 0 "[ . 1 .]" 1
711 1 92 ARG QG 1 93 LEU H 5.300 . 6.300 3.239 2.096 4.334 . 0 0 "[ . 1 .]" 1
712 1 93 LEU H 1 93 LEU QB 3.200 . 4.200 2.636 2.458 2.810 . 0 0 "[ . 1 .]" 1
713 1 93 LEU H 1 93 LEU MD1 4.400 . 5.400 4.342 4.160 4.545 . 0 0 "[ . 1 .]" 1
714 1 93 LEU H 1 93 LEU QD 3.600 . 6.000 3.536 3.021 3.819 . 0 0 "[ . 1 .]" 1
715 1 93 LEU H 1 93 LEU MD2 4.400 . 5.400 3.772 3.102 4.329 . 0 0 "[ . 1 .]" 1
716 1 93 LEU H 1 93 LEU HG 3.500 . 3.500 4.097 2.805 5.101 1.601 13 7 "[ **-.** * + .]" 1
717 1 93 LEU H 1 98 LEU MD1 5.000 . 6.000 5.648 3.964 6.923 0.923 6 3 "[ .+ -1 *.]" 1
718 1 93 LEU H 1 100 GLN HA 3.600 . 3.600 3.218 2.118 4.802 1.202 8 2 "[ . + 1- .]" 1
719 1 93 LEU H 1 100 GLN QB 4.700 . 5.700 4.665 3.714 6.247 0.547 8 1 "[ . + 1 .]" 1
720 1 93 LEU H 1 101 VAL H 4.700 . 4.700 4.870 4.177 5.996 1.296 8 5 "[ . +-** *]" 1
721 1 93 LEU H 1 101 VAL MG2 4.200 . 5.200 4.259 2.889 5.030 . 0 0 "[ . 1 .]" 1
722 1 93 LEU HA 1 93 LEU MD1 4.200 . 5.200 3.070 1.932 3.873 . 0 0 "[ . 1 .]" 1
723 1 93 LEU HA 1 93 LEU QD 3.100 . 5.500 1.957 1.870 2.061 . 0 0 "[ . 1 .]" 1
724 1 93 LEU HA 1 93 LEU MD2 4.200 . 5.200 2.132 1.924 2.730 . 0 0 "[ . 1 .]" 1
725 1 93 LEU HA 1 94 HIS H 3.000 . 3.000 2.256 2.130 2.454 . 0 0 "[ . 1 .]" 1
726 1 93 LEU QB 1 94 HIS H 3.900 . 4.400 2.726 2.129 3.632 . 0 0 "[ . 1 .]" 1
727 1 93 LEU QB 1 99 GLY H 5.400 . 6.400 4.774 3.688 5.604 . 0 0 "[ . 1 .]" 1
728 1 93 LEU QB 1 101 VAL MG2 3.600 . 5.600 2.524 1.873 3.712 . 0 0 "[ . 1 .]" 1
729 1 93 LEU QD 1 94 HIS H 3.600 . 6.000 2.627 1.728 3.340 0.072 13 0 "[ . 1 .]" 1
730 1 93 LEU QD 1 101 VAL H 4.300 . 6.700 4.277 3.070 5.183 . 0 0 "[ . 1 .]" 1
731 1 93 LEU MD1 1 94 HIS H 5.000 . 6.000 3.341 1.833 4.725 . 0 0 "[ . 1 .]" 1
732 1 93 LEU MD2 1 94 HIS H 5.000 . 6.000 3.389 1.757 4.480 0.043 13 0 "[ . 1 .]" 1
733 1 93 LEU HG 1 100 GLN HA 5.300 . 5.300 5.066 4.210 5.536 0.236 2 0 "[ . 1 .]" 1
734 1 93 LEU HG 1 101 VAL MG2 3.600 . 4.600 2.636 1.971 3.737 . 0 0 "[ . 1 .]" 1
735 1 94 HIS H 1 94 HIS QB 3.600 . 4.100 2.603 2.360 3.044 . 0 0 "[ . 1 .]" 1
736 1 94 HIS H 1 95 PRO HA 4.900 . 4.900 4.972 4.797 5.210 0.310 3 0 "[ . 1 .]" 1
737 1 94 HIS HA 1 94 HIS HD2 5.000 . 5.000 3.354 2.297 4.625 . 0 0 "[ . 1 .]" 1
738 1 94 HIS HA 1 95 PRO HA 3.100 . 3.100 2.589 2.076 3.200 0.100 4 0 "[ . 1 .]" 1
739 1 94 HIS HA 1 95 PRO QB 4.200 . 5.200 4.005 3.823 4.265 . 0 0 "[ . 1 .]" 1
740 1 94 HIS HA 1 95 PRO QD 4.200 . 5.200 4.029 3.964 4.100 . 0 0 "[ . 1 .]" 1
741 1 94 HIS HA 1 96 GLU H 3.800 . 3.800 3.025 2.642 3.897 0.097 4 0 "[ . 1 .]" 1
742 1 94 HIS HA 1 96 GLU HA 3.800 . 3.800 3.182 2.609 3.583 . 0 0 "[ . 1 .]" 1
743 1 94 HIS HA 1 96 GLU QB 4.900 . 5.900 4.391 3.778 5.201 . 0 0 "[ . 1 .]" 1
744 1 94 HIS QB 1 95 PRO HA 4.000 . 5.000 2.332 1.954 2.939 . 0 0 "[ . 1 .]" 1
745 1 94 HIS HD2 1 95 PRO HA 4.600 . 4.600 3.882 2.435 4.942 0.342 11 0 "[ . 1 .]" 1
746 1 95 PRO HA 1 96 GLU H 2.600 . 2.600 2.192 2.014 2.333 . 0 0 "[ . 1 .]" 1
747 1 95 PRO HA 1 96 GLU HA 4.400 . 4.400 4.297 4.234 4.342 . 0 0 "[ . 1 .]" 1
748 1 95 PRO HA 1 96 GLU QB 4.800 . 5.800 4.482 4.384 4.639 . 0 0 "[ . 1 .]" 1
749 1 95 PRO HA 1 96 GLU QG 4.700 . 5.700 3.774 3.470 4.612 . 0 0 "[ . 1 .]" 1
750 1 95 PRO HA 1 97 GLU H 4.300 . 4.300 4.103 3.739 4.409 0.109 12 0 "[ . 1 .]" 1
751 1 95 PRO QB 1 96 GLU H 3.500 . 4.500 2.943 2.454 3.229 . 0 0 "[ . 1 .]" 1
752 1 95 PRO QB 1 97 GLU H 2.900 . 3.900 2.719 2.520 3.332 . 0 0 "[ . 1 .]" 1
753 1 95 PRO QB 1 98 LEU H 4.400 . 5.400 3.951 2.878 5.141 . 0 0 "[ . 1 .]" 1
754 1 95 PRO QD 1 97 GLU QG 4.800 . 6.800 4.966 3.000 6.496 . 0 0 "[ . 1 .]" 1
755 1 95 PRO QD 1 98 LEU H 4.800 . 5.800 4.811 3.961 5.802 0.002 8 0 "[ . 1 .]" 1
756 1 95 PRO QD 1 98 LEU MD1 3.700 . 5.700 3.132 2.016 5.338 . 0 0 "[ . 1 .]" 1
757 1 95 PRO QD 1 98 LEU MD2 4.300 . 6.300 4.430 2.758 5.945 . 0 0 "[ . 1 .]" 1
758 1 95 PRO QD 1 98 LEU HG 4.300 . 5.300 4.086 2.561 5.675 0.375 13 0 "[ . 1 .]" 1
759 1 95 PRO QG 1 96 GLU H 4.400 . 4.400 4.470 4.144 4.595 0.195 9 0 "[ . 1 .]" 1
760 1 95 PRO QG 1 97 GLU H 4.300 . 4.300 4.020 3.062 5.294 0.994 3 3 "[* + . 1 -.]" 1
761 1 95 PRO QG 1 97 GLU QG 3.900 . 4.900 3.720 2.005 4.798 . 0 0 "[ . 1 .]" 1
762 1 95 PRO QG 1 98 LEU H 4.100 . 4.100 4.165 2.783 5.107 1.007 1 6 "[+ * ** - 1 *.]" 1
763 1 95 PRO QG 1 98 LEU MD2 4.300 . 5.300 4.344 2.877 5.292 . 0 0 "[ . 1 .]" 1
764 1 96 GLU H 1 96 GLU QB 2.600 . 3.600 2.534 2.289 2.866 . 0 0 "[ . 1 .]" 1
765 1 96 GLU H 1 96 GLU QG 3.300 . 4.300 2.157 1.847 2.612 . 0 0 "[ . 1 .]" 1
766 1 96 GLU H 1 97 GLU H 3.800 . 3.800 2.941 2.466 3.153 . 0 0 "[ . 1 .]" 1
767 1 96 GLU HA 1 96 GLU QG 3.700 . 4.700 2.799 2.328 3.502 . 0 0 "[ . 1 .]" 1
768 1 96 GLU HA 1 98 LEU H 4.700 . 4.700 4.093 3.673 4.413 . 0 0 "[ . 1 .]" 1
769 1 96 GLU QB 1 97 GLU H 4.400 . 5.400 3.322 2.421 4.018 . 0 0 "[ . 1 .]" 1
770 1 96 GLU QG 1 97 GLU H 4.000 . 5.000 3.724 2.016 4.519 . 0 0 "[ . 1 .]" 1
771 1 97 GLU H 1 97 GLU QB 2.800 . 3.800 2.418 2.236 2.712 . 0 0 "[ . 1 .]" 1
772 1 97 GLU H 1 97 GLU QG 3.700 . 4.700 2.999 1.873 4.095 . 0 0 "[ . 1 .]" 1
773 1 97 GLU H 1 98 LEU H 3.400 . 3.400 2.996 2.796 3.199 . 0 0 "[ . 1 .]" 1
774 1 97 GLU H 1 98 LEU QB 5.300 . 6.300 5.005 4.747 5.199 . 0 0 "[ . 1 .]" 1
775 1 97 GLU H 1 98 LEU HG 4.700 . 4.700 4.824 4.321 6.549 1.849 6 2 "[ .+ 1 - .]" 1
776 1 97 GLU HA 1 97 GLU QG 3.400 . 4.400 3.000 2.461 3.378 . 0 0 "[ . 1 .]" 1
777 1 97 GLU QB 1 98 LEU H 4.200 . 5.200 2.853 2.037 3.611 . 0 0 "[ . 1 .]" 1
778 1 97 GLU QG 1 98 LEU H 3.500 . 4.500 2.655 1.651 3.601 0.149 11 0 "[ . 1 .]" 1
779 1 97 GLU QG 1 98 LEU HA 4.400 . 5.400 3.622 3.308 4.015 . 0 0 "[ . 1 .]" 1
780 1 97 GLU QG 1 98 LEU QB 4.100 . 6.100 4.312 3.621 4.987 . 0 0 "[ . 1 .]" 1
781 1 97 GLU QG 1 98 LEU MD1 3.700 . 5.700 4.189 1.853 5.540 . 0 0 "[ . 1 .]" 1
782 1 97 GLU QG 1 98 LEU MD2 3.800 . 5.800 3.138 2.228 4.857 . 0 0 "[ . 1 .]" 1
783 1 97 GLU QG 1 98 LEU HG 4.200 . 5.200 3.402 2.174 4.565 . 0 0 "[ . 1 .]" 1
784 1 97 GLU QG 1 99 GLY H 4.500 . 5.500 4.671 3.922 5.374 . 0 0 "[ . 1 .]" 1
785 1 98 LEU H 1 98 LEU MD1 3.800 . 4.800 3.288 1.581 3.767 0.319 13 0 "[ . 1 .]" 1
786 1 98 LEU H 1 98 LEU MD2 3.600 . 4.600 3.120 2.533 4.023 . 0 0 "[ . 1 .]" 1
787 1 98 LEU H 1 98 LEU HG 3.100 . 3.100 2.276 1.887 3.806 0.706 6 1 "[ .+ 1 .]" 1
788 1 98 LEU H 1 99 GLY H 3.100 . 3.100 2.669 2.550 2.839 . 0 0 "[ . 1 .]" 1
789 1 98 LEU HA 1 98 LEU MD1 4.500 . 5.500 3.765 2.853 3.923 . 0 0 "[ . 1 .]" 1
790 1 98 LEU HA 1 98 LEU MD2 3.400 . 4.400 2.415 1.989 3.782 . 0 0 "[ . 1 .]" 1
791 1 98 LEU HA 1 98 LEU HG 4.200 . 4.200 3.164 2.513 3.449 . 0 0 "[ . 1 .]" 1
792 1 98 LEU QB 1 99 GLY H 4.600 . 4.900 2.618 1.771 2.870 0.029 14 0 "[ . 1 .]" 1
793 1 98 LEU QB 1 99 GLY QA 5.200 . 7.200 3.916 3.597 4.018 . 0 0 "[ . 1 .]" 1
794 1 98 LEU MD1 1 99 GLY H 4.600 . 5.600 4.361 3.172 4.799 . 0 0 "[ . 1 .]" 1
795 1 98 LEU MD1 1 100 GLN H 4.200 . 5.200 4.920 4.653 5.379 0.179 14 0 "[ . 1 .]" 1
796 1 98 LEU MD1 1 119 PRO QD 3.800 . 5.800 3.258 2.362 4.722 . 0 0 "[ . 1 .]" 1
797 1 98 LEU MD2 1 99 GLY H 4.500 . 5.500 4.538 3.918 4.906 . 0 0 "[ . 1 .]" 1
798 1 98 LEU MD2 1 119 PRO QD 3.400 . 5.400 2.460 1.953 4.205 . 0 0 "[ . 1 .]" 1
799 1 98 LEU MD2 1 119 PRO HG2 4.100 . 5.100 2.710 1.941 5.159 0.059 14 0 "[ . 1 .]" 1
800 1 98 LEU MD2 1 119 PRO QG 3.600 . 5.600 2.421 1.919 3.601 . 0 0 "[ . 1 .]" 1
801 1 98 LEU MD2 1 119 PRO HG3 4.100 . 5.100 3.335 2.026 4.698 . 0 0 "[ . 1 .]" 1
802 1 98 LEU HG 1 99 GLY H 4.000 . 4.000 4.254 3.893 4.556 0.556 13 3 "[ .* 1 -+ .]" 1
803 1 98 LEU HG 1 100 GLN H 5.000 . 5.000 5.710 4.824 6.132 1.132 14 13 "[***** ***1***+-]" 1
804 1 99 GLY H 1 99 GLY QA 2.600 . 3.600 2.188 2.140 2.324 . 0 0 "[ . 1 .]" 1
805 1 99 GLY H 1 100 GLN H 3.900 . 3.900 3.388 2.521 3.566 . 0 0 "[ . 1 .]" 1
806 1 99 GLY QA 1 100 GLN H 3.000 . 4.000 2.757 2.705 2.849 . 0 0 "[ . 1 .]" 1
807 1 99 GLY QA 1 100 GLN QG 4.300 . 6.300 3.714 3.166 4.776 . 0 0 "[ . 1 .]" 1
808 1 100 GLN H 1 100 GLN QB 3.300 . 4.300 3.254 2.928 3.366 . 0 0 "[ . 1 .]" 1
809 1 100 GLN H 1 100 GLN QG 3.900 . 4.900 2.699 1.840 3.541 . 0 0 "[ . 1 .]" 1
810 1 100 GLN H 1 101 VAL H 4.400 . 4.400 4.262 3.648 4.405 0.005 14 0 "[ . 1 .]" 1
811 1 100 GLN H 1 101 VAL MG2 4.500 . 5.500 4.057 3.651 4.323 . 0 0 "[ . 1 .]" 1
812 1 100 GLN HA 1 100 GLN QG 3.600 . 4.600 3.370 3.319 3.510 . 0 0 "[ . 1 .]" 1
813 1 100 GLN HA 1 101 VAL H 2.900 . 2.900 2.384 2.098 2.564 . 0 0 "[ . 1 .]" 1
814 1 100 GLN HA 1 101 VAL MG2 4.400 . 5.400 3.525 3.272 3.942 . 0 0 "[ . 1 .]" 1
815 1 100 GLN QB 1 101 VAL H 3.200 . 4.200 2.377 1.929 3.756 . 0 0 "[ . 1 .]" 1
816 1 100 GLN QG 1 101 VAL H 4.100 . 5.100 3.538 2.793 4.456 . 0 0 "[ . 1 .]" 1
817 1 100 GLN QG 1 101 VAL HA 4.700 . 5.700 3.846 3.390 4.422 . 0 0 "[ . 1 .]" 1
818 1 101 VAL H 1 101 VAL HB 3.100 . 3.100 2.763 2.247 2.956 . 0 0 "[ . 1 .]" 1
819 1 101 VAL H 1 101 VAL MG1 4.300 . 5.300 3.873 3.625 3.979 . 0 0 "[ . 1 .]" 1
820 1 101 VAL H 1 101 VAL MG2 3.300 . 4.300 2.978 2.156 3.194 . 0 0 "[ . 1 .]" 1
821 1 101 VAL H 1 102 HIS H 5.300 . 5.300 4.270 4.158 4.504 . 0 0 "[ . 1 .]" 1
822 1 101 VAL H 1 103 ILE MD 4.300 . 5.300 4.887 3.944 6.059 0.759 14 2 "[ .- 1 +.]" 1
823 1 101 VAL HA 1 101 VAL MG1 3.500 . 4.500 2.457 2.397 2.513 . 0 0 "[ . 1 .]" 1
824 1 101 VAL HA 1 101 VAL MG2 3.300 . 4.300 2.380 2.298 2.435 . 0 0 "[ . 1 .]" 1
825 1 101 VAL HA 1 102 HIS H 3.000 . 3.000 2.217 2.177 2.358 . 0 0 "[ . 1 .]" 1
826 1 101 VAL HA 1 102 HIS HA 4.400 . 4.400 4.367 4.341 4.400 . 0 0 "[ . 1 .]" 1
827 1 101 VAL HA 1 117 VAL H 5.100 . 5.100 4.978 4.595 6.133 1.033 6 2 "[ .+ 1 -.]" 1
828 1 101 VAL HA 1 118 SER HA 5.300 . 5.300 4.539 3.388 5.720 0.420 7 0 "[ . 1 .]" 1
829 1 101 VAL HB 1 102 HIS H 4.300 . 4.300 4.119 3.775 4.399 0.099 14 0 "[ . 1 .]" 1
830 1 101 VAL HB 1 103 ILE MD 3.800 . 4.800 3.301 2.451 4.721 . 0 0 "[ . 1 .]" 1
831 1 101 VAL HB 1 103 ILE QG 4.000 . 5.000 3.956 3.440 4.549 . 0 0 "[ . 1 .]" 1
832 1 101 VAL MG1 1 102 HIS H 3.600 . 4.600 2.526 2.021 2.936 . 0 0 "[ . 1 .]" 1
833 1 101 VAL MG1 1 102 HIS HA 4.600 . 5.600 3.784 3.688 3.862 . 0 0 "[ . 1 .]" 1
834 1 101 VAL MG1 1 102 HIS QB 4.400 . 6.400 4.093 3.656 4.354 . 0 0 "[ . 1 .]" 1
835 1 101 VAL MG1 1 103 ILE H 4.800 . 5.800 3.623 3.462 3.881 . 0 0 "[ . 1 .]" 1
836 1 101 VAL MG1 1 103 ILE HA 4.900 . 5.900 3.740 3.521 3.867 . 0 0 "[ . 1 .]" 1
837 1 101 VAL MG1 1 103 ILE QG 3.800 . 5.800 2.498 2.174 3.158 . 0 0 "[ . 1 .]" 1
838 1 101 VAL MG1 1 104 SER H 5.500 . 6.500 5.470 5.129 5.777 . 0 0 "[ . 1 .]" 1
839 1 101 VAL MG1 1 116 MET HA 4.300 . 5.300 3.837 3.293 4.683 . 0 0 "[ . 1 .]" 1
840 1 101 VAL MG1 1 116 MET QB 4.000 . 5.700 3.070 2.492 4.548 . 0 0 "[ . 1 .]" 1
841 1 101 VAL MG1 1 116 MET QG 4.600 . 5.100 3.387 2.555 4.382 . 0 0 "[ . 1 .]" 1
842 1 101 VAL MG1 1 117 VAL H 3.600 . 4.600 3.314 2.563 3.817 . 0 0 "[ . 1 .]" 1
843 1 101 VAL MG1 1 118 SER H 5.100 . 6.100 4.905 3.968 5.803 . 0 0 "[ . 1 .]" 1
844 1 101 VAL MG1 1 118 SER QB 4.300 . 6.300 3.031 2.042 4.071 . 0 0 "[ . 1 .]" 1
845 1 101 VAL MG2 1 102 HIS H 5.100 . 6.100 3.949 3.728 4.092 . 0 0 "[ . 1 .]" 1
846 1 101 VAL MG2 1 118 SER QB 3.600 . 5.600 2.928 2.055 4.017 . 0 0 "[ . 1 .]" 1
847 1 102 HIS H 1 103 ILE H 4.600 . 4.600 4.168 4.074 4.315 . 0 0 "[ . 1 .]" 1
848 1 102 HIS H 1 103 ILE QG 4.800 . 5.800 4.602 4.182 5.009 . 0 0 "[ . 1 .]" 1
849 1 102 HIS H 1 116 MET HA 5.300 . 5.300 4.840 4.317 6.707 1.407 6 2 "[ .+ 1 -.]" 1
850 1 102 HIS H 1 117 VAL H 3.600 . 3.600 3.369 2.783 5.323 1.723 6 2 "[ .+ 1 -.]" 1
851 1 102 HIS H 1 117 VAL HA 5.500 . 5.500 5.270 4.530 6.774 1.274 6 2 "[ .+- 1 .]" 1
852 1 102 HIS H 1 117 VAL HB 4.100 . 4.100 3.295 2.613 4.175 0.075 7 0 "[ . 1 .]" 1
853 1 102 HIS H 1 117 VAL MG1 4.500 . 5.500 4.237 3.487 5.367 . 0 0 "[ . 1 .]" 1
854 1 102 HIS H 1 117 VAL MG2 4.800 . 5.800 4.478 3.954 5.128 . 0 0 "[ . 1 .]" 1
855 1 102 HIS H 1 118 SER HA 5.500 . 5.500 5.121 4.135 6.349 0.849 6 2 "[ .+- 1 .]" 1
856 1 102 HIS H 1 118 SER QB 5.300 . 6.300 4.895 3.397 7.335 1.035 6 1 "[ .+ 1 .]" 1
857 1 102 HIS HA 1 103 ILE MD 4.000 . 5.000 4.035 3.012 5.183 0.183 10 0 "[ . 1 .]" 1
858 1 102 HIS QB 1 103 ILE H 4.700 . 4.800 3.829 3.507 3.994 . 0 0 "[ . 1 .]" 1
859 1 102 HIS QB 1 117 VAL H 4.500 . 5.500 3.456 2.299 5.746 0.246 6 0 "[ . 1 .]" 1
860 1 102 HIS QB 1 117 VAL HB 3.700 . 4.700 2.467 1.805 4.367 . 0 0 "[ . 1 .]" 1
861 1 102 HIS QB 1 117 VAL MG1 4.800 . 6.000 3.639 2.801 4.927 . 0 0 "[ . 1 .]" 1
862 1 102 HIS QB 1 117 VAL MG2 4.100 . 5.500 3.118 2.560 4.305 . 0 0 "[ . 1 .]" 1
863 1 103 ILE H 1 103 ILE HB 3.200 . 3.200 2.531 2.466 2.598 . 0 0 "[ . 1 .]" 1
864 1 103 ILE H 1 103 ILE MD 3.600 . 4.600 2.744 1.841 3.696 . 0 0 "[ . 1 .]" 1
865 1 103 ILE H 1 103 ILE HG12 4.600 . 4.600 3.791 3.187 4.182 . 0 0 "[ . 1 .]" 1
866 1 103 ILE H 1 103 ILE QG 3.600 . 4.600 2.728 1.957 3.383 . 0 0 "[ . 1 .]" 1
867 1 103 ILE HA 1 103 ILE MD 4.400 . 5.400 3.560 3.129 3.886 . 0 0 "[ . 1 .]" 1
868 1 103 ILE HA 1 114 LEU QD 4.500 . 6.900 4.409 3.206 5.879 . 0 0 "[ . 1 .]" 1
869 1 103 ILE HA 1 115 GLN H 5.300 . 5.300 5.041 4.386 6.092 0.792 14 2 "[ .- 1 +.]" 1
870 1 103 ILE HA 1 116 MET HA 3.700 . 3.700 2.848 2.340 3.420 . 0 0 "[ . 1 .]" 1
871 1 103 ILE HA 1 116 MET QG 4.600 . 4.600 2.856 1.994 4.209 . 0 0 "[ . 1 .]" 1
872 1 103 ILE HB 1 103 ILE MD 3.200 . 4.200 2.353 2.260 2.453 . 0 0 "[ . 1 .]" 1
873 1 103 ILE HB 1 104 SER H 4.700 . 4.700 4.156 3.253 4.375 . 0 0 "[ . 1 .]" 1
874 1 103 ILE HB 1 104 SER HA 5.200 . 5.200 4.789 4.571 4.998 . 0 0 "[ . 1 .]" 1
875 1 103 ILE MD 1 116 MET QG 4.600 . 5.600 3.843 3.123 4.536 . 0 0 "[ . 1 .]" 1
876 1 103 ILE QG 1 104 SER H 5.200 . 6.200 4.205 3.907 4.369 . 0 0 "[ . 1 .]" 1
877 1 103 ILE QG 1 116 MET QG 4.400 . 5.300 2.536 1.883 3.495 . 0 0 "[ . 1 .]" 1
878 1 103 ILE QG 1 117 VAL H 5.300 . 6.300 4.675 3.647 5.154 . 0 0 "[ . 1 .]" 1
879 1 103 ILE HG12 1 103 ILE MG 3.100 . 4.100 2.275 2.155 2.417 . 0 0 "[ . 1 .]" 1
880 1 103 ILE HG12 1 104 SER H 5.500 . 5.500 4.947 4.148 5.454 . 0 0 "[ . 1 .]" 1
881 1 103 ILE HG12 1 116 MET QG 3.400 . 3.400 3.148 2.008 3.618 0.218 11 0 "[ . 1 .]" 1
882 1 103 ILE MG 1 104 SER H 3.400 . 4.400 2.774 1.662 3.210 0.138 14 0 "[ . 1 .]" 1
883 1 103 ILE MG 1 104 SER HA 4.000 . 5.000 3.715 3.448 3.970 . 0 0 "[ . 1 .]" 1
884 1 103 ILE MG 1 104 SER QB 5.300 . 7.300 4.382 3.873 4.766 . 0 0 "[ . 1 .]" 1
885 1 103 ILE MG 1 105 LEU H 5.200 . 6.200 4.156 2.650 5.167 . 0 0 "[ . 1 .]" 1
886 1 103 ILE MG 1 116 MET QB 4.700 . 6.700 4.562 4.176 5.173 . 0 0 "[ . 1 .]" 1
887 1 103 ILE MG 1 116 MET ME 4.200 . 6.200 3.907 2.312 4.785 . 0 0 "[ . 1 .]" 1
888 1 103 ILE MG 1 116 MET QG 3.900 . 4.700 2.757 2.265 3.550 . 0 0 "[ . 1 .]" 1
889 1 104 SER H 1 104 SER QB 3.500 . 4.500 2.571 2.373 2.842 . 0 0 "[ . 1 .]" 1
890 1 104 SER H 1 105 LEU H 4.700 . 4.700 4.244 3.668 4.567 . 0 0 "[ . 1 .]" 1
891 1 104 SER H 1 115 GLN QB 4.800 . 5.800 3.307 2.330 4.025 . 0 0 "[ . 1 .]" 1
892 1 104 SER H 1 116 MET ME 5.300 . 6.300 5.707 4.382 6.798 0.498 11 0 "[ . 1 .]" 1
893 1 104 SER H 1 116 MET QG 5.000 . 5.000 3.848 3.246 5.093 0.093 11 0 "[ . 1 .]" 1
894 1 104 SER HA 1 105 LEU H 2.700 . 2.700 2.434 2.203 2.628 . 0 0 "[ . 1 .]" 1
895 1 104 SER QB 1 105 LEU H 3.500 . 4.500 3.071 2.149 4.066 . 0 0 "[ . 1 .]" 1
896 1 104 SER QB 1 115 GLN H 4.700 . 5.000 3.465 2.887 4.065 . 0 0 "[ . 1 .]" 1
897 1 104 SER QB 1 115 GLN QB 3.400 . 5.400 1.963 1.784 2.454 0.016 5 0 "[ . 1 .]" 1
898 1 104 SER QB 1 115 GLN QE 4.200 . 5.200 3.015 2.209 5.103 . 0 0 "[ . 1 .]" 1
899 1 105 LEU H 1 105 LEU QB 3.600 . 4.200 2.569 2.154 2.838 . 0 0 "[ . 1 .]" 1
900 1 105 LEU H 1 105 LEU MD1 5.500 . 6.500 4.329 4.114 4.491 . 0 0 "[ . 1 .]" 1
901 1 105 LEU H 1 105 LEU QD 4.300 . 6.700 3.945 3.702 4.093 . 0 0 "[ . 1 .]" 1
902 1 105 LEU H 1 105 LEU MD2 5.500 . 6.500 4.557 4.188 4.810 . 0 0 "[ . 1 .]" 1
903 1 105 LEU H 1 106 LYS H 4.600 . 4.600 4.140 3.723 4.388 . 0 0 "[ . 1 .]" 1
904 1 105 LEU HA 1 105 LEU MD1 4.200 . 5.200 2.156 2.086 2.222 . 0 0 "[ . 1 .]" 1
905 1 105 LEU HA 1 105 LEU QD 3.400 . 5.800 2.145 2.077 2.210 . 0 0 "[ . 1 .]" 1
906 1 105 LEU HA 1 105 LEU MD2 4.200 . 5.200 3.904 3.878 3.928 . 0 0 "[ . 1 .]" 1
907 1 105 LEU HA 1 105 LEU HG 4.200 . 4.200 3.123 3.016 3.348 . 0 0 "[ . 1 .]" 1
908 1 105 LEU HA 1 106 LYS H 2.700 . 2.700 2.151 2.087 2.274 . 0 0 "[ . 1 .]" 1
909 1 105 LEU HA 1 113 GLN H 4.700 . 4.700 4.759 4.382 5.117 0.417 14 0 "[ . 1 .]" 1
910 1 105 LEU HA 1 113 GLN QG 5.500 . 5.500 4.999 4.139 5.705 0.205 4 0 "[ . 1 .]" 1
911 1 105 LEU HA 1 114 LEU HA 3.500 . 3.500 2.882 2.117 3.395 . 0 0 "[ . 1 .]" 1
912 1 105 LEU HA 1 114 LEU MD1 4.700 . 5.700 4.197 2.752 5.860 0.160 6 0 "[ . 1 .]" 1
913 1 105 LEU HA 1 114 LEU QD 3.900 . 6.300 3.023 2.645 3.480 . 0 0 "[ . 1 .]" 1
914 1 105 LEU HA 1 114 LEU MD2 4.700 . 5.700 3.852 2.651 5.613 . 0 0 "[ . 1 .]" 1
915 1 105 LEU HA 1 114 LEU HG 5.500 . 6.500 5.589 4.559 6.537 0.037 15 0 "[ . 1 .]" 1
916 1 105 LEU HA 1 115 GLN H 4.000 . 4.000 3.370 2.903 3.956 . 0 0 "[ . 1 .]" 1
917 1 105 LEU QB 1 106 LYS H 4.300 . 4.800 3.760 3.377 3.905 . 0 0 "[ . 1 .]" 1
918 1 105 LEU QD 1 106 LYS H 3.500 . 5.900 2.556 2.176 2.916 . 0 0 "[ . 1 .]" 1
919 1 105 LEU QD 1 107 LEU H 5.000 . 7.400 4.716 3.293 5.402 . 0 0 "[ . 1 .]" 1
920 1 105 LEU QD 1 112 ALA HA 4.000 . 6.400 3.732 2.710 4.177 . 0 0 "[ . 1 .]" 1
921 1 105 LEU QD 1 112 ALA MB 2.700 . 6.100 2.047 1.760 2.596 0.040 5 0 "[ . 1 .]" 1
922 1 105 LEU QD 1 113 GLN H 4.100 . 6.500 3.500 2.677 3.988 . 0 0 "[ . 1 .]" 1
923 1 105 LEU QD 1 114 LEU HA 4.400 . 6.800 2.895 2.217 3.838 . 0 0 "[ . 1 .]" 1
924 1 105 LEU QD 1 115 GLN H 5.400 . 7.800 4.201 3.676 4.922 . 0 0 "[ . 1 .]" 1
925 1 105 LEU MD1 1 106 LYS H 4.300 . 5.300 2.570 2.181 2.944 . 0 0 "[ . 1 .]" 1
926 1 105 LEU MD1 1 112 ALA MB 4.100 . 6.100 2.064 1.777 2.615 0.023 7 0 "[ . 1 .]" 1
927 1 105 LEU MD2 1 106 LYS H 4.300 . 5.300 4.594 3.848 4.932 . 0 0 "[ . 1 .]" 1
928 1 105 LEU MD2 1 112 ALA MB 4.100 . 6.100 3.439 2.473 4.386 . 0 0 "[ . 1 .]" 1
929 1 105 LEU HG 1 106 LYS H 3.600 . 3.600 3.204 2.169 3.716 0.116 7 0 "[ . 1 .]" 1
930 1 105 LEU HG 1 106 LYS HA 5.400 . 5.400 3.947 3.476 4.343 . 0 0 "[ . 1 .]" 1
931 1 105 LEU HG 1 113 GLN H 5.200 . 5.200 4.779 4.051 5.505 0.305 12 0 "[ . 1 .]" 1
932 1 106 LYS H 1 106 LYS QB 3.600 . 4.000 2.454 2.294 2.672 . 0 0 "[ . 1 .]" 1
933 1 106 LYS H 1 107 LEU H 4.000 . 4.000 4.383 3.886 4.587 0.587 5 4 "[* * + - .]" 1
934 1 106 LYS H 1 112 ALA MB 4.700 . 5.700 4.038 3.487 4.891 . 0 0 "[ . 1 .]" 1
935 1 106 LYS H 1 113 GLN H 3.200 . 3.200 3.094 2.565 3.357 0.157 5 0 "[ . 1 .]" 1
936 1 106 LYS H 1 113 GLN QB 4.000 . 5.000 3.320 2.857 3.786 . 0 0 "[ . 1 .]" 1
937 1 106 LYS H 1 113 GLN QG 4.700 . 4.700 4.213 3.575 4.762 0.062 9 0 "[ . 1 .]" 1
938 1 106 LYS H 1 114 LEU HA 4.600 . 4.600 3.831 3.380 4.461 . 0 0 "[ . 1 .]" 1
939 1 106 LYS H 1 114 LEU QD 4.700 . 7.100 4.206 3.438 4.726 . 0 0 "[ . 1 .]" 1
940 1 106 LYS HA 1 107 LEU H 2.900 . 2.900 2.261 2.157 2.475 . 0 0 "[ . 1 .]" 1
941 1 106 LYS HA 1 113 GLN H 5.000 . 5.000 4.596 4.349 4.755 . 0 0 "[ . 1 .]" 1
942 1 106 LYS QB 1 107 LEU H 4.900 . 5.100 3.200 2.462 3.831 . 0 0 "[ . 1 .]" 1
943 1 106 LYS QB 1 113 GLN H 4.900 . 5.000 2.833 2.284 3.562 . 0 0 "[ . 1 .]" 1
944 1 106 LYS QB 1 113 GLN QB 3.800 . 5.800 1.957 1.748 2.251 0.052 9 0 "[ . 1 .]" 1
945 1 106 LYS QD 1 113 GLN QG 5.300 . 6.300 3.994 3.447 5.340 . 0 0 "[ . 1 .]" 1
946 1 106 LYS QG 1 107 LEU H 4.100 . 5.100 3.437 2.400 4.437 . 0 0 "[ . 1 .]" 1
947 1 107 LEU H 1 107 LEU QB 3.100 . 4.100 2.576 2.225 2.688 . 0 0 "[ . 1 .]" 1
948 1 107 LEU H 1 107 LEU MD1 5.500 . 6.500 4.377 4.180 4.683 . 0 0 "[ . 1 .]" 1
949 1 107 LEU H 1 107 LEU QD 4.600 . 7.000 3.951 3.749 4.028 . 0 0 "[ . 1 .]" 1
950 1 107 LEU H 1 107 LEU MD2 5.500 . 6.500 4.517 4.237 4.693 . 0 0 "[ . 1 .]" 1
951 1 107 LEU H 1 107 LEU HG 4.500 . 4.500 4.569 4.412 4.998 0.498 4 0 "[ . 1 .]" 1
952 1 107 LEU H 1 108 ASP H 5.100 . 5.100 4.091 3.822 4.291 . 0 0 "[ . 1 .]" 1
953 1 107 LEU H 1 112 ALA HA 4.800 . 4.800 4.705 4.300 4.816 0.016 14 0 "[ . 1 .]" 1
954 1 107 LEU H 1 112 ALA MB 5.500 . 6.500 5.049 4.627 5.351 . 0 0 "[ . 1 .]" 1
955 1 107 LEU H 1 113 GLN H 5.100 . 5.100 4.736 4.338 4.974 . 0 0 "[ . 1 .]" 1
956 1 107 LEU HA 1 107 LEU QD 3.400 . 5.800 2.165 1.947 2.749 . 0 0 "[ . 1 .]" 1
957 1 107 LEU HA 1 108 ASP H 2.900 . 2.900 2.144 2.074 2.204 . 0 0 "[ . 1 .]" 1
958 1 107 LEU HA 1 111 GLN QG 4.500 . 5.500 4.799 4.063 5.677 0.177 13 0 "[ . 1 .]" 1
959 1 107 LEU HA 1 112 ALA HA 3.400 . 3.400 2.394 2.153 2.659 . 0 0 "[ . 1 .]" 1
960 1 107 LEU HA 1 112 ALA MB 4.100 . 5.100 3.180 2.655 3.492 . 0 0 "[ . 1 .]" 1
961 1 107 LEU HA 1 113 GLN H 3.900 . 3.900 3.627 3.078 3.986 0.086 9 0 "[ . 1 .]" 1
962 1 107 LEU QB 1 108 ASP H 4.200 . 5.200 3.841 3.656 3.990 . 0 0 "[ . 1 .]" 1
963 1 107 LEU QB 1 108 ASP HA 4.900 . 5.900 4.543 4.330 4.722 . 0 0 "[ . 1 .]" 1
964 1 107 LEU QB 1 112 ALA HA 5.000 . 6.000 3.987 3.269 4.301 . 0 0 "[ . 1 .]" 1
965 1 107 LEU QB 1 112 ALA MB 4.000 . 6.000 3.482 3.015 3.975 . 0 0 "[ . 1 .]" 1
966 1 107 LEU QB 1 113 GLN H 5.500 . 6.500 4.923 4.401 5.337 . 0 0 "[ . 1 .]" 1
967 1 107 LEU QD 1 108 ASP H 3.600 . 6.000 2.598 2.191 3.068 . 0 0 "[ . 1 .]" 1
968 1 107 LEU QD 1 108 ASP QB 4.900 . 8.300 4.363 4.001 4.705 . 0 0 "[ . 1 .]" 1
969 1 107 LEU QD 1 110 ASN H 4.200 . 6.600 4.472 4.001 4.996 . 0 0 "[ . 1 .]" 1
970 1 107 LEU QD 1 110 ASN HA 3.900 . 6.300 3.266 2.384 3.851 . 0 0 "[ . 1 .]" 1
971 1 107 LEU QD 1 111 GLN H 3.800 . 6.200 3.163 2.831 3.606 . 0 0 "[ . 1 .]" 1
972 1 107 LEU QD 1 111 GLN QG 4.100 . 7.500 4.322 3.955 5.043 . 0 0 "[ . 1 .]" 1
973 1 107 LEU QD 1 112 ALA H 5.000 . 7.400 3.998 3.163 5.073 . 0 0 "[ . 1 .]" 1
974 1 107 LEU QD 1 112 ALA HA 3.800 . 6.200 3.057 2.533 4.137 . 0 0 "[ . 1 .]" 1
975 1 107 LEU HG 1 108 ASP H 4.000 . 4.000 3.606 2.901 5.017 1.017 4 1 "[ +. 1 .]" 1
976 1 108 ASP H 1 109 ASP H 4.700 . 4.700 4.312 4.163 4.515 . 0 0 "[ . 1 .]" 1
977 1 108 ASP H 1 111 GLN H 3.500 . 3.500 3.184 2.904 3.590 0.090 7 0 "[ . 1 .]" 1
978 1 108 ASP H 1 111 GLN QB 5.000 . 6.000 4.795 4.333 5.036 . 0 0 "[ . 1 .]" 1
979 1 108 ASP H 1 111 GLN HG2 4.800 . 4.800 4.427 3.404 5.790 0.990 13 2 "[ . - + .]" 1
980 1 108 ASP H 1 111 GLN QG 4.100 . 5.100 3.305 2.495 4.207 . 0 0 "[ . 1 .]" 1
981 1 108 ASP H 1 111 GLN HG3 4.800 . 4.800 3.447 2.566 4.320 . 0 0 "[ . 1 .]" 1
982 1 108 ASP H 1 112 ALA H 5.500 . 5.500 5.045 4.834 5.329 . 0 0 "[ . 1 .]" 1
983 1 108 ASP H 1 112 ALA HA 4.100 . 4.100 3.372 3.035 3.806 . 0 0 "[ . 1 .]" 1
984 1 108 ASP H 1 112 ALA MB 4.800 . 5.800 4.368 3.838 4.922 . 0 0 "[ . 1 .]" 1
985 1 108 ASP H 1 113 GLN H 5.300 . 5.300 4.594 3.933 5.195 . 0 0 "[ . 1 .]" 1
986 1 108 ASP HA 1 109 ASP H 2.800 . 2.800 2.218 2.122 2.393 . 0 0 "[ . 1 .]" 1
987 1 108 ASP QB 1 109 ASP H 4.400 . 5.400 3.606 2.897 3.866 . 0 0 "[ . 1 .]" 1
988 1 108 ASP QB 1 111 GLN H 4.300 . 5.300 4.135 3.638 4.696 . 0 0 "[ . 1 .]" 1
989 1 108 ASP QB 1 111 GLN QB 4.700 . 6.700 4.777 3.974 5.682 . 0 0 "[ . 1 .]" 1
990 1 108 ASP QB 1 111 GLN QG 3.500 . 5.500 2.871 1.973 4.298 . 0 0 "[ . 1 .]" 1
991 1 109 ASP H 1 110 ASN H 4.200 . 4.200 4.184 4.002 4.381 0.181 13 0 "[ . 1 .]" 1
992 1 109 ASP QB 1 110 ASN H 3.300 . 4.000 1.869 1.699 2.156 0.101 13 0 "[ . 1 .]" 1
993 1 109 ASP QB 1 110 ASN HA 4.500 . 5.500 4.376 4.158 4.560 . 0 0 "[ . 1 .]" 1
994 1 109 ASP QB 1 110 ASN QD 4.500 . 5.500 3.874 2.140 5.945 0.445 1 0 "[ . 1 .]" 1
995 1 109 ASP QB 1 111 GLN H 4.800 . 5.400 3.425 3.090 3.906 . 0 0 "[ . 1 .]" 1
996 1 110 ASN H 1 110 ASN HA 2.900 . 2.900 2.916 2.876 2.934 0.034 8 0 "[ . 1 .]" 1
997 1 110 ASN H 1 110 ASN QB 3.500 . 4.500 2.963 2.692 3.257 . 0 0 "[ . 1 .]" 1
998 1 110 ASN H 1 111 GLN H 2.800 . 2.800 2.136 1.970 2.303 . 0 0 "[ . 1 .]" 1
999 1 110 ASN H 1 111 GLN QB 4.300 . 5.300 3.761 3.483 3.954 . 0 0 "[ . 1 .]" 1
1000 1 110 ASN H 1 111 GLN HG2 4.600 . 4.600 3.326 2.594 4.156 . 0 0 "[ . 1 .]" 1
1001 1 110 ASN H 1 111 GLN QG 4.000 . 5.000 2.889 2.490 3.240 . 0 0 "[ . 1 .]" 1
1002 1 110 ASN H 1 111 GLN HG3 4.600 . 4.600 3.858 2.520 4.613 0.013 3 0 "[ . 1 .]" 1
1003 1 110 ASN HA 1 111 GLN H 3.400 . 3.400 2.917 2.789 3.052 . 0 0 "[ . 1 .]" 1
1004 1 110 ASN HA 1 143 ILE HA 5.000 . 5.000 4.212 3.061 5.013 0.013 8 0 "[ . 1 .]" 1
1005 1 110 ASN HA 1 143 ILE MD 5.400 . 6.400 5.645 4.503 6.523 0.123 13 0 "[ . 1 .]" 1
1006 1 110 ASN HA 1 144 GLN H 5.500 . 5.500 4.601 4.204 5.224 . 0 0 "[ . 1 .]" 1
1007 1 110 ASN QB 1 143 ILE HA 4.100 . 5.100 4.033 2.679 5.265 0.165 8 0 "[ . 1 .]" 1
1008 1 111 GLN H 1 111 GLN QB 3.200 . 4.200 3.108 2.981 3.257 . 0 0 "[ . 1 .]" 1
1009 1 111 GLN H 1 111 GLN HG2 3.700 . 3.700 2.974 2.181 3.909 0.209 13 0 "[ . 1 .]" 1
1010 1 111 GLN H 1 111 GLN HG3 3.700 . 3.700 2.838 2.236 3.348 . 0 0 "[ . 1 .]" 1
1011 1 111 GLN H 1 112 ALA H 4.700 . 4.700 4.293 4.170 4.353 . 0 0 "[ . 1 .]" 1
1012 1 111 GLN HA 1 112 ALA MB 4.500 . 5.500 3.864 3.812 3.905 . 0 0 "[ . 1 .]" 1
1013 1 111 GLN HA 1 143 ILE MG 3.900 . 4.900 3.496 2.830 4.183 . 0 0 "[ . 1 .]" 1
1014 1 111 GLN HA 1 144 GLN QB 4.200 . 5.200 2.829 2.162 4.272 . 0 0 "[ . 1 .]" 1
1015 1 111 GLN QB 1 112 ALA H 5.100 . 5.300 2.976 2.638 3.332 . 0 0 "[ . 1 .]" 1
1016 1 111 GLN QG 1 112 ALA H 4.600 . 5.600 4.174 3.817 4.490 . 0 0 "[ . 1 .]" 1
1017 1 111 GLN QG 1 112 ALA HA 4.800 . 5.800 4.354 3.821 5.061 . 0 0 "[ . 1 .]" 1
1018 1 112 ALA H 1 112 ALA MB 3.100 . 4.100 2.407 2.203 2.556 . 0 0 "[ . 1 .]" 1
1019 1 112 ALA H 1 113 GLN H 5.300 . 5.300 4.356 4.310 4.421 . 0 0 "[ . 1 .]" 1
1020 1 112 ALA H 1 143 ILE MG 3.700 . 4.700 3.159 2.770 3.855 . 0 0 "[ . 1 .]" 1
1021 1 112 ALA H 1 145 LEU HA 4.000 . 4.000 2.702 2.330 3.052 . 0 0 "[ . 1 .]" 1
1022 1 112 ALA H 1 145 LEU QD 4.500 . 6.900 3.506 3.011 4.002 . 0 0 "[ . 1 .]" 1
1023 1 112 ALA HA 1 113 GLN H 2.700 . 2.700 2.132 2.079 2.216 . 0 0 "[ . 1 .]" 1
1024 1 112 ALA HA 1 113 GLN QB 4.500 . 5.500 4.041 3.990 4.083 . 0 0 "[ . 1 .]" 1
1025 1 112 ALA HA 1 143 ILE MG 4.500 . 5.500 4.207 3.876 4.765 . 0 0 "[ . 1 .]" 1
1026 1 112 ALA MB 1 113 GLN H 3.300 . 4.300 3.010 2.816 3.350 . 0 0 "[ . 1 .]" 1
1027 1 112 ALA MB 1 113 GLN HA 4.500 . 5.500 4.181 4.063 4.272 . 0 0 "[ . 1 .]" 1
1028 1 112 ALA MB 1 143 ILE MG 2.900 . 4.900 2.229 2.052 2.594 . 0 0 "[ . 1 .]" 1
1029 1 112 ALA MB 1 144 GLN H 4.700 . 5.700 4.218 3.549 4.998 . 0 0 "[ . 1 .]" 1
1030 1 112 ALA MB 1 145 LEU H 5.200 . 6.200 4.612 3.855 5.234 . 0 0 "[ . 1 .]" 1
1031 1 112 ALA MB 1 145 LEU HA 3.500 . 4.500 2.973 2.403 3.455 . 0 0 "[ . 1 .]" 1
1032 1 112 ALA MB 1 145 LEU QD 3.700 . 7.100 2.286 1.808 3.098 . 0 0 "[ . 1 .]" 1
1033 1 112 ALA MB 1 145 LEU HG 4.700 . 5.700 4.419 3.576 5.397 . 0 0 "[ . 1 .]" 1
1034 1 113 GLN H 1 113 GLN QG 4.500 . 4.500 3.962 3.777 4.040 . 0 0 "[ . 1 .]" 1
1035 1 113 GLN H 1 114 LEU H 4.500 . 4.500 4.333 4.243 4.438 . 0 0 "[ . 1 .]" 1
1036 1 113 GLN H 1 114 LEU QD 4.600 . 7.000 5.000 3.735 5.760 . 0 0 "[ . 1 .]" 1
1037 1 113 GLN H 1 145 LEU QD 4.900 . 7.300 4.557 4.077 5.388 . 0 0 "[ . 1 .]" 1
1038 1 113 GLN HA 1 113 GLN QG 3.900 . 3.900 2.578 2.408 3.107 . 0 0 "[ . 1 .]" 1
1039 1 113 GLN HA 1 114 LEU H 2.900 . 2.900 2.129 2.109 2.173 . 0 0 "[ . 1 .]" 1
1040 1 113 GLN HA 1 145 LEU QD 3.800 . 6.200 3.752 2.905 4.570 . 0 0 "[ . 1 .]" 1
1041 1 113 GLN HA 1 147 GLN QB 4.200 . 5.200 3.109 1.854 3.915 . 0 0 "[ . 1 .]" 1
1042 1 113 GLN HA 1 148 SER HA 4.400 . 4.400 3.863 3.343 4.394 . 0 0 "[ . 1 .]" 1
1043 1 113 GLN QB 1 114 LEU H 4.400 . 4.800 3.817 3.690 3.902 . 0 0 "[ . 1 .]" 1
1044 1 113 GLN QE 1 115 GLN QG 3.900 . 4.900 3.412 2.404 4.498 . 0 0 "[ . 1 .]" 1
1045 1 113 GLN QG 1 114 LEU H 4.200 . 4.200 3.032 2.699 3.616 . 0 0 "[ . 1 .]" 1
1046 1 113 GLN QG 1 114 LEU HA 5.200 . 5.200 4.005 3.805 4.259 . 0 0 "[ . 1 .]" 1
1047 1 113 GLN QG 1 114 LEU QB 5.000 . 6.000 4.476 4.261 4.924 . 0 0 "[ . 1 .]" 1
1048 1 113 GLN QG 1 115 GLN H 5.300 . 5.300 4.015 3.576 4.658 . 0 0 "[ . 1 .]" 1
1049 1 113 GLN QG 1 145 LEU QD 5.200 . 7.600 5.091 4.410 6.074 . 0 0 "[ . 1 .]" 1
1050 1 113 GLN QG 1 148 SER HA 4.200 . 4.200 3.174 2.354 4.648 0.448 3 0 "[ . 1 .]" 1
1051 1 113 GLN QG 1 149 SER H 4.700 . 4.700 3.944 3.338 4.964 0.264 3 0 "[ . 1 .]" 1
1052 1 114 LEU H 1 114 LEU QB 3.600 . 4.600 2.320 2.241 2.430 . 0 0 "[ . 1 .]" 1
1053 1 114 LEU H 1 114 LEU QD 4.100 . 6.500 3.428 2.540 3.831 . 0 0 "[ . 1 .]" 1
1054 1 114 LEU H 1 115 GLN H 4.800 . 4.800 4.312 4.211 4.517 . 0 0 "[ . 1 .]" 1
1055 1 114 LEU H 1 145 LEU QD 3.900 . 6.300 3.261 2.574 4.107 . 0 0 "[ . 1 .]" 1
1056 1 114 LEU H 1 148 SER HA 3.700 . 3.700 2.682 2.333 3.088 . 0 0 "[ . 1 .]" 1
1057 1 114 LEU H 1 148 SER QB 4.600 . 5.600 4.077 3.228 4.614 . 0 0 "[ . 1 .]" 1
1058 1 114 LEU HA 1 114 LEU MD1 4.200 . 5.200 2.738 1.973 3.852 . 0 0 "[ . 1 .]" 1
1059 1 114 LEU HA 1 114 LEU QD 3.300 . 5.700 1.993 1.905 2.103 . 0 0 "[ . 1 .]" 1
1060 1 114 LEU HA 1 114 LEU MD2 4.200 . 5.200 2.602 1.961 3.898 . 0 0 "[ . 1 .]" 1
1061 1 114 LEU HA 1 114 LEU HG 4.200 . 4.200 3.383 2.910 3.774 . 0 0 "[ . 1 .]" 1
1062 1 114 LEU HA 1 115 GLN H 2.700 . 2.700 2.140 2.088 2.178 . 0 0 "[ . 1 .]" 1
1063 1 114 LEU HA 1 148 SER HA 5.000 . 5.000 4.735 4.396 5.159 0.159 12 0 "[ . 1 .]" 1
1064 1 114 LEU HA 1 149 SER H 5.400 . 5.400 5.137 4.754 5.460 0.060 13 0 "[ . 1 .]" 1
1065 1 114 LEU QB 1 115 GLN H 3.900 . 4.900 3.595 2.912 3.957 . 0 0 "[ . 1 .]" 1
1066 1 114 LEU QB 1 115 GLN HA 4.400 . 5.400 4.374 3.895 4.687 . 0 0 "[ . 1 .]" 1
1067 1 114 LEU QB 1 145 LEU QD 3.500 . 6.900 2.580 1.856 3.394 . 0 0 "[ . 1 .]" 1
1068 1 114 LEU QB 1 148 SER HA 4.200 . 5.200 3.254 2.633 3.884 . 0 0 "[ . 1 .]" 1
1069 1 114 LEU QB 1 148 SER QB 4.300 . 6.300 3.315 2.430 4.085 . 0 0 "[ . 1 .]" 1
1070 1 114 LEU QB 1 149 SER H 5.200 . 5.700 3.995 3.743 4.506 . 0 0 "[ . 1 .]" 1
1071 1 114 LEU QD 1 115 GLN H 3.700 . 6.100 2.928 2.494 3.629 . 0 0 "[ . 1 .]" 1
1072 1 114 LEU QD 1 116 MET H 5.000 . 7.400 5.077 3.437 6.127 . 0 0 "[ . 1 .]" 1
1073 1 114 LEU QD 1 116 MET ME 2.400 . 5.800 2.454 1.892 3.723 . 0 0 "[ . 1 .]" 1
1074 1 114 LEU QD 1 116 MET QG 3.800 . 6.200 3.104 1.819 4.098 . 0 0 "[ . 1 .]" 1
1075 1 114 LEU QD 1 148 SER QB 5.000 . 8.400 4.118 2.988 5.225 . 0 0 "[ . 1 .]" 1
1076 1 114 LEU HG 1 116 MET ME 3.800 . 4.800 3.580 2.276 4.933 0.133 6 0 "[ . 1 .]" 1
1077 1 115 GLN H 1 115 GLN QB 3.300 . 4.300 2.531 2.382 2.763 . 0 0 "[ . 1 .]" 1
1078 1 115 GLN H 1 115 GLN HG2 4.500 . 4.500 3.935 3.500 4.764 0.264 8 0 "[ . 1 .]" 1
1079 1 115 GLN H 1 115 GLN QG 3.700 . 4.700 2.786 2.296 3.643 . 0 0 "[ . 1 .]" 1
1080 1 115 GLN H 1 115 GLN HG3 4.500 . 4.500 2.854 2.328 3.781 . 0 0 "[ . 1 .]" 1
1081 1 115 GLN H 1 116 MET ME 3.700 . 4.700 4.917 3.397 5.892 1.192 10 7 "[ *** -+* *.]" 1
1082 1 115 GLN HA 1 115 GLN QG 3.700 . 4.700 2.453 2.336 2.601 . 0 0 "[ . 1 .]" 1
1083 1 115 GLN HA 1 116 MET H 3.300 . 3.300 2.215 2.151 2.329 . 0 0 "[ . 1 .]" 1
1084 1 115 GLN HA 1 116 MET ME 4.200 . 5.200 4.540 3.466 5.257 0.057 5 0 "[ . 1 .]" 1
1085 1 115 GLN HA 1 149 SER H 3.200 . 3.200 2.767 2.416 3.302 0.102 12 0 "[ . 1 .]" 1
1086 1 115 GLN QB 1 116 MET HA 5.000 . 6.000 4.069 3.947 4.153 . 0 0 "[ . 1 .]" 1
1087 1 115 GLN QG 1 116 MET H 4.800 . 5.800 4.074 3.873 4.338 . 0 0 "[ . 1 .]" 1
1088 1 115 GLN HG2 1 149 SER H 4.500 . 4.500 3.799 2.596 4.700 0.200 8 0 "[ . 1 .]" 1
1089 1 115 GLN HG3 1 149 SER H 4.500 . 4.500 4.344 3.135 5.243 0.743 2 2 "[ + .- 1 .]" 1
1090 1 116 MET H 1 116 MET ME 3.600 . 4.600 4.254 3.073 5.008 0.408 7 0 "[ . 1 .]" 1
1091 1 116 MET H 1 116 MET QG 3.700 . 4.500 3.400 2.839 4.002 . 0 0 "[ . 1 .]" 1
1092 1 116 MET H 1 117 VAL MG2 5.000 . 6.000 4.195 3.900 4.547 . 0 0 "[ . 1 .]" 1
1093 1 116 MET H 1 149 SER H 4.700 . 4.700 4.170 3.666 5.136 0.436 12 0 "[ . 1 .]" 1
1094 1 116 MET H 1 149 SER QB 5.100 . 6.100 3.823 3.049 5.262 . 0 0 "[ . 1 .]" 1
1095 1 116 MET H 1 150 ILE HA 3.800 . 3.800 2.736 2.212 3.411 . 0 0 "[ . 1 .]" 1
1096 1 116 MET H 1 150 ILE MD 5.200 . 6.200 5.242 4.280 6.189 . 0 0 "[ . 1 .]" 1
1097 1 116 MET H 1 150 ILE HG12 4.900 . 4.900 4.019 2.807 5.265 0.365 8 0 "[ . 1 .]" 1
1098 1 116 MET H 1 150 ILE QG 4.900 . 5.200 3.709 2.765 4.622 . 0 0 "[ . 1 .]" 1
1099 1 116 MET H 1 150 ILE MG 5.300 . 6.300 4.256 2.941 5.314 . 0 0 "[ . 1 .]" 1
1100 1 116 MET H 1 151 SER H 4.100 . 4.100 3.626 2.713 4.124 0.024 6 0 "[ . 1 .]" 1
1101 1 116 MET HA 1 116 MET ME 4.300 . 5.300 4.441 4.148 4.707 . 0 0 "[ . 1 .]" 1
1102 1 116 MET HA 1 116 MET QG 4.000 . 4.000 2.401 2.306 2.515 . 0 0 "[ . 1 .]" 1
1103 1 116 MET HA 1 117 VAL H 3.400 . 3.400 2.169 2.029 2.282 . 0 0 "[ . 1 .]" 1
1104 1 116 MET HA 1 117 VAL HB 4.800 . 4.800 4.597 4.249 4.776 . 0 0 "[ . 1 .]" 1
1105 1 116 MET HA 1 117 VAL MG2 4.200 . 5.200 3.623 3.345 3.901 . 0 0 "[ . 1 .]" 1
1106 1 116 MET HA 1 150 ILE HA 5.200 . 5.200 4.789 4.483 5.041 . 0 0 "[ . 1 .]" 1
1107 1 116 MET QB 1 116 MET ME 4.000 . 6.000 2.669 2.005 3.666 . 0 0 "[ . 1 .]" 1
1108 1 116 MET QB 1 117 VAL H 3.300 . 4.300 3.019 2.701 3.488 . 0 0 "[ . 1 .]" 1
1109 1 116 MET QB 1 150 ILE HA 4.400 . 5.400 2.931 2.503 3.904 . 0 0 "[ . 1 .]" 1
1110 1 116 MET QB 1 150 ILE HG12 4.800 . 5.800 2.605 2.124 3.504 . 0 0 "[ . 1 .]" 1
1111 1 116 MET QB 1 150 ILE QG 4.800 . 6.200 2.488 2.109 2.977 . 0 0 "[ . 1 .]" 1
1112 1 116 MET QB 1 151 SER H 5.200 . 6.200 4.010 3.499 4.509 . 0 0 "[ . 1 .]" 1
1113 1 116 MET ME 1 131 LEU QD 4.100 . 7.500 2.354 1.932 3.085 . 0 0 "[ . 1 .]" 1
1114 1 116 MET ME 1 148 SER HA 4.700 . 5.700 5.255 4.410 5.848 0.148 10 0 "[ . 1 .]" 1
1115 1 116 MET ME 1 148 SER QB 4.600 . 6.600 4.160 3.259 5.299 . 0 0 "[ . 1 .]" 1
1116 1 116 MET ME 1 149 SER H 3.800 . 4.800 4.630 3.312 5.671 0.871 7 2 "[ . + 1 - .]" 1
1117 1 116 MET ME 1 150 ILE HA 4.700 . 5.700 4.543 2.977 6.150 0.450 7 0 "[ . 1 .]" 1
1118 1 116 MET ME 1 150 ILE QG 4.300 . 6.300 2.860 1.905 4.617 . 0 0 "[ . 1 .]" 1
1119 1 116 MET ME 1 150 ILE MG 4.400 . 6.400 4.107 2.962 5.632 . 0 0 "[ . 1 .]" 1
1120 1 116 MET QG 1 117 VAL H 5.400 . 5.400 3.934 3.517 4.357 . 0 0 "[ . 1 .]" 1
1121 1 117 VAL H 1 117 VAL HB 3.500 . 3.500 2.609 2.509 2.773 . 0 0 "[ . 1 .]" 1
1122 1 117 VAL H 1 117 VAL MG1 4.000 . 5.000 3.826 3.676 3.883 . 0 0 "[ . 1 .]" 1
1123 1 117 VAL H 1 117 VAL MG2 3.600 . 4.600 2.663 2.387 3.172 . 0 0 "[ . 1 .]" 1
1124 1 117 VAL HA 1 117 VAL MG1 3.400 . 4.400 2.418 2.352 2.612 . 0 0 "[ . 1 .]" 1
1125 1 117 VAL HA 1 118 SER H 2.500 . 2.500 2.117 2.045 2.214 . 0 0 "[ . 1 .]" 1
1126 1 117 VAL HA 1 150 ILE MG 4.700 . 5.700 4.204 3.650 4.922 . 0 0 "[ . 1 .]" 1
1127 1 117 VAL HA 1 152 SER H 4.700 . 4.700 5.156 4.942 5.554 0.854 5 4 "[ *+ *- .]" 1
1128 1 117 VAL MG1 1 118 SER H 3.700 . 4.700 2.957 2.741 3.232 . 0 0 "[ . 1 .]" 1
1129 1 117 VAL MG1 1 151 SER QB 4.100 . 6.100 3.551 2.777 4.627 . 0 0 "[ . 1 .]" 1
1130 1 117 VAL MG1 1 152 SER HA 4.100 . 5.100 3.698 2.989 5.088 . 0 0 "[ . 1 .]" 1
1131 1 117 VAL MG1 1 152 SER QB 5.300 . 7.300 4.800 4.255 6.086 . 0 0 "[ . 1 .]" 1
1132 1 117 VAL MG1 1 153 GLU H 4.300 . 5.300 3.223 1.650 4.276 0.150 9 0 "[ . 1 .]" 1
1133 1 117 VAL MG1 1 153 GLU HA 3.500 . 4.500 2.490 1.890 3.279 . 0 0 "[ . 1 .]" 1
1134 1 117 VAL MG1 1 153 GLU QG 4.400 . 6.400 4.169 1.978 5.006 . 0 0 "[ . 1 .]" 1
1135 1 117 VAL MG1 1 154 SER HA 4.700 . 5.700 5.164 4.400 5.858 0.158 10 0 "[ . 1 .]" 1
1136 1 117 VAL MG1 1 154 SER QB 5.000 . 7.000 5.702 3.722 6.476 . 0 0 "[ . 1 .]" 1
1137 1 117 VAL MG2 1 118 SER H 4.500 . 5.500 4.069 3.739 4.285 . 0 0 "[ . 1 .]" 1
1138 1 117 VAL MG2 1 151 SER H 3.700 . 4.700 3.827 3.186 4.453 . 0 0 "[ . 1 .]" 1
1139 1 117 VAL MG2 1 151 SER HA 5.000 . 6.000 5.271 4.694 5.896 . 0 0 "[ . 1 .]" 1
1140 1 117 VAL MG2 1 151 SER QB 4.400 . 5.700 2.850 2.002 4.208 . 0 0 "[ . 1 .]" 1
1141 1 117 VAL MG2 1 152 SER HA 4.800 . 5.800 5.302 4.466 6.023 0.223 5 0 "[ . 1 .]" 1
1142 1 117 VAL MG2 1 154 SER H 4.700 . 5.700 5.430 4.048 5.967 0.267 14 0 "[ . 1 .]" 1
1143 1 117 VAL MG2 1 154 SER HA 4.100 . 5.100 5.042 4.304 5.562 0.462 10 0 "[ . 1 .]" 1
1144 1 117 VAL MG2 1 154 SER QB 4.100 . 6.100 5.985 4.764 6.408 0.308 1 0 "[ . 1 .]" 1
1145 1 118 SER H 1 150 ILE HA 5.500 . 5.500 5.073 4.439 5.791 0.291 6 0 "[ . 1 .]" 1
1146 1 118 SER H 1 150 ILE MG 3.600 . 4.600 3.715 2.680 4.797 0.197 6 0 "[ . 1 .]" 1
1147 1 118 SER H 1 151 SER H 5.100 . 5.100 3.693 3.096 4.228 . 0 0 "[ . 1 .]" 1
1148 1 118 SER H 1 151 SER HA 5.500 . 5.500 4.864 4.442 5.492 . 0 0 "[ . 1 .]" 1
1149 1 118 SER H 1 152 SER HA 4.500 . 4.500 2.818 2.447 3.658 . 0 0 "[ . 1 .]" 1
1150 1 118 SER QB 1 119 PRO QD 3.200 . 5.200 2.443 1.966 2.909 . 0 0 "[ . 1 .]" 1
1151 1 118 SER QB 1 119 PRO QG 5.200 . 7.200 4.109 3.124 4.661 . 0 0 "[ . 1 .]" 1
1152 1 118 SER QB 1 123 VAL QG 3.600 . 7.000 4.036 2.816 5.277 . 0 0 "[ . 1 .]" 1
1153 1 119 PRO QB 1 120 HIS H 4.300 . 5.300 2.576 2.327 2.993 . 0 0 "[ . 1 .]" 1
1154 1 119 PRO QB 1 120 HIS HA 4.600 . 5.600 4.310 4.169 4.373 . 0 0 "[ . 1 .]" 1
1155 1 119 PRO QB 1 123 VAL QG 4.300 . 7.700 5.161 3.633 6.448 . 0 0 "[ . 1 .]" 1
1156 1 119 PRO QD 1 123 VAL QG 4.500 . 7.900 4.767 3.519 6.182 . 0 0 "[ . 1 .]" 1
1157 1 119 PRO QG 1 120 HIS H 4.300 . 5.300 4.295 3.983 4.550 . 0 0 "[ . 1 .]" 1
1158 1 119 PRO QG 1 123 VAL QG 3.300 . 6.700 5.189 2.682 6.558 . 0 0 "[ . 1 .]" 1
1159 1 119 PRO HG2 1 120 HIS H 5.100 . 5.100 4.876 4.214 5.450 0.350 3 0 "[ . 1 .]" 1
1160 1 119 PRO HG3 1 120 HIS H 5.100 . 5.100 4.848 4.643 5.142 0.042 5 0 "[ . 1 .]" 1
1161 1 120 HIS H 1 120 HIS QB 3.900 . 4.100 2.614 2.294 3.091 . 0 0 "[ . 1 .]" 1
1162 1 120 HIS H 1 123 VAL QG 5.000 . 7.400 6.484 4.852 7.540 0.140 4 0 "[ . 1 .]" 1
1163 1 122 HIS HA 1 122 HIS HD2 4.700 . 4.700 3.833 2.549 4.770 0.070 4 0 "[ . 1 .]" 1
1164 1 122 HIS HA 1 125 ALA H 4.300 . 4.300 3.250 3.000 3.607 . 0 0 "[ . 1 .]" 1
1165 1 122 HIS HA 1 125 ALA MB 3.400 . 4.400 3.014 2.430 3.772 . 0 0 "[ . 1 .]" 1
1166 1 122 HIS QB 1 123 VAL H 3.900 . 4.900 3.219 2.787 3.863 . 0 0 "[ . 1 .]" 1
1167 1 122 HIS QB 1 125 ALA MB 4.400 . 6.400 3.857 3.144 4.390 . 0 0 "[ . 1 .]" 1
1168 1 122 HIS HE1 1 125 ALA MB 4.800 . 5.800 5.087 3.564 5.742 . 0 0 "[ . 1 .]" 1
1169 1 123 VAL H 1 123 VAL HB 3.800 . 3.800 2.993 2.444 3.658 . 0 0 "[ . 1 .]" 1
1170 1 123 VAL H 1 123 VAL MG1 3.800 . 4.800 3.143 2.132 3.774 . 0 0 "[ . 1 .]" 1
1171 1 123 VAL H 1 123 VAL MG2 3.800 . 4.800 1.987 1.848 2.154 . 0 0 "[ . 1 .]" 1
1172 1 123 VAL H 1 124 ARG H 3.100 . 3.100 2.581 2.477 2.712 . 0 0 "[ . 1 .]" 1
1173 1 123 VAL H 1 124 ARG QB 5.500 . 6.500 4.351 4.185 4.489 . 0 0 "[ . 1 .]" 1
1174 1 123 VAL H 1 125 ALA H 4.600 . 4.600 4.184 3.981 4.461 . 0 0 "[ . 1 .]" 1
1175 1 123 VAL H 1 126 ALA H 5.500 . 5.500 5.088 4.706 5.434 . 0 0 "[ . 1 .]" 1
1176 1 123 VAL HA 1 123 VAL MG1 3.500 . 4.500 2.367 2.297 2.417 . 0 0 "[ . 1 .]" 1
1177 1 123 VAL HA 1 123 VAL MG2 3.500 . 4.500 2.745 2.389 3.221 . 0 0 "[ . 1 .]" 1
1178 1 123 VAL HA 1 126 ALA H 4.100 . 4.100 3.430 3.197 3.875 . 0 0 "[ . 1 .]" 1
1179 1 123 VAL HA 1 126 ALA MB 3.900 . 4.900 2.969 2.298 3.646 . 0 0 "[ . 1 .]" 1
1180 1 123 VAL HA 1 127 LEU H 4.800 . 4.800 4.306 3.942 4.713 . 0 0 "[ . 1 .]" 1
1181 1 123 VAL HB 1 124 ARG H 4.200 . 4.200 3.218 2.501 4.072 . 0 0 "[ . 1 .]" 1
1182 1 123 VAL HB 1 124 ARG HA 4.400 . 4.400 4.328 4.119 4.695 0.295 6 0 "[ . 1 .]" 1
1183 1 123 VAL QG 1 124 ARG H 3.100 . 5.500 2.940 2.270 3.409 . 0 0 "[ . 1 .]" 1
1184 1 123 VAL QG 1 124 ARG HA 3.800 . 6.200 3.464 3.171 3.893 . 0 0 "[ . 1 .]" 1
1185 1 123 VAL QG 1 124 ARG QB 3.900 . 7.300 3.800 3.036 4.463 . 0 0 "[ . 1 .]" 1
1186 1 123 VAL QG 1 125 ALA H 4.500 . 6.900 4.421 4.118 4.639 . 0 0 "[ . 1 .]" 1
1187 1 123 VAL QG 1 126 ALA H 5.200 . 7.600 4.399 3.898 4.796 . 0 0 "[ . 1 .]" 1
1188 1 123 VAL MG1 1 124 ARG H 4.000 . 5.000 3.792 3.372 4.095 . 0 0 "[ . 1 .]" 1
1189 1 123 VAL MG2 1 124 ARG H 4.000 . 5.000 3.236 2.284 3.860 . 0 0 "[ . 1 .]" 1
1190 1 124 ARG H 1 124 ARG QB 3.700 . 4.100 2.267 2.202 2.347 . 0 0 "[ . 1 .]" 1
1191 1 124 ARG H 1 125 ALA H 3.500 . 3.500 2.568 2.336 2.738 . 0 0 "[ . 1 .]" 1
1192 1 124 ARG H 1 125 ALA MB 4.500 . 5.500 4.220 3.922 4.370 . 0 0 "[ . 1 .]" 1
1193 1 124 ARG HA 1 127 LEU H 4.200 . 4.200 3.291 3.085 3.649 . 0 0 "[ . 1 .]" 1
1194 1 124 ARG HA 1 127 LEU QB 5.000 . 6.000 2.441 2.065 3.026 . 0 0 "[ . 1 .]" 1
1195 1 124 ARG HA 1 127 LEU QD 4.100 . 6.500 3.185 2.241 4.565 . 0 0 "[ . 1 .]" 1
1196 1 124 ARG QB 1 125 ALA H 2.900 . 3.900 2.695 2.512 2.924 . 0 0 "[ . 1 .]" 1
1197 1 124 ARG QB 1 125 ALA MB 4.200 . 6.200 3.982 3.744 4.191 . 0 0 "[ . 1 .]" 1
1198 1 124 ARG QB 1 126 ALA H 5.100 . 6.100 4.883 4.647 5.221 . 0 0 "[ . 1 .]" 1
1199 1 124 ARG QB 1 150 ILE MG 4.200 . 6.200 3.831 2.992 4.896 . 0 0 "[ . 1 .]" 1
1200 1 125 ALA H 1 125 ALA MB 3.000 . 4.000 2.221 2.154 2.248 . 0 0 "[ . 1 .]" 1
1201 1 125 ALA H 1 126 ALA H 3.300 . 3.300 2.685 2.525 2.962 . 0 0 "[ . 1 .]" 1
1202 1 125 ALA H 1 126 ALA MB 4.700 . 5.700 4.368 4.211 4.632 . 0 0 "[ . 1 .]" 1
1203 1 125 ALA H 1 127 LEU QB 5.500 . 6.500 4.768 4.393 5.255 . 0 0 "[ . 1 .]" 1
1204 1 125 ALA HA 1 126 ALA HA 4.700 . 4.700 4.745 4.698 4.781 0.081 9 0 "[ . 1 .]" 1
1205 1 125 ALA HA 1 128 GLU H 4.500 . 4.500 3.633 3.277 4.036 . 0 0 "[ . 1 .]" 1
1206 1 125 ALA MB 1 126 ALA H 3.200 . 4.200 2.435 2.166 2.702 . 0 0 "[ . 1 .]" 1
1207 1 125 ALA MB 1 126 ALA HA 4.100 . 5.100 3.841 3.798 3.932 . 0 0 "[ . 1 .]" 1
1208 1 125 ALA MB 1 126 ALA MB 3.800 . 5.800 3.637 3.430 3.834 . 0 0 "[ . 1 .]" 1
1209 1 125 ALA MB 1 127 LEU H 4.800 . 5.800 4.423 4.186 4.670 . 0 0 "[ . 1 .]" 1
1210 1 125 ALA MB 1 128 GLU H 5.500 . 6.500 4.723 4.500 4.912 . 0 0 "[ . 1 .]" 1
1211 1 126 ALA H 1 126 ALA MB 2.800 . 3.800 2.248 2.229 2.272 . 0 0 "[ . 1 .]" 1
1212 1 126 ALA H 1 127 LEU H 3.100 . 3.100 2.626 2.525 2.758 . 0 0 "[ . 1 .]" 1
1213 1 126 ALA H 1 127 LEU HA 5.200 . 5.200 5.238 5.163 5.334 0.134 10 0 "[ . 1 .]" 1
1214 1 126 ALA H 1 127 LEU QB 4.500 . 5.500 4.415 4.224 4.688 . 0 0 "[ . 1 .]" 1
1215 1 126 ALA HA 1 127 LEU HA 5.100 . 5.100 4.774 4.711 4.848 . 0 0 "[ . 1 .]" 1
1216 1 126 ALA HA 1 129 ALA H 3.500 . 3.500 3.423 3.193 3.742 0.242 8 0 "[ . 1 .]" 1
1217 1 126 ALA HA 1 129 ALA HA 5.200 . 5.200 5.231 4.938 5.524 0.324 8 0 "[ . 1 .]" 1
1218 1 126 ALA HA 1 129 ALA MB 3.500 . 4.500 2.406 2.161 2.650 . 0 0 "[ . 1 .]" 1
1219 1 126 ALA HA 1 130 ALA H 5.400 . 5.400 4.312 4.091 4.627 . 0 0 "[ . 1 .]" 1
1220 1 126 ALA HA 1 130 ALA MB 5.100 . 6.100 4.683 4.312 5.037 . 0 0 "[ . 1 .]" 1
1221 1 126 ALA MB 1 127 LEU H 3.200 . 4.200 2.654 2.456 2.797 . 0 0 "[ . 1 .]" 1
1222 1 126 ALA MB 1 127 LEU HA 4.000 . 5.000 3.884 3.812 3.927 . 0 0 "[ . 1 .]" 1
1223 1 126 ALA MB 1 127 LEU QB 4.500 . 6.500 4.099 3.795 4.388 . 0 0 "[ . 1 .]" 1
1224 1 126 ALA MB 1 128 GLU H 5.100 . 6.100 4.641 4.471 4.888 . 0 0 "[ . 1 .]" 1
1225 1 126 ALA MB 1 129 ALA H 4.800 . 5.800 4.635 4.480 4.787 . 0 0 "[ . 1 .]" 1
1226 1 126 ALA MB 1 129 ALA MB 4.200 . 6.200 3.696 3.422 3.942 . 0 0 "[ . 1 .]" 1
1227 1 127 LEU H 1 127 LEU MD1 4.300 . 5.300 3.773 2.167 4.306 . 0 0 "[ . 1 .]" 1
1228 1 127 LEU H 1 127 LEU QD 3.300 . 5.700 2.952 2.158 3.685 . 0 0 "[ . 1 .]" 1
1229 1 127 LEU H 1 127 LEU MD2 4.300 . 5.300 3.373 2.257 4.241 . 0 0 "[ . 1 .]" 1
1230 1 127 LEU H 1 128 GLU H 3.200 . 3.200 2.645 2.517 2.743 . 0 0 "[ . 1 .]" 1
1231 1 127 LEU H 1 129 ALA H 4.800 . 4.800 4.093 3.921 4.248 . 0 0 "[ . 1 .]" 1
1232 1 127 LEU H 1 129 ALA MB 4.500 . 5.500 4.644 4.421 4.876 . 0 0 "[ . 1 .]" 1
1233 1 127 LEU H 1 130 ALA MB 5.500 . 6.500 4.766 4.535 5.049 . 0 0 "[ . 1 .]" 1
1234 1 127 LEU HA 1 127 LEU MD1 3.700 . 4.700 2.525 1.865 3.880 . 0 0 "[ . 1 .]" 1
1235 1 127 LEU HA 1 127 LEU QD 3.000 . 5.400 2.046 1.847 2.689 . 0 0 "[ . 1 .]" 1
1236 1 127 LEU HA 1 127 LEU MD2 3.700 . 4.700 2.584 1.984 3.896 . 0 0 "[ . 1 .]" 1
1237 1 127 LEU HA 1 129 ALA H 4.700 . 4.700 4.572 4.340 4.760 0.060 4 0 "[ . 1 .]" 1
1238 1 127 LEU HA 1 129 ALA MB 5.300 . 6.300 4.919 4.742 5.233 . 0 0 "[ . 1 .]" 1
1239 1 127 LEU HA 1 130 ALA H 4.400 . 4.400 3.467 3.171 3.773 . 0 0 "[ . 1 .]" 1
1240 1 127 LEU HA 1 130 ALA MB 3.900 . 4.900 2.786 2.402 3.093 . 0 0 "[ . 1 .]" 1
1241 1 127 LEU QB 1 127 LEU MD1 3.500 . 5.500 2.304 2.090 2.453 . 0 0 "[ . 1 .]" 1
1242 1 127 LEU QB 1 127 LEU MD2 3.900 . 5.500 2.271 2.090 2.384 . 0 0 "[ . 1 .]" 1
1243 1 127 LEU QB 1 128 GLU H 4.200 . 5.200 2.482 2.225 2.724 . 0 0 "[ . 1 .]" 1
1244 1 127 LEU QB 1 129 ALA H 5.500 . 6.500 4.691 4.533 4.834 . 0 0 "[ . 1 .]" 1
1245 1 127 LEU QB 1 150 ILE MD 3.800 . 5.800 2.987 2.230 4.539 . 0 0 "[ . 1 .]" 1
1246 1 127 LEU QD 1 128 GLU H 4.600 . 7.000 3.688 3.055 4.063 . 0 0 "[ . 1 .]" 1
1247 1 127 LEU QD 1 130 ALA MB 4.100 . 7.500 3.241 2.772 4.451 . 0 0 "[ . 1 .]" 1
1248 1 127 LEU HG 1 128 GLU H 5.200 . 5.200 4.822 3.836 5.205 0.005 14 0 "[ . 1 .]" 1
1249 1 127 LEU HG 1 150 ILE MD 4.500 . 5.500 4.215 2.657 5.564 0.064 6 0 "[ . 1 .]" 1
1250 1 128 GLU H 1 128 GLU QB 3.000 . 4.000 2.297 2.199 2.505 . 0 0 "[ . 1 .]" 1
1251 1 128 GLU H 1 128 GLU HG2 4.600 . 4.600 4.152 3.211 4.520 . 0 0 "[ . 1 .]" 1
1252 1 128 GLU H 1 128 GLU QG 4.600 . 4.800 3.471 2.087 3.971 . 0 0 "[ . 1 .]" 1
1253 1 128 GLU H 1 129 ALA H 3.200 . 3.200 2.691 2.630 2.775 . 0 0 "[ . 1 .]" 1
1254 1 128 GLU H 1 129 ALA MB 5.400 . 6.400 4.284 4.175 4.358 . 0 0 "[ . 1 .]" 1
1255 1 128 GLU H 1 130 ALA H 4.300 . 4.300 3.962 3.800 4.110 . 0 0 "[ . 1 .]" 1
1256 1 128 GLU H 1 131 LEU QD 5.400 . 7.800 4.433 4.194 4.743 . 0 0 "[ . 1 .]" 1
1257 1 128 GLU H 1 150 ILE MD 3.800 . 4.800 3.650 2.998 5.012 0.212 6 0 "[ . 1 .]" 1
1258 1 128 GLU H 1 150 ILE QG 5.300 . 6.300 5.637 4.381 6.598 0.298 6 0 "[ . 1 .]" 1
1259 1 128 GLU HA 1 128 GLU HG2 3.900 . 3.900 2.985 2.514 3.252 . 0 0 "[ . 1 .]" 1
1260 1 128 GLU HA 1 129 ALA MB 5.500 . 6.500 5.016 4.993 5.053 . 0 0 "[ . 1 .]" 1
1261 1 128 GLU HA 1 130 ALA H 3.700 . 3.700 3.990 3.752 4.288 0.588 6 1 "[ .+ 1 .]" 1
1262 1 128 GLU HA 1 131 LEU MD1 4.000 . 5.000 2.413 2.133 2.768 . 0 0 "[ . 1 .]" 1
1263 1 128 GLU HA 1 131 LEU QD 3.300 . 5.700 2.379 2.116 2.692 . 0 0 "[ . 1 .]" 1
1264 1 128 GLU HA 1 131 LEU MD2 4.000 . 5.000 3.669 3.427 3.985 . 0 0 "[ . 1 .]" 1
1265 1 128 GLU HA 1 131 LEU HG 4.000 . 4.000 2.295 2.036 2.612 . 0 0 "[ . 1 .]" 1
1266 1 128 GLU HA 1 150 ILE MD 3.200 . 4.200 2.987 2.190 4.483 0.283 6 0 "[ . 1 .]" 1
1267 1 128 GLU QB 1 129 ALA H 3.400 . 4.400 2.472 2.364 2.569 . 0 0 "[ . 1 .]" 1
1268 1 128 GLU QB 1 129 ALA MB 4.400 . 6.400 3.830 3.672 3.925 . 0 0 "[ . 1 .]" 1
1269 1 128 GLU QB 1 150 ILE MD 4.000 . 6.000 3.027 2.184 4.447 . 0 0 "[ . 1 .]" 1
1270 1 128 GLU QG 1 129 ALA H 5.000 . 5.200 3.701 3.402 4.043 . 0 0 "[ . 1 .]" 1
1271 1 128 GLU QG 1 131 LEU MD1 6.600 . 8.600 2.693 2.131 3.551 . 0 0 "[ . 1 .]" 1
1272 1 128 GLU QG 1 131 LEU QD 4.200 . 7.600 2.672 2.127 3.493 . 0 0 "[ . 1 .]" 1
1273 1 128 GLU QG 1 131 LEU MD2 6.600 . 8.600 4.754 4.409 5.182 . 0 0 "[ . 1 .]" 1
1274 1 128 GLU QG 1 150 ILE MD 3.500 . 5.500 3.006 1.955 4.313 . 0 0 "[ . 1 .]" 1
1275 1 128 GLU HG2 1 129 ALA H 5.000 . 5.000 4.055 3.516 4.966 . 0 0 "[ . 1 .]" 1
1276 1 128 GLU HG2 1 131 LEU MD1 6.600 . 7.600 3.440 2.937 3.889 . 0 0 "[ . 1 .]" 1
1277 1 128 GLU HG2 1 131 LEU MD2 6.600 . 7.600 5.589 4.862 6.101 . 0 0 "[ . 1 .]" 1
1278 1 129 ALA H 1 129 ALA MB 2.700 . 3.700 2.196 2.158 2.228 . 0 0 "[ . 1 .]" 1
1279 1 129 ALA H 1 130 ALA H 2.900 . 2.900 2.753 2.581 2.888 . 0 0 "[ . 1 .]" 1
1280 1 129 ALA H 1 130 ALA MB 4.200 . 5.200 4.420 4.278 4.551 . 0 0 "[ . 1 .]" 1
1281 1 129 ALA H 1 131 LEU H 4.600 . 4.600 4.206 4.084 4.332 . 0 0 "[ . 1 .]" 1
1282 1 129 ALA H 1 150 ILE MD 5.500 . 6.500 5.440 4.721 6.822 0.322 6 0 "[ . 1 .]" 1
1283 1 129 ALA HA 1 130 ALA HA 4.500 . 4.500 4.690 4.670 4.711 0.211 14 0 "[ . 1 .]" 1
1284 1 129 ALA MB 1 130 ALA H 3.400 . 4.400 2.857 2.641 3.023 . 0 0 "[ . 1 .]" 1
1285 1 129 ALA MB 1 131 LEU H 4.800 . 5.800 4.387 4.336 4.496 . 0 0 "[ . 1 .]" 1
1286 1 130 ALA H 1 130 ALA MB 2.700 . 3.700 2.245 2.226 2.258 . 0 0 "[ . 1 .]" 1
1287 1 130 ALA H 1 131 LEU H 2.900 . 2.900 2.520 2.445 2.622 . 0 0 "[ . 1 .]" 1
1288 1 130 ALA H 1 131 LEU QB 4.800 . 5.800 4.687 4.592 4.822 . 0 0 "[ . 1 .]" 1
1289 1 130 ALA H 1 131 LEU QD 5.100 . 7.500 4.338 4.184 4.506 . 0 0 "[ . 1 .]" 1
1290 1 130 ALA H 1 131 LEU HG 5.400 . 5.400 3.890 3.623 4.116 . 0 0 "[ . 1 .]" 1
1291 1 130 ALA HA 1 131 LEU HA 5.400 . 5.400 4.785 4.703 4.846 . 0 0 "[ . 1 .]" 1
1292 1 130 ALA HA 1 132 PRO QD 5.300 . 6.300 3.652 3.474 3.833 . 0 0 "[ . 1 .]" 1
1293 1 130 ALA HA 1 133 MET H 4.800 . 4.800 3.625 3.435 4.159 . 0 0 "[ . 1 .]" 1
1294 1 130 ALA HA 1 133 MET QB 3.800 . 4.800 2.940 2.537 3.372 . 0 0 "[ . 1 .]" 1
1295 1 130 ALA HA 1 133 MET ME 4.100 . 5.100 3.265 2.607 4.839 . 0 0 "[ . 1 .]" 1
1296 1 130 ALA HA 1 134 LEU H 4.100 . 4.100 4.288 4.027 4.531 0.431 13 0 "[ . 1 .]" 1
1297 1 130 ALA MB 1 131 LEU H 3.700 . 4.700 3.098 2.976 3.194 . 0 0 "[ . 1 .]" 1
1298 1 130 ALA MB 1 131 LEU HA 4.400 . 5.400 3.885 3.827 3.948 . 0 0 "[ . 1 .]" 1
1299 1 130 ALA MB 1 131 LEU QD 5.000 . 8.400 3.593 3.381 3.905 . 0 0 "[ . 1 .]" 1
1300 1 130 ALA MB 1 133 MET QB 4.400 . 6.400 3.652 3.121 4.087 . 0 0 "[ . 1 .]" 1
1301 1 130 ALA MB 1 134 LEU QB 4.900 . 6.900 3.637 3.254 3.934 . 0 0 "[ . 1 .]" 1
1302 1 130 ALA MB 1 134 LEU MD1 5.400 . 7.400 4.704 4.145 5.302 . 0 0 "[ . 1 .]" 1
1303 1 130 ALA MB 1 134 LEU QD 4.500 . 7.900 3.910 3.455 4.330 . 0 0 "[ . 1 .]" 1
1304 1 130 ALA MB 1 134 LEU MD2 5.400 . 7.400 4.193 3.697 4.704 . 0 0 "[ . 1 .]" 1
1305 1 131 LEU H 1 131 LEU QB 3.600 . 3.600 2.485 2.420 2.593 . 0 0 "[ . 1 .]" 1
1306 1 131 LEU H 1 131 LEU MD1 4.100 . 5.100 3.671 3.548 3.753 . 0 0 "[ . 1 .]" 1
1307 1 131 LEU H 1 131 LEU QD 3.600 . 6.000 3.074 2.955 3.168 . 0 0 "[ . 1 .]" 1
1308 1 131 LEU H 1 131 LEU MD2 4.100 . 5.100 3.302 3.118 3.483 . 0 0 "[ . 1 .]" 1
1309 1 131 LEU H 1 132 PRO QD 3.100 . 4.100 2.275 1.951 2.560 . 0 0 "[ . 1 .]" 1
1310 1 131 LEU H 1 132 PRO QG 4.500 . 5.500 4.196 3.834 4.510 . 0 0 "[ . 1 .]" 1
1311 1 131 LEU HA 1 131 LEU QD 3.500 . 5.900 2.026 1.983 2.083 . 0 0 "[ . 1 .]" 1
1312 1 131 LEU HA 1 131 LEU HG 3.600 . 3.600 3.111 2.981 3.193 . 0 0 "[ . 1 .]" 1
1313 1 131 LEU HA 1 134 LEU QB 4.200 . 5.200 2.477 2.160 2.851 . 0 0 "[ . 1 .]" 1
1314 1 131 LEU HA 1 134 LEU QD 4.600 . 7.000 3.231 2.930 3.660 . 0 0 "[ . 1 .]" 1
1315 1 131 LEU HA 1 145 LEU QD 4.100 . 6.500 3.603 2.841 4.495 . 0 0 "[ . 1 .]" 1
1316 1 131 LEU QB 1 132 PRO QD 4.100 . 5.400 1.890 1.778 2.086 0.022 5 0 "[ . 1 .]" 1
1317 1 131 LEU QD 1 132 PRO QB 5.400 . 8.800 5.498 5.330 5.586 . 0 0 "[ . 1 .]" 1
1318 1 131 LEU QD 1 148 SER QB 3.600 . 7.000 2.390 1.829 3.583 . 0 0 "[ . 1 .]" 1
1319 1 131 LEU MD1 1 148 SER QB 4.400 . 6.400 2.500 1.864 3.721 . 0 0 "[ . 1 .]" 1
1320 1 131 LEU MD2 1 148 SER QB 4.400 . 6.400 3.287 2.385 4.672 . 0 0 "[ . 1 .]" 1
1321 1 132 PRO HA 1 135 ARG H 4.300 . 4.300 3.805 3.647 4.177 . 0 0 "[ . 1 .]" 1
1322 1 132 PRO QB 1 133 MET H 4.500 . 5.500 2.905 1.813 3.338 . 0 0 "[ . 1 .]" 1
1323 1 133 MET H 1 133 MET QB 3.200 . 4.200 2.286 2.184 2.331 . 0 0 "[ . 1 .]" 1
1324 1 133 MET H 1 133 MET ME 3.300 . 4.300 4.183 3.995 4.624 0.324 10 0 "[ . 1 .]" 1
1325 1 133 MET H 1 133 MET QG 4.400 . 5.400 3.992 3.830 4.083 . 0 0 "[ . 1 .]" 1
1326 1 133 MET H 1 134 LEU H 3.100 . 3.100 2.337 2.175 2.974 . 0 0 "[ . 1 .]" 1
1327 1 133 MET H 1 135 ARG H 4.300 . 4.300 3.999 3.831 4.872 0.572 11 1 "[ . 1+ .]" 1
1328 1 133 MET HA 1 133 MET ME 3.800 . 4.800 4.303 3.686 4.419 . 0 0 "[ . 1 .]" 1
1329 1 133 MET HA 1 133 MET QG 3.600 . 4.600 2.444 2.390 2.509 . 0 0 "[ . 1 .]" 1
1330 1 133 MET HA 1 134 LEU HA 5.200 . 5.200 4.791 4.710 4.864 . 0 0 "[ . 1 .]" 1
1331 1 133 MET HA 1 135 ARG H 4.800 . 4.800 4.558 4.362 5.017 0.217 11 0 "[ . 1 .]" 1
1332 1 133 MET HA 1 136 THR H 4.600 . 4.600 3.741 3.514 4.086 . 0 0 "[ . 1 .]" 1
1333 1 133 MET HA 1 136 THR HB 4.400 . 4.400 3.591 2.672 4.474 0.074 12 0 "[ . 1 .]" 1
1334 1 133 MET QB 1 133 MET ME 3.300 . 5.300 1.993 1.929 2.071 . 0 0 "[ . 1 .]" 1
1335 1 133 MET QB 1 134 LEU H 3.700 . 4.100 2.571 2.370 2.727 . 0 0 "[ . 1 .]" 1
1336 1 133 MET ME 1 133 MET HG2 3.600 . 4.600 2.628 2.413 3.412 . 0 0 "[ . 1 .]" 1
1337 1 133 MET ME 1 134 LEU H 4.200 . 5.200 3.595 2.763 3.981 . 0 0 "[ . 1 .]" 1
1338 1 133 MET QG 1 134 LEU H 5.500 . 5.700 3.912 3.592 4.536 . 0 0 "[ . 1 .]" 1
1339 1 133 MET HG2 1 134 LEU H 5.500 . 5.500 4.135 3.709 5.067 . 0 0 "[ . 1 .]" 1
1340 1 134 LEU H 1 134 LEU QB 3.100 . 4.100 2.214 2.186 2.255 . 0 0 "[ . 1 .]" 1
1341 1 134 LEU H 1 134 LEU MD1 5.100 . 6.100 4.117 3.959 4.205 . 0 0 "[ . 1 .]" 1
1342 1 134 LEU H 1 134 LEU QD 4.400 . 6.800 3.712 3.637 3.762 . 0 0 "[ . 1 .]" 1
1343 1 134 LEU H 1 134 LEU MD2 5.100 . 6.100 4.223 4.182 4.270 . 0 0 "[ . 1 .]" 1
1344 1 134 LEU H 1 134 LEU HG 4.600 . 4.600 4.443 4.353 4.526 . 0 0 "[ . 1 .]" 1
1345 1 134 LEU H 1 135 ARG H 3.100 . 3.100 2.648 2.493 2.980 . 0 0 "[ . 1 .]" 1
1346 1 134 LEU H 1 135 ARG HA 5.400 . 5.400 5.245 5.088 5.485 0.085 11 0 "[ . 1 .]" 1
1347 1 134 LEU H 1 145 LEU QD 4.100 . 6.500 4.514 3.767 5.354 . 0 0 "[ . 1 .]" 1
1348 1 134 LEU HA 1 134 LEU QD 3.500 . 5.900 2.120 2.007 2.213 . 0 0 "[ . 1 .]" 1
1349 1 134 LEU HA 1 138 LEU QD 5.200 . 7.600 4.153 3.186 5.332 . 0 0 "[ . 1 .]" 1
1350 1 134 LEU HA 1 145 LEU QD 4.500 . 6.900 4.646 4.024 5.393 . 0 0 "[ . 1 .]" 1
1351 1 134 LEU QB 1 135 ARG H 3.100 . 4.100 2.524 2.121 2.693 . 0 0 "[ . 1 .]" 1
1352 1 134 LEU QB 1 145 LEU QD 3.200 . 6.600 2.867 2.363 3.745 . 0 0 "[ . 1 .]" 1
1353 1 134 LEU QD 1 135 ARG H 4.600 . 7.000 3.849 3.508 4.044 . 0 0 "[ . 1 .]" 1
1354 1 134 LEU QD 1 136 THR H 5.400 . 7.800 4.917 4.768 5.179 . 0 0 "[ . 1 .]" 1
1355 1 134 LEU QD 1 137 GLN H 5.400 . 7.800 4.123 3.739 4.544 . 0 0 "[ . 1 .]" 1
1356 1 134 LEU QD 1 138 LEU H 4.600 . 7.000 3.721 3.333 4.245 . 0 0 "[ . 1 .]" 1
1357 1 134 LEU MD1 1 135 ARG H 5.300 . 6.300 4.433 4.259 4.608 . 0 0 "[ . 1 .]" 1
1358 1 134 LEU MD2 1 135 ARG H 5.300 . 6.300 4.234 3.734 4.477 . 0 0 "[ . 1 .]" 1
1359 1 134 LEU HG 1 135 ARG H 4.000 . 4.000 3.712 3.287 4.052 0.052 14 0 "[ . 1 .]" 1
1360 1 134 LEU HG 1 135 ARG HA 4.300 . 4.300 3.690 3.488 4.087 . 0 0 "[ . 1 .]" 1
1361 1 134 LEU HG 1 137 GLN QG 5.500 . 5.500 5.179 4.691 6.023 0.523 6 1 "[ .+ 1 .]" 1
1362 1 134 LEU HG 1 138 LEU H 5.100 . 5.100 4.203 3.908 4.637 . 0 0 "[ . 1 .]" 1
1363 1 134 LEU HG 1 138 LEU QD 3.500 . 5.900 2.374 2.023 3.304 . 0 0 "[ . 1 .]" 1
1364 1 134 LEU HG 1 145 LEU QD 4.500 . 6.900 2.563 1.943 3.381 . 0 0 "[ . 1 .]" 1
1365 1 135 ARG H 1 135 ARG QB 3.000 . 4.000 2.476 2.357 2.670 . 0 0 "[ . 1 .]" 1
1366 1 135 ARG H 1 135 ARG HG2 4.000 . 4.000 2.810 2.038 3.617 . 0 0 "[ . 1 .]" 1
1367 1 135 ARG H 1 135 ARG QG 4.000 . 4.300 2.338 2.018 2.641 . 0 0 "[ . 1 .]" 1
1368 1 135 ARG H 1 136 THR H 3.200 . 3.200 2.750 2.501 2.955 . 0 0 "[ . 1 .]" 1
1369 1 135 ARG H 1 137 GLN H 4.500 . 4.500 4.327 4.056 4.588 0.088 12 0 "[ . 1 .]" 1
1370 1 135 ARG H 1 145 LEU QD 3.400 . 5.800 3.009 2.542 3.697 . 0 0 "[ . 1 .]" 1
1371 1 135 ARG HA 1 137 GLN QB 5.100 . 6.100 5.110 4.916 5.403 . 0 0 "[ . 1 .]" 1
1372 1 135 ARG HA 1 138 LEU H 4.100 . 4.100 3.440 3.181 3.630 . 0 0 "[ . 1 .]" 1
1373 1 135 ARG HA 1 138 LEU QB 4.600 . 5.600 2.689 2.273 3.070 . 0 0 "[ . 1 .]" 1
1374 1 135 ARG HA 1 138 LEU QD 4.100 . 6.500 3.204 2.494 3.837 . 0 0 "[ . 1 .]" 1
1375 1 135 ARG HA 1 138 LEU HG 5.200 . 5.200 4.114 3.277 5.446 0.246 11 0 "[ . 1 .]" 1
1376 1 135 ARG HA 1 139 ALA H 4.600 . 4.600 3.887 3.367 4.218 . 0 0 "[ . 1 .]" 1
1377 1 135 ARG HA 1 139 ALA MB 5.000 . 6.000 4.319 3.954 4.579 . 0 0 "[ . 1 .]" 1
1378 1 135 ARG HA 1 145 LEU QB 4.500 . 4.700 3.225 1.988 4.364 . 0 0 "[ . 1 .]" 1
1379 1 135 ARG HA 1 145 LEU MD1 4.500 . 5.500 3.333 2.032 4.741 . 0 0 "[ . 1 .]" 1
1380 1 135 ARG HA 1 145 LEU QD 3.800 . 6.200 2.702 2.028 3.190 . 0 0 "[ . 1 .]" 1
1381 1 135 ARG HA 1 145 LEU MD2 4.500 . 5.500 3.591 2.253 4.575 . 0 0 "[ . 1 .]" 1
1382 1 135 ARG HA 1 145 LEU HG 5.200 . 5.200 3.516 2.129 5.324 0.124 2 0 "[ . 1 .]" 1
1383 1 135 ARG QB 1 136 THR H 4.400 . 5.000 3.624 3.478 3.815 . 0 0 "[ . 1 .]" 1
1384 1 135 ARG QB 1 139 ALA MB 4.800 . 6.800 4.057 3.374 4.418 . 0 0 "[ . 1 .]" 1
1385 1 135 ARG QB 1 145 LEU H 3.500 . 4.500 3.314 2.217 4.997 0.497 14 0 "[ . 1 .]" 1
1386 1 135 ARG QB 1 145 LEU QB 4.400 . 6.000 2.477 1.784 3.239 0.016 8 0 "[ . 1 .]" 1
1387 1 135 ARG QB 1 145 LEU QD 4.200 . 7.600 2.287 1.903 3.402 . 0 0 "[ . 1 .]" 1
1388 1 135 ARG QD 1 136 THR H 4.700 . 5.700 3.862 2.545 4.773 . 0 0 "[ . 1 .]" 1
1389 1 135 ARG QD 1 145 LEU QB 4.600 . 6.600 4.094 3.031 4.734 . 0 0 "[ . 1 .]" 1
1390 1 135 ARG QG 1 136 THR H 4.200 . 4.600 2.500 2.192 3.183 . 0 0 "[ . 1 .]" 1
1391 1 135 ARG QG 1 137 GLN H 5.300 . 6.300 4.728 4.409 5.265 . 0 0 "[ . 1 .]" 1
1392 1 135 ARG HG2 1 136 THR H 4.200 . 4.200 3.404 2.428 4.738 0.538 3 1 "[ + . 1 .]" 1
1393 1 136 THR H 1 136 THR HB 3.200 . 3.200 2.596 2.511 2.667 . 0 0 "[ . 1 .]" 1
1394 1 136 THR H 1 137 GLN H 3.200 . 3.200 2.533 2.290 2.769 . 0 0 "[ . 1 .]" 1
1395 1 136 THR H 1 137 GLN QG 4.700 . 4.700 3.990 3.756 4.378 . 0 0 "[ . 1 .]" 1
1396 1 136 THR H 1 138 LEU H 4.700 . 4.700 4.028 3.733 4.190 . 0 0 "[ . 1 .]" 1
1397 1 136 THR H 1 145 LEU QD 5.400 . 7.800 4.864 4.424 5.334 . 0 0 "[ . 1 .]" 1
1398 1 136 THR HA 1 137 GLN QG 5.400 . 5.400 5.203 4.931 5.295 . 0 0 "[ . 1 .]" 1
1399 1 136 THR MG 1 137 GLN H 3.800 . 4.800 3.264 2.166 3.775 . 0 0 "[ . 1 .]" 1
1400 1 136 THR MG 1 137 GLN QB 4.800 . 6.800 4.631 3.653 5.093 . 0 0 "[ . 1 .]" 1
1401 1 136 THR MG 1 137 GLN QE 4.600 . 5.600 3.677 2.275 5.413 . 0 0 "[ . 1 .]" 1
1402 1 136 THR MG 1 137 GLN QG 3.900 . 4.900 3.680 2.280 4.320 . 0 0 "[ . 1 .]" 1
1403 1 136 THR MG 1 139 ALA MB 4.800 . 6.800 3.877 3.340 4.675 . 0 0 "[ . 1 .]" 1
1404 1 137 GLN H 1 137 GLN QB 2.800 . 3.800 2.482 2.347 2.576 . 0 0 "[ . 1 .]" 1
1405 1 137 GLN H 1 137 GLN QG . . 3.200 2.107 1.989 2.333 . 0 0 "[ . 1 .]" 1
1406 1 137 GLN H 1 138 LEU H 3.200 . 3.200 2.612 2.502 2.818 . 0 0 "[ . 1 .]" 1
1407 1 137 GLN H 1 138 LEU QB 5.100 . 6.100 4.561 4.323 4.798 . 0 0 "[ . 1 .]" 1
1408 1 137 GLN H 1 138 LEU HG 5.100 . 5.100 5.266 4.197 6.975 1.875 4 6 "[ *+. *-* *.]" 1
1409 1 137 GLN H 1 139 ALA H 4.800 . 4.800 3.943 3.769 4.454 . 0 0 "[ . 1 .]" 1
1410 1 137 GLN H 1 139 ALA MB 4.500 . 5.500 4.657 4.467 5.239 . 0 0 "[ . 1 .]" 1
1411 1 137 GLN HA 1 137 GLN HE21 4.300 . 4.300 3.766 2.471 4.318 0.018 2 0 "[ . 1 .]" 1
1412 1 137 GLN HA 1 137 GLN QE 3.600 . 3.600 3.431 2.388 3.882 0.282 4 0 "[ . 1 .]" 1
1413 1 137 GLN HA 1 137 GLN HE22 4.300 . 5.300 4.056 3.160 5.430 0.130 4 0 "[ . 1 .]" 1
1414 1 137 GLN HA 1 137 GLN QG 3.700 . 3.700 2.952 2.422 3.112 . 0 0 "[ . 1 .]" 1
1415 1 137 GLN QB 1 138 LEU H 4.200 . 5.200 2.488 2.366 2.840 . 0 0 "[ . 1 .]" 1
1416 1 137 GLN QB 1 138 LEU QD 4.600 . 8.000 3.120 2.406 4.554 . 0 0 "[ . 1 .]" 1
1417 1 137 GLN QG 1 138 LEU H 4.500 . 4.500 3.900 3.677 4.186 . 0 0 "[ . 1 .]" 1
1418 1 138 LEU H 1 138 LEU QB 3.700 . 4.700 2.337 2.179 2.471 . 0 0 "[ . 1 .]" 1
1419 1 138 LEU H 1 138 LEU MD1 4.300 . 5.300 3.688 2.302 4.048 . 0 0 "[ . 1 .]" 1
1420 1 138 LEU H 1 138 LEU QD 3.600 . 6.000 2.881 2.271 3.686 . 0 0 "[ . 1 .]" 1
1421 1 138 LEU H 1 138 LEU MD2 4.300 . 5.300 3.177 2.289 4.244 . 0 0 "[ . 1 .]" 1
1422 1 138 LEU H 1 138 LEU HG 4.200 . 4.200 3.082 2.227 4.489 0.289 4 0 "[ . 1 .]" 1
1423 1 138 LEU H 1 139 ALA H 3.200 . 3.200 2.540 2.357 2.783 . 0 0 "[ . 1 .]" 1
1424 1 138 LEU H 1 139 ALA MB 4.400 . 5.400 4.216 4.023 4.433 . 0 0 "[ . 1 .]" 1
1425 1 138 LEU H 1 140 GLU H 4.700 . 4.700 4.135 3.803 4.316 . 0 0 "[ . 1 .]" 1
1426 1 138 LEU H 1 145 LEU QD 5.300 . 7.700 4.698 4.028 5.207 . 0 0 "[ . 1 .]" 1
1427 1 138 LEU HA 1 138 LEU QD 3.700 . 6.100 2.029 1.886 2.644 . 0 0 "[ . 1 .]" 1
1428 1 138 LEU HA 1 143 ILE HB 4.300 . 4.300 3.769 3.144 4.405 0.105 1 0 "[ . 1 .]" 1
1429 1 138 LEU HA 1 143 ILE MG 5.500 . 6.500 4.797 4.123 5.404 . 0 0 "[ . 1 .]" 1
1430 1 138 LEU QB 1 139 ALA H 3.500 . 4.500 2.790 2.514 2.940 . 0 0 "[ . 1 .]" 1
1431 1 138 LEU QB 1 143 ILE H 4.800 . 5.800 3.959 3.598 5.205 . 0 0 "[ . 1 .]" 1
1432 1 138 LEU QB 1 143 ILE MG 4.200 . 6.200 2.880 2.234 4.339 . 0 0 "[ . 1 .]" 1
1433 1 138 LEU QB 1 145 LEU H 5.500 . 6.500 3.912 3.163 4.783 . 0 0 "[ . 1 .]" 1
1434 1 138 LEU QD 1 139 ALA H 4.700 . 7.100 4.090 3.892 4.256 . 0 0 "[ . 1 .]" 1
1435 1 138 LEU QD 1 143 ILE HB 3.900 . 6.300 2.817 2.134 3.442 . 0 0 "[ . 1 .]" 1
1436 1 138 LEU QD 1 143 ILE MG 3.300 . 6.700 2.586 2.026 3.534 . 0 0 "[ . 1 .]" 1
1437 1 138 LEU QD 1 145 LEU H 4.800 . 7.200 4.271 2.642 5.911 . 0 0 "[ . 1 .]" 1
1438 1 138 LEU QD 1 145 LEU HA 4.500 . 6.900 4.507 2.791 6.289 . 0 0 "[ . 1 .]" 1
1439 1 138 LEU QD 1 145 LEU QB 3.900 . 7.300 3.645 1.962 5.704 . 0 0 "[ . 1 .]" 1
1440 1 138 LEU MD1 1 143 ILE MG 3.900 . 5.900 2.855 2.137 4.402 . 0 0 "[ . 1 .]" 1
1441 1 138 LEU MD2 1 143 ILE MG 3.900 . 5.900 3.571 2.055 5.546 . 0 0 "[ . 1 .]" 1
1442 1 138 LEU HG 1 139 ALA H 5.000 . 5.000 4.707 3.950 5.392 0.392 3 0 "[ . 1 .]" 1
1443 1 138 LEU HG 1 143 ILE MG 4.900 . 5.900 4.334 2.891 5.879 . 0 0 "[ . 1 .]" 1
1444 1 139 ALA H 1 139 ALA MB 2.700 . 3.700 2.225 2.196 2.256 . 0 0 "[ . 1 .]" 1
1445 1 139 ALA HA 1 140 GLU HA 5.500 . 5.500 4.731 4.623 4.809 . 0 0 "[ . 1 .]" 1
1446 1 139 ALA HA 1 141 SER H 5.500 . 5.500 3.687 3.497 3.851 . 0 0 "[ . 1 .]" 1
1447 1 139 ALA HA 1 143 ILE H 3.900 . 3.900 3.199 2.385 4.259 0.359 15 0 "[ . 1 .]" 1
1448 1 139 ALA MB 1 140 GLU H 3.100 . 4.100 2.692 2.553 2.868 . 0 0 "[ . 1 .]" 1
1449 1 139 ALA MB 1 140 GLU QB 4.700 . 6.700 4.396 4.209 4.548 . 0 0 "[ . 1 .]" 1
1450 1 139 ALA MB 1 140 GLU HG2 4.400 . 5.400 4.018 3.623 4.418 . 0 0 "[ . 1 .]" 1
1451 1 139 ALA MB 1 140 GLU QG 4.400 . 6.400 3.210 2.897 3.557 . 0 0 "[ . 1 .]" 1
1452 1 139 ALA MB 1 141 SER H 4.700 . 5.700 4.241 4.108 4.361 . 0 0 "[ . 1 .]" 1
1453 1 139 ALA MB 1 142 GLY H 4.700 . 5.700 4.412 4.226 4.753 . 0 0 "[ . 1 .]" 1
1454 1 139 ALA MB 1 143 ILE H 5.000 . 6.000 4.719 4.054 5.563 . 0 0 "[ . 1 .]" 1
1455 1 139 ALA MB 1 144 GLN HA 4.300 . 5.300 3.908 3.521 4.431 . 0 0 "[ . 1 .]" 1
1456 1 139 ALA MB 1 144 GLN HG2 4.700 . 5.700 3.924 2.095 5.269 . 0 0 "[ . 1 .]" 1
1457 1 139 ALA MB 1 144 GLN HG3 4.700 . 5.700 4.634 2.915 6.454 0.754 14 1 "[ . 1 +.]" 1
1458 1 140 GLU H 1 140 GLU QB 2.800 . 3.800 2.476 2.399 2.602 . 0 0 "[ . 1 .]" 1
1459 1 140 GLU H 1 140 GLU HG2 3.600 . 3.600 3.368 2.977 3.510 . 0 0 "[ . 1 .]" 1
1460 1 140 GLU H 1 140 GLU QG 3.600 . 4.000 2.282 2.009 2.546 . 0 0 "[ . 1 .]" 1
1461 1 140 GLU H 1 141 SER H 3.000 . 3.000 2.520 2.406 2.680 . 0 0 "[ . 1 .]" 1
1462 1 140 GLU H 1 141 SER QB 5.200 . 6.200 4.336 4.089 4.707 . 0 0 "[ . 1 .]" 1
1463 1 140 GLU HA 1 140 GLU HG2 4.200 . 4.200 2.519 2.390 2.648 . 0 0 "[ . 1 .]" 1
1464 1 140 GLU HA 1 141 SER HA 5.000 . 5.000 4.574 4.430 4.632 . 0 0 "[ . 1 .]" 1
1465 1 140 GLU QB 1 141 SER H 3.400 . 4.400 3.159 2.978 3.595 . 0 0 "[ . 1 .]" 1
1466 1 140 GLU QB 1 141 SER QB 4.100 . 6.100 4.092 3.688 4.581 . 0 0 "[ . 1 .]" 1
1467 1 140 GLU QG 1 141 SER H 4.800 . 5.800 4.205 3.975 4.343 . 0 0 "[ . 1 .]" 1
1468 1 141 SER H 1 142 GLY H 2.900 . 2.900 2.196 1.822 2.397 . 0 0 "[ . 1 .]" 1
1469 1 141 SER H 1 142 GLY QA 4.700 . 5.700 4.164 3.906 4.282 . 0 0 "[ . 1 .]" 1
1470 1 141 SER H 1 143 ILE H 4.200 . 4.200 3.494 3.119 3.866 . 0 0 "[ . 1 .]" 1
1471 1 141 SER H 1 143 ILE MD 4.400 . 5.400 4.550 3.759 5.723 0.323 4 0 "[ . 1 .]" 1
1472 1 141 SER HA 1 142 GLY QA 5.200 . 6.200 4.161 4.116 4.196 . 0 0 "[ . 1 .]" 1
1473 1 141 SER QB 1 142 GLY H 3.800 . 4.800 3.344 3.104 3.628 . 0 0 "[ . 1 .]" 1
1474 1 141 SER QB 1 143 ILE H 4.500 . 5.500 3.338 2.751 4.056 . 0 0 "[ . 1 .]" 1
1475 1 141 SER QB 1 143 ILE MD 4.200 . 6.200 2.680 2.149 3.689 . 0 0 "[ . 1 .]" 1
1476 1 141 SER QB 1 143 ILE MG 5.300 . 7.300 4.799 4.387 5.233 . 0 0 "[ . 1 .]" 1
1477 1 142 GLY H 1 143 ILE HB 4.600 . 4.600 4.757 4.346 5.137 0.537 14 2 "[ -. 1 +.]" 1
1478 1 142 GLY QA 1 143 ILE MD 4.100 . 6.100 3.803 2.915 5.100 . 0 0 "[ . 1 .]" 1
1479 1 143 ILE H 1 143 ILE HB 3.000 . 3.000 2.649 2.435 2.802 . 0 0 "[ . 1 .]" 1
1480 1 143 ILE H 1 143 ILE MD 3.600 . 4.600 3.008 1.705 4.390 0.095 15 0 "[ . 1 .]" 1
1481 1 143 ILE H 1 143 ILE QG 3.600 . 4.600 3.144 2.077 3.871 . 0 0 "[ . 1 .]" 1
1482 1 143 ILE H 1 143 ILE MG 3.900 . 4.900 3.822 3.771 3.887 . 0 0 "[ . 1 .]" 1
1483 1 143 ILE H 1 144 GLN H 4.500 . 4.500 4.381 4.230 4.596 0.096 1 0 "[ . 1 .]" 1
1484 1 143 ILE HA 1 143 ILE MD 3.600 . 4.600 3.454 3.072 3.902 . 0 0 "[ . 1 .]" 1
1485 1 143 ILE HA 1 143 ILE QG 3.100 . 4.100 2.394 2.278 2.520 . 0 0 "[ . 1 .]" 1
1486 1 143 ILE HA 1 143 ILE MG 3.400 . 4.400 2.458 2.328 2.574 . 0 0 "[ . 1 .]" 1
1487 1 143 ILE HA 1 144 GLN H 2.700 . 2.700 2.207 2.132 2.304 . 0 0 "[ . 1 .]" 1
1488 1 143 ILE HB 1 143 ILE MD 3.300 . 4.300 2.358 2.295 2.471 . 0 0 "[ . 1 .]" 1
1489 1 143 ILE HB 1 144 GLN H 4.700 . 4.700 4.029 3.680 4.266 . 0 0 "[ . 1 .]" 1
1490 1 143 ILE HB 1 144 GLN HA 5.500 . 5.500 4.835 4.575 5.021 . 0 0 "[ . 1 .]" 1
1491 1 143 ILE MD 1 144 GLN H 5.100 . 6.100 4.905 4.690 5.375 . 0 0 "[ . 1 .]" 1
1492 1 143 ILE QG 1 144 GLN H 5.200 . 5.400 4.027 3.798 4.362 . 0 0 "[ . 1 .]" 1
1493 1 143 ILE HG12 1 144 GLN H 5.200 . 5.200 4.732 4.171 5.265 0.065 5 0 "[ . 1 .]" 1
1494 1 143 ILE MG 1 144 GLN H 3.200 . 4.200 2.420 2.034 2.953 . 0 0 "[ . 1 .]" 1
1495 1 143 ILE MG 1 144 GLN QB 4.200 . 6.200 4.159 3.813 4.643 . 0 0 "[ . 1 .]" 1
1496 1 144 GLN H 1 144 GLN QB 3.200 . 4.200 2.582 2.413 2.787 . 0 0 "[ . 1 .]" 1
1497 1 144 GLN H 1 144 GLN QE 4.500 . 4.500 4.103 3.319 4.714 0.214 12 0 "[ . 1 .]" 1
1498 1 144 GLN H 1 144 GLN QG 3.600 . 4.600 2.985 2.332 4.027 . 0 0 "[ . 1 .]" 1
1499 1 144 GLN H 1 145 LEU H 4.600 . 4.600 4.189 3.904 4.587 . 0 0 "[ . 1 .]" 1
1500 1 144 GLN H 1 145 LEU HA 5.500 . 5.500 4.849 4.608 5.274 . 0 0 "[ . 1 .]" 1
1501 1 144 GLN HA 1 145 LEU H 3.100 . 3.100 2.186 2.114 2.378 . 0 0 "[ . 1 .]" 1
1502 1 144 GLN QB 1 144 GLN QE 3.500 . 4.500 2.671 1.733 3.671 0.067 5 0 "[ . 1 .]" 1
1503 1 144 GLN HG2 1 145 LEU H 5.500 . 5.500 4.612 4.184 5.452 . 0 0 "[ . 1 .]" 1
1504 1 144 GLN HG3 1 145 LEU H 5.500 . 5.500 5.011 3.899 5.362 . 0 0 "[ . 1 .]" 1
1505 1 145 LEU H 1 145 LEU QB 2.900 . 3.900 2.412 2.230 2.780 . 0 0 "[ . 1 .]" 1
1506 1 145 LEU H 1 145 LEU MD1 4.500 . 5.500 3.899 3.556 4.228 . 0 0 "[ . 1 .]" 1
1507 1 145 LEU H 1 145 LEU QD 3.900 . 6.300 3.306 2.516 3.813 . 0 0 "[ . 1 .]" 1
1508 1 145 LEU H 1 145 LEU MD2 4.500 . 5.500 3.642 2.572 4.403 . 0 0 "[ . 1 .]" 1
1509 1 145 LEU H 1 145 LEU HG 4.700 . 4.700 3.223 1.870 4.543 . 0 0 "[ . 1 .]" 1
1510 1 145 LEU HA 1 145 LEU MD1 4.100 . 5.100 3.157 2.106 3.893 . 0 0 "[ . 1 .]" 1
1511 1 145 LEU HA 1 145 LEU QD 3.300 . 5.700 2.085 1.996 2.160 . 0 0 "[ . 1 .]" 1
1512 1 145 LEU HA 1 145 LEU MD2 4.100 . 5.100 2.800 2.002 3.914 . 0 0 "[ . 1 .]" 1
1513 1 147 GLN HA 1 148 SER H 3.000 . 3.000 2.281 2.129 2.513 . 0 0 "[ . 1 .]" 1
1514 1 147 GLN QB 1 148 SER H 3.900 . 4.900 3.082 2.088 3.727 . 0 0 "[ . 1 .]" 1
1515 1 147 GLN QG 1 148 SER H 4.300 . 5.300 3.409 2.045 4.298 . 0 0 "[ . 1 .]" 1
1516 1 148 SER H 1 148 SER QB 3.700 . 4.700 2.808 2.739 2.977 . 0 0 "[ . 1 .]" 1
1517 1 148 SER HA 1 149 SER H 2.900 . 2.900 2.244 2.095 2.413 . 0 0 "[ . 1 .]" 1
1518 1 148 SER QB 1 149 SER H 3.400 . 4.400 2.969 2.394 3.397 . 0 0 "[ . 1 .]" 1
1519 1 149 SER H 1 149 SER QB 3.100 . 4.100 2.764 2.572 2.844 . 0 0 "[ . 1 .]" 1
1520 1 149 SER H 1 150 ILE H 4.600 . 4.600 4.255 3.923 4.340 . 0 0 "[ . 1 .]" 1
1521 1 149 SER H 1 150 ILE HA 4.800 . 4.800 4.782 4.636 4.918 0.118 7 0 "[ . 1 .]" 1
1522 1 149 SER H 1 150 ILE QG 5.300 . 6.300 3.925 3.549 5.649 . 0 0 "[ . 1 .]" 1
1523 1 149 SER HA 1 150 ILE H 3.100 . 3.100 2.203 2.140 2.305 . 0 0 "[ . 1 .]" 1
1524 1 149 SER HA 1 150 ILE HA 5.200 . 5.200 4.416 4.372 4.463 . 0 0 "[ . 1 .]" 1
1525 1 149 SER QB 1 150 ILE H 3.500 . 4.500 3.128 2.807 3.721 . 0 0 "[ . 1 .]" 1
1526 1 150 ILE H 1 150 ILE HB 3.500 . 3.500 2.746 2.339 2.944 . 0 0 "[ . 1 .]" 1
1527 1 150 ILE H 1 150 ILE MD 4.200 . 5.200 4.015 1.920 4.388 . 0 0 "[ . 1 .]" 1
1528 1 150 ILE H 1 150 ILE QG 3.800 . 4.800 2.893 1.839 3.251 . 0 0 "[ . 1 .]" 1
1529 1 150 ILE HA 1 150 ILE MD 4.100 . 5.100 3.807 3.028 3.918 . 0 0 "[ . 1 .]" 1
1530 1 150 ILE HA 1 150 ILE MG 3.500 . 4.500 2.406 2.346 2.545 . 0 0 "[ . 1 .]" 1
1531 1 150 ILE HA 1 151 SER H 2.900 . 2.900 2.159 2.119 2.245 . 0 0 "[ . 1 .]" 1
1532 1 150 ILE HA 1 151 SER HA 4.600 . 4.600 4.388 4.351 4.424 . 0 0 "[ . 1 .]" 1
1533 1 150 ILE HB 1 150 ILE MD 3.400 . 4.400 2.433 2.359 2.463 . 0 0 "[ . 1 .]" 1
1534 1 150 ILE QG 1 150 ILE MG 3.100 . 5.100 2.314 2.090 2.352 . 0 0 "[ . 1 .]" 1
1535 1 150 ILE MG 1 151 SER H 3.600 . 4.600 2.893 2.325 3.344 . 0 0 "[ . 1 .]" 1
1536 1 151 SER H 1 151 SER QB 3.400 . 4.400 2.623 2.359 2.839 . 0 0 "[ . 1 .]" 1
1537 1 151 SER H 1 152 SER H 4.700 . 4.700 4.403 4.252 4.531 . 0 0 "[ . 1 .]" 1
1538 1 151 SER HA 1 152 SER H 3.100 . 3.100 2.257 2.131 2.448 . 0 0 "[ . 1 .]" 1
1539 1 151 SER HA 1 153 GLU H 4.800 . 4.800 4.178 3.338 5.577 0.777 9 1 "[ . +1 .]" 1
1540 1 151 SER QB 1 152 SER H 3.400 . 4.400 3.098 2.580 3.689 . 0 0 "[ . 1 .]" 1
1541 1 151 SER QB 1 153 GLU H 4.400 . 5.400 3.208 2.310 4.814 . 0 0 "[ . 1 .]" 1
1542 1 151 SER QB 1 154 SER HA 4.300 . 5.300 3.644 2.506 4.842 . 0 0 "[ . 1 .]" 1
1543 1 152 SER H 1 153 GLU H 3.400 . 3.400 2.770 2.210 4.251 0.851 9 1 "[ . +1 .]" 1
1544 1 152 SER H 1 153 GLU HA 4.500 . 4.500 5.139 4.827 6.039 1.539 9 5 "[ ** +- *]" 1
1545 1 152 SER QB 1 153 GLU H 4.400 . 4.800 3.186 2.664 3.969 . 0 0 "[ . 1 .]" 1
1546 1 152 SER QB 1 153 GLU QB 4.800 . 6.800 3.880 3.459 4.161 . 0 0 "[ . 1 .]" 1
1547 1 152 SER QB 1 153 GLU QG 4.400 . 6.400 3.380 2.525 5.711 . 0 0 "[ . 1 .]" 1
1548 1 153 GLU H 1 153 GLU QB 3.400 . 4.400 3.277 2.624 3.440 . 0 0 "[ . 1 .]" 1
1549 1 153 GLU H 1 153 GLU QG 4.000 . 5.000 2.886 2.351 4.149 . 0 0 "[ . 1 .]" 1
1550 1 153 GLU H 1 154 SER HA 4.200 . 4.200 4.459 3.734 5.524 1.324 9 5 "[ ** +* -]" 1
1551 1 153 GLU HA 1 154 SER H 3.300 . 3.300 3.340 2.140 3.572 0.272 14 0 "[ . 1 .]" 1
1552 1 153 GLU QB 1 154 SER H 4.500 . 4.800 3.047 1.796 3.760 0.004 10 0 "[ . 1 .]" 1
1553 1 153 GLU QB 1 155 PHE H 5.300 . 6.300 5.757 3.182 6.815 0.515 6 1 "[ .+ 1 .]" 1
1554 1 153 GLU QG 1 154 SER H 4.600 . 5.600 2.767 1.848 4.355 . 0 0 "[ . 1 .]" 1
1555 1 154 SER H 1 154 SER QB 3.600 . 4.600 2.881 2.352 3.315 . 0 0 "[ . 1 .]" 1
1556 1 154 SER HA 1 155 PHE H 3.500 . 3.500 2.695 2.138 3.574 0.074 13 0 "[ . 1 .]" 1
1557 1 154 SER QB 1 155 PHE H 5.400 . 6.400 2.853 1.912 3.755 . 0 0 "[ . 1 .]" 1
1558 1 155 PHE H 1 155 PHE QB 3.600 . 4.600 2.539 2.229 3.109 . 0 0 "[ . 1 .]" 1
1559 1 155 PHE HA 1 155 PHE QD 4.200 . 6.600 2.976 2.463 3.753 . 0 0 "[ . 1 .]" 1
1560 1 155 PHE HA 1 156 ALA MB 4.800 . 5.800 3.981 3.851 4.115 . 0 0 "[ . 1 .]" 1
1561 1 155 PHE QB 1 156 ALA H 4.800 . 5.800 3.394 2.487 3.947 . 0 0 "[ . 1 .]" 1
1562 1 156 ALA MB 1 157 GLY H 4.800 . 5.800 3.096 2.251 3.657 . 0 0 "[ . 1 .]" 1
1563 1 156 ALA MB 1 157 GLY QA 3.600 . 5.600 3.798 3.445 4.129 . 0 0 "[ . 1 .]" 1
1564 1 158 GLN H 1 158 GLN QG 3.600 . 4.600 2.799 1.901 4.229 . 0 0 "[ . 1 .]" 1
1565 1 158 GLN QB 1 159 GLN H 4.400 . 5.400 2.824 1.889 3.772 . 0 0 "[ . 1 .]" 1
1566 1 159 GLN QG 1 160 GLN H 5.100 . 6.100 3.606 2.596 4.307 . 0 0 "[ . 1 .]" 1
1567 1 162 SER H 1 162 SER QB 3.100 . 4.100 3.126 2.876 3.421 . 0 0 "[ . 1 .]" 1
1568 1 164 GLN H 1 164 GLN QG 4.700 . 5.700 3.611 1.912 4.478 . 0 0 "[ . 1 .]" 1
1569 1 164 GLN QB 1 165 GLN H 4.300 . 5.300 3.130 1.840 4.033 . 0 0 "[ . 1 .]" 1
1570 1 164 GLN QG 1 165 GLN H 5.000 . 6.000 3.422 1.607 4.371 0.193 1 0 "[ . 1 .]" 1
1571 1 166 GLN HA 1 166 GLN QG 3.800 . 4.800 2.900 2.392 3.562 . 0 0 "[ . 1 .]" 1
1572 1 168 SER HA 1 169 ARG HA 4.300 . 4.300 4.354 4.320 4.469 0.169 11 0 "[ . 1 .]" 1
1573 1 168 SER QB 1 169 ARG H 4.800 . 5.100 2.653 1.976 3.805 . 0 0 "[ . 1 .]" 1
1574 1 169 ARG HA 1 169 ARG QG 3.500 . 4.500 2.565 2.362 3.381 . 0 0 "[ . 1 .]" 1
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