NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
10230 |
1pfd   |
4181 | cing | 1-original | 2 | DYANA/DIANA | distance | NOE | simple |
1 ALA
HA 1 ALA QB 3.30 # s 2M 86570.0 e liu908 125
HA 2 THR HN 3.50 # 2 97450.0 e liu908 124
HA 2 THR HA 5.50 # 2 2859.0 e liu908 2003
HA 2 THR HB 5.50 # 2 2842.0 e liu908 2002
HA 3 TYR QE 8.00 # r w 5 422.0*2e liu908 8418
HA 19 ASP- HA 6.00 # w 4 176.0 e liu908 9082
HA 20 ASP- HN 6.00 # w 4 1156.0 e liu908 9086
HA 20 ASP- HB3 6.00 # w 5 60.0 e liu908 9087
QB 2 THR HN 4.30 # 2M 30900.0 e liu908 127
QB 2 THR HA 7.00 # w 2M 442.0 e liu908 9088
QB 2 THR HB 7.00 # w 5M 4144.0 e liu908 9089
QB 3 TYR HN 6.60 # 3M 1235.0 e liu908 9090
QB 3 TYR QD 9.00 # r w 5M 1528.5*2e liu908 2017
QB 3 TYR QE 7.70 # r 5M 19715.0*2e liu908 2021
QB 20 ASP- HN 7.00 # w 5M 4869.0 e liu908 4504
QB 20 ASP- HB2 6.70 # 5M 7344.0 e liu908 4506
QB 20 ASP- HB3 6.50 # 5M 9464.0 e liu908 4505
2 THR
HN 2 THR HA 4.10 # 2 18850.0 e liu908 76
HN 2 THR HB 3.70 # 2 64980.0 e liu908 111
HN 2 THR QG2 6.30 # 1M 5250.0 e liu908 112
HN 2 THR HG1 3.90 # 1 7528.0 e liu908 6948
HN 3 TYR HN 5.30 # 2 3834.0 e liu908 87
HN 3 TYR HA 5.80 # 2 2129.0 e liu908 2010
HN 3 TYR HB2 6.00 # w 2 365.0 e liu908 9095
HN 3 TYR QD 8.00 # r w 5 26.5*2e liu908 9096
HN 3 TYR QE 8.00 # r w 5 641.0*2e liu908 2009
HN 18 CYS HN 6.00 # w 4 109.0 e liu908 9111
HN 19 ASP- HA 4.70 # 4 6804.0 e liu908 4517
HN 19 ASP- HB2 6.00 ># w 5 177.0 e liu908 9098
HN 19 ASP- HB3 6.00 <# w 5 699.0 e liu908 9097
HN 20 ASP- HN 3.60 # 4 37510.0 e liu908 9101
HN 20 ASP- HA 6.00 # w 4 125.0 e liu908 9102
HN 20 ASP- HB2 6.00 ># w 5 177.0 e liu908 9103
HN 21 ASP- HN 5.30 # 4 5499.0 e liu908 9105
HA 2 THR HB 3.90 # 2 22450.0 e liu908 113
HA 2 THR QG2 4.00 # 1M 76690.0 e liu908 114
HA 2 THR HG1 5.00 # 1 1607.0 e liu908 7014
HA 3 TYR HN 2.90 # 2 146800.0 e liu908 86
HA 3 TYR QD 8.00 # r w 5 684.5*2e liu908 9106
HA 3 TYR QE 6.30 # r 5 7560.0*2e liu908 2012
HA 17 LYS+ HB3 6.00 # w 5 339.0 e liu908 9108
HA 18 CYS HN 5.00 # 4 5254.0 e liu908 4511
HA 18 CYS HA 5.30 # 4 3642.0 e liu908 9109
HA 18 CYS HB3 5.90 # 5 1056.0 e liu908 4514
HA 19 ASP- HN 4.50 # 4 10000.0 e liu908 8244
HA 19 ASP- HA 3.90 # 4 22110.0 e liu908 4518
HA 19 ASP- HB3 4.80 # 5 3653.0 e liu908 8251
HA 20 ASP- HN 4.10 # 4 17730.0 e liu908 4522
HA 20 ASP- HA 6.00 # w 4 132.0 e liu908 8236
HA 20 ASP- HB3 6.00 # w 5 312.0 e liu908 8241
HB 2 THR QG2 3.60 # 1M 151300.0 e liu908 118
HB 2 THR HG1 4.00 # 1 6435.0 e liu908 6945
HB 3 TYR HN 5.00 # 2 5296.0 e liu908 2007
HB 3 TYR HA 5.90 # 2 1974.0 e liu908 2013
HB 17 LYS+ HB3 6.00 # w 5 905.0 e liu908 9112
HB 17 LYS+ QG 7.00 # m w 5 248.5*2e liu908 9113
HB 19 ASP- HA 5.30 # 5 2116.0 e liu908 9114
HB 19 ASP- HB3 6.00 # w 5 442.0 e liu908 9115
HB 20 ASP- HN 6.00 # 5 1014.0 e liu908 9116
QG2 2 THR HG1 5.50 # 1M 12030.0 e liu908 6949
QG2 3 TYR HN 4.80 # 5M 61130.0 e liu908 2005
QG2 3 TYR HA 7.00 # w 5M 2617.0 e liu908 2016
QG2 3 TYR QD 9.00 # r w 5M 512.5*2e liu908 2019
QG2 3 TYR QE 8.80 # r 5M 7190.0*2e liu908 2022
QG2 17 LYS+ HN 7.00 # w 5M 2735.0 e liu908 4515
QG2 17 LYS+ HA 6.40 # 5M 9575.0 e liu908 4516
QG2 17 LYS+ HB2 6.90 ># 5M 6502.0 e liu908 8287
QG2 17 LYS+ HB3 4.50 <# 5M 87010.0 e liu908 8289
QG2 17 LYS+ QG 6.50 # m 5M 25680.0*2e liu908 8291
QG2 17 LYS+ HD2 5.00 # 5M 44650.0 e liu908 8293
QG2 17 LYS+ HD3 5.30 # 5M 32030.0 e liu908 8290
QG2 17 LYS+ QE 8.00 # m w 5M 3028.0*2e liu908 8297
QG2 18 CYS HN 5.20 # 5M 35690.0 e liu908 4512
QG2 18 CYS HA 6.20 # 5M 12560.0 e liu908 8263
QG2 19 ASP- HN 7.00 # w 5M 4002.0 e liu908 8246
QG2 19 ASP- HA 5.30 # 5M 30010.0 e liu908 4520
QG2 19 ASP- HB3 7.00 # w 5M 528.0 e liu908 8253
QG2 20 ASP- HN 7.00 # w 5M 1016.0 e liu908 8234
QG2 27 GLN QG 8.00 # m w 5M 866.5*2e liu908 9119
HG1 19 ASP- HA 4.30 # 5 7896.0 e liu908 8250
HG1 19 ASP- HB3 6.00 # w 5 624.0 e liu908 9118
HG1 20 ASP- HN 4.20 # 5 8441.0 e liu908 9117
3 TYR
HN 3 TYR HA 3.50 # 2 43900.0 e liu908 85
HN 3 TYR HB2 3.50 # 2 45040.0 e liu908 133
HN 3 TYR HB3 4.00 # 2 19100.0 e liu908 128
HN 3 TYR QD 6.00 # r 1 6245.0*2e liu908 144
HN 3 TYR QE 6.20 # m 1 1260.5*2e liu908 143
HN 4 ASN HN 4.90 # 2 6079.0 e liu908 2023
HN 5 VAL HN 6.00 # w 3 1407.0 e liu908 9120
HN 5 VAL QG2 6.70 # 5M 7331.0 e liu908 4526
HN 17 LYS+ HA 4.80 # 4 11270.0 e liu908 8299
HN 17 LYS+ HB3 6.00 # w 5 907.0 e liu908 8302
HN 17 LYS+ HD3 6.00 # w 5 617.0 e liu908 8303
HN 18 CYS HN 3.60 # 4 38280.0 e liu908 4534
HN 18 CYS HA 5.20 # 4 4141.0 e liu908 8266
HN 18 CYS HB2 6.00 # w 5 .0 e liu908 8267
HN 18 CYS HB3 4.80 # 5 3585.0 e liu908 4536
HN 19 ASP- HN 5.50 # 4 2678.0 e liu908 4544
HN 19 ASP- HA 3.80 # 4 27050.0 e liu908 4542
HN 20 ASP- HN 5.30 # 4 3614.0 e liu908 4547
HN 20 ASP- HA 5.80 # 4 2114.0 e liu908 4549
HN 81 PRO HB2 4.60 # 5 5132.0 e liu908 9121
HN 81 PRO HG2 5.00 # 5 2998.0 e liu908 4560
HN 81 PRO HG3 5.70 # 5 1351.0 e liu908 7545
HN 84 ASP- HA 6.00 # w 4 849.0 e liu908 4579
HA 3 TYR HB2 3.70 # 2 34260.0 e liu908 132
HA 3 TYR HB3 3.20 # 2 80670.0 e liu908 134
HA 3 TYR QD 4.50 # m 1 14100.0*2e liu908 140
HA 3 TYR QE 6.10 # i 1 965.5*2e liu908 137
HA 4 ASN HN 3.10 # 2 102400.0 e liu908 89
HA 4 ASN HB2 6.00 ># w 2 1191.0 e liu908 2039
HA 4 ASN HB3 4.80 <# 2 8478.0 e liu908 2038
HA 5 VAL HN 6.00 # w 3 462.0 e liu908 9122
HA 17 LYS+ HA 5.80 # 4 2082.0 e liu908 9123
HA 17 LYS+ QG 7.00 # m w 5 333.0*2e liu908 9125
HA 17 LYS+ HD2 6.00 # w 5 396.0 e liu908 9124
HA 18 CYS HN 5.30 # 4 3551.0 e liu908 4537
HA 84 ASP- HN 6.00 # 4 1651.0 e liu908 4582
HA 84 ASP- HA 5.20 # 4 3942.0 e liu908 4588
HB2 3 TYR QD 4.90 # r 1 41965.0*2e liu908 150
HB2 3 TYR QE 6.00 <# r 1 6155.0*2e liu908 139
HB2 4 ASN HN 3.90 ># 2 24120.0 e liu908 2026
HB2 4 ASN HA 5.80 # 2 2186.0 e liu908 9126
HB2 5 VAL HN 5.10 # 3 5433.0 e liu908 9127
HB2 5 VAL QG2 6.40 # 5M 9942.0 e liu908 4528
HB2 18 CYS HN 4.00 <# 5 11530.0 e liu908 4540
HB2 18 CYS HB2 6.00 # w 5 .0 e liu908 8450
HB2 18 CYS HB3 4.30 # 5 9835.0 e liu908 9129
HB2 19 ASP- HA 6.00 # w 5 808.0 e liu908 8255
HB2 81 PRO HB2 3.20 # 5 43550.0 e liu908 7536
HB2 81 PRO HG2 6.00 # w 5 .0 e liu908 7554
HB2 81 PRO HG3 6.00 # w 5 .0 e liu908 7547
HB2 83 SER HN 4.40 # 5 6299.0 e liu908 7467
HB2 83 SER HA 4.20 # 5 8214.0 e liu908 9130
HB2 84 ASP- HA 3.60 ># 5 21410.0 e liu908 4592
HB2 85 VAL HN 4.90 ># 5 3526.0 e liu908 7420
HB3 3 TYR QD 5.00 # r 1 38400.0*2e liu908 149
HB3 3 TYR QE 6.80 ># r 1 2181.5*2e liu908 138
HB3 4 ASN HN 3.30 <# 2 64370.0 e liu908 2025
HB3 4 ASN HA 5.10 # 2 4536.0 e liu908 9131
HB3 5 VAL QG2 7.00 # w 5M 3955.0 e liu908 4531
HB3 18 CYS HN 6.00 ># 5 977.0 e liu908 8265
HB3 18 CYS HB3 5.80 # 5 1176.0 e liu908 8446
HB3 81 PRO HB2 6.00 # w 5 351.0 e liu908 7535
HB3 81 PRO HG2 6.00 # w 5 .0 e liu908 7551
HB3 83 SER HN 4.70 # 5 4374.0 e liu908 7466
HB3 84 ASP- HN 3.50 # 5 26760.0 e liu908 7445
HB3 84 ASP- HA 2.90 <# 5 78510.0 e liu908 4591
HB3 84 ASP- HB2 5.80 # 5 1175.0 e liu908 7451
HB3 84 ASP- HB3 6.00 # w 5 784.0 e liu908 7448
HB3 85 VAL HN 4.10 <# 5 10600.0 e liu908 4594
HB3 85 VAL QQG 8.40 # w 5M 2961.0*2e liu908 4597
QD 3 TYR QE 6.80 # rr 1 58675.0*4e liu908 146
QD 4 ASN HN 6.30 # r 5 7445.0*2e liu908 2029
QD 4 ASN HB3 6.60 # r 5 6190.0*2e liu908 2041
QD 5 VAL QG2 9.00 # r w 5M 4941.5*2e liu908 4533
QD 18 CYS HN 8.00 # r w 5 175.0*2e liu908 8264
QD 18 CYS HB2 7.80 <# r 5 1172.5*2e liu908 8270
QD 18 CYS HB3 8.00 ># r w 5 412.0*2e liu908 8271
QD 20 ASP- HN 7.00 # r 5 3040.0*2e liu908 4551
QD 20 ASP- HA 7.90 # r 5 1122.0*2e liu908 4550
QD 20 ASP- HB2 6.00 <# r 5 10725.0*2e liu908 8242
QD 20 ASP- HB3 7.50 ># r 5 1746.5*2e liu908 9134
QD 81 PRO HB2 6.90 ># r 5 3526.0*2e liu908 7539
QD 81 PRO HB3 6.10 <# r 5 9310.0*2e liu908 7542
QD 81 PRO HG3 6.80 # r 5 3846.0*2e liu908 4567
QD 81 PRO HD2 6.80 # r 5 3663.5*2e liu908 4561
QD 82 THR HN 7.60 # r 5 1422.0*2e liu908 9133
QD 83 SER HN 6.80 # r 5 4053.5*2e liu908 7470
QD 83 SER HA 5.80 # r 5 15200.0*2e liu908 7472
QD 84 ASP- HN 6.30 # r 5 7170.0*2e liu908 4581
QD 84 ASP- HA 8.00 # r w 5 659.5*2e liu908 4583
QE 4 ASN HN 8.00 # r w 5 766.5*2e liu908 2030
QE 19 ASP- HA 8.00 # r w 5 828.0*2e liu908 8753
QE 20 ASP- HN 6.80 # r 5 3799.0*2e liu908 4556
QE 20 ASP- HA 6.10 # r 5 9700.0*2e liu908 4553
QE 20 ASP- HB2 5.20 # r 5 44785.0*2e liu908 4555
QE 20 ASP- HB3 5.50 # r 5 27365.0*2e liu908 4554
QE 81 PRO HB2 8.00 # r w 5 203.0*2e liu908 7540
QE 81 PRO HG2 6.70 <# r 5 4223.5*2e liu908 7555
QE 81 PRO HG3 8.00 ># r 5 1034.5*2e liu908 8754
QE 82 THR HN 7.50 # r 5 1649.5*2e liu908 4569
QE 82 THR HA 5.20 # r 5 40780.0*2e liu908 4563
QE 82 THR HB 7.90 # r 5 1046.0*2e liu908 7521
QE 83 SER HN 7.00 # r 5 2853.5*2e liu908 4570
QE 83 SER HA 5.80 # r 5 15020.0*2e liu908 4578
QE 83 SER HB2 7.40 # r 5 1774.0*2e liu908 4572
QE 83 SER HB3 7.90 # r 5 1140.0*2e liu908 4571
QE 84 ASP- HN 6.90 # r 5 3325.0*2e liu908 4580
QE 84 ASP- HA 8.00 # r w 5 527.5*2e liu908 4586
QE 84 ASP- HB3 8.00 # r w 5 194.0*2e liu908 7449
QE 85 VAL QQG 10.40 # r w 5M 332.2*4e liu908 8756
4 ASN
HN 4 ASN HA 3.70 # 2 34410.0 e liu908 7
HN 4 ASN HB2 3.80 # 2 29720.0 e liu908 153
HN 4 ASN HB3 3.30 # 2 66260.0 e liu908 154
HN 4 ASN HD21 4.30 <# 1 4088.0 e liu908 3186
HN 4 ASN HD22 5.60 ># 1 836.0 e liu908 3187
HN 5 VAL HN 4.20 # 2 14680.0 e liu908 2043
HN 5 VAL HA 5.60 # 2 2606.0 e liu908 2048
HN 18 CYS HN 5.20 # 4 3861.0 e liu908 4612
HN 84 ASP- HN 5.30 # 4 3651.0 e liu908 4617
HN 84 ASP- HA 3.30 # 4 59400.0 e liu908 4618
HN 84 ASP- HB2 4.20 <# 5 7998.0 e liu908 4626
HN 84 ASP- HB3 5.00 ># 5 2860.0 e liu908 4629
HN 85 VAL HN 5.20 # 4 3780.0 e liu908 4630
HA 4 ASN HB2 3.70 # 2 35310.0 e liu908 157
HA 4 ASN HB3 4.20 # 2 14690.0 e liu908 158
HA 4 ASN HD21 4.90 # 1 1834.0 e liu908 3183
HA 4 ASN HD22 5.00 # 1 1615.0 e liu908 3188
HA 5 VAL HN 2.90 # 2 159700.0 e liu908 90
HA 5 VAL HB 5.60 # 2 2619.0 e liu908 2050
HA 5 VAL QG1 7.00 # w 5M 1117.0 e liu908 2051
HA 16 PHE HN 5.50 # 4 2858.0 e liu908 8341
HA 17 LYS+ HA 4.70 # 4 7189.0 e liu908 4610
HA 17 LYS+ QG 6.90 # m 5 1068.0*2e liu908 8306
HA 17 LYS+ HD2 4.60 # 5 4813.0 e liu908 8308
HA 17 LYS+ HD3 4.80 # 5 4012.0 e liu908 8307
HA 18 CYS HN 4.50 # 4 9568.0 e liu908 4613
HA 84 ASP- HA 6.00 # w 4 257.0 e liu908 4620
HB2 4 ASN HD21 3.40 # 1 28280.0 e liu908 3184
HB2 4 ASN HD22 4.10 # 1 7665.0 e liu908 3189
HB2 5 VAL HN 4.60 # 2 11740.0 e liu908 2045
HB2 84 ASP- HA 4.90 # 5 3175.0 e liu908 4621
HB2 84 ASP- HB2 6.00 # w 5 .0 e liu908 7456
HB3 4 ASN HD21 3.50 # 1 15730.0 e liu908 3193
HB3 4 ASN HD22 4.20 # 1 4885.0 e liu908 3190
HB3 5 VAL HN 4.80 # 2 7056.0 e liu908 2047
HB3 5 VAL HA 5.10 # 2 4807.0 e liu908 2049
HB3 17 LYS+ HA 6.00 # w 5 325.0 e liu908 8305
HB3 84 ASP- HA 4.30 # 5 7740.0 e liu908 4622
HB3 84 ASP- HB2 3.50 # 5 25900.0 e liu908 7454
HB3 85 VAL HN 5.60 # 5 1464.0 e liu908 8548
HD21 6 LYS+ HB2 5.00 # 5 3063.0 e liu908 8669
HD21 6 LYS+ HB3 6.00 # w 5 653.0 e liu908 8675
HD21 15 GLU- HA 6.00 # w 5 512.0 e liu908 8419
HD21 15 GLU- HB2 6.00 # w 5 494.0 e liu908 4608
HD21 15 GLU- HB3 5.40 # 5 2135.0 e liu908 8420
HD21 15 GLU- QG 6.40 # m 5 1788.5*2e liu908 4602
HD21 17 LYS+ QE 7.00 # m w 5 219.0*2e liu908 8309
HD21 84 ASP- HA 6.00 # w 5 560.0 e liu908 4625
HD21 84 ASP- HB2 6.00 # w 5 853.0 e liu908 7459
HD21 84 ASP- HB3 6.00 # w 5 104.0 e liu908 8555
HD22 6 LYS+ HB2 5.00 # 5 3031.0 e liu908 8670
HD22 6 LYS+ HB3 5.50 # 5 1669.0 e liu908 8676
HD22 15 GLU- HA 6.00 # w 5 651.0 e liu908 4605
HD22 15 GLU- HB2 6.00 # w 5 604.0 e liu908 4601
HD22 15 GLU- HB3 5.30 # 5 2079.0 e liu908 4600
HD22 15 GLU- QG 7.00 # m 5 948.5*2e liu908 4599
HD22 17 LYS+ QE 7.00 # m w 5 410.5*2e liu908 8422
5 VAL
HN 5 VAL HA 3.70 # 2 32440.0 e liu908 20
HN 5 VAL HB 3.10 # 2 93440.0 e liu908 162
HN 5 VAL QG1 5.00 ># 1M 20210.0 e liu908 163
HN 5 VAL QG2 4.30 <# 1M 52950.0 e liu908 164
HN 6 LYS+ HN 4.60 # 2 8817.0 e liu908 2054
HN 15 GLU- HA 5.30 # 4 3557.0 e liu908 4634
HN 15 GLU- QG 5.80 # m 5 3663.5*2e liu908 8360
HN 16 PHE HN 3.70 # 4 28480.0 e liu908 4652
HN 16 PHE HA 5.30 # 4 3368.0 e liu908 4654
HN 16 PHE QD 6.80 # r 5 3960.5*2e liu908 4655
HN 16 PHE QE 8.00 # r w 5 298.5*2e liu908 4657
HN 17 LYS+ HN 5.60 # 4 2444.0 e liu908 4677
HN 17 LYS+ HA 3.60 # 4 34850.0 e liu908 4676
HN 17 LYS+ QG 7.00 # m w 5 578.0*2e liu908 8311
HN 17 LYS+ HD2 4.60 <# 5 4969.0 e liu908 8313
HN 17 LYS+ HD3 5.90 ># 5 1114.0 e liu908 8312
HN 18 CYS HN 4.60 # 4 8769.0 e liu908 4681
HN 18 CYS HB2 5.20 # 5 2219.0 e liu908 8273
HN 18 CYS HB3 5.80 # 5 1234.0 e liu908 4688
HA 5 VAL HB 3.80 # 2 26960.0 e liu908 165
HA 5 VAL QG1 4.00 # 1M 83750.0 e liu908 167
HA 5 VAL QG2 4.00 # 1M 74950.0 e liu908 166
HA 6 LYS+ HN 2.70 # 2 219700.0 e liu908 91
HA 6 LYS+ HB2 5.90 # 2 2016.0 e liu908 2065
HA 6 LYS+ HB3 5.30 # 2 3713.0 e liu908 2064
HA 15 GLU- HA 6.00 # w 4 596.0 e liu908 8740
HA 16 PHE QD 8.00 # r w 5 250.5*2e liu908 8346
HA 84 ASP- HA 6.00 # w 4 1269.0 e liu908 4713
HA 85 VAL HN 3.30 # 4 60130.0 e liu908 4720
HA 85 VAL HB 6.00 # w 5 312.0 e liu908 4722
HA 85 VAL QQG 6.80 # 5M 27920.0*2e liu908 4723
HA 86 VAL HA 5.30 # 4 3470.0 e liu908 4860
HB 5 VAL QG1 3.40 # 1M 218300.0 e liu908 168
HB 5 VAL QG2 3.30 # s 1M 380700.0 e liu908 172
HB 6 LYS+ HN 4.80 # 2 6996.0 e liu908 2055
HB 15 GLU- HA 5.00 # 5 2968.0 e liu908 4632
HB 16 PHE HN 3.90 # 5 12940.0 e liu908 4659
HB 16 PHE HB2 6.00 # w 5 257.0 e liu908 8342
HB 16 PHE QD 5.50 # r 5 24165.0*2e liu908 4668
HB 16 PHE QE 5.90 # r 5 12565.0*2e liu908 4671
HB 17 LYS+ HA 5.60 # 5 1528.0 e liu908 8310
HB 18 CYS HN 5.60 # 5 1472.0 e liu908 4682
HB 18 CYS HB2 4.20 # 5 8863.0 e liu908 4691
HB 18 CYS HB3 4.70 # 5 4271.0 e liu908 4692
HB 24 VAL QG2 6.30 # 5M 10810.0 e liu908 8191
QG1 6 LYS+ HN 4.80 <# 5M 55290.0 e liu908 2057
QG1 6 LYS+ HA 7.00 # w 5M 3716.0 e liu908 2063
QG1 6 LYS+ HB3 7.00 # w 5M 1763.0 e liu908 4640
QG1 7 LEU HN 6.30 # 5M 10930.0 e liu908 4643
QG1 7 LEU HA 6.90 # 5M 6163.0 e liu908 4646
QG1 7 LEU HB2 7.00 # w 5M 3806.0 e liu908 4650
QG1 7 LEU HB3 7.00 # w 5M 1686.0 e liu908 4648
QG1 7 LEU HG 4.90 # 5M 50920.0 e liu908 4649
QG1 15 GLU- HA 7.00 # w 5M 3491.0 e liu908 4633
QG1 15 GLU- QG 8.00 # m w 5M 618.5*2e liu908 4638
QG1 16 PHE HN 7.00 # w 5M 4866.0 e liu908 4661
QG1 16 PHE QD 7.40 # r 5M 27750.0*2e liu908 4666
QG1 16 PHE QE 7.50 <# r 5M 25960.0*2e liu908 4665
QG1 18 CYS HB2 7.00 # w 5M 2833.0 e liu908 4701
QG1 18 CYS HB3 7.00 # w 5M 4786.0 e liu908 4700
QG1 24 VAL HA 7.00 # 5M 5565.0 e liu908 4704
QG1 24 VAL HB 7.00 # w 5M 1794.0 e liu908 4705
QG1 24 VAL QG1 6.00 # m 5M 46890.0 e liu908 8190
QG1 24 VAL QG2 6.40 # m 5M 28280.0 e liu908 8188
QG1 81 PRO HB3 7.00 # w 5M 665.0 e liu908 7560
QG1 81 PRO HG2 7.00 # w 5M 1078.0 e liu908 7563
QG1 81 PRO HG3 7.00 # w 5M 595.0 e liu908 8560
QG1 84 ASP- HA 7.00 ># w 5M 390.0 e liu908 4719
QG1 85 VAL HN 6.90 ># 5M 6450.0 e liu908 7016
QG1 85 VAL HB 7.00 ># w 5M 1113.0 e liu908 4858
QG1 85 VAL QQG 8.10 # q 5M 19465.0*2e liu908 7430
QG1 86 VAL HN 7.00 # w 5M 589.0 e liu908 4862
QG1 86 VAL HA 7.00 <# 5M 5790.0 e liu908 4861
QG1 87 ILE HN 6.60 # 5M 8307.0 e liu908 4866
QG1 87 ILE HB 5.60 # 5M 22850.0 e liu908 4870
QG1 87 ILE QG2 5.20 # m 5M 134000.0 e liu908 7304
QG1 87 ILE QG1 8.00 # m w 5M .0*2e liu908 7303
QG1 87 ILE QD1 6.90 # m 5M 16340.0 e liu908 7307
QG2 6 LYS+ HN 6.30 ># 5M 11370.0 e liu908 2060
QG2 15 GLU- QG 8.00 # m w 5M 1210.0*2e liu908 4641
QG2 16 PHE QD 7.40 # r 5M 29450.0*2e liu908 4669
QG2 16 PHE QE 8.40 ># r 5M 9810.0*2e liu908 4670
QG2 17 LYS+ HA 5.80 # 5M 18550.0 e liu908 4679
QG2 18 CYS HN 5.70 # 5M 20940.0 e liu908 4683
QG2 18 CYS HA 7.00 # w 5M 5411.0 e liu908 4695
QG2 18 CYS HB2 5.30 # 5M 31320.0 e liu908 4698
QG2 18 CYS HB3 4.40 # 5M 98960.0 e liu908 4693
QG2 24 VAL HA 7.00 # w 5M 5397.0 e liu908 8185
QG2 81 PRO HA 6.50 # 5M 8906.0 e liu908 7556
QG2 81 PRO HB2 5.60 # 5M 22530.0 e liu908 7558
QG2 81 PRO HB3 6.60 # 5M 8607.0 e liu908 7559
QG2 81 PRO HG2 7.00 # w 5M 3884.0 e liu908 4706
QG2 81 PRO HG3 7.00 # w 5M 2735.0 e liu908 8561
QG2 81 PRO HD3 7.00 # w 5M 4553.0 e liu908 4707
QG2 84 ASP- HA 7.00 <# w 5M 1544.0 e liu908 4717
QG2 85 VAL HN 5.80 <# 5M 17370.0 e liu908 7015
QG2 85 VAL HB 6.20 <# 5M 11540.0 e liu908 7427
QG2 85 VAL QQG 7.30 # q 5M 47440.0*2e liu908 7431
QG2 86 VAL HA 7.00 ># w 5M 1824.0 e liu908 4863
6 LYS+
HN 6 LYS+ HA 3.90 # 2 25490.0 e liu908 43
HN 6 LYS+ HB2 3.70 # 2 35060.0 e liu908 184
HN 6 LYS+ HB3 3.40 # 2 52790.0 e liu908 183
HN 6 LYS+ HG2 4.50 # 1 3133.0 e liu908 186
HN 6 LYS+ HG3 5.00 # 1 1581.0 e liu908 185
HN 6 LYS+ QD 5.60 # m 1 2780.0*2e liu908 240
HN 6 LYS+ HE2 5.10 # 1 1440.0 e liu908 194
HN 6 LYS+ HE3 4.70 # 1 2474.0 e liu908 202
HN 7 LEU HN 4.70 # 2 7755.0 e liu908 2066
HN 7 LEU HA 6.00 # w 2 1199.0 e liu908 2077
HN 15 GLU- HA 5.80 # 4 1926.0 e liu908 4876
HN 15 GLU- QG 7.00 # m w 5 790.5*2e liu908 4877
HN 16 PHE HN 5.20 # 4 3880.0 e liu908 4891
HN 84 ASP- HA 6.00 # w 4 377.0 e liu908 4893
HN 85 VAL HN 4.40 # 4 10420.0 e liu908 4895
HN 85 VAL QQG 8.40 # w 5M 5465.0*2e liu908 4897
HN 86 VAL HN 6.00 # w 4 1331.0 e liu908 7360
HN 86 VAL HA 3.30 # 4 64630.0 e liu908 4900
HN 86 VAL HB 6.00 # w 5 327.0 e liu908 4902
HN 86 VAL QG1 7.00 ># w 5M 3352.0 e liu908 4904
HN 86 VAL QG2 6.10 <# 5M 12860.0 e liu908 4905
HN 87 ILE HN 4.30 # 4 12490.0 e liu908 4916
HN 87 ILE QG2 7.00 # w 5M 1889.0 e liu908 4918
HA 6 LYS+ HB2 3.40 # 2 58160.0 e liu908 182
HA 6 LYS+ HB3 3.60 # 2 35640.0 e liu908 181
HA 6 LYS+ HG2 3.50 # 1 15110.0 e liu908 192
HA 6 LYS+ HG3 3.00 # 1 34260.0 e liu908 191
HA 6 LYS+ QD 5.20 # m 1 4895.5*2e liu908 250
HA 6 LYS+ HE2 4.30 # 1 4158.0 e liu908 190
HA 6 LYS+ HE3 4.90 # 1 1806.0 e liu908 189
HA 7 LEU HN 2.80 # 2 182900.0 e liu908 92
HA 7 LEU HA 5.50 # 2 2851.0 e liu908 2078
HA 15 GLU- HN 6.00 # w 4 450.0 e liu908 4880
HA 15 GLU- HA 3.10 # 4 99440.0 e liu908 4879
HA 15 GLU- HB3 4.90 # 5 3523.0 e liu908 4882
HA 15 GLU- QG 5.00 # m 5 11105.0*2e liu908 4881
HA 16 PHE HN 4.10 # 4 16890.0 e liu908 4892
HA 86 VAL HA 5.50 # 4 2707.0 e liu908 4898
HB2 6 LYS+ HG2 3.20 # 1 24490.0 e liu908 225
HB2 6 LYS+ HG3 2.60 # 1 80830.0 e liu908 230
HB2 6 LYS+ QD 3.80 # m 1 53200.0*2e liu908 7019
HB2 6 LYS+ HE2 3.70 # 1 10610.0 e liu908 211
HB2 6 LYS+ HE3 3.80 # 1 9473.0 e liu908 205
HB2 7 LEU HN 4.20 # 2 16070.0 e liu908 2074
HB2 15 GLU- HA 4.60 # 5 5100.0 e liu908 4885
HB2 15 GLU- HB3 6.00 # w 5 866.0 e liu908 4887
HB2 15 GLU- QG 5.20 # m 5 8160.0*2e liu908 4889
HB2 86 VAL HA 3.90 # 5 13400.0 e liu908 4910
HB2 86 VAL QG1 5.60 # 5M 23400.0 e liu908 7375
HB2 86 VAL QG2 5.70 # 5M 20170.0 e liu908 7369
HB2 87 ILE HN 5.60 ># 5 1484.0 e liu908 4924
HB3 6 LYS+ HG2 3.00 # 1 40950.0 e liu908 235
HB3 6 LYS+ HG3 3.20 # 1 24880.0 e liu908 229
HB3 6 LYS+ QD 4.10 # m 1 29305.0*2e liu908 242
HB3 6 LYS+ HE2 5.20 # 1 1313.0 e liu908 210
HB3 6 LYS+ HE3 3.80 # 1 8886.0 e liu908 204
HB3 7 LEU HN 4.70 # 2 7647.0 e liu908 2069
HB3 86 VAL HA 3.40 # 5 31750.0 e liu908 4909
HB3 86 VAL QG1 5.80 # 5M 17930.0 e liu908 7372
HB3 86 VAL QG2 5.80 # 5M 19040.0 e liu908 7374
HB3 87 ILE HN 4.40 <# 5 6159.0 e liu908 4921
HG2 6 LYS+ QD 4.30 # m 1 22295.0*2e liu908 245
HG2 6 LYS+ HE2 3.70 # 1 9532.0 e liu908 213
HG2 6 LYS+ HE3 5.60 # 1 821.0 e liu908 207
HG2 7 LEU HN 3.40 # 5 32090.0 e liu908 2071
HG2 8 ILE HG13 3.90 # 5 12470.0 e liu908 8686
HG2 14 VAL HN 3.90 # 5 13960.0 e liu908 8570
HG2 15 GLU- HA 6.00 # w 5 317.0 e liu908 8352
HG2 15 GLU- QG 7.00 ># m w 5 219.0*2e liu908 8354
HG3 6 LYS+ QD 4.20 # m 1 24215.0*2e liu908 243
HG3 6 LYS+ HE2 4.60 # 1 2675.0 e liu908 228
HG3 6 LYS+ HE3 4.20 # 1 4453.0 e liu908 227
HG3 7 LEU HN 3.40 # 5 32210.0 e liu908 2070
HG3 14 VAL HN 3.90 # 5 13920.0 e liu908 4873
HG3 15 GLU- HA 6.00 # w 5 365.0 e liu908 4884
HG3 15 GLU- QG 5.70 <# m 5 4283.5*2e liu908 8355
HG3 86 VAL HA 6.00 # w 5 723.0 e liu908 7367
QD 6 LYS+ HE2 5.20 ># m 1 4951.5*2e liu908 239
QD 6 LYS+ HE3 4.60 <# m 1 12845.0*2e liu908 238
QD 7 LEU HN 5.50 # m 5 5680.0*2e liu908 8611
QD 7 LEU HA 5.90 # m 5 3300.0*2e liu908 8705
QD 8 ILE HN 5.90 # m 5 3339.5*2e liu908 8707
QD 13 GLU- HA 7.00 # m w 5 129.5*2e liu908 8708
QD 13 GLU- HG3 5.90 # m 5 3548.0*2e liu908 8713
QD 14 VAL HN 6.50 # m 5 1673.5*2e liu908 8714
QD 15 GLU- HN 6.40 # m 5 1971.0*2e liu908 8716
QD 15 GLU- HA 7.00 # m w 5 381.0*2e liu908 8719
QD 86 VAL HA 6.70 # m 5 1277.0*2e liu908 7368
QD 86 VAL QG1 6.90 # m 5M 16000.0*2e liu908 7378
QD 86 VAL QG2 7.50 # m 5M 9495.0*2e liu908 7379
HE3 86 VAL QG1 6.20 # 5M 12010.0 e liu908 4914
HE3 86 VAL QG2 6.60 # 5M 7997.0 e liu908 4913
7 LEU
HN 7 LEU HA 3.50 # 2 43570.0 e liu908 64
HN 7 LEU HB2 3.40 <# 2 59690.0 e liu908 258
HN 7 LEU HB3 4.20 ># 2 15050.0 e liu908 260
HN 7 LEU HG 2.90 # 1 45810.0 e liu908 259
HN 7 LEU QD1 5.30 # 1M 13640.0 e liu908 261
HN 7 LEU QD2 5.00 # 1M 20770.0 e liu908 262
HN 8 ILE HN 4.50 # 2 10120.0 e liu908 2079
HN 8 ILE HA 6.00 # w 2 564.0 e liu908 2086
HN 8 ILE HG13 5.80 # 5 1174.0 e liu908 8682
HN 13 GLU- HA 4.90 # 4 5495.0 e liu908 4925
HN 13 GLU- HG2 5.60 # 5 1434.0 e liu908 8665
HN 14 VAL HN 3.60 # 4 33730.0 e liu908 4933
HN 14 VAL HA 6.00 # w 4 1020.0 e liu908 4935
HN 14 VAL HB 5.40 # 5 1937.0 e liu908 4936
HN 14 VAL QG1 6.10 <# 5M 12930.0 e liu908 4939
HN 14 VAL QG2 7.00 ># w 5M 4724.0 e liu908 4938
HN 15 GLU- HN 5.70 # 4 2186.0 e liu908 4951
HN 15 GLU- HA 3.70 # 4 32360.0 e liu908 4953
HN 15 GLU- HB2 5.60 # 5 1488.0 e liu908 8478
HN 15 GLU- HB3 6.00 # w 5 859.0 e liu908 4960
HN 15 GLU- QG 6.00 # m 5 2960.5*2e liu908 4959
HN 16 PHE HN 5.00 # 4 4780.0 e liu908 4926
HN 16 PHE QD 7.30 # r 5 2129.5*2e liu908 4967
HN 16 PHE QE 8.00 # r w 5 405.5*2e liu908 4965
HA 7 LEU HB2 3.60 # 2 39970.0 e liu908 252
HA 7 LEU HB3 3.20 # 2 77170.0 e liu908 254
HA 7 LEU HG 3.30 # 1 22660.0 e liu908 253
HA 7 LEU QD1 5.70 ># 1M 9703.0 e liu908 255
HA 7 LEU QD2 3.70 <# 1M 137600.0 e liu908 256
HA 8 ILE HN 2.70 # 2 240600.0 e liu908 93
HA 8 ILE HA 6.00 # w 2 1564.0 e liu908 2088
HA 8 ILE HB 4.40 # 2 11280.0 e liu908 2096
HA 8 ILE QG2 7.00 # w 5M 972.0 e liu908 8729
HA 8 ILE HG13 4.60 # 5 5209.0 e liu908 8684
HA 8 ILE QG1 6.70 # m 5 1282.5*2e liu908 8733
HA 8 ILE QD1 7.00 # w 5M 2888.0 e liu908 8730
HA 9 THR HN 6.00 # w 3 1023.0 e liu908 8739
HA 9 THR QG2 6.70 # 5M 7491.0 e liu908 8727
HA 13 GLU- HA 5.10 # 4 4326.0 e liu908 8736
HA 14 VAL HN 5.10 # 4 5670.0 e liu908 4942
HA 15 GLU- HA 6.00 # 4 1605.0 e liu908 4955
HA 15 GLU- QG 7.00 # m w 5 723.5*2e liu908 4961
HA 16 PHE QE 8.00 # r w 5 339.5*2e liu908 8338
HA 86 VAL QG1 7.00 # w 5M 4605.0 e liu908 8734
HA 87 ILE HN 3.50 # 4 42650.0 e liu908 5010
HA 87 ILE HA 6.00 # w 4 388.0 e liu908 8735
HA 87 ILE QG2 4.80 # 5M 59080.0 e liu908 7313
HA 87 ILE QG1 7.00 # m w 5 600.0*2e liu908 5014
HA 87 ILE QD1 7.00 # w 5M 4805.0 e liu908 5012
HA 88 GLU- HN 6.00 # w 4 587.0 e liu908 7283
HA 88 GLU- HA 4.60 # 4 7780.0 e liu908 7281
HA 89 THR HN 5.50 # 4 2681.0 e liu908 5022
HA 89 THR QG2 5.70 # 5M 19800.0 e liu908 5025
HB2 7 LEU HG 2.70 # 1 68440.0 e liu908 274
HB2 7 LEU QD1 3.60 # 1M 143000.0 e liu908 271
HB2 7 LEU QD2 3.90 # 1M 88640.0 e liu908 289
HB2 8 ILE HN 4.70 # 2 8148.0 e liu908 2081
HB2 14 VAL HN 3.90 <# 5 14260.0 e liu908 4944
HB2 14 VAL QG1 5.10 # 5M 40260.0 e liu908 8858
HB2 14 VAL QG2 5.70 # 5M 20820.0 e liu908 8856
HB2 16 PHE QE 7.80 # r 5 1173.0*2e liu908 8476
HB2 87 ILE QG2 6.90 # 5M 6427.0 e liu908 7315
HB2 89 THR QG2 5.50 # 5M 26150.0 e liu908 5026
HB3 7 LEU HG 3.00 # 1 37740.0 e liu908 275
HB3 7 LEU QD1 4.10 # 1M 73300.0 e liu908 286
HB3 7 LEU QD2 3.80 # 1M 110400.0 e liu908 291
HB3 8 ILE HN 4.10 # 2 18310.0 e liu908 2092
HB3 14 VAL HN 5.00 ># 5 3149.0 e liu908 4945
HB3 14 VAL QG1 6.30 # 5M 11140.0 e liu908 8860
HB3 14 VAL QG2 6.50 # 5M 9145.0 e liu908 8861
HB3 16 PHE QE 8.00 # r w 5 763.5*2e liu908 8340
HB3 87 ILE QG2 6.10 # 5M 13020.0 e liu908 7321
HB3 87 ILE QD1 6.00 # 5M 17750.0 e liu908 5016
HB3 89 THR QG2 7.00 # w 5M .0 e liu908 7251
HG 7 LEU QD1 3.70 # 1M 124800.0 e liu908 276
HG 7 LEU QD2 3.80 # 1M 107300.0 e liu908 277
HG 8 ILE HN 5.60 # 5 1431.0 e liu908 2082
HG 14 VAL HN 6.00 # w 5 788.0 e liu908 4950
HG 15 GLU- HA 5.50 # 5 1752.0 e liu908 4963
HG 16 PHE HN 5.80 # 5 1153.0 e liu908 4969
HG 16 PHE HB3 5.60 # 5 1528.0 e liu908 4985
HG 16 PHE QD 5.00 # r 5 66950.0*2e liu908 4971
HG 16 PHE QE 6.00 # r 5 11280.0*2e liu908 4970
HG 87 ILE QG2 6.10 # 5M 13750.0 e liu908 7316
QD1 8 ILE HN 7.00 ># 5M 6017.0 e liu908 2085
QD1 9 THR HN 7.00 # w 5M 799.0 e liu908 2110
QD1 15 GLU- HA 7.00 ># w 5M 142.0 e liu908 8742
QD1 16 PHE QD 8.20 # r 5M 11840.0*2e liu908 4974
QD1 16 PHE QE 7.60 # r 5M 21540.0*2e liu908 4980
QD1 28 ALA HA 7.00 # w 5M 2371.0 e liu908 4991
QD1 28 ALA QB 5.50 <# m 5M 88060.0 e liu908 4993
QD1 35 ILE HG12 7.00 # w 5M 964.0 e liu908 8449
QD1 35 ILE HG13 6.70 # 5M 7305.0 e liu908 8448
QD1 35 ILE QD1 5.00 # m 5M 169100.0 e liu908 8942
QD1 87 ILE QG2 6.50 # m 5M 25000.0 e liu908 7317
QD1 87 ILE QD1 7.90 # m 5M 6562.0 e liu908 7318
QD1 89 THR HA 7.00 # w 5M 3350.0 e liu908 7250
QD1 89 THR QG2 5.80 # m 5M 55310.0 e liu908 7253
QD1 89 THR HG1 7.00 # w 5M 4958.0 e liu908 6901
QD2 8 ILE HN 5.40 <# 5M 27590.0 e liu908 2084
QD2 14 VAL HN 7.00 # w 5M 5277.0 e liu908 4949
QD2 15 GLU- HA 7.00 <# w 5M 475.0 e liu908 8358
QD2 16 PHE QD 8.00 # r 5M 14100.0*2e liu908 4979
QD2 16 PHE QE 8.40 # r 5M 9785.0*2e liu908 4978
QD2 28 ALA QB 6.80 ># m 5M 17540.0 e liu908 4992
QD2 35 ILE HG12 7.00 # w 5M 291.0 e liu908 8005
QD2 35 ILE HG13 7.00 # w 5M 2193.0 e liu908 8006
QD2 35 ILE QD1 5.60 # m 5M 77440.0 e liu908 8944
QD2 87 ILE HN 7.00 # w 5M 2827.0 e liu908 8775
QD2 89 THR HA 7.00 # w 5M 3469.0 e liu908 5032
8 ILE
HN 8 ILE HA 3.70 # 2 30700.0 e liu908 10
HN 8 ILE HB 3.20 # 2 76280.0 e liu908 294
HN 8 ILE QG2 5.60 # 1M 10630.0 e liu908 302
HN 8 ILE HG12 3.90 ># 1 7694.0 e liu908 301
HN 8 ILE HG13 3.10 <# 1 32660.0 e liu908 328
HN 8 ILE QD1 6.10 # 1M 6096.0 e liu908 321
HN 9 THR HN 4.70 # 2 7475.0 e liu908 2097
HN 9 THR HA 5.40 # 2 3481.0 e liu908 2104
HN 13 GLU- HA 4.70 # 4 6786.0 e liu908 5068
HN 87 ILE HN 4.30 # 4 11890.0 e liu908 5063
HN 87 ILE QG2 6.30 # 5M 11290.0 e liu908 7325
HN 87 ILE QD1 7.00 # w 5M 1564.0 e liu908 5064
HN 88 GLU- HN 5.40 # 4 3020.0 e liu908 5043
HN 88 GLU- HA 3.30 # 4 58770.0 e liu908 5045
HN 88 GLU- HB2 5.10 # 5 2768.0 e liu908 5049
HN 88 GLU- HG2 5.00 <# 5 3046.0 e liu908 7285
HN 88 GLU- HG3 6.00 ># w 5 829.0 e liu908 5050
HN 89 THR HN 3.90 # 4 23470.0 e liu908 5037
HN 89 THR QG2 5.60 # 5M 23080.0 e liu908 5040
HN 89 THR HG1 4.90 # 5 3195.0 e liu908 7261
HA 8 ILE HB 3.90 # 2 23570.0 e liu908 303
HA 8 ILE QG2 4.40 # 1M 45580.0 e liu908 309
HA 8 ILE HG12 3.20 # 1 22960.0 e liu908 306
HA 8 ILE HG13 3.50 # 1 13330.0 e liu908 8681
HA 8 ILE QD1 5.60 # 1M 10040.0 e liu908 320
HA 9 THR HN 2.80 # 2 182900.0 e liu908 94
HA 9 THR HA 5.20 # 2 4095.0 e liu908 2114
HA 9 THR HG1 4.60 # 5 4652.0 e liu908 2113
HA 12 GLY HN 5.20 # 3 5050.0 e liu908 9153
HA 13 GLU- HN 5.20 # 4 4013.0 e liu908 5076
HA 13 GLU- HA 3.50 # 4 45500.0 e liu908 5070
HA 13 GLU- HB2 5.20 # 5 2386.0 e liu908 8477
HA 13 GLU- HB3 4.70 # 5 4576.0 e liu908 5073
HA 13 GLU- HG2 4.40 # 5 6299.0 e liu908 8667
HA 14 VAL HN 4.20 # 4 14140.0 e liu908 8607
HA 88 GLU- HA 6.00 # w 4 1404.0 e liu908 5052
HA 89 THR HN 6.00 # w 4 332.0 e liu908 5041
HB 8 ILE QG2 4.10 # 1M 65280.0 e liu908 310
HB 8 ILE HG12 3.00 # 1 39490.0 e liu908 304
HB 8 ILE HG13 3.00 # 1 35780.0 e liu908 326
HB 8 ILE QD1 4.10 # 1M 67950.0 e liu908 319
HB 9 THR HN 5.60 # 2 2746.0 e liu908 2107
HB 9 THR HA 6.00 # w 2 309.0 e liu908 8722
HB 86 VAL QG1 6.80 # 5M 6877.0 e liu908 7383
HB 87 ILE HN 6.00 # 5 1011.0 e liu908 7323
HB 88 GLU- HN 5.20 # 5 2235.0 e liu908 5055
HB 88 GLU- HA 4.00 # 5 12130.0 e liu908 5053
HB 89 THR HN 4.80 # 5 3700.0 e liu908 7257
QG2 8 ILE HG12 4.20 # 1M 57120.0 e liu908 311
QG2 8 ILE HG13 3.90 # 1M 89630.0 e liu908 330
QG2 8 ILE QD1 4.40 # m 1M 222100.0 e liu908 316
QG2 9 THR HN 5.50 # 5M 24590.0 e liu908 2102
QG2 9 THR HA 7.00 # w 5M 4608.0 e liu908 8720
QG2 10 PRO HA 5.90 # 5M 19800.0 e liu908 9137
QG2 12 GLY HN 7.00 # w 5M 1450.0 e liu908 5091
QG2 13 GLU- HN 7.00 # w 5M 3071.0 e liu908 8396
QG2 13 GLU- HA 6.50 # 5M 8694.0 e liu908 5083
QG2 13 GLU- HG3 6.90 # 5M 6085.0 e liu908 5087
QG2 88 GLU- HA 5.20 # 5M 36860.0 e liu908 5057
QG2 88 GLU- HG2 6.50 # 5M 9125.0 e liu908 7286
QG2 88 GLU- HG3 7.00 # 5M 6017.0 e liu908 7292
HG12 8 ILE QD1 3.30 # s 1M 317000.0 e liu908 315
HG12 9 THR HN 5.00 <# 5 3152.0 e liu908 2101
HG12 13 GLU- HN 6.00 # w 5 525.0 e liu908 8397
HG12 13 GLU- HA 5.00 # 5 2953.0 e liu908 5080
HG12 13 GLU- HG3 4.40 # 5 6590.0 e liu908 5082
HG12 86 VAL QG1 5.40 # 5M 28790.0 e liu908 7382
HG13 8 ILE QD1 3.50 # 1M 164100.0 e liu908 323
HG13 9 THR HN 6.00 ># w 5 933.0 e liu908 8688
HG13 13 GLU- HA 5.70 # 5 1309.0 e liu908 8689
HG13 13 GLU- HB2 6.00 # w 5 720.0 e liu908 8694
HG13 13 GLU- HB3 5.20 # 5 2278.0 e liu908 8696
HG13 13 GLU- HG2 3.90 # 5 13750.0 e liu908 8692
HG13 13 GLU- HG3 4.90 # 5 3541.0 e liu908 8690
HG13 14 VAL HN 5.50 # 5 1735.0 e liu908 8697
HG13 86 VAL QG1 5.00 # 5M 43480.0 e liu908 8699
HG13 87 ILE HN 4.50 # 5 5464.0 e liu908 8702
HG13 87 ILE QD1 7.00 # w 5M 1147.0 e liu908 8703
HG13 88 GLU- HA 4.10 # 5 10130.0 e liu908 5059
QD1 9 THR HN 7.00 # w 5M 1850.0 e liu908 2103
QD1 13 GLU- HA 7.00 # w 5M 5469.0 e liu908 5084
QD1 13 GLU- HG2 5.90 # 5M 16530.0 e liu908 8869
QD1 13 GLU- HG3 6.50 # 5M 8668.0 e liu908 5089
QD1 86 VAL HA 7.00 # w 5M .0 e liu908 7381
QD1 86 VAL QG1 8.00 # m w 5M .0 e liu908 7384
QD1 87 ILE HN 7.00 # w 5M 1068.0 e liu908 7322
QD1 88 GLU- HA 6.50 # 5M 9421.0 e liu908 5058
QD1 88 GLU- HG2 6.10 <# 5M 12780.0 e liu908 7287
QD1 88 GLU- HG3 7.00 ># w 5M 2891.0 e liu908 7293
9 THR
HN 9 THR HA 3.60 # 2 40730.0 e liu908 70
HN 9 THR HB 4.90 # 2 6071.0 e liu908 340
HN 9 THR QG2 4.00 # 1M 82240.0 e liu908 341
HN 9 THR HG1 3.10 # 1 32210.0 e liu908 336
HN 10 PRO HA 5.90 # 2 1837.0 e liu908 9138
HN 10 PRO HD3 5.70 # 5 1334.0 e liu908 2128
HN 11 ASP- HN 5.30 # 3 4473.0 e liu908 5093
HN 11 ASP- HB2 5.50 # 3 3675.0 e liu908 8413
HN 12 GLY HN 4.00 # 3 23860.0 e liu908 5108
HN 12 GLY HA1 5.20 # 3 5161.0 e liu908 8408
HN 12 GLY HA2 6.00 # w 3 .0 e liu908 8483
HN 13 GLU- HN 5.00 # 3 6388.0 e liu908 5116
HN 13 GLU- HA 3.70 # 3 40620.0 e liu908 5118
HN 13 GLU- HB2 5.70 # 3 2962.0 e liu908 8392
HN 13 GLU- HG2 4.10 # 5 10660.0 e liu908 8870
HN 13 GLU- HG3 4.50 # 5 5833.0 e liu908 8390
HN 14 VAL HN 4.80 # 4 6058.0 e liu908 5122
HN 88 GLU- HA 6.00 # w 4 1212.0 e liu908 5128
HN 89 THR HN 6.00 # w 4 .0 e liu908 5133
HN 89 THR HG1 5.00 # 5 2859.0 e liu908 6881
HA 9 THR HB 3.20 # 2 86260.0 e liu908 332
HA 9 THR QG2 3.90 # 1M 85950.0 e liu908 343
HA 9 THR HG1 4.90 # 1 1781.0 e liu908 338
HA 10 PRO HA 6.00 # 2 1684.0 e liu908 9140
HA 10 PRO HB2 6.00 # w 2 1018.0 e liu908 2138
HA 10 PRO HB3 6.00 # w 2 1614.0 e liu908 2134
HA 10 PRO HG2 4.70 # 5 4442.0 e liu908 8569
HA 10 PRO HG3 4.30 # 5 7588.0 e liu908 2136
HA 10 PRO HD2 2.90 # 5 74100.0 e liu908 2130
HA 10 PRO HD3 2.70 # 5 141200.0 e liu908 2126
HA 11 ASP- HN 4.80 # 3 8622.0 e liu908 95
HA 12 GLY HN 5.40 # 3 4124.0 e liu908 5106
HA 13 GLU- HA 6.00 # w 3 1556.0 e liu908 8388
HA 88 GLU- HA 6.00 # w 4 1021.0 e liu908 5130
HA 88 GLU- HB3 6.00 # w 5 422.0 e liu908 7295
HA 89 THR HN 3.90 # 4 23560.0 e liu908 5134
HA 89 THR HB 5.70 # 5 1387.0 e liu908 5137
HA 89 THR QG2 6.50 # 5M 8923.0 e liu908 5139
HA 89 THR HG1 3.60 # 5 22410.0 e liu908 6883
HA 90 HIS QB 6.10 # m 5 2663.5*2e liu908 5142
HA 90 HIS HE1 4.40 # 5 6769.0 e liu908 5149
HB 9 THR QG2 3.60 # 1M 144100.0 e liu908 333
HB 9 THR HG1 3.10 # 1 32380.0 e liu908 335
HB 10 PRO HA 6.00 # w 2 186.0 e liu908 9141
HB 10 PRO HB2 5.90 # 5 1113.0 e liu908 2137
HB 10 PRO HB3 6.00 # w 5 627.0 e liu908 2133
HB 10 PRO HG3 5.20 # 5 2427.0 e liu908 2135
HB 10 PRO HD2 2.60 # 5 154900.0 e liu908 2129
HB 10 PRO HD3 3.00 # 5 70830.0 e liu908 2123
HB 11 ASP- HN 3.90 # 3 30120.0 e liu908 8485
HB 11 ASP- HB2 4.70 # 5 4200.0 e liu908 5099
HB 12 GLY HN 4.20 # 3 18680.0 e liu908 9154
HB 89 THR HG1 3.90 # 5 12940.0 e liu908 6885
HB 90 HIS HE1 3.60 # 5 20540.0 e liu908 5150
QG2 9 THR HG1 4.40 # 1M 45430.0 e liu908 339
QG2 10 PRO HD2 5.20 # 5M 35670.0 e liu908 8563
QG2 10 PRO HD3 5.60 # 5M 23480.0 e liu908 8562
QG2 11 ASP- HN 7.00 # w 5M 3090.0 e liu908 8855
QG2 12 GLY HN 6.70 # 5M 7692.0 e liu908 5105
QG2 13 GLU- HA 6.60 # 5M 8314.0 e liu908 8381
QG2 13 GLU- HB2 7.00 ># w 5M 3169.0 e liu908 8382
QG2 13 GLU- HB3 6.40 <# 5M 9901.0 e liu908 8384
QG2 88 GLU- HA 7.00 # w 5M 2353.0 e liu908 5132
QG2 89 THR HN 6.50 # 5M 9204.0 e liu908 5136
QG2 89 THR HG1 6.20 # 5M 12200.0 e liu908 6887
QG2 90 HIS QB 7.10 # m 5M 13765.0*2e liu908 5144
QG2 90 HIS HD1 6.70 # 5M 7645.0 e liu908 5145
QG2 90 HIS HE1 5.70 # 5M 21130.0 e liu908 5151
HG1 10 PRO HA 6.00 # w 5 543.0 e liu908 9142
HG1 10 PRO HD2 4.70 # 5 4504.0 e liu908 2131
HG1 10 PRO HD3 5.40 # 5 1891.0 e liu908 2119
HG1 11 ASP- HN 3.50 # 5 24850.0 e liu908 5092
HG1 11 ASP- HA 5.00 # 5 3080.0 e liu908 8412
HG1 11 ASP- HB2 4.30 <# 5 7592.0 e liu908 5101
HG1 11 ASP- HB3 5.40 ># 5 1826.0 e liu908 5097
HG1 12 GLY HN 3.30 # 5 36140.0 e liu908 5107
HG1 12 GLY HA1 5.70 # 5 1340.0 e liu908 8410
HG1 12 GLY HA2 5.00 # 5 2856.0 e liu908 8482
HG1 13 GLU- HN 6.00 # w 5 823.0 e liu908 8393
HG1 13 GLU- HA 5.70 # 5 1332.0 e liu908 5119
HG1 14 VAL HN 6.00 # w 5 358.0 e liu908 5120
HG1 14 VAL QG1 7.00 # w 5M 1390.0 e liu908 8549
HG1 14 VAL QG2 7.00 # w 5M 852.0 e liu908 5124
HG1 89 THR HG1 6.00 # w 5 641.0 e liu908 6891
HG1 90 HIS HE1 6.00 # w 5 695.0 e liu908 5148
10 PRO
HA 10 PRO HB2 3.70 ># 2 32590.0 e liu908 359
HA 10 PRO HB3 3.00 <# 2 120600.0 e liu908 358
HA 10 PRO HG2 3.80 # 1 9430.0 e liu908 361
HA 10 PRO HG3 3.80 # 1 8583.0 e liu908 356
HA 10 PRO HD2 4.20 # 1 5132.0 e liu908 349
HA 10 PRO HD3 4.20 # 1 5085.0 e liu908 348
HA 11 ASP- HN 3.90 # 2 24770.0 e liu908 2141
HA 11 ASP- HA 5.80 # 2 2176.0 e liu908 2144
HA 11 ASP- HB2 6.00 # w 2 1582.0 e liu908 9143
HA 12 GLY HN 4.20 # 3 18560.0 e liu908 5156
HA 12 GLY HA1 6.00 # w 3 580.0 e liu908 9145
HA 13 GLU- HN 6.00 # w 3 481.0 e liu908 9146
HB2 10 PRO HG2 2.50 # 1 102600.0 e liu908 375
HB2 10 PRO HG3 3.00 # 1 34310.0 e liu908 374
HB2 10 PRO HD2 3.50 # 1 13420.0 e liu908 372
HB2 10 PRO HD3 3.80 # 1 8286.0 e liu908 371
HB2 11 ASP- HN 4.10 # 2 16910.0 e liu908 2146
HB2 11 ASP- HA 5.20 # 2 3969.0 e liu908 9147
HB2 11 ASP- HB2 5.80 # 5 1247.0 e liu908 9148
HB2 12 GLY HN 6.00 # w 3 1656.0 e liu908 5155
HB3 10 PRO HG2 2.90 # 1 42550.0 e liu908 384
HB3 10 PRO HG3 2.50 # 1 109900.0 e liu908 383
HB3 10 PRO HD2 4.00 # 1 6686.0 e liu908 382
HB3 10 PRO HD3 3.90 # 1 7448.0 e liu908 386
HB3 11 ASP- HN 4.70 # 2 7413.0 e liu908 2148
HB3 90 HIS QB 7.00 # m w 5 96.0*2e liu908 9149
HG2 10 PRO HD2 2.80 # 1 53980.0 e liu908 367
HG2 10 PRO HD3 2.90 # 1 41860.0 e liu908 366
HG2 11 ASP- HN 4.50 <# 5 5585.0 e liu908 2145
HG3 10 PRO HD2 2.80 # 1 50840.0 e liu908 377
HG3 10 PRO HD3 2.70 # 1 65570.0 e liu908 376
HG3 11 ASP- HN 5.80 ># 5 1241.0 e liu908 2147
HG3 90 HIS HD1 6.00 # w 5 269.0 e liu908 5167
HD2 11 ASP- HN 3.50 <# 5 24600.0 e liu908 2140
HD2 12 GLY HN 5.20 <# 5 2277.0 e liu908 5154
HD2 89 THR HG1 4.20 # 5 8708.0 e liu908 6907
HD2 90 HIS HD1 4.50 <# 5 7123.0 e liu908 5168
HD2 90 HIS HE1 3.70 # 5 19200.0 e liu908 5173
HD2 91 LYS+ QE 7.00 # m w 5 414.0*2e liu908 7201
HD3 11 ASP- HN 4.40 ># 5 6287.0 e liu908 2139
HD3 12 GLY HN 6.00 ># w 5 909.0 e liu908 5153
HD3 89 THR HG1 3.60 # 5 20650.0 e liu908 6908
HD3 90 HIS HD1 5.30 ># 5 2026.0 e liu908 5169
11 ASP-
HN 11 ASP- HA 3.60 # 2 36360.0 e liu908 13
HN 11 ASP- HB2 2.90 <# 2 130100.0 e liu908 394
HN 11 ASP- HB3 4.00 ># 2 21580.0 e liu908 387
HN 12 GLY HN 2.80 # 2 198500.0 e liu908 2154
HN 12 GLY HA1 4.70 <# 2 8043.0 e liu908 8401
HN 12 GLY HA2 5.40 ># 2 3209.0 e liu908 8400
HN 13 GLU- HN 5.40 # 3 4077.0 e liu908 5176
HA 11 ASP- HB2 4.70 ># 2 8063.0 e liu908 390
HA 11 ASP- HB3 3.10 <# 2 91910.0 e liu908 389
HA 12 GLY HN 4.20 # 2 15320.0 e liu908 102
HA 12 GLY HA1 6.00 <# w 2 1363.0 e liu908 8402
HA 12 GLY HA2 6.00 ># w 2 534.0 e liu908 9152
HA 13 GLU- HN 6.00 # w 3 923.0 e liu908 8369
HB2 12 GLY HN 3.70 <# 2 31830.0 e liu908 2156
HB2 12 GLY HA2 6.00 # w 2 1530.0 e liu908 8486
HB2 13 GLU- HN 4.80 # 3 7871.0 e liu908 8371
HB3 12 GLY HN 5.10 ># 2 4830.0 e liu908 2155
HB3 12 GLY HA1 5.70 # 2 2386.0 e liu908 8403
HB3 12 GLY HA2 5.50 # 2 3046.0 e liu908 8404
HB3 13 GLU- HN 5.00 # 3 6728.0 e liu908 8373
12 GLY
HN 12 GLY HA1 3.20 # 2 77960.0 e liu908 60
HN 12 GLY HA2 3.50 # 2 47220.0 e liu908 61
HN 13 GLU- HN 5.00 # 2 5574.0 e liu908 2160
HN 13 GLU- HA 5.70 # 2 2455.0 e liu908 2159
HA1 13 GLU- HN 3.30 # 2 71600.0 e liu908 103
HA1 13 GLU- HA 6.00 <# w 2 1646.0 e liu908 2166
HA1 13 GLU- HB2 5.00 # 2 5180.0 e liu908 9156
HA1 13 GLU- HB3 6.00 # w 2 983.0 e liu908 8484
HA1 13 GLU- HG3 5.40 # 5 1856.0 e liu908 8368
HA2 13 GLU- HN 3.70 # 2 35190.0 e liu908 104
HA2 13 GLU- HA 6.00 ># w 2 406.0 e liu908 2162
13 GLU-
HN 13 GLU- HA 3.70 # 2 34490.0 e liu908 57
HN 13 GLU- HB2 3.50 # 2 46380.0 e liu908 403
HN 13 GLU- HB3 4.00 # 2 19410.0 e liu908 404
HN 13 GLU- HG2 4.00 ># 1 6812.0 e liu908 8651
HN 13 GLU- HG3 3.00 <# 1 34720.0 e liu908 402
HN 14 VAL HN 4.50 # 2 10360.0 e liu908 2167
HN 14 VAL HA 6.00 # w 2 1604.0 e liu908 8362
HA 13 GLU- HB2 3.50 # 2 46400.0 e liu908 415
HA 13 GLU- HB3 3.30 # 2 67070.0 e liu908 418
HA 13 GLU- HG2 3.00 # 1 33840.0 e liu908 8650
HA 13 GLU- HG3 3.40 # 1 16000.0 e liu908 412
HA 14 VAL HN 2.70 # 2 205300.0 e liu908 105
HA 14 VAL HA 5.90 # 2 2006.0 e liu908 2176
HA 14 VAL HB 6.00 # w 2 1575.0 e liu908 8364
HA 14 VAL QG1 6.00 <# 5M 14990.0 e liu908 2177
HA 14 VAL QG2 7.00 ># w 5M 1835.0 e liu908 2178
HB2 13 GLU- HG2 3.10 # 1 32310.0 e liu908 8661
HB2 13 GLU- HG3 3.00 # 1 33600.0 e liu908 416
HB2 14 VAL HN 4.40 # 2 10930.0 e liu908 2173
HB3 13 GLU- HG2 2.80 # 1 55960.0 e liu908 8658
HB3 13 GLU- HG3 3.10 # 1 32970.0 e liu908 419
HB3 14 VAL HN 3.90 # 2 22400.0 e liu908 2171
HG2 14 VAL HN 4.20 <# 5 8949.0 e liu908 8663
HG2 15 GLU- HN 5.70 # 5 1321.0 e liu908 8668
HG3 14 VAL HN 5.00 ># 5 3098.0 e liu908 2175
14 VAL
HN 14 VAL HA 3.80 # 2 27020.0 e liu908 44
HN 14 VAL HB 4.20 # 2 15500.0 e liu908 421
HN 14 VAL QG1 4.20 <# 1M 55160.0 e liu908 422
HN 14 VAL QG2 5.10 ># 1M 18430.0 e liu908 427
HN 15 GLU- HN 4.70 # 2 7769.0 e liu908 2181
HN 15 GLU- HA 5.10 # 2 4561.0 e liu908 2182
HN 33 ILE QD1 7.00 # w 5M 5136.0 e liu908 8808
HA 14 VAL HB 3.30 # 2 64540.0 e liu908 431
HA 14 VAL QG1 4.80 # 1M 25280.0 e liu908 434
HA 14 VAL QG2 4.90 # 1M 23560.0 e liu908 436
HA 15 GLU- HN 3.50 # 2 159500.0 e liu908 106
HA 15 GLU- HA 5.70 # 2 2304.0 e liu908 2195
HA 15 GLU- HB2 6.00 # w 2 1068.0 e liu908 8351
HB 14 VAL QG1 4.10 # 1M 70510.0 e liu908 432
HB 14 VAL QG2 4.00 # 1M 79070.0 e liu908 433
HB 15 GLU- HN 4.60 # 2 9117.0 e liu908 2186
HB 15 GLU- HA 6.00 # w 2 1550.0 e liu908 2191
QG1 15 GLU- HN 5.40 <# 5M 26370.0 e liu908 2189
QG1 15 GLU- HA 7.00 <# w 5M 4953.0 e liu908 2192
QG1 16 PHE QD 8.70 ># r 5M 7255.0*2e liu908 8334
QG1 33 ILE HA 7.00 <# w 5M 2722.0 e liu908 8039
QG1 33 ILE HB 7.00 ># w 5M 2851.0 e liu908 8041
QG2 15 GLU- HN 7.00 ># w 5M 3499.0 e liu908 2185
QG2 15 GLU- HA 7.00 ># w 5M 403.0 e liu908 2193
QG2 16 PHE HB3 7.00 # w 5M 2327.0 e liu908 8336
QG2 16 PHE QD 7.50 <# r 5M 24850.0*2e liu908 8335
QG2 33 ILE HA 7.00 ># w 5M 575.0 e liu908 8040
QG2 33 ILE HB 6.10 <# 5M 13770.0 e liu908 8042
15 GLU-
HN 15 GLU- HA 3.60 # 2 35620.0 e liu908 27
HN 15 GLU- HB2 3.60 # 2 41760.0 e liu908 446
HN 15 GLU- HB3 4.00 # 2 20780.0 e liu908 445
HN 15 GLU- QG 4.80 # m 1 8375.0*2e liu908 444
HN 16 PHE HN 4.50 # 2 9884.0 e liu908 2199
HN 16 PHE HA 6.00 # w 2 410.0 e liu908 2216
HN 16 PHE HB3 6.00 # w 2 85.0 e liu908 8330
HN 16 PHE QD 7.50 # r 5 1754.0*2e liu908 2207
HA 15 GLU- HB2 3.60 # 2 40980.0 e liu908 441
HA 15 GLU- HB3 3.30 # 2 59950.0 e liu908 440
HA 15 GLU- QG 3.90 # i 1 20420.0*2e liu908 442
HA 16 PHE HN 2.80 # 2 187400.0 e liu908 107
HA 16 PHE HA 5.20 # 2 4265.0 e liu908 2212
HA 16 PHE HB2 6.00 # w 2 1217.0 e liu908 2215
HA 16 PHE HB3 6.00 # w 2 1187.0 e liu908 2214
HA 16 PHE QD 6.40 # r 5 6630.0*2e liu908 2211
HA 16 PHE QE 8.00 # r w 5 448.0*2e liu908 2210
HB2 15 GLU- QG 3.70 # m 1 67500.0*2e liu908 452
HB2 16 PHE HN 4.80 ># 2 6681.0 e liu908 2206
HB2 16 PHE HA 6.00 # w 2 60.0 e liu908 8319
HB3 15 GLU- QG 3.70 # m 1 68300.0*2e liu908 451
HB3 16 PHE HN 3.80 <# 2 27780.0 e liu908 2201
HB3 16 PHE HA 6.00 # w 2 67.0 e liu908 8318
HB3 16 PHE QD 6.20 # r 5 9175.0*2e liu908 8326
QG 16 PHE HN 4.50 # m 5 25375.0*2e liu908 2202
QG 16 PHE HA 7.00 # m w 5 228.0*2e liu908 8317
QG 16 PHE QD 6.70 # mr 5 19000.0*4e liu908 8321
QG 16 PHE QE 9.00 # mr 5 1016.0*4e liu908 8324
16 PHE
HN 16 PHE HA 3.50 # 2 42820.0 e liu908 4
HN 16 PHE HB2 4.80 # 2 6769.0 e liu908 463
HN 16 PHE HB3 4.60 # 2 9171.0 e liu908 459
HN 16 PHE QD 5.60 # r 1 12930.0*2e liu908 480
HN 16 PHE QE 6.30 # m 1 1209.5*2e liu908 476
HN 17 LYS+ HN 4.80 # 2 6973.0 e liu908 2218
HN 17 LYS+ HA 5.40 # 2 3225.0 e liu908 2220
HA 16 PHE HB2 3.00 # 2 110300.0 e liu908 468
HA 16 PHE HB3 3.00 # 2 124500.0 e liu908 466
HA 16 PHE QD 4.50 # m 1 13720.0*2e liu908 473
HA 16 PHE QE 5.90 # i 1 1146.5*2e liu908 477
HA 17 LYS+ HN 3.00 # 2 117800.0 e liu908 108
HA 17 LYS+ HA 6.00 # w 2 140.0 e liu908 8276
HA 17 LYS+ HB2 6.00 # w 2 1373.0 e liu908 2228
HA 17 LYS+ HB3 6.00 # w 2 1549.0 e liu908 2230
HA 17 LYS+ QG 6.70 # m 5 1417.0*2e liu908 2231
HA 17 LYS+ HD3 5.60 # 5 1558.0 e liu908 2229
HA 17 LYS+ QE 7.00 # m w 5 243.5*2e liu908 8279
HA 31 GLU- QB 7.00 # m w 5 92.0*2e liu908 8086
HB2 16 PHE QD 4.80 # r 1 58350.0*2e liu908 485
HB2 16 PHE QE 6.90 # r 1 1785.0*2e liu908 484
HB2 17 LYS+ HN 3.10 <# 2 88930.0 e liu908 2222
HB2 17 LYS+ HA 6.00 <# w 2 829.0 e liu908 8277
HB2 17 LYS+ HB2 5.70 # 5 1305.0 e liu908 8479
HB2 17 LYS+ QG 7.00 # m w 5 403.0*2e liu908 8280
HB2 17 LYS+ HD3 6.00 # w 5 289.0 e liu908 8284
HB2 18 CYS HN 6.00 # w 3 168.0 e liu908 8275
HB2 28 ALA HA 5.10 # 5 2765.0 e liu908 8128
HB2 31 GLU- HN 6.00 # w 5 355.0 e liu908 8081
HB2 31 GLU- QB 7.00 ># m w 5 489.5*2e liu908 8088
HB2 33 ILE HG12 6.00 # w 5 673.0 e liu908 8817
HB2 33 ILE QD1 7.00 # w 5M 4267.0 e liu908 8812
HB3 16 PHE QD 4.90 # r 1 48050.0*2e liu908 483
HB3 16 PHE QE 6.60 # r 1 2612.0*2e liu908 478
HB3 17 LYS+ HN 4.10 ># 2 16480.0 e liu908 2221
HB3 17 LYS+ HA 6.00 ># w 2 321.0 e liu908 8278
HB3 28 ALA HA 4.90 # 5 3340.0 e liu908 8126
HB3 31 GLU- QB 5.10 <# m 5 9920.0*2e liu908 8087
HB3 33 ILE HB 6.00 # 5 987.0 e liu908 8818
HB3 33 ILE HG12 5.20 # 5 2335.0 e liu908 8816
HB3 33 ILE HG13 5.10 # 5 2747.0 e liu908 8819
HB3 33 ILE QD1 6.80 # 5M 6998.0 e liu908 8811
QD 16 PHE QE 6.90 # rr 1 42925.0*4e liu908 471
QD 17 LYS+ HN 6.20 # r 5 8715.0*2e liu908 2217
QD 17 LYS+ HA 7.00 # r 5 3099.5*2e liu908 2223
QD 18 CYS HN 6.70 # r 5 4186.5*2e liu908 5179
QD 18 CYS HA 7.40 # r 5 1924.0*2e liu908 5183
QD 18 CYS HB2 5.90 # r 5 13480.0*2e liu908 5184
QD 18 CYS HB3 6.00 # r 5 11560.0*2e liu908 5189
QD 24 VAL HA 6.40 # r 5 6375.0*2e liu908 5214
QD 24 VAL QG1 7.20 <# r 5M 35775.0*2e liu908 5211
QD 24 VAL QG2 8.30 ># r 5M 11380.0*2e liu908 5209
QD 28 ALA HN 6.30 # r 5 7450.0*2e liu908 8123
QD 28 ALA HA 5.20 # r 5 41690.0*2e liu908 5190
QD 28 ALA QB 7.40 # r 5M 28960.0*2e liu908 5191
QD 30 GLU- QG 9.00 # rmw 5 445.8*4e liu908 9015
QD 31 GLU- HN 7.90 # r 5 1141.0*2e liu908 8077
QD 31 GLU- HA 8.00 # r w 5 650.5*2e liu908 8083
QD 31 GLU- QB 9.00 # rmw 5 256.2*4e liu908 8092
QD 31 GLU- HG3 5.80 # r 5 15760.0*2e liu908 9010
QD 33 ILE HB 8.00 # r 5 943.0*2e liu908 8031
QD 33 ILE QG2 8.40 # r 5M 10080.0*2e liu908 8035
QD 33 ILE QD1 6.80 # r 5M 54700.0*2e liu908 8810
QE 18 CYS HB2 6.60 # r 5 5195.0*2e liu908 5187
QE 24 VAL HA 6.40 # r 5 6055.0*2e liu908 5215
QE 24 VAL QG1 7.30 <# r 5M 31910.0*2e liu908 5210
QE 24 VAL QG2 8.80 ># r 5M 6610.0*2e liu908 5208
QE 27 GLN QB 8.40 # rm 5 1775.5*4e liu908 9039
QE 27 GLN QG 9.00 # rmw 5 682.0*4e liu908 9036
QE 28 ALA HN 6.30 # r 5 7695.0*2e liu908 5195
QE 28 ALA HA 5.80 # r 5 16270.0*2e liu908 5192
QE 28 ALA QB 7.20 # r 5M 33295.0*2e liu908 5193
QE 31 GLU- HN 8.00 # r w 5 295.5*2e liu908 8078
QE 31 GLU- HG3 8.00 # r w 5 692.0*2e liu908 9014
QE 33 ILE HB 8.00 # r w 5 342.0*2e liu908 8030
QE 33 ILE QG2 8.40 # r 5M 10410.0*2e liu908 8036
17 LYS+
HN 17 LYS+ HA 3.60 # 2 35720.0 e liu908 54
HN 17 LYS+ HB2 3.10 <# 2 91310.0 e liu908 488
HN 17 LYS+ HB3 4.00 ># 2 20410.0 e liu908 490
HN 17 LYS+ QG 4.80 # m 1 9440.0*2e liu908 491
HN 17 LYS+ HD2 5.50 ># 1 920.0 e liu908 494
HN 17 LYS+ HD3 3.40 <# 1 18740.0 e liu908 498
HN 17 LYS+ QE 7.00 # m w 1 198.5*2e liu908 487
HN 18 CYS HN 4.90 # 2 5653.0 e liu908 2250
HA 17 LYS+ HB2 3.60 # 2 38730.0 e liu908 511
HA 17 LYS+ HB3 3.40 # 2 52320.0 e liu908 523
HA 17 LYS+ QG 4.00 # i 1 16485.0*2e liu908 534
HA 17 LYS+ HD2 3.40 # 1 17190.0 e liu908 517
HA 17 LYS+ HD3 3.60 # 1 11800.0 e liu908 530
HA 17 LYS+ QE 7.00 # m w 1 296.5*2e liu908 505
HA 18 CYS HN 2.80 # 2 198900.0 e liu908 110
HA 18 CYS HB2 6.00 # w 2 1343.0 e liu908 8261
HB2 17 LYS+ QG 3.90 # m 1 41795.0*2e liu908 516
HB2 17 LYS+ HD2 4.00 # 1 6656.0 e liu908 519
HB2 17 LYS+ HD3 3.00 # 1 36280.0 e liu908 532
HB2 17 LYS+ QE 7.00 ># m w 1 426.0*2e liu908 512
HB2 18 CYS HN 4.50 ># 2 9706.0 e liu908 2251
HB3 17 LYS+ QG 4.10 # m 1 28070.0*2e liu908 538
HB3 17 LYS+ HD2 4.20 # 1 4925.0 e liu908 526
HB3 17 LYS+ HD3 3.60 # 1 11860.0 e liu908 527
HB3 17 LYS+ QE 5.00 <# m 1 6930.0*2e liu908 508
HB3 18 CYS HN 3.90 <# 2 24670.0 e liu908 2247
HB3 18 CYS HA 6.00 # w 2 1514.0 e liu908 8256
QG 17 LYS+ HD2 4.10 # m 1 31190.0*2e liu908 522
QG 17 LYS+ HD3 3.70 # m 1 64450.0*2e liu908 539
QG 17 LYS+ QE 6.30 # mm 1 4002.5*4e liu908 535
QG 18 CYS HN 6.40 # m 5 1896.0*2e liu908 2249
QG 18 CYS HA 7.00 # m w 5 158.0*2e liu908 8260
HD2 17 LYS+ QE 4.70 # m 1 10880.0*2e liu908 507
HD2 18 CYS HN 5.20 # 5 2319.0 e liu908 2246
HD3 17 LYS+ QE 4.30 # m 1 20655.0*2e liu908 509
HD3 18 CYS HN 5.00 # 5 2952.0 e liu908 2254
18 CYS
HN 18 CYS HA 4.90 # 2 5896.0 e liu908 34
HN 18 CYS HB2 3.80 # 2 25910.0 e liu908 2236
HN 18 CYS HB3 3.40 # 2 51950.0 e liu908 2235
HN 19 ASP- HN 4.60 # 2 8764.0 e liu908 2260
HN 19 ASP- HA 5.30 # 2 3742.0 e liu908 2259
HN 24 VAL QG1 7.00 # w 5M 373.0 e liu908 8180
HN 81 PRO HG2 6.00 ># w 5 356.0 e liu908 5507
HN 81 PRO HG3 5.20 <# 5 2220.0 e liu908 5511
HA 18 CYS HB2 3.30 # 2 68170.0 e liu908 2238
HA 18 CYS HB3 3.50 # 2 46460.0 e liu908 2239
HA 19 ASP- HN 3.70 # 2 33140.0 e liu908 2258
HA 19 ASP- HA 5.00 # 2 5577.0 e liu908 2263
HA 22 VAL QG1 6.40 # 5M 10070.0 e liu908 5504
HA 22 VAL QG2 6.60 # 5M 8178.0 e liu908 5503
HA 24 VAL HA 5.60 # 4 2469.0 e liu908 5525
HA 27 GLN QG 6.30 # m 5 2128.5*2e liu908 6853
HA 81 PRO HG2 4.30 # 5 7593.0 e liu908 5514
HA 81 PRO HG3 4.40 # 5 6947.0 e liu908 5513
HA 81 PRO HD2 6.00 # w 5 206.0 e liu908 5509
HA 81 PRO HD3 6.00 # w 5 .0 e liu908 5516
HB2 19 ASP- HN 4.80 # 2 7114.0 e liu908 2266
HB2 24 VAL HA 5.20 # 5 2467.0 e liu908 5529
HB2 28 ALA QB 7.00 # w 5M 4384.0 e liu908 8130
HB2 81 PRO HG2 4.20 # 5 8703.0 e liu908 7572
HB2 81 PRO HG3 3.70 # 5 19540.0 e liu908 7571
HB3 19 ASP- HN 5.00 # 2 5572.0 e liu908 2257
HB3 19 ASP- HA 6.00 # w 2 425.0 e liu908 8254
HB3 24 VAL HA 5.60 # 5 1430.0 e liu908 5527
HB3 24 VAL QG1 6.70 # 5M 7422.0 e liu908 8176
HB3 81 PRO HB3 4.00 # 5 10730.0 e liu908 7568
HB3 81 PRO HG2 4.40 # 5 6811.0 e liu908 5521
HB3 81 PRO HG3 3.50 # 5 25560.0 e liu908 5522
HB3 81 PRO HD3 5.80 # 5 1240.0 e liu908 5523
19 ASP-
HN 19 ASP- HA 3.80 # 2 28510.0 e liu908 58
HN 19 ASP- HB2 3.10 <# 2 95100.0 e liu908 545
HN 19 ASP- HB3 3.80 ># 2 34760.0 e liu908 544
HN 20 ASP- HN 4.90 # 2 6272.0 e liu908 2267
HN 21 ASP- HN 5.40 # 3 4242.0 e liu908 5551
HN 22 VAL HN 5.50 # 3 3602.0 e liu908 5533
HN 22 VAL HB 4.10 # 3 22640.0 e liu908 8211
HN 22 VAL QG1 5.80 # 5M 18390.0 e liu908 5538
HN 22 VAL QG2 5.70 # 5M 20990.0 e liu908 5539
HN 27 GLN HE21 5.20 # 5 2808.0 e liu908 8443
HN 81 PRO HG3 5.20 # 5 2385.0 e liu908 5553
HA 19 ASP- HB2 3.80 # 2 25760.0 e liu908 550
HA 19 ASP- HB3 3.50 # 2 45980.0 e liu908 548
HA 20 ASP- HN 3.00 # 2 120700.0 e liu908 109
HA 20 ASP- HA 6.00 # w 2 218.0 e liu908 8228
HA 20 ASP- HB3 6.00 # w 2 718.0 e liu908 8229
HA 21 ASP- HN 4.70 # 3 9492.0 e liu908 6814
HA 22 VAL HN 6.00 # w 3 1500.0 e liu908 8206
HB2 20 ASP- HN 4.20 ># 2 14900.0 e liu908 2271
HB2 21 ASP- HN 3.30 # 3 77970.0 e liu908 6817
HB2 21 ASP- HA 5.60 # 3 3217.0 e liu908 6819
HB2 22 VAL HN 4.40 # 3 13650.0 e liu908 2274
HB2 22 VAL HB 3.40 <# 5 32880.0 e liu908 8207
HB2 22 VAL QG1 4.80 # 5M 53500.0 e liu908 5549
HB2 22 VAL QG2 5.00 # 5M 45590.0 e liu908 5547
HB3 20 ASP- HN 3.40 <# 2 64880.0 e liu908 2270
# nov8 HB3 20 ASP- HN 3.30 <# 2 64880.0 e liu908 2270
HB3 20 ASP- HB3 6.00 # w 5 83.0 e liu908 8230
HB3 21 ASP- HN 3.60 # 3 49490.0 e liu908 6820
HB3 21 ASP- HA 6.00 # w 3 1528.0 e liu908 6818
HB3 22 VAL HN 5.00 # 3 6314.0 e liu908 5536
HB3 22 VAL HB 4.50 ># 5 5829.0 e liu908 5541
HB3 22 VAL QG1 5.40 # 5M 27190.0 e liu908 5543
HB3 22 VAL QG2 7.00 # w 5M 4162.0 e liu908 5542
20 ASP-
HN 20 ASP- HA 3.60 # 2 36440.0 e liu908 66
HN 20 ASP- HB2 3.70 # 2 33640.0 e liu908 556
HN 20 ASP- HB3 3.90 # 2 22700.0 e liu908 555
HN 21 ASP- HN 3.30 # 2 67490.0 e liu908 6826
HN 21 ASP- HA 6.00 # w 2 1100.0 e liu908 8214
HN 21 ASP- HB2 4.90 <# 2 5744.0 e liu908 8221
HN 21 ASP- HB3 6.00 ># w 2 455.0 e liu908 8219
HN 22 VAL HN 5.50 # 3 3567.0 e liu908 2277
HN 22 VAL HB 6.00 # w 3 595.0 e liu908 8220
HA 20 ASP- HB2 3.10 # 2 99210.0 e liu908 554
HA 20 ASP- HB3 3.00 # 2 113600.0 e liu908 553
HA 21 ASP- HN 4.50 # 2 9995.0 e liu908 6830
HA 22 VAL HN 4.90 # 3 7092.0 e liu908 2276
HA 22 VAL QG1 7.00 # w 5M 1001.0 e liu908 5562
HA 80 TYR HA 5.80 # 4 1919.0 e liu908 5563
HA 80 TYR HB3 4.10 # 5 9468.0 e liu908 5565
HA 80 TYR QD 8.00 # r w 5 635.5*2e liu908 5566
HA 81 PRO HB3 6.00 # w 5 703.0 e liu908 7573
HA 81 PRO HG2 3.30 <# 5 35220.0 e liu908 5569
HA 81 PRO HG3 5.70 ># 5 1373.0 e liu908 5568
HA 81 PRO HD2 4.60 # 5 4774.0 e liu908 5571
HA 81 PRO HD3 4.80 # 5 3694.0 e liu908 5570
HB2 21 ASP- HN 4.40 # 2 10890.0 e liu908 6829
HB2 21 ASP- HA 5.50 # 2 2963.0 e liu908 8216
HB2 82 THR HA 4.70 # 5 4487.0 e liu908 7523
HB2 82 THR HB 6.00 # w 5 .0 e liu908 7528
HB2 82 THR QG2 5.20 <# 5M 36440.0 e liu908 5586
HB3 80 TYR QD 8.00 # r w 5 736.5*2e liu908 5567
HB3 81 PRO HG2 5.60 # 5 1534.0 e liu908 7574
HB3 82 THR HA 4.40 # 5 6593.0 e liu908 7522
HB3 82 THR QG2 7.00 ># w 5M 5055.0 e liu908 5585
21 ASP-
HN 21 ASP- HA 3.50 # 2 49560.0 e liu908 6802
HN 21 ASP- HB2 4.20 # 2 15920.0 e liu908 6804
HN 21 ASP- HB3 4.00 # 2 19610.0 e liu908 6806
HN 22 VAL HN 3.10 # 2 105900.0 e liu908 5613
HN 22 VAL HA 5.50 # 2 2968.0 e liu908 8197
HN 22 VAL HB 5.30 # 2 3873.0 e liu908 8203
HN 80 TYR HA 6.00 # w 4 594.0 e liu908 6832
HN 80 TYR QD 6.50 # r 5 5530.0*2e liu908 6835
HN 80 TYR QE 7.80 # r 5 1233.5*2e liu908 6833
HA 21 ASP- HB2 3.20 # 2 85250.0 e liu908 6813
HA 21 ASP- HB3 2.90 # 2 138900.0 e liu908 6810
HA 22 VAL HN 3.70 # 2 34160.0 e liu908 5612
HA 22 VAL HA 5.90 # 2 1927.0 e liu908 8199
HA 80 TYR HB3 5.40 # 5 1797.0 e liu908 6842
HA 80 TYR QD 5.60 # r 5 22350.0*2e liu908 6837
HA 80 TYR QE 5.90 # r 5 13375.0*2e liu908 6838
HB2 22 VAL HN 4.30 <# 2 13580.0 e liu908 5617
HB2 22 VAL HA 6.00 # 2 1783.0 e liu908 8202
HB2 80 TYR QD 7.40 ># r 5 1798.0*2e liu908 6847
HB2 80 TYR QE 7.50 # r 5 1640.0*2e liu908 6848
HB3 22 VAL HN 5.10 ># 2 4677.0 e liu908 5611
HB3 80 TYR QD 6.50 <# r 5 5725.0*2e liu908 6844
HB3 80 TYR QE 7.30 # r 5 1985.5*2e liu908 6846
22 VAL
HN 22 VAL HA 3.50 # 2 49890.0 e liu908 73
HN 22 VAL HB 3.10 # 2 87900.0 e liu908 567
HN 22 VAL QG1 4.30 <# 1M 49700.0 e liu908 579
HN 22 VAL QG2 5.20 ># 1M 16080.0 e liu908 568
HN 23 TYR HN 4.60 # 2 8201.0 e liu908 2302
HN 80 TYR HA 5.00 # 4 4841.0 e liu908 5589
HN 80 TYR HB3 5.80 # 5 1180.0 e liu908 5594
HN 80 TYR QD 5.40 # r 5 29050.0*2e liu908 5590
HN 80 TYR QE 6.30 # r 5 7060.0*2e liu908 2317
HN 81 PRO HG2 4.80 # 5 3968.0 e liu908 5606
HN 81 PRO HD2 4.00 <# 5 11230.0 e liu908 5604
HN 81 PRO HD3 5.00 ># 5 2966.0 e liu908 5603
HA 22 VAL HB 3.50 # 2 45540.0 e liu908 563
HA 22 VAL QG1 3.90 # 1M 95400.0 e liu908 565
HA 22 VAL QG2 3.90 # 1M 95460.0 e liu908 564
HA 23 TYR HN 2.90 # 2 134300.0 e liu908 2304
HA 23 TYR QB 6.20 # m 2 3918.0*2e liu908 8194
HA 23 TYR QD 8.00 # r w 5 233.5*2e liu908 2315
HA 26 ASP- HB2 5.80 # 3 2663.0 e liu908 8157
HA 80 TYR QD 6.80 # r 5 3632.5*2e liu908 5595
HA 80 TYR QE 5.60 # r 5 21390.0*2e liu908 2314
HB 22 VAL QG1 3.30 # s 1M 262000.0 e liu908 580
HB 22 VAL QG2 3.50 # 1M 189900.0 e liu908 574
HB 23 TYR HN 5.00 # 2 5363.0 e liu908 2305
HB 80 TYR QE 8.00 # r 5 1017.5*2e liu908 2308
QG1 23 TYR HN 6.10 ># 5M 13880.0 e liu908 2307
QG1 23 TYR QB 7.70 # m 5M 7765.0*2e liu908 8195
QG1 23 TYR QD 9.00 ># r w 5M 194.0*2e liu908 2331
QG1 26 ASP- HN 7.00 ># w 5M 3661.0 e liu908 5625
QG1 26 ASP- HB2 6.20 # 5M 12140.0 e liu908 5621
QG1 26 ASP- HB3 5.30 # 5M 32510.0 e liu908 5629
QG1 27 GLN HN 4.90 # 5M 47420.0 e liu908 6856
QG1 27 GLN HA 6.80 ># 5M 6659.0 e liu908 6860
QG1 80 TYR QD 7.40 <# r 5M 29120.0*2e liu908 5599
QG1 80 TYR QE 9.00 # r w 5M 3788.0*2e liu908 2310
QG2 23 TYR HN 4.70 <# 5M 65380.0 e liu908 2326
QG2 23 TYR QD 9.00 <# r w 5M 907.0*2e liu908 2328
QG2 24 VAL HN 7.00 # w 5M 4225.0 e liu908 8168
QG2 24 VAL HA 7.00 # 5M 5973.0 e liu908 8170
QG2 26 ASP- HN 6.10 <# 5M 12900.0 e liu908 5618
QG2 26 ASP- HB2 4.90 # 5M 53250.0 e liu908 5620
QG2 26 ASP- HB3 4.80 # 5M 54140.0 e liu908 5626
QG2 27 GLN HN 4.90 # 5M 53300.0 e liu908 6858
QG2 27 GLN HA 5.80 <# 5M 18150.0 e liu908 6859
QG2 28 ALA HN 7.00 # w 5M 4331.0 e liu908 8908
QG2 80 TYR QD 8.70 ># r 5M 7345.0*2e liu908 5598
QG2 80 TYR QE 9.00 # r w 5M 2051.0*2e liu908 2309
QG2 81 PRO HD2 7.00 # w 5M 345.0 e liu908 5609
23 TYR
HN 23 TYR HA 3.70 # 2 32410.0 e liu908 2280
HN 23 TYR QB 4.10 # i 2 48275.0*2e liu908 2282
HN 23 TYR QD 5.70 # r 1 10770.0*2e liu908 2288
HN 23 TYR QE 6.50 # m 1 889.5*2e liu908 6867
HN 24 VAL HN 4.90 # 2 6104.0 e liu908 2337
HN 24 VAL QG2 7.00 # w 5M 1230.0 e liu908 2339
HN 25 LEU HN 6.00 # w 3 127.0 e liu908 9042
HN 26 ASP- HN 5.30 # 3 4387.0 e liu908 5630
HN 26 ASP- HB2 4.30 <# 3 16200.0 e liu908 5632
HN 26 ASP- HB3 5.20 ># 3 5166.0 e liu908 7357
HN 27 GLN HN 5.80 # 3 2538.0 e liu908 6868
HN 80 TYR HA 6.00 # w 4 241.0 e liu908 7615
HN 80 TYR QD 6.10 # r 5 9340.0*2e liu908 5641
HN 80 TYR QE 5.80 # r 5 14870.0*2e liu908 2292
HA 23 TYR QB 5.60 # m 2 8250.0*2e liu908 7024
HA 23 TYR QD 4.80 # m 1 9470.0*2e liu908 2287
HA 23 TYR QE 6.60 # i w 1 425.5*2e liu908 2286
HA 24 VAL HN 3.30 # 2 69700.0 e liu908 2334
HA 24 VAL HA 5.10 # 2 4783.0 e liu908 8164
HA 25 LEU HN 6.00 # w 3 1293.0 e liu908 9041
HA 26 ASP- HN 6.00 # w 3 671.0 e liu908 5633
HA 80 TYR HA 4.40 # 4 10390.0 e liu908 3280
HA 80 TYR QD 5.80 # r 5 15260.0*2e liu908 7623
HA 80 TYR QE 6.90 # r 5 3175.0*2e liu908 9044
QB 23 TYR QD 6.20 # mr 1 23730.0*4e liu908 2299
QB 23 TYR QE 8.10 # mr 1 1437.5*4e liu908 2298
QB 24 VAL HN 5.40 # m 2 11190.0*2e liu908 2333
QB 24 VAL HA 7.00 # m w 2 1506.5*2e liu908 8166
QB 25 LEU HN 7.00 # m w 3 1427.0*2e liu908 8162
QB 25 LEU HB2 7.00 # m w 5 175.0*2e liu908 9043
QB 26 ASP- HN 5.20 # m 3 19845.0*2e liu908 8148
QB 26 ASP- HA 6.60 # m 3 3414.5*2e liu908 8149
QB 79 ALA HN 6.20 # m 5 2378.5*2e liu908 7642
QB 80 TYR HA 7.00 # m w 5 334.0*2e liu908 7617
QD 23 TYR QE 7.10 # rr 1 27850.0*4e liu908 2290
QD 24 VAL HN 6.20 # r 5 9180.0*2e liu908 2335
QD 25 LEU HN 8.00 # r w 5 849.5*2e liu908 8160
QD 25 LEU HA 8.00 # r w 5 274.5*2e liu908 9040
QD 26 ASP- HN 6.90 # r 5 3433.5*2e liu908 5639
QD 26 ASP- HB2 8.00 # r 5 956.0*2e liu908 5635
QD 79 ALA HN 7.20 # r 5 2394.0*2e liu908 7643
QD 79 ALA HA 8.00 # r w 5 615.5*2e liu908 5651
QD 79 ALA QB 9.00 # r w 5M 582.0*2e liu908 5652
QD 80 TYR HN 7.00 # r 5 3077.0*2e liu908 5645
QD 80 TYR HA 7.30 # r 5 2030.5*2e liu908 5647
QD 80 TYR HB2 8.00 <# r w 5 808.0*2e liu908 7618
QD 80 TYR HB3 8.00 ># r w 5 153.0*2e liu908 7622
QD 80 TYR QD 8.60 # rr 5 4650.0*4e liu908 5642
QD 80 TYR QE 8.50 # rr 5 5335.0*4e liu908 7645
QE 24 VAL HN 8.00 # r w 5 237.5*2e liu908 2336
QE 58 GLN HA 8.00 # r w 5 260.5*2e liu908 7952
QE 60 ASP- HN 8.00 # r w 5 252.5*2e liu908 7934
QE 60 ASP- QB 9.00 # rmw 5 694.2*4e liu908 7935
QE 78 HIS HA 6.50 # r 5 6015.0*2e liu908 8750
QE 79 ALA HN 7.40 # r 5 1905.5*2e liu908 7650
QE 79 ALA HA 8.00 # r w 5 87.0*2e liu908 7651
QE 79 ALA QB 9.00 # r w 5M 86.0*2e liu908 8751
QE 80 TYR HN 8.00 # r 5 1011.5*2e liu908 7613
QE 80 TYR HA 8.00 # r w 5 55.0*2e liu908 7616
QE 80 TYR QD 9.50 # rr 5 1592.2*4e liu908 7624
QE 80 TYR QE 8.10 # rr 5 9985.0*4e liu908 7646
24 VAL
HN 24 VAL HA 3.40 # 2 53130.0 e liu908 14
HN 24 VAL HB 3.50 # 2 49300.0 e liu908 592
HN 24 VAL QG1 5.10 ># 1M 17990.0 e liu908 588
HN 24 VAL QG2 3.80 <# 1M 110900.0 e liu908 595
HN 25 LEU HN 4.30 # 2 13020.0 e liu908 2349
HN 26 ASP- HN 5.80 # 3 2723.0 e liu908 5654
HN 79 ALA HN 5.10 # 4 4301.0 e liu908 5656
HN 79 ALA HA 6.00 # w 4 346.0 e liu908 7659
HN 79 ALA QB 6.30 # 5M 10580.0 e liu908 5658
HN 80 TYR HN 6.00 # w 4 1218.0 e liu908 5661
HN 80 TYR HA 4.30 # 4 16800.0 e liu908 5662
HN 80 TYR QD 7.90 # r 5 1111.0*2e liu908 5664
HN 81 PRO HD2 5.40 ># 5 1892.0 e liu908 5676
HN 81 PRO HD3 4.30 <# 5 7677.0 e liu908 5675
HA 24 VAL HB 3.60 # 2 36100.0 e liu908 582
HA 24 VAL QG1 4.00 # 1M 78150.0 e liu908 584
HA 24 VAL QG2 3.80 # 1M 104400.0 e liu908 583
HA 25 LEU HN 4.80 # 2 6972.0 e liu908 2354
HA 26 ASP- HN 5.50 # 3 3487.0 e liu908 8144
HA 27 GLN HN 4.50 # 3 11560.0 e liu908 6864
HA 27 GLN QG 6.50 # m 5 1646.5*2e liu908 6865
HA 28 ALA HN 4.70 # 3 9285.0 e liu908 8132
HA 28 ALA QB 5.40 # 3M 3101.0 e liu908 8134
HA 80 TYR HA 6.00 # w 4 249.0 e liu908 5666
HA 81 PRO HD2 6.00 ># w 5 124.0 e liu908 7589
HA 81 PRO HD3 5.20 <# 5 2433.0 e liu908 5678
HB 24 VAL QG1 3.90 # 1M 92200.0 e liu908 599
HB 24 VAL QG2 4.00 # 1M 81390.0 e liu908 596
HB 25 LEU HN 4.30 # 2 13060.0 e liu908 2351
HB 26 ASP- HN 6.00 # w 3 364.0 e liu908 8146
HB 79 ALA HN 6.00 # w 5 184.0 e liu908 7654
QG1 25 LEU HN 6.50 # 5M 9248.0 e liu908 2358
QG1 28 ALA HN 6.30 # 5M 10620.0 e liu908 5691
QG1 28 ALA HA 6.40 # 5M 9550.0 e liu908 8451
QG1 28 ALA QB 6.90 # m 5M 17060.0 e liu908 8136
QG1 80 TYR HA 7.00 ># w 5M 1852.0 e liu908 5668
QG1 81 PRO HA 7.00 # w 5M 5069.0 e liu908 7576
QG1 81 PRO HB3 5.30 # 5M 30580.0 e liu908 7579
QG1 81 PRO HG3 7.00 # w 5M 3925.0 e liu908 7583
QG1 81 PRO HD2 7.00 # w 5M 363.0 e liu908 7591
QG1 81 PRO HD3 7.00 # w 5M 4130.0 e liu908 5681
QG1 87 ILE QG2 6.20 # m 5M 33900.0 e liu908 8467
QG1 87 ILE QD1 7.80 # m 5M 6845.0 e liu908 8468
QG2 25 LEU HN 7.00 # 5M 5752.0 e liu908 2352
QG2 26 ASP- HN 7.00 # w 5M 276.0 e liu908 8147
QG2 35 ILE QD1 7.00 # m 5M 14120.0 e liu908 8946
QG2 56 ILE HG13 6.60 # 5M 8458.0 e liu908 7976
QG2 79 ALA HN 7.00 # w 5M 700.0 e liu908 7655
QG2 79 ALA HA 7.00 # w 5M 1880.0 e liu908 7660
QG2 80 TYR HA 5.90 <# 5M 15620.0 e liu908 5667
QG2 80 TYR HB2 6.70 # 5M 7237.0 e liu908 5673
QG2 80 TYR HB3 6.50 # 5M 9158.0 e liu908 5674
QG2 81 PRO HA 6.30 # 5M 10510.0 e liu908 8466
QG2 81 PRO HB2 7.00 # w 5M 3446.0 e liu908 7595
QG2 81 PRO HB3 7.00 # w 5M 3554.0 e liu908 7578
QG2 81 PRO HG2 7.00 # w 5M 666.0 e liu908 7581
QG2 81 PRO HG3 7.00 # w 5M 2826.0 e liu908 7582
QG2 81 PRO HD2 6.50 # 5M 9084.0 e liu908 5685
QG2 81 PRO HD3 5.00 # 5M 45170.0 e liu908 5680
QG2 87 ILE QG2 6.30 # m 5M 31220.0 e liu908 7340
QG2 87 ILE QD1 8.00 # m w 5M 3020.0 e liu908 7339
25 LEU
HN 25 LEU HA 4.40 # 2 11560.0 e liu908 2343
HN 25 LEU HB2 4.70 # 2 7951.0 e liu908 2348
HN 26 ASP- HN 3.70 # 2 33250.0 e liu908 2359
HN 28 ALA HN 6.00 # w 3 797.0 e liu908 5693
HN 79 ALA HN 6.00 # w 4 1407.0 e liu908 7661
HA 25 LEU HB2 4.50 # 2 9355.0 e liu908 2346
HA 26 ASP- HN 4.40 # 2 12190.0 e liu908 2361
HA 28 ALA HN 4.50 # 3 11530.0 e liu908 5696
HA 28 ALA QB 3.60 # 3M 39330.0 e liu908 5694
HA 29 GLU- HN 4.70 # 3 9923.0 e liu908 5698
HA 35 ILE QG2 7.00 # w 5M 377.0 e liu908 8948
HA 35 ILE QD1 5.30 # 5M 32770.0 e liu908 8947
HB2 26 ASP- HN 4.60 # 2 10680.0 e liu908 2362
HB2 26 ASP- HA 6.00 # w 2 235.0 e liu908 8145
HB2 29 GLU- HN 6.00 # w 3 385.0 e liu908 8912
HB2 35 ILE HN 6.00 # 5 997.0 e liu908 8928
HB2 37 TYR QD 8.00 # r w 5 459.0*2e liu908 8991
26 ASP-
HN 26 ASP- HA 3.50 # 2 47280.0 e liu908 77
HN 26 ASP- HB2 3.10 # 2 88810.0 e liu908 601
HN 26 ASP- HB3 3.50 # 2 47600.0 e liu908 610
HN 27 GLN HN 3.20 # 2 82790.0 e liu908 2379
HN 27 GLN HA 5.90 # 2 1964.0 e liu908 2384
HN 27 GLN QB 6.40 # m 2 3466.0*2e liu908 8143
HN 28 ALA HN 4.90 # 3 7630.0 e liu908 5700
HN 28 ALA QB 5.70 # 3M 2307.0 e liu908 5703
HN 29 GLU- HN 6.00 # w 3 1606.0 e liu908 5710
HN 29 GLU- QB 7.00 # m w 3 1623.0*2e liu908 9020
HA 26 ASP- HB2 3.40 # 2 56540.0 e liu908 604
HA 26 ASP- HB3 3.00 # 2 116300.0 e liu908 605
HA 27 GLN HN 3.90 # 2 23120.0 e liu908 2378
HA 27 GLN HA 6.00 # w 2 1219.0 e liu908 2385
HA 28 ALA HN 4.70 # 3 9961.0 e liu908 5705
HA 28 ALA QB 6.00 # 3M 1637.0 e liu908 5704
HA 29 GLU- HN 4.30 # 3 16730.0 e liu908 5711
HA 29 GLU- QB 5.50 # m 3 11700.0*2e liu908 5714
HA 30 GLU- HN 4.80 # 3 8142.0 e liu908 6786
HB2 27 GLN HN 3.50 # 2 43390.0 e liu908 2377
HB2 27 GLN HA 5.50 # 2 2923.0 e liu908 8138
HB3 27 GLN HN 3.10 # 2 97100.0 e liu908 2376
HB3 27 GLN HA 4.80 # 2 6604.0 e liu908 8141
27 GLN
HN 27 GLN HA 4.00 # 2 21690.0 e liu908 2365
HN 27 GLN QB 4.20 # i 2 36905.0*2e liu908 2367
HN 27 GLN QG 4.30 # m 1 21380.0*2e liu908 2366
HN 28 ALA HN 3.20 # 2 85520.0 e liu908 2390
HN 28 ALA QB 5.30 # 2M 3670.0 e liu908 2398
HN 29 GLU- HN 4.90 # 3 7318.0 e liu908 8114
HN 30 GLU- HN 5.60 # 3 3353.0 e liu908 8102
HA 27 GLN QB 4.90 # m 2 24525.0*2e liu908 2374
HA 27 GLN QG 4.20 # i 1 12815.0*2e liu908 2370
HA 28 ALA HN 4.10 # 2 16430.0 e liu908 2389
HA 28 ALA HA 6.00 # 2 1820.0 e liu908 8118
HA 29 GLU- HN 5.80 # 3 2534.0 e liu908 8115
HA 30 GLU- HN 3.80 # 3 31560.0 e liu908 6794
HA 30 GLU- QB 4.70 # m 3 39515.0*2e liu908 6797
HA 30 GLU- QG 5.20 # m 5 9095.0*2e liu908 6796
HA 31 GLU- HN 5.20 # 3 5273.0 e liu908 8075
QB 27 GLN QG 4.50 # mm 1 107525.0*4e liu908 2375
QB 27 GLN HE21 4.30 <# m 1 21250.0*2e liu908 6721
QB 27 GLN HE22 5.20 ># m 1 4736.0*2e liu908 6739
QB 28 ALA HN 4.80 # m 2 27630.0*2e liu908 6717
QB 28 ALA HA 6.60 # m 2 2763.5*2e liu908 8120
QB 30 GLU- HN 6.70 # m 3 2813.5*2e liu908 8445
QG 27 GLN HE21 4.70 # m 1 11035.0*2e liu908 6744
QG 28 ALA HN 5.40 # m 5 11850.0*2e liu908 6731
QG 30 GLU- HN 7.00 # m w 5 548.0*2e liu908 8104
28 ALA
HN 28 ALA HA 3.20 # 2 86310.0 e liu908 24
HN 28 ALA QB 3.30 # s 2M 147800.0 e liu908 616
HN 29 GLU- HN 3.20 # 2 76170.0 e liu908 2400
HN 29 GLU- QB 6.50 # m 2 2849.5*2e liu908 8105
HN 29 GLU- HG3 6.00 # w 5 529.0 e liu908 8111
HN 30 GLU- HN 4.60 # 3 10160.0 e liu908 6790
HN 31 GLU- HN 6.00 # w 3 1319.0 e liu908 5716
HN 33 ILE HB 6.00 # w 5 662.0 e liu908 8910
HN 33 ILE QG2 7.00 # w 5M 1781.0 e liu908 5724
HN 33 ILE QD1 7.00 # w 5M 995.0 e liu908 8821
HA 28 ALA QB 3.30 # s 2M 186100.0 e liu908 614
HA 29 GLU- HN 3.60 # 2 40760.0 e liu908 2401
HA 29 GLU- HA 6.00 # w 2 1614.0 e liu908 2405
HA 30 GLU- HN 5.30 # 3 4681.0 e liu908 6793
HA 31 GLU- HN 4.00 # 3 23490.0 e liu908 5717
HA 31 GLU- QB 5.50 # m 3 11685.0*2e liu908 8066
HA 31 GLU- HG2 4.20 # 5 8640.0 e liu908 8074
HA 31 GLU- HG3 4.30 # 5 7627.0 e liu908 8595
HA 33 ILE HN 4.50 # 4 9862.0 e liu908 5726
HA 33 ILE HB 3.90 # 5 13430.0 e liu908 5727
HA 33 ILE QG2 6.90 # 5M 6321.0 e liu908 5730
HA 33 ILE HG13 3.50 # 5 23850.0 e liu908 8822
HA 33 ILE QD1 4.80 # 5M 59260.0 e liu908 8024
QB 29 GLU- HN 3.30 # s 2M 93740.0 e liu908 2402
QB 29 GLU- HA 4.50 # 2M 9675.0 e liu908 2408
QB 29 GLU- QB 8.00 # m w 5M 3097.0*2e liu908 8107
QB 29 GLU- HG3 7.00 # w 5M 877.0 e liu908 8110
QB 30 GLU- HN 5.40 # 3M 3102.0 e liu908 6791
QB 31 GLU- HN 5.30 # 3M 3633.0 e liu908 5720
QB 31 GLU- QB 8.00 # m w 5M 4649.0*2e liu908 8068
QB 31 GLU- HG2 7.00 <# w 5M 4540.0 e liu908 8072
QB 31 GLU- HG3 7.00 ># w 5M 1498.0 e liu908 8599
QB 32 GLY HN 5.70 # 3M 2712.0 e liu908 8913
QB 33 ILE HN 5.30 # 5M 32980.0 e liu908 5731
QB 33 ILE HB 4.50 # 5M 84080.0 e liu908 5733
QB 33 ILE QG2 5.20 # m 5M 125100.0 e liu908 5738
QB 33 ILE HG12 6.40 ># 5M 10190.0 e liu908 8028
QB 33 ILE HG13 4.50 <# 5M 81410.0 e liu908 8825
QB 33 ILE QD1 4.70 # m 5M 279100.0 e liu908 5735
QB 34 ASP- HN 6.60 # 5M 8356.0 e liu908 5739
QB 35 ILE HN 7.00 # w 5M 3506.0 e liu908 8926
QB 35 ILE QD1 5.50 # m 5M 87730.0 e liu908 8951
29 GLU-
HN 29 GLU- HA 3.30 # 2 69040.0 e liu908 15
HN 29 GLU- QB 3.70 # i 2 91650.0*2e liu908 633
HN 29 GLU- HG2 3.80 ># 1 9485.0 e liu908 630
HN 29 GLU- HG3 3.10 <# 1 29840.0 e liu908 621
HN 30 GLU- HN 3.40 # 2 59050.0 e liu908 6764
HN 30 GLU- QB 7.00 # m w 2 877.5*2e liu908 8096
HN 31 GLU- HN 4.80 # 3 8414.0 e liu908 5742
HN 32 GLY HN 6.00 # w 3 801.0 e liu908 8053
HN 33 ILE HN 5.70 # 3 2813.0 e liu908 5751
HN 33 ILE HB 6.00 # w 3 188.0 e liu908 8023
HA 29 GLU- QB 4.40 # m 2 51050.0*2e liu908 619
HA 29 GLU- HG2 3.50 ># 1 15310.0 e liu908 618
HA 29 GLU- HG3 3.00 <# 1 40180.0 e liu908 620
HA 30 GLU- HN 3.70 # 2 34740.0 e liu908 6766
HA 31 GLU- HN 4.50 # 3 12660.0 e liu908 5744
HA 31 GLU- QB 7.00 # m w 3 574.0*2e liu908 5746
HA 32 GLY HN 3.90 # 3 29760.0 e liu908 5749
HA 32 GLY HA1 5.50 # 3 3569.0 e liu908 8056
HA 33 ILE HN 3.90 # 3 29700.0 e liu908 5753
HA 33 ILE HA 5.50 # 3 3658.0 e liu908 8021
HA 33 ILE HB 6.00 # w 3 1909.0 e liu908 5756
HA 33 ILE QD1 7.00 # w 5M 2802.0 e liu908 8826
HA 34 ASP- HN 5.30 # 4 3605.0 e liu908 5763
HA 34 ASP- HA 5.20 # 4 3961.0 e liu908 5762
HA 34 ASP- HB2 6.00 # w 5 474.0 e liu908 5764
HA 35 ILE HN 6.00 # w 4 416.0 e liu908 8927
QB 29 GLU- HG2 3.40 # m 1 159550.0*2e liu908 632
QB 29 GLU- HG3 3.40 # m 1 129700.0*2e liu908 629
QB 30 GLU- HN 4.60 # m 2 40565.0*2e liu908 6769
QB 30 GLU- HA 6.00 # m 2 5535.0*2e liu908 8093
QB 30 GLU- QG 5.90 # mm 5 13072.5*4e liu908 8097
QB 31 GLU- HN 6.70 # m 3 3072.0*2e liu908 5748
QB 32 GLY HN 7.00 # m w 3 736.5*2e liu908 8055
QB 33 ILE HN 7.00 # m w 3 458.0*2e liu908 5757
HG2 30 GLU- HN 5.50 # 5 1606.0 e liu908 6771
HG2 34 ASP- HA 5.20 # 5 2305.0 e liu908 8013
HG3 30 GLU- HN 4.90 # 5 3394.0 e liu908 6765
30 GLU-
HN 30 GLU- HA 3.70 # 2 32670.0 e liu908 6752
HN 30 GLU- QB 3.90 # i 2 65050.0*2e liu908 6757
HN 30 GLU- QG 4.40 # m 1 18150.0*2e liu908 6754
HN 31 GLU- HN 3.30 # 2 67320.0 e liu908 6774
HN 31 GLU- QB 7.00 # m 2 1766.5*2e liu908 8060
HN 31 GLU- HG2 5.10 # 5 2687.0 e liu908 8063
HN 31 GLU- HG3 5.30 # 5 2101.0 e liu908 8603
HN 32 GLY HN 4.70 # 3 9651.0 e liu908 6782
HN 33 ILE HN 6.00 # 3 2077.0 e liu908 8019
HA 30 GLU- QB 4.20 # m 2 72000.0*2e liu908 6758
HA 30 GLU- QG 4.00 # i 1 16595.0*2e liu908 6760
HA 31 GLU- HN 4.10 # 2 17520.0 e liu908 6780
HA 31 GLU- HA 5.80 # 2 2229.0 e liu908 8058
HA 31 GLU- HG2 4.80 <# 5 3840.0 e liu908 8065
HA 31 GLU- HG3 5.90 ># 5 1046.0 e liu908 8596
HA 32 GLY HN 4.50 # 3 11620.0 e liu908 6784
QB 30 GLU- QG 4.70 # mm 1 64450.0*4e liu908 6759
QB 31 GLU- HN 4.70 # m 2 32530.0*2e liu908 6778
QB 31 GLU- QB 8.00 # mmw 5 256.2*4e liu908 8061
QB 32 GLY HN 7.00 # m w 3 1800.0*2e liu908 8052
QG 31 GLU- HN 5.70 # m 5 4436.0*2e liu908 6779
31 GLU-
HN 31 GLU- HA 3.70 # 2 31500.0 e liu908 80
HN 31 GLU- QB 4.40 # i 2 26765.0*2e liu908 2411
HN 31 GLU- HG2 3.10 ># 1 28100.0 e liu908 2414
HN 31 GLU- HG3 2.70 <# 1 70680.0 e liu908 8588
HN 32 GLY HN 3.40 # 2 55550.0 e liu908 2420
HN 32 GLY HA1 5.00 # 2 5408.0 e liu908 8045
HN 33 ILE HN 4.40 # 3 13630.0 e liu908 5765
HN 33 ILE HB 5.80 # 3 2703.0 e liu908 5768
HN 33 ILE QD1 7.00 # w 5M 3522.0 e liu908 8829
HA 31 GLU- QB 4.90 # m 2 23960.0*2e liu908 2416
HA 31 GLU- HG2 2.70 <# 1 78410.0 e liu908 2418
HA 31 GLU- HG3 3.80 ># 1 9354.0 e liu908 8594
HA 32 GLY HN 4.10 # 2 16630.0 e liu908 2424
HA 32 GLY HA1 6.00 ># w 2 569.0 e liu908 8048
HA 32 GLY HA2 5.50 <# 2 2957.0 e liu908 8050
HA 33 ILE HN 5.90 # 3 2361.0 e liu908 5769
QB 31 GLU- HG2 3.60 # m 1 79600.0*2e liu908 2419
QB 31 GLU- HG3 3.90 # m 1 45000.0*2e liu908 8589
QB 32 GLY HN 7.00 # m w 2 1649.5*2e liu908 2423
QB 33 ILE HN 5.80 # m 3 7930.0*2e liu908 5773
QB 33 ILE HB 7.00 # m w 5 .0*2e liu908 8018
QB 33 ILE QD1 7.30 # m 5M 10685.0*2e liu908 8830
HG2 32 GLY HN 4.50 # 5 5750.0 e liu908 2426
HG2 33 ILE HN 5.10 # 5 2614.0 e liu908 5772
HG3 32 GLY HN 4.30 # 5 7166.0 e liu908 8601
HG3 33 ILE HN 5.60 # 5 1446.0 e liu908 8598
32 GLY
HN 32 GLY HA1 3.00 <# 2 114400.0 e liu908 35
HN 32 GLY HA2 3.60 ># 2 40090.0 e liu908 36
HN 33 ILE HN 2.90 # 2 143900.0 e liu908 2429
HN 33 ILE HB 5.70 # 2 2290.0 e liu908 8015
HN 33 ILE HG13 6.00 # w 5 423.0 e liu908 8915
HN 33 ILE QD1 7.00 # w 5M 442.0 e liu908 8016
HA1 33 ILE HN 3.80 # 2 30050.0 e liu908 2430
HA1 33 ILE HB 6.00 # w 2 121.0 e liu908 8017
HA1 34 ASP- HN 6.00 # w 3 386.0 e liu908 5775
HA2 33 ILE HN 3.90 # 2 25430.0 e liu908 2428
33 ILE
HN 33 ILE HA 3.60 # 2 41730.0 e liu908 40
HN 33 ILE HB 2.90 # 2 149900.0 e liu908 645
HN 33 ILE QG2 4.90 # 1M 23480.0 e liu908 648
HN 33 ILE HG12 4.20 ># 1 5058.0 e liu908 655
HN 33 ILE HG13 3.10 <# 1 32520.0 e liu908 8788
HN 33 ILE QD1 5.20 # 1M 15880.0 e liu908 656
HN 34 ASP- HN 4.60 # 2 9236.0 e liu908 2450
HA 33 ILE HB 3.90 # 2 25380.0 e liu908 642
HA 33 ILE QG2 4.00 # 1M 80550.0 e liu908 667
HA 33 ILE HG12 5.00 ># 1 1687.0 e liu908 657
HA 33 ILE HG13 3.10 <# 1 31680.0 e liu908 8801
HA 33 ILE QD1 4.70 # 1M 28300.0 e liu908 664
HA 34 ASP- HN 2.70 # 2 246700.0 e liu908 2446
HA 34 ASP- HB2 4.60 # 2 8815.0 e liu908 2453
HA 34 ASP- HB3 4.80 # 2 6860.0 e liu908 2454
HA 35 ILE HN 6.00 # w 3 486.0 e liu908 8836
HB 33 ILE QG2 3.50 # 1M 174000.0 e liu908 643
HB 33 ILE HG12 3.00 # 1 40410.0 e liu908 659
HB 33 ILE HG13 3.10 # 1 31720.0 e liu908 8790
HB 33 ILE QD1 4.30 # 1M 52230.0 e liu908 665
HB 34 ASP- HN 4.50 # 2 9646.0 e liu908 2447
HB 35 ILE QD1 5.60 # 5M 22120.0 e liu908 8952
QG2 33 ILE HG12 4.30 # 1M 51460.0 e liu908 8797
QG2 33 ILE HG13 3.90 # 1M 86320.0 e liu908 8795
QG2 33 ILE QD1 4.40 # m 1M 203700.0 e liu908 666
QG2 34 ASP- HN 4.90 # 5M 50640.0 e liu908 2449
QG2 34 ASP- HB2 7.00 ># w 5M 1778.0 e liu908 8008
QG2 34 ASP- HB3 6.80 <# 5M 6622.0 e liu908 8012
QG2 35 ILE HN 6.20 # 5M 11940.0 e liu908 8837
QG2 35 ILE HA 7.00 # w 5M 3537.0 e liu908 8838
HG12 33 ILE QD1 3.70 # 1M 137400.0 e liu908 8026
HG12 34 ASP- HN 4.30 <# 5 7670.0 e liu908 8806
HG13 33 ILE QD1 3.60 # 1M 146000.0 e liu908 8796
HG13 34 ASP- HN 5.60 ># 5 1441.0 e liu908 8805
QD1 34 ASP- HN 7.00 # 5M 5950.0 e liu908 2448
34 ASP-
HN 34 ASP- HA 3.90 # 2 24760.0 e liu908 2434
HN 34 ASP- HB2 3.10 # 2 88110.0 e liu908 2438
HN 34 ASP- HB3 3.20 # 2 78980.0 e liu908 2437
HN 35 ILE HN 4.60 # 2 8376.0 e liu908 2436
HA 34 ASP- HB2 3.40 # 2 53900.0 e liu908 2443
HA 34 ASP- HB3 3.20 # 2 87000.0 e liu908 2441
HA 35 ILE HN 2.90 # 2 133100.0 e liu908 2463
HA 35 ILE HA 6.00 # w 2 652.0 e liu908 8004
HA 35 ILE HB 5.70 # 2 2411.0 e liu908 8932
HB2 35 ILE HN 4.80 # 2 6652.0 e liu908 2462
HB2 35 ILE HA 6.00 ># w 2 296.0 e liu908 8930
HB3 35 ILE HN 4.80 # 2 6488.0 e liu908 2461
HB3 35 ILE HA 4.80 <# 2 6676.0 e liu908 8929
35 ILE
HN 35 ILE HA 3.60 # 2 38870.0 e liu908 42
HN 35 ILE HB 4.00 # 2 20680.0 e liu908 6922
HN 35 ILE QG2 4.30 # 1M 53050.0 e liu908 6927
HN 35 ILE HG12 6.00 ># w 1 440.0 e liu908 6929
HN 35 ILE HG13 3.60 <# 1 28900.0 e liu908 6923
HN 35 ILE QD1 5.70 # 1M 9403.0 e liu908 6928
HN 36 PRO HA 5.80 # 2 2076.0 e liu908 8939
HN 36 PRO HD2 5.20 # 5 2439.0 e liu908 2467
HN 36 PRO HD3 5.30 # 5 2179.0 e liu908 2468
HA 35 ILE HB 3.50 # 2 47690.0 e liu908 6921
HA 35 ILE QG2 6.20 # 1M 5434.0 e liu908 7028
HA 35 ILE HG13 3.90 # 1 8100.0 e liu908 7025
HA 35 ILE QD1 7.00 # w 1M 484.0 e liu908 7027
HA 36 PRO HA 6.00 # w 2 422.0 e liu908 8940
HA 36 PRO QB 7.00 # m w 2 56.0*2e liu908 8931
HA 36 PRO HG2 4.80 <# 5 3809.0 e liu908 7995
HA 36 PRO HG3 6.00 ># w 5 605.0 e liu908 7994
HA 36 PRO HD2 3.00 # 5 64260.0 e liu908 2473
HA 36 PRO HD3 2.60 # 5 155600.0 e liu908 2470
HA 89 THR QG2 7.00 # w 5M 1292.0 e liu908 8957
HA 90 HIS HE1 3.30 # 5 40700.0 e liu908 5776
HB 35 ILE QG2 4.60 # 1M 32900.0 e liu908 7987
HB 35 ILE HG12 3.10 # 1 27740.0 e liu908 7977
HB 35 ILE HG13 3.20 # 1 26100.0 e liu908 7978
HB 35 ILE QD1 5.10 # 1M 18550.0 e liu908 7980
HB 36 PRO HD2 3.90 <# 5 39570.0 e liu908 7998
HB 36 PRO HD3 4.30 ># 5 9703.0 e liu908 8933
HB 76 THR QG2 7.00 # w 5M 903.0 e liu908 8962
HB 89 THR HB 5.10 # 5 2490.0 e liu908 8958
HB 89 THR QG2 7.00 # w 5M 4330.0 e liu908 8959
QG2 35 ILE HG12 4.30 # 1M 54230.0 e liu908 7988
QG2 35 ILE HG13 3.90 # 1M 85810.0 e liu908 7989
QG2 35 ILE QD1 5.00 # m 1M 77860.0 e liu908 7993
QG2 90 HIS HE1 6.90 # 5M 6166.0 e liu908 8964
HG12 89 THR QG2 7.00 ># w 5M 1383.0 e liu908 8961
HG13 35 ILE QD1 4.60 # 1M 32650.0 e liu908 7992
HG13 36 PRO HD2 6.00 # w 5 378.0 e liu908 8941
HG13 89 THR QG2 7.00 <# w 5M 3715.0 e liu908 8960
QD1 36 PRO HD2 6.50 # 5M 9102.0 e liu908 8001
QD1 36 PRO HD3 7.00 # 5M 5899.0 e liu908 8000
QD1 76 THR QG2 7.90 # m 5M 6060.0 e liu908 8963
QD1 89 THR HB 7.00 # w 5M 937.0 e liu908 8956
QD1 89 THR QG2 6.10 # m 5M 40080.0 e liu908 8954
QD1 90 HIS HE1 6.40 # 5M 10270.0 e liu908 7243
36 PRO
HA 36 PRO QB 5.10 # m 2 16790.0*2e liu908 6963
HA 36 PRO HG2 4.50 <# 1 3312.0 e liu908 8935
HA 36 PRO HG3 5.90 ># 1 606.0 e liu908 8934
HA 36 PRO HD3 5.70 # 1 713.0 e liu908 8936
HA 37 TYR HN 3.90 # 2 22720.0 e liu908 8967
HA 90 HIS HD1 6.00 # w 5 758.0 e liu908 8965
QB 36 PRO HG2 5.00 ># m 1 6745.0*2e liu908 6976
QB 36 PRO HG3 4.40 <# m 1 18235.0*2e liu908 7216
QB 36 PRO HD2 3.90 <# m 1 45380.0*2e liu908 6967
QB 36 PRO HD3 4.90 ># m 1 7160.0*2e liu908 6972
QB 37 TYR HN 6.60 # m 2 2559.5*2e liu908 8969
QB 90 HIS HA 7.00 # m w 5 98.5*2e liu908 7221
HG2 36 PRO HD2 3.70 # 1 11150.0 e liu908 6975
HG2 36 PRO HD3 3.10 # 1 28810.0 e liu908 6971
HG2 90 HIS HA 4.00 <# 5 11500.0 e liu908 7211
HG2 90 HIS QB 7.00 # m 5 962.0*2e liu908 7224
HG2 90 HIS HD1 3.80 <# 5 15590.0 e liu908 7229
HG2 90 HIS HE1 6.00 ># w 5 95.0 e liu908 7237
HG3 36 PRO HD2 3.80 # 1 8771.0 e liu908 6974
HG3 36 PRO HD3 3.20 # 1 25280.0 e liu908 7215
HG3 90 HIS HA 5.10 ># 5 2658.0 e liu908 7220
HG3 90 HIS QB 6.60 # m 5 1505.5*2e liu908 7225
HG3 90 HIS HD1 4.70 ># 5 4087.0 e liu908 7231
HG3 90 HIS HE1 5.70 <# 5 1370.0 e liu908 7236
HD2 90 HIS HD1 4.30 # 5 7113.0 e liu908 7235
HD2 90 HIS HE1 4.00 # 5 11890.0 e liu908 7240
HD3 90 HIS HN 5.70 # 5 1289.0 e liu908 7210
HD3 90 HIS HA 6.00 # w 5 105.0 e liu908 7223
HD3 90 HIS HD1 4.10 # 5 9218.0 e liu908 7233
HD3 90 HIS HE1 3.60 # 5 22520.0 e liu908 7239
37 TYR
HN 37 TYR HA 4.80 # 2 6401.0 e liu908 8970
HN 37 TYR QD 8.00 # r w 1 226.0*2e liu908 8971
HA 37 TYR QD 5.20 # m 1 4777.0*2e liu908 8972
HB2 37 TYR QD 5.60 # r 1 12430.0*2e liu908 8973
HB3 37 TYR QD 5.20 # r 1 26620.0*2e liu908 8974
HB3 37 TYR QE 6.00 # r 1 6340.0*2e liu908 8979
QD 40 ARG+ HA 8.00 # r w 5 246.0*2e liu908 9026
QD 40 ARG+ HB2 6.10 # r 5 10155.0*2e liu908 9025
40 ARG+
HN 40 ARG+ HA 4.70 # 2 8000.0 e liu908 12
HA 40 ARG+ HB3 5.90 # 2 1878.0 e liu908 6962
41 ALA
HN 41 ALA HA 5.60 # 2 2696.0 e liu908 6746
HN 41 ALA QB 4.00 # 2M 19730.0 e liu908 6748
HN 42 GLY HN 3.40 # 2 56410.0 e liu908 8903
HN 42 GLY HA1 6.00 # w 2 1317.0 e liu908 8902
QB 42 GLY HN 5.60 # 2M 2402.0 e liu908 8900
42 GLY
HN 42 GLY HA1 6.00 # w 2 1240.0 e liu908 8889
HN 42 GLY HA2 6.00 # w 2 862.0 e liu908 8890
HN 43 SER HN 5.20 # 2 4308.0 e liu908 8906
HN 61 GLN HA 6.00 # w 4 1487.0 e liu908 8891
HA1 43 SER HN 6.00 # w 2 992.0 e liu908 8905
HA1 61 GLN HN 6.00 ># w 4 231.0 e liu908 8892
HA1 61 GLN HA 5.00 <# 4 5114.0 e liu908 8894
HA1 61 GLN QB 7.00 ># m w 5 413.5*2e liu908 8896
HA2 61 GLN HN 5.10 <# 4 4489.0 e liu908 8893
HA2 61 GLN HA 6.00 ># w 4 192.0 e liu908 8898
HA2 61 GLN QB 6.30 <# m 5 2154.5*2e liu908 8897
48 ALA
HA 48 ALA QB 4.80 # 2M 5986.0 e liu908 6959
HA 49 GLY HN 6.00 # w 2 59.0 e liu908 7012
HA 74 VAL HN 4.50 # 4 9644.0 e liu908 7691
QB 49 GLY HN 5.00 # 2M 4842.0 e liu908 7013
QB 64 LEU QD2 8.00 # m 5M 5925.0 e liu908 9081
QB 91 LYS+ HN 7.00 # w 5M 2067.0 e liu908 7199
QB 95 ILE HG12 6.10 # 5M 13470.0 e liu908 7174
QB 95 ILE QD1 6.50 # m 5M 25780.0 e liu908 7173
49 GLY
HN 49 GLY HA1 4.00 # 2 20260.0 e liu908 6456
HN 49 GLY HA2 3.80 # 2 29870.0 e liu908 6455
HN 50 LYS+ HN 4.50 # 2 11300.0 e liu908 6450
# nov8 HN 50 LYS+ HN 4.40 # 2 11300.0 e liu908 6450
HN 73 TYR HA 5.20 # 4 4044.0 e liu908 6601
HN 73 TYR HB3 6.00 # 5 948.0 e liu908 6605
HN 73 TYR QD 7.60 # r 5 1461.5*2e liu908 6604
HN 74 VAL HN 3.90 # 4 21120.0 e liu908 6647
HN 74 VAL HB 6.00 # w 5 879.0 e liu908 6646
HN 74 VAL QG1 5.90 <# 5M 16440.0 e liu908 8474
HN 74 VAL QG2 7.00 ># w 5M 3347.0 e liu908 6645
HN 76 THR QG2 7.00 # w 5M 3164.0 e liu908 8584
HN 87 ILE QG1 7.00 # m w 5 222.0*2e liu908 6611
HN 87 ILE QD1 7.00 # w 5M 2380.0 e liu908 6617
HN 89 THR HA 6.00 # w 4 443.0 e liu908 6621
HN 91 LYS+ HN 6.00 # w 4 672.0 e liu908 6632
HN 91 LYS+ QB 6.20 # m 5 2363.0*2e liu908 6633
HN 91 LYS+ HG2 6.00 # w 5 925.0 e liu908 6634
HA1 50 LYS+ HN 3.10 # 2 97990.0 e liu908 6458
HA1 73 TYR QE 7.40 <# r 5 1894.5*2e liu908 8488
HA1 74 VAL HN 5.30 <# 4 3544.0 e liu908 7693
HA1 87 ILE QG1 5.80 <# m 5 3971.5*2e liu908 7336
HA1 87 ILE QD1 7.00 ># w 5M 3020.0 e liu908 7337
HA1 88 GLU- HN 5.80 # 4 2107.0 e liu908 7280
HA1 89 THR HA 6.00 ># w 4 299.0 e liu908 6623
HA1 89 THR QG2 7.00 # w 5M 5463.0 e liu908 6628
HA1 90 HIS HN 5.40 # 4 3108.0 e liu908 6631
HA1 91 LYS+ QB 4.40 # m 5 31630.0*2e liu908 6642
HA1 91 LYS+ HG2 3.60 # 5 22040.0 e liu908 6643
HA2 50 LYS+ HN 3.20 # 2 86240.0 e liu908 6459
HA2 73 TYR QD 8.00 # r w 5 315.5*2e liu908 6606
HA2 73 TYR QE 8.00 ># r w 5 115.0*2e liu908 6607
HA2 74 VAL HN 6.00 ># w 4 560.0 e liu908 6657
HA2 74 VAL HB 6.00 # w 5 281.0 e liu908 6658
HA2 76 THR QG2 7.00 # w 5M 4661.0 e liu908 8586
HA2 87 ILE QG2 5.50 # 5M 25150.0 e liu908 6653
HA2 87 ILE QG1 7.00 ># m w 5 490.0*2e liu908 6612
HA2 87 ILE QD1 4.80 <# 5M 57460.0 e liu908 6616
HA2 88 GLU- HN 5.10 # 4 4202.0 e liu908 6619
HA2 89 THR HN 6.00 # w 4 308.0 e liu908 6622
HA2 89 THR HA 5.00 <# 4 4993.0 e liu908 6625
HA2 89 THR QG2 7.00 # 5M 5981.0 e liu908 6626
HA2 90 HIS HN 5.40 # 4 3123.0 e liu908 6629
HA2 91 LYS+ HN 5.00 # 4 5127.0 e liu908 6636
HA2 91 LYS+ QB 4.70 # m 5 17500.0*2e liu908 6638
HA2 91 LYS+ HG2 3.90 # 5 13810.0 e liu908 6640
HA2 91 LYS+ HD2 6.00 # w 5 482.0 e liu908 8771
50 LYS+
HN 50 LYS+ HA 3.70 # 2 33110.0 e liu908 78
HN 50 LYS+ HB2 3.50 <# 2 43010.0 e liu908 778
HN 50 LYS+ HB3 4.50 ># 2 9585.0 e liu908 790
HN 50 LYS+ QG 5.10 # m 1 5655.0*2e liu908 792
HN 50 LYS+ HD2 4.30 <# 1 4056.0 e liu908 781
HN 50 LYS+ HD3 5.30 ># 1 1200.0 e liu908 3002
HN 51 VAL HN 6.00 # w 2 .0 e liu908 3046
HN 73 TYR QD 6.50 # r 5 5330.0*2e liu908 5778
HN 73 TYR QE 7.30 # r 5 1993.5*2e liu908 5780
HN 74 VAL HN 6.00 # w 4 955.0 e liu908 5811
HN 87 ILE HA 5.10 # 4 4267.0 e liu908 5830
HN 87 ILE HB 6.00 # w 5 591.0 e liu908 5831
HN 87 ILE QG1 4.40 # m 5 29805.0*2e liu908 5835
HN 87 ILE QD1 5.20 # 5M 35990.0 e liu908 5833
HN 88 GLU- HN 3.60 # 4 37120.0 e liu908 5821
HN 88 GLU- HA 4.70 # 4 7137.0 e liu908 5822
HN 88 GLU- HB2 3.30 # 5 34310.0 e liu908 5825
HN 88 GLU- HG3 6.00 # w 5 586.0 e liu908 7279
HN 89 THR HN 5.80 # 4 2024.0 e liu908 5836
HN 89 THR HA 4.60 # 4 8021.0 e liu908 5838
HN 91 LYS+ HN 5.80 # 4 2079.0 e liu908 5840
HN 91 LYS+ QB 4.80 # m 5 15960.0*2e liu908 5842
HN 91 LYS+ HG2 3.80 # 5 16480.0 e liu908 5843
HN 91 LYS+ HG3 3.80 # 5 16740.0 e liu908 5846
HN 91 LYS+ QE 7.00 # m w 5 781.5*2e liu908 7198
HA 50 LYS+ HB2 4.30 # 2 13370.0 e liu908 785
HA 50 LYS+ HB3 4.40 # 2 11610.0 e liu908 786
HA 50 LYS+ QG 3.70 # i 1 29300.0*2e liu908 787
HA 50 LYS+ HD2 4.40 <# 1 3766.0 e liu908 793
HA 50 LYS+ HD3 5.50 ># 1 946.0 e liu908 5805
HA 50 LYS+ HE2 5.70 # 1 713.0 e liu908 783
HA 50 LYS+ HE3 5.80 # 1 679.0 e liu908 784
HA 51 VAL HN 2.80 # 2 172200.0 e liu908 3042
HA 72 GLY HN 6.00 # w 4 144.0 e liu908 7791
HA 73 TYR HN 5.00 # 4 4779.0 e liu908 5781
HA 73 TYR HA 4.60 # 4 7979.0 e liu908 5782
HA 73 TYR HB2 5.10 # 5 2524.0 e liu908 8470
HA 73 TYR HB3 5.00 # 5 2938.0 e liu908 7738
HA 73 TYR QD 6.00 # r 5 12080.0*2e liu908 5783
HA 73 TYR QE 6.60 # r 5 4683.0*2e liu908 5784
HA 74 VAL HN 4.10 # 4 16550.0 e liu908 5812
HA 74 VAL HB 5.70 # 5 1307.0 e liu908 5813
HA 74 VAL QG1 7.00 # w 5M 4345.0 e liu908 5814
HA 87 ILE QG1 5.40 # m 5 6405.0*2e liu908 7334
HA 87 ILE QD1 6.20 # 5M 12460.0 e liu908 7335
HB2 50 LYS+ QG 4.20 ># m 1 25850.0*2e liu908 812
HB2 50 LYS+ HD2 2.60 # 1 95390.0 e liu908 805
HB2 50 LYS+ HD3 3.00 # 1 36150.0 e liu908 3018
HB2 50 LYS+ HE2 5.40 # 1 1021.0 e liu908 795
HB2 50 LYS+ HE3 4.30 # 1 4289.0 e liu908 801
HB2 51 VAL HN 4.60 # 2 8545.0 e liu908 3043
HB2 73 TYR QD 5.30 <# r 5 36655.0*2e liu908 5790
HB2 73 TYR QE 6.10 <# r 5 9245.0*2e liu908 5791
HB2 88 GLU- HN 5.10 # 5 2610.0 e liu908 7276
HB2 88 GLU- HB2 3.80 # 5 16720.0 e liu908 7277
HB3 50 LYS+ QG 3.40 <# m 1 144100.0*2e liu908 813
HB3 50 LYS+ HD2 3.90 # 1 7851.0 e liu908 809
HB3 50 LYS+ HD3 3.30 # 1 18930.0 e liu908 3011
HB3 50 LYS+ HE2 4.70 # 1 2497.0 e liu908 806
HB3 50 LYS+ HE3 6.00 # w 1 351.0 e liu908 3012
HB3 51 VAL HN 4.20 # 2 15900.0 e liu908 3044
HB3 73 TYR HA 5.50 # 5 1704.0 e liu908 7737
HB3 73 TYR QD 7.70 ># r 5 1366.0*2e liu908 5793
HB3 73 TYR QE 7.50 ># r 5 1743.5*2e liu908 5792
HB3 88 GLU- HN 5.80 # 5 1262.0 e liu908 5827
HB3 88 GLU- HB2 4.00 # 5 12050.0 e liu908 5828
QG 50 LYS+ HD2 3.90 # m 1 42255.0*2e liu908 3010
QG 50 LYS+ HD3 4.30 # m 1 20345.0*2e liu908 3014
QG 50 LYS+ HE2 4.90 # m 1 7845.0*2e liu908 810
QG 50 LYS+ HE3 4.70 # m 1 9720.0*2e liu908 811
QG 51 VAL HN 5.20 # m 5 8540.0*2e liu908 3045
QG 51 VAL HA 7.00 # m w 5 495.5*2e liu908 8547
QG 72 GLY HN 7.00 # m w 5 283.0*2e liu908 7792
QG 72 GLY HA1 6.10 # m 5 2678.5*2e liu908 5819
QG 72 GLY HA2 5.60 # m 5 4796.0*2e liu908 5820
QG 73 TYR HN 6.70 # m 5 1354.5*2e liu908 5800
QG 73 TYR HA 5.30 # m 5 7780.0*2e liu908 5797
QG 73 TYR QD 8.10 # mr 5 2520.0*4e liu908 5795
QG 73 TYR QE 7.90 # mr 5 3425.0*4e liu908 5796
HD2 50 LYS+ HE3 3.50 # 1 14490.0 e liu908 800
HD2 73 TYR QD 5.90 <# r 5 13785.0*2e liu908 5802
HD2 73 TYR QE 5.50 <# r 5 25940.0*2e liu908 5801
HD2 88 GLU- HN 6.00 # w 5 883.0 e liu908 8852
HD2 94 GLU- QB 5.70 # m 5 4108.0*2e liu908 7183
HD3 50 LYS+ HE2 3.30 # 1 20260.0 e liu908 3016
HD3 50 LYS+ HE3 3.80 # 1 8141.0 e liu908 3017
HD3 73 TYR QD 7.40 ># r 5 1846.5*2e liu908 5808
HD3 73 TYR QE 6.80 ># r 5 3793.0*2e liu908 5806
HE2 72 GLY HA1 6.00 # w 5 554.0 e liu908 8425
HE2 73 TYR QE 7.20 ># r 5 2273.5*2e liu908 8840
HE3 72 GLY HA1 6.00 # w 5 766.0 e liu908 7794
HE3 73 TYR QE 6.30 <# r 5 7065.0*2e liu908 8841
51 VAL
HN 51 VAL HA 3.60 # 2 41320.0 e liu908 19
HN 51 VAL HB 2.90 # 2 132200.0 e liu908 3025
HN 51 VAL QG1 4.80 ># 1M 27530.0 e liu908 3024
HN 51 VAL QG2 4.00 <# 1M 85090.0 e liu908 3028
HN 52 VAL HN 4.50 # 2 9859.0 e liu908 3074
HN 52 VAL HA 6.00 # w 2 977.0 e liu908 3069
HN 72 GLY HN 5.80 # 4 2090.0 e liu908 5848
HN 72 GLY HA1 4.30 # 4 13070.0 e liu908 5849
HN 72 GLY HA2 4.00 # 4 19740.0 e liu908 5850
HN 73 TYR HN 5.40 # 4 3104.0 e liu908 5863
HN 73 TYR HA 4.00 # 4 18310.0 e liu908 7342
HN 73 TYR QD 7.80 # r 5 1211.5*2e liu908 7740
HN 74 VAL HN 5.90 # 4 1754.0 e liu908 7695
HN 74 VAL HB 4.20 # 5 9167.0 e liu908 5876
HN 74 VAL QG1 5.40 <# 5M 26640.0 e liu908 5872
HN 74 VAL QG2 6.70 ># 5M 7510.0 e liu908 5875
HA 51 VAL HB 3.20 # 2 82430.0 e liu908 3033
HA 51 VAL QG1 4.00 # 1M 76800.0 e liu908 3039
HA 51 VAL QG2 3.60 # 1M 139800.0 e liu908 3036
HA 52 VAL HN 2.70 # 2 246400.0 e liu908 3073
HA 52 VAL HA 4.90 # 2 6036.0 e liu908 3081
HA 52 VAL HB 4.50 # 2 9609.0 e liu908 3087
HA 52 VAL QG1 7.00 ># w 5M 4057.0 e liu908 3086
HA 52 VAL QG2 5.90 <# 5M 15670.0 e liu908 3088
HA 53 SER HN 4.60 # 3 11380.0 e liu908 8780
HA 74 VAL HB 5.30 # 5 1993.0 e liu908 5877
HA 74 VAL QG1 5.70 # 5M 19600.0 e liu908 5880
HA 74 VAL QG2 6.70 # 5M 7876.0 e liu908 5879
HA 85 VAL QQG 8.40 # w 5M 1981.5*2e liu908 7437
HA 86 VAL HN 6.00 # w 4 656.0 e liu908 7386
HA 87 ILE HN 5.30 # 4 3498.0 e liu908 5885
HA 87 ILE HA 3.30 # 4 61420.0 e liu908 5883
HA 87 ILE HB 3.80 # 5 16080.0 e liu908 5886
HA 87 ILE QG1 5.40 # m 5 6775.0*2e liu908 7333
HA 88 GLU- HN 3.90 # 4 21940.0 e liu908 5888
HB 51 VAL QG1 3.60 # 1M 147500.0 e liu908 3040
HB 51 VAL QG2 3.60 # 1M 146700.0 e liu908 3037
HB 52 VAL HN 4.90 # 2 6153.0 e liu908 3072
HB 53 SER HN 5.70 # 3 2836.0 e liu908 8781
HB 72 GLY HN 5.00 # 5 2845.0 e liu908 5851
HB 72 GLY HA1 3.70 # 5 19220.0 e liu908 5852
HB 72 GLY HA2 4.30 # 5 7946.0 e liu908 5855
HB 73 TYR QD 7.60 # r 5 1524.5*2e liu908 5870
HB 87 ILE HA 5.90 # 5 1073.0 e liu908 7326
QG1 52 VAL HN 4.70 # 5M 62920.0 e liu908 3071
QG1 52 VAL HA 6.80 <# 5M 6669.0 e liu908 3080
QG1 53 SER HN 4.50 # 5M 80270.0 e liu908 8776
QG1 53 SER HA 6.80 # 5M 7108.0 e liu908 8778
QG1 54 GLY HN 6.90 # 5M 6264.0 e liu908 8785
QG1 55 SER HN 7.00 # w 5M 4076.0 e liu908 8784
QG1 56 ILE HN 6.80 # 5M 6633.0 e liu908 7972
QG1 56 ILE HG12 6.70 # 5M 7414.0 e liu908 7973
QG1 56 ILE HG13 6.60 # 5M 8623.0 e liu908 7975
QG1 72 GLY HN 7.00 # w 5M 1258.0 e liu908 5861
QG1 72 GLY HA1 6.20 # 5M 12260.0 e liu908 5857
QG1 72 GLY HA2 7.00 # w 5M 363.0 e liu908 7798
QG1 74 VAL HB 5.60 ># 5M 21220.0 e liu908 7701
QG1 74 VAL QG2 7.10 # m 5M 13900.0 e liu908 7706
QG1 85 VAL HA 7.00 # w 5M 3328.0 e liu908 7432
QG1 85 VAL HB 6.40 # 5M 9765.0 e liu908 7436
QG1 85 VAL QQG 7.30 # m 5M 49420.0*2e liu908 7439
QG1 86 VAL HN 6.10 <# 5M 12970.0 e liu908 7388
QG1 87 ILE HA 6.10 # 5M 13160.0 e liu908 7327
QG1 87 ILE HB 5.10 # 5M 40030.0 e liu908 7331
QG2 52 VAL HN 5.20 # 5M 34890.0 e liu908 3070
QG2 52 VAL HA 7.00 ># w 5M 2036.0 e liu908 3082
QG2 56 ILE HG12 5.50 # 5M 24200.0 e liu908 7974
QG2 58 GLN HE21 5.40 # 5M 28780.0 e liu908 8992
QG2 58 GLN HE22 5.50 # 5M 27830.0 e liu908 8993
QG2 72 GLY HN 7.00 # w 5M 2240.0 e liu908 8465
QG2 72 GLY HA1 6.30 # 5M 10520.0 e liu908 5856
QG2 72 GLY HA2 7.00 # w 5M 1661.0 e liu908 7799
QG2 73 TYR HA 7.00 # w 5M 5463.0 e liu908 7739
QG2 73 TYR QD 8.70 # r 5M 7325.0*2e liu908 5868
QG2 74 VAL HN 7.00 # w 5M 2393.0 e liu908 7698
QG2 74 VAL HB 4.90 <# 5M 53320.0 e liu908 7699
QG2 74 VAL QG1 5.50 # m 5M 79700.0 e liu908 7708
QG2 74 VAL QG2 6.10 # m 5M 39220.0 e liu908 7704
QG2 86 VAL HN 7.00 ># w 5M 1851.0 e liu908 4826
QG2 87 ILE HA 6.00 # 5M 14450.0 e liu908 7328
QG2 87 ILE HB 4.50 # 5M 83270.0 e liu908 7329
52 VAL
HN 52 VAL HA 3.60 # 2 39880.0 e liu908 63
HN 52 VAL HB 3.20 # 2 80590.0 e liu908 3051
HN 52 VAL QG1 5.50 ># 1M 11980.0 e liu908 3053
HN 52 VAL QG2 4.00 <# 1M 81120.0 e liu908 3049
HN 53 SER HN 2.80 # 2 162000.0 e liu908 3098
HN 53 SER HA 5.50 # 2 3023.0 e liu908 3090
HN 53 SER HB2 5.30 # 2 3679.0 e liu908 3092
HN 53 SER HB3 5.80 # 2 2225.0 e liu908 3101
HN 85 VAL QQG 8.40 # w 5M 2174.5*2e liu908 5890
HN 86 VAL HN 4.60 # 4 8679.0 e liu908 5892
HN 86 VAL HB 3.80 # 5 15330.0 e liu908 5895
HN 86 VAL QG1 6.40 # 5M 10050.0 e liu908 5896
HN 87 ILE HN 4.40 # 4 10660.0 e liu908 5910
HN 87 ILE HA 3.40 # 4 53570.0 e liu908 5909
HN 87 ILE HB 4.20 # 5 8891.0 e liu908 5911
HN 87 ILE QD1 6.20 # 5M 12100.0 e liu908 5914
HN 88 GLU- HN 4.50 # 4 9317.0 e liu908 5920
HN 88 GLU- HG3 6.00 # w 5 527.0 e liu908 5923
HA 52 VAL HB 3.50 # 2 45210.0 e liu908 3057
HA 52 VAL QG1 3.90 # 1M 85610.0 e liu908 3065
HA 52 VAL QG2 4.00 # 1M 77690.0 e liu908 3062
HA 53 SER HN 4.30 # 2 12920.0 e liu908 3099
HA 53 SER HA 6.00 # w 2 802.0 e liu908 3105
HA 86 VAL HB 6.00 # w 5 360.0 e liu908 5898
HA 87 ILE HA 5.10 # 4 4300.0 e liu908 5916
HA 88 GLU- HN 6.00 # w 4 554.0 e liu908 5922
HB 52 VAL QG1 3.80 # 1M 101000.0 e liu908 3066
HB 52 VAL QG2 3.80 # 1M 102800.0 e liu908 3058
HB 53 SER HN 3.30 # 2 65740.0 e liu908 3094
HB 53 SER HA 6.00 # w 2 1534.0 e liu908 3106
HB 53 SER HB2 4.50 <# 5 5525.0 e liu908 3113
HB 53 SER HB3 5.40 ># 5 1794.0 e liu908 3110
HB 86 VAL HN 4.40 # 5 6644.0 e liu908 7390
HB 86 VAL HA 4.50 # 5 5365.0 e liu908 5903
HB 86 VAL HB 2.90 # 5 76860.0 e liu908 5904
HB 86 VAL QG1 4.20 # 5M 133300.0 e liu908 5906
HB 87 ILE HN 4.30 # 5 6921.0 e liu908 5917
HB 87 ILE HA 6.00 # w 5 267.0 e liu908 5919
HB 88 GLU- HN 6.00 # w 5 888.0 e liu908 7268
QG1 53 SER HN 5.40 # 5M 27360.0 e liu908 3096
QG1 53 SER HB2 5.80 # 5M 17350.0 e liu908 3115
QG1 53 SER HB3 5.00 # 5M 42760.0 e liu908 3116
QG1 86 VAL HB 6.40 # 5M 9600.0 e liu908 7392
QG1 88 GLU- HN 7.00 ># w 5M 3449.0 e liu908 5925
QG1 88 GLU- HG3 6.70 # 5M 7487.0 e liu908 5929
QG2 53 SER HN 5.40 # 5M 29120.0 e liu908 3095
QG2 53 SER HB2 7.00 # w 5M 5163.0 e liu908 3108
QG2 53 SER HB3 7.00 # w 5M 3524.0 e liu908 3111
QG2 86 VAL HB 7.00 # w 5M .0 e liu908 7393
QG2 88 GLU- HN 5.20 <# 5M 35000.0 e liu908 5924
QG2 88 GLU- HA 7.00 # w 5M 5543.0 e liu908 7270
QG2 88 GLU- HB2 5.40 # 5M 27320.0 e liu908 7271
QG2 88 GLU- HG2 7.00 # w 5M 5063.0 e liu908 7273
QG2 88 GLU- HG3 4.40 # 5M 97950.0 e liu908 5928
53 SER
HN 53 SER HA 3.70 # 2 31840.0 e liu908 72
HN 53 SER HB2 4.20 # 2 14240.0 e liu908 841
HN 53 SER HB3 3.80 # 2 27040.0 e liu908 842
HN 54 GLY HN 4.60 # 2 8932.0 e liu908 3122
HN 85 VAL HA 5.20 # 4 3904.0 e liu908 5932
HN 85 VAL QQG 8.40 # w 5M 1480.0*2e liu908 5934
HN 86 VAL HN 3.50 # 4 43720.0 e liu908 5939
HN 86 VAL HA 5.60 # 4 2489.0 e liu908 5940
HN 86 VAL HB 3.10 # 5 60000.0 e liu908 5941
HN 86 VAL QG1 7.00 # 5M 5829.0 e liu908 5943
HN 86 VAL QG2 7.00 # w 5M 2578.0 e liu908 7396
HN 87 ILE HA 4.90 # 4 5454.0 e liu908 5955
HN 87 ILE HB 6.00 # w 5 519.0 e liu908 5956
HN 87 ILE QG1 6.80 # m 5 1224.0*2e liu908 5959
HA 53 SER HB2 3.40 # 2 52200.0 e liu908 844
HA 53 SER HB3 3.50 # 2 49800.0 e liu908 845
HA 54 GLY HN 2.90 # 2 150700.0 e liu908 3121
HA 86 VAL HN 5.70 # 4 2230.0 e liu908 7394
HA 86 VAL HB 4.80 # 5 3646.0 e liu908 5945
HB2 54 GLY HN 3.70 # 2 31940.0 e liu908 3120
HB2 85 VAL HA 6.00 # w 5 116.0 e liu908 7441
HB2 86 VAL HN 5.60 # 5 1524.0 e liu908 5949
HB2 86 VAL HB 4.00 ># 5 11430.0 e liu908 5952
HB3 54 GLY HN 3.90 # 2 25570.0 e liu908 3126
HB3 86 VAL HN 5.30 # 5 2087.0 e liu908 5948
HB3 86 VAL HB 3.40 <# 5 28660.0 e liu908 5953
HB3 86 VAL QG1 7.00 # w 5M 3187.0 e liu908 5951
HB3 86 VAL QG2 7.00 # w 5M 3840.0 e liu908 7397
54 GLY
HN 54 GLY HA1 3.30 # 2 71650.0 e liu908 28
HN 54 GLY HA2 3.50 # 2 47140.0 e liu908 29
HN 55 SER HN 5.40 # 2 3125.0 e liu908 3129
HN 85 VAL HA 5.00 # 4 4819.0 e liu908 5960
HN 86 VAL HN 5.50 # 4 2771.0 e liu908 7398
HA1 55 SER HN 4.00 # 2 18960.0 e liu908 3131
HA1 85 VAL HN 6.00 # w 4 547.0 e liu908 5965
HA1 85 VAL HA 3.80 <# 4 27570.0 e liu908 5962
HA1 85 VAL HB 5.40 # 5 5577.0 e liu908 5966
HA1 85 VAL QQG 7.90 # 5M 9055.0*2e liu908 5964
HA1 86 VAL HN 5.10 # 4 4344.0 e liu908 7401
HA2 55 SER HN 3.70 # 2 31470.0 e liu908 3132
HA2 85 VAL HN 6.00 # w 4 392.0 e liu908 7443
HA2 85 VAL HA 4.40 ># 4 10480.0 e liu908 7029
HA2 85 VAL HB 4.50 # 5 5608.0 e liu908 7030
HA2 85 VAL QQG 7.20 # 5M 18820.0*2e liu908 7444
HA2 86 VAL HN 4.90 # 4 5332.0 e liu908 7400
55 SER
HN 55 SER HA 3.50 # 2 44740.0 e liu908 71
HN 55 SER HB2 3.40 # 2 50690.0 e liu908 852
HN 55 SER HB3 3.90 # 2 23760.0 e liu908 856
HN 56 ILE HN 4.60 # 2 8857.0 e liu908 3136
HN 56 ILE HA 6.00 # w 2 313.0 e liu908 7966
HN 82 THR HN 4.70 # 4 6848.0 e liu908 3140
HN 83 SER HN 4.30 # 4 11930.0 e liu908 5968
HN 83 SER HA 6.00 # w 4 1498.0 e liu908 5970
HN 83 SER HB2 3.90 <# 5 14020.0 e liu908 7478
HN 83 SER HB3 5.90 ># 5 1050.0 e liu908 7475
HN 85 VAL HA 4.80 # 4 6461.0 e liu908 5972
HN 85 VAL HB 4.20 # 5 15490.0 e liu908 5975
HN 85 VAL QQG 7.10 # 5M 20790.0*2e liu908 5977
HA 55 SER HB2 3.10 # 2 89710.0 e liu908 857
HA 55 SER HB3 3.10 # 2 87820.0 e liu908 858
HA 56 ILE HN 2.90 # 2 141300.0 e liu908 3137
HA 56 ILE HA 6.00 # w 2 1647.0 e liu908 3141
HA 56 ILE HG12 5.20 # 5 2288.0 e liu908 7967
HA 85 VAL QQG 8.40 # w 5M 2736.5*2e liu908 5978
HB2 56 ILE HN 3.60 # 2 36880.0 e liu908 3142
HB2 56 ILE HA 5.80 # 2 2177.0 e liu908 3145
HB2 56 ILE HG12 6.00 # w 5 518.0 e liu908 7968
HB3 56 ILE HN 3.80 # 2 27620.0 e liu908 3143
HB3 56 ILE HA 5.90 # 2 1856.0 e liu908 3144
HB3 56 ILE HG12 6.00 # w 5 696.0 e liu908 7970
56 ILE
HN 56 ILE HA 3.00 # 2 127200.0 e liu908 30
HN 56 ILE HB 3.80 # 2 29040.0 e liu908 6909
HN 56 ILE QG2 4.20 # 1M 68110.0 e liu908 6911
# nov8 HN 56 ILE QG2 4.10 # 1M 68110.0 e liu908 6911
HN 56 ILE HG12 2.60 <# 1 92720.0 e liu908 6910
HN 56 ILE HG13 3.20 ># 1 24900.0 e liu908 6917
HN 56 ILE QD1 6.90 # 1M 2796.0 e liu908 6914
HN 57 ASP- HN 4.70 # 2 8135.0 e liu908 3147
HN 57 ASP- HA 5.40 # 2 3199.0 e liu908 7956
HA 56 ILE HB 3.00 # 2 119900.0 e liu908 7032
HA 56 ILE QG2 3.60 # 1M 157900.0 e liu908 7035
HA 56 ILE HG12 4.80 <# 1 2059.0 e liu908 7033
HA 56 ILE HG13 5.90 ># 1 617.0 e liu908 7058
HA 56 ILE QD1 5.70 # 1M 9067.0 e liu908 7055
HA 57 ASP- HN 2.90 # 2 151400.0 e liu908 3146
HA 57 ASP- HB2 5.70 # 2 2468.0 e liu908 7960
HA 57 ASP- HB3 5.80 # 2 2185.0 e liu908 7961
HA 80 TYR HN 6.00 # 4 1649.0 e liu908 7630
HA 81 PRO HA 5.00 # 4 5128.0 e liu908 5983
HA 81 PRO HB2 6.00 # w 5 694.0 e liu908 7599
HA 82 THR HN 4.10 # 4 17690.0 e liu908 3135
HA 82 THR HA 6.00 # w 4 243.0 e liu908 7526
HA 82 THR QG2 5.50 # 5M 25900.0 e liu908 5982
HA 83 SER HN 4.30 # 4 12820.0 e liu908 8609
HB 56 ILE QG2 3.30 # s 1M 298200.0 e liu908 7036
HB 56 ILE HG12 3.00 # 1 34970.0 e liu908 7044
HB 56 ILE HG13 2.70 # 1 63190.0 e liu908 7045
HB 56 ILE QD1 4.30 # 1M 48100.0 e liu908 7054
HB 57 ASP- HN 2.90 # 2 146600.0 e liu908 7063
HB 57 ASP- HA 5.40 # 2 3333.0 e liu908 7957
HB 58 GLN HA 6.00 # w 3 1003.0 e liu908 8641
HB 74 VAL QG2 6.00 # 5M 14000.0 e liu908 7709
HB 79 ALA HA 5.10 # 5 2620.0 e liu908 7673
HB 79 ALA QB 5.10 # 5M 37220.0 e liu908 7675
HB 80 TYR HN 4.10 # 5 10560.0 e liu908 7632
HB 80 TYR HA 6.00 # w 5 553.0 e liu908 7634
HB 81 PRO HA 6.00 # w 5 715.0 e liu908 7596
HB 82 THR QG2 7.00 # w 5M 5018.0 e liu908 7527
QG2 56 ILE HG12 4.00 # 1M 82290.0 e liu908 7037
QG2 56 ILE HG13 3.90 # 1M 93130.0 e liu908 7051
QG2 56 ILE QD1 4.60 # m 1M 159400.0 e liu908 7052
QG2 57 ASP- HN 5.30 # 5M 32850.0 e liu908 7066
QG2 57 ASP- HA 7.00 # w 5M 4635.0 e liu908 7068
# nov9 QG2 58 GLN HA 7.00 # w 5M 5498.0 e liu908 8545
QG2 74 VAL QG2 6.30 # m 5M 30680.0 e liu908 7703
QG2 79 ALA QB 6.20 # m 5M 34240.0 e liu908 7678
QG2 80 TYR HA 7.00 # w 5M 1965.0 e liu908 7635
QG2 81 PRO HA 5.10 # 5M 38330.0 e liu908 7597
QG2 81 PRO HB2 4.80 <# 5M 58280.0 e liu908 7603
QG2 81 PRO HB3 6.70 ># 5M 7429.0 e liu908 7602
QG2 83 SER HN 6.90 # 5M 6127.0 e liu908 8833
QG2 85 VAL HB 6.80 # 5M 6931.0 e liu908 7411
QG2 85 VAL QQG 8.40 # q 5M 14975.0*2e liu908 7414
HG12 56 ILE QD1 4.60 ># 1M 33720.0 e liu908 7039
HG12 57 ASP- HN 5.00 # 5 3126.0 e liu908 7064
HG12 79 ALA QB 5.70 # 5M 19890.0 e liu908 7680
HG12 85 VAL QQG 8.40 # w 5M 1991.0*2e liu908 7415
HG13 56 ILE QD1 3.70 <# 1M 118400.0 e liu908 7041
HG13 57 ASP- HN 4.50 # 5 5347.0 e liu908 7065
HG13 79 ALA QB 5.40 # 5M 26480.0 e liu908 7681
HG13 85 VAL QQG 8.40 # w 5M .0*2e liu908 7416
QD1 57 ASP- HN 7.00 # w 5M 1647.0 e liu908 7067
QD1 79 ALA QB 7.90 # m 5M 6138.0 e liu908 7683
QD1 81 PRO HA 6.50 # 5M 8753.0 e liu908 7598
57 ASP-
HN 57 ASP- HA 3.70 # 2 30580.0 e liu908 69
HN 57 ASP- HB2 3.70 # 2 32960.0 e liu908 880
HN 57 ASP- HB3 3.30 # 2 71700.0 e liu908 876
HN 58 GLN HN 4.10 # 2 17950.0 e liu908 3230
HN 58 GLN HA 5.80 # 2 2031.0 e liu908 3234
HN 79 ALA HA 4.60 # 4 8427.0 e liu908 5986
HN 79 ALA QB 6.60 # 5M 8641.0 e liu908 5985
HN 80 TYR HN 3.50 # 4 39870.0 e liu908 6000
HN 80 TYR HA 5.50 # 4 2684.0 e liu908 6001
HN 80 TYR HB2 3.40 <# 5 29180.0 e liu908 7638
HN 80 TYR HB3 4.30 ># 5 7089.0 e liu908 6003
HN 80 TYR QD 7.20 # r 5 2237.5*2e liu908 6014
HN 80 TYR QE 8.00 # r w 5 224.5*2e liu908 9056
HN 81 PRO HA 4.90 # 4 5858.0 e liu908 6017
HN 81 PRO HD3 6.00 # w 5 138.0 e liu908 9057
HN 82 THR HN 4.80 # 4 6539.0 e liu908 5989
HN 82 THR HA 6.00 # w 4 421.0 e liu908 5990
HN 82 THR QG2 5.00 # 5M 44010.0 e liu908 5993
HA 57 ASP- HB2 3.00 # 2 127400.0 e liu908 882
HA 57 ASP- HB3 3.40 # 2 58230.0 e liu908 881
HA 58 GLN HN 2.70 # 2 211500.0 e liu908 3231
HA 58 GLN HA 5.10 # 2 4842.0 e liu908 3237
HA 58 GLN HG3 4.40 # 5 6599.0 e liu908 7950
HA 59 SER HN 3.90 # 3 28610.0 e liu908 7945
HA 80 TYR HN 5.20 # 4 4055.0 e liu908 6013
HA 80 TYR QD 7.60 # r 5 1462.5*2e liu908 6012
HA 82 THR QG2 5.90 # 5M 16130.0 e liu908 5994
HB2 58 GLN HN 4.70 # 2 7869.0 e liu908 3233
HB2 59 SER HN 6.00 # w 3 1286.0 e liu908 7947
HB2 80 TYR QD 6.10 ># r 5 9440.0*2e liu908 9055
HB2 82 THR HN 6.00 # w 5 837.0 e liu908 9052
HB2 82 THR QG2 4.20 <# 5M 132600.0 e liu908 5996
HB3 58 GLN HN 4.70 # 2 7568.0 e liu908 3239
HB3 59 SER HN 5.80 # 3 2500.0 e liu908 7948
HB3 79 ALA HA 5.80 # 5 1200.0 e liu908 7668
HB3 80 TYR HN 3.70 # 5 18460.0 e liu908 6004
HB3 80 TYR HA 5.70 # 5 1302.0 e liu908 6007
HB3 80 TYR HB2 2.50 # 5 196900.0 e liu908 7639
HB3 80 TYR HB3 3.90 # 5 13480.0 e liu908 6008
HB3 80 TYR QD 5.00 <# r 5 65500.0*2e liu908 6005
HB3 80 TYR QE 7.30 # r 5 1977.0*2e liu908 6009
HB3 82 THR HN 6.00 # w 5 933.0 e liu908 5991
HB3 82 THR HB 6.00 # w 5 157.0 e liu908 9054
HB3 82 THR QG2 5.10 ># 5M 37140.0 e liu908 5997
58 GLN
HN 58 GLN HA 3.60 # 2 40260.0 e liu908 50
HN 58 GLN HB2 4.50 # 2 9749.0 e liu908 3151
HN 58 GLN HB3 4.40 # 2 12090.0 e liu908 3152
HN 58 GLN HG2 3.00 # 1 39200.0 e liu908 3163
HN 58 GLN HG3 2.60 # 1 80010.0 e liu908 3164
HN 58 GLN HE21 4.00 <# 1 6141.0 e liu908 3198
HN 58 GLN HE22 5.40 ># 1 1026.0 e liu908 3197
HN 59 SER HN 3.10 # 2 99700.0 e liu908 3243
HN 59 SER HA 4.60 # 2 8759.0 e liu908 3242
HN 59 SER QB 6.80 # m 2 2102.0*2e liu908 3257
HN 60 ASP- HN 5.20 # 3 5128.0 e liu908 6018
HN 79 ALA HA 5.50 # 4 2662.0 e liu908 6033
HN 80 TYR HN 6.00 # w 4 952.0 e liu908 6041
HA 58 GLN HB2 3.20 # 2 73950.0 e liu908 3157
HA 58 GLN HB3 3.20 # 2 84320.0 e liu908 3159
HA 58 GLN HG2 3.80 # 1 9081.0 e liu908 3167
HA 58 GLN HG3 3.60 # 1 11580.0 e liu908 3166
HA 58 GLN HE21 5.90 # 1 624.0 e liu908 3200
HA 59 SER HN 3.50 # 2 49000.0 e liu908 3244
HA 59 SER HA 6.00 # w 2 642.0 e liu908 7938
HA 59 SER QB 7.00 # m w 2 730.5*2e liu908 7943
HA 60 ASP- HN 4.40 # 3 14850.0 e liu908 6021
HA 61 GLN HN 5.30 # 3 4475.0 e liu908 7070
HA 61 GLN QB 7.00 # m w 3 1315.5*2e liu908 8645
HA 74 VAL QG2 7.00 # w 5M 1455.0 e liu908 8543
HA 79 ALA HA 3.40 # 4 53290.0 e liu908 6029
HA 79 ALA QB 6.50 # 5M 9485.0 e liu908 6031
HA 80 TYR HN 4.10 # 4 17640.0 e liu908 6043
HA 80 TYR HB2 5.90 # 5 1094.0 e liu908 6048
HA 80 TYR QD 8.00 # r w 5 710.5*2e liu908 6046
HA 80 TYR QE 8.00 # r w 5 666.5*2e liu908 6045
HB2 58 GLN HG2 3.10 # 1 28010.0 e liu908 3168
HB2 58 GLN HG3 2.60 # 1 80530.0 e liu908 3172
HB2 58 GLN HE21 4.30 # 1 4178.0 e liu908 3202
HB2 58 GLN HE22 4.70 # 1 2519.0 e liu908 3215
HB2 59 SER HN 5.50 # 2 2852.0 e liu908 3247
HB2 61 GLN HN 4.50 # 3 13020.0 e liu908 8431
HB2 61 GLN HE21 5.40 # 5 1863.0 e liu908 9007
HB2 61 GLN HE22 6.00 # w 5 867.0 e liu908 9008
HB2 74 VAL QG2 7.00 # w 5M 1567.0 e liu908 6060
HB2 75 LEU HN 6.00 ># w 5 632.0 e liu908 8883
HB2 79 ALA HN 6.00 # w 5 171.0 e liu908 7663
HB2 79 ALA HA 4.20 # 5 8765.0 e liu908 6036
HB2 79 ALA QB 6.30 # 5M 11050.0 e liu908 6039
HB2 80 TYR HN 5.70 ># 5 1374.0 e liu908 6051
HB3 58 GLN HG2 3.00 # 1 34730.0 e liu908 3177
HB3 58 GLN HG3 3.40 # 1 15810.0 e liu908 3176
HB3 58 GLN HE21 5.40 # 1 1006.0 e liu908 3204
HB3 58 GLN HE22 5.00 # 1 1735.0 e liu908 3210
HB3 59 SER HN 6.00 # w 2 1537.0 e liu908 3249
HB3 74 VAL HA 6.00 # w 5 929.0 e liu908 7715
HB3 74 VAL QG2 7.00 # w 5M 3527.0 e liu908 7722
HB3 75 LEU HN 5.00 <# 5 3055.0 e liu908 8884
HB3 79 ALA HA 3.70 # 5 19990.0 e liu908 6037
HB3 79 ALA QB 5.80 # 5M 18160.0 e liu908 7665
HB3 80 TYR HN 4.60 <# 5 5140.0 e liu908 6050
HG2 58 GLN HE21 2.90 # 1 41510.0 e liu908 3212
HG2 58 GLN HE22 4.00 # 1 6078.0 e liu908 3213
HG2 59 SER HN 5.20 # 5 2349.0 e liu908 3246
HG2 59 SER HA 6.00 ># w 5 260.0 e liu908 7940
HG2 61 GLN HE21 5.90 # 5 1086.0 e liu908 9006
HG2 61 GLN HE22 5.30 # 5 3105.0 e liu908 9009
HG2 74 VAL HA 4.80 <# 5 3649.0 e liu908 7717
HG3 58 GLN HE21 2.70 # 1 71770.0 e liu908 3216
HG3 58 GLN HE22 3.70 # 1 9703.0 e liu908 3209
HG3 59 SER HN 5.10 # 5 2761.0 e liu908 3248
HG3 59 SER HA 5.00 <# 5 2891.0 e liu908 7942
HG3 61 GLN HN 6.00 # w 5 580.0 e liu908 9051
HG3 61 GLN HE21 5.90 # 5 1130.0 e liu908 8985
HG3 74 VAL HA 6.00 ># w 5 821.0 e liu908 7716
HG3 74 VAL QG2 7.00 # w 5M 326.0 e liu908 7724
HG3 79 ALA HA 6.00 # w 5 644.0 e liu908 7664
HG3 79 ALA QB 7.00 # w 5M 1464.0 e liu908 7667
HE21 69 MET HA 4.40 ># 5 6048.0 e liu908 6068
HE21 69 MET HB2 5.20 # 5 2341.0 e liu908 6072
HE21 69 MET HB3 4.30 # 5 7665.0 e liu908 6070
HE21 69 MET HG2 3.40 # 5 28930.0 e liu908 6082
HE21 69 MET HG3 4.40 # 5 6125.0 e liu908 6073
HE21 69 MET QE 7.00 ># w 5M 2148.0 e liu908 8624
HE21 74 VAL HA 3.80 ># 5 14850.0 e liu908 6061
HE21 74 VAL QG1 6.60 # 5M 8284.0 e liu908 6058
HE21 74 VAL QG2 7.00 # w 5M 3478.0 e liu908 6059
HE21 75 LEU HN 6.00 ># w 5 652.0 e liu908 8879
HE22 64 LEU HB2 3.90 # 5 12780.0 e liu908 6089
HE22 64 LEU HB3 4.20 # 5 8539.0 e liu908 6092
HE22 64 LEU QD2 5.50 # 5M 24440.0 e liu908 9000
HE22 69 MET HN 5.30 # 5 2008.0 e liu908 6085
HE22 69 MET HA 3.80 <# 5 15850.0 e liu908 6069
HE22 69 MET HB2 6.00 # 5 954.0 e liu908 6078
HE22 69 MET HB3 4.60 # 5 5227.0 e liu908 6071
HE22 69 MET HG2 3.70 # 5 18540.0 e liu908 6076
HE22 69 MET HG3 4.00 # 5 11070.0 e liu908 6074
HE22 69 MET QE 4.70 <# 5M 64220.0 e liu908 8627
HE22 74 VAL HN 5.30 # 5 1990.0 e liu908 7713
HE22 74 VAL HA 2.80 <# 5 102200.0 e liu908 6062
HE22 74 VAL HB 4.50 # 5 5711.0 e liu908 7720
HE22 74 VAL QG1 6.40 # 5M 9958.0 e liu908 6055
HE22 74 VAL QG2 6.50 # 5M 9165.0 e liu908 6057
HE22 75 LEU HN 4.80 <# 5 3788.0 e liu908 8877
59 SER
HN 59 SER HA 3.20 # 2 73890.0 e liu908 53
HN 59 SER QB 4.10 # i 2 44305.0*2e liu908 3221
HN 60 ASP- HN 3.80 # 2 29930.0 e liu908 3261
HN 60 ASP- QB 7.00 # m w 2 492.0*2e liu908 7933
HN 61 GLN HN 5.30 # 3 6072.0 e liu908 8434
HN 80 TYR HN 5.70 # 4 2229.0 e liu908 6095
HN 80 TYR QD 8.00 # r 5 942.5*2e liu908 6098
HN 80 TYR QE 8.00 # r w 5 225.0*2e liu908 6099
HA 59 SER QB 4.50 # m 2 45645.0*2e liu908 3224
HA 60 ASP- HN 3.80 # 2 27310.0 e liu908 3259
HA 60 ASP- HA 6.00 # w 2 190.0 e liu908 7932
HA 61 GLN HN 4.50 # 3 13010.0 e liu908 8436
QB 60 ASP- HN 5.40 # m 2 10825.0*2e liu908 3260
QB 60 ASP- HA 7.00 # m w 2 307.0*2e liu908 3264
60 ASP-
HN 60 ASP- HA 3.60 # 2 39600.0 e liu908 31
HN 60 ASP- QB 5.20 # i 2 8970.0*2e liu908 3228
HN 61 GLN HN 3.30 # 2 66440.0 e liu908 8438
HA 60 ASP- QB 4.70 # i 2 16375.0*2e liu908 3227
HA 61 GLN HN 5.00 # 2 4984.0 e liu908 8440
QB 61 GLN HN 6.20 # m 2 4367.0*2e liu908 8441
QB 78 HIS HB2 6.40 <# m 5 1790.5*2e liu908 9047
QB 78 HIS HB3 7.00 ># m w 5 79.5*2e liu908 9049
QB 80 TYR QE 9.00 # mrw 5 489.5*4e liu908 9045
61 GLN
HN 61 GLN HA 5.40 # 2 3403.0 e liu908 22
HN 61 GLN QB 4.30 # i 2 31640.0*2e liu908 8646
HN 61 GLN QG 5.20 # m 1 4935.5*2e liu908 8430
HN 61 GLN HE21 4.90 # 1 2567.0 e liu908 8918
HA 61 GLN QB 7.00 # m w 2 464.5*2e liu908 8648
QB 61 GLN QG 6.60 # mm 1 2660.0*4e liu908 9032
QB 61 GLN HE21 4.50 <# m 1 13580.0*2e liu908 8925
QB 61 GLN HE22 7.00 ># m w 1 310.5*2e liu908 8923
QB 64 LEU HN 7.00 # m w 3 244.0*2e liu908 9059
QG 61 GLN HE21 5.00 # m 1 6670.0*2e liu908 9030
QG 69 MET QE 8.00 # m w 5M 1987.5*2e liu908 9034
HE21 64 LEU HN 3.20 # 5 41920.0 e liu908 8917
HE21 64 LEU HB2 4.20 # 5 8665.0 e liu908 8986
HE21 64 LEU HB3 5.70 # 5 1331.0 e liu908 8987
HE21 64 LEU QD2 5.90 # 5M 16740.0 e liu908 8988
HE21 65 ASP- HN 6.00 # w 5 340.0 e liu908 8989
HE21 65 ASP- HA 6.00 # w 5 116.0 e liu908 8990
HE21 69 MET HG2 4.70 # 5 4104.0 e liu908 8982
HE21 69 MET HG3 5.70 # 5 1303.0 e liu908 8981
HE21 69 MET QE 4.90 # 5M 48720.0 e liu908 8984
63 PHE
HN 64 LEU HN 4.20 # 2 14990.0 e liu908 6981
HA 63 PHE QB 6.20 # m 2 4074.0*2e liu908 7128
HA 63 PHE QD 7.00 # m w 1 112.0*2e liu908 7125
HA 63 PHE QE 6.60 # i w 1 204.0*2e liu908 7135
QB 63 PHE QD 8.30 # mr 1 1204.8*4e liu908 7126
QB 63 PHE QE 9.00 # mrw 1 425.5*4e liu908 7136
QB 96 VAL QG1 8.00 # m w 5M 1689.5*2e liu908 7148
QD 63 PHE QE 7.00 # rr 1 35625.0*4e liu908 7119
QD 63 PHE HZ 6.20 # r 1 5075.0*2e liu908 7117
QD 64 LEU HN 5.60 # r 5 22125.0*2e liu908 6982
QD 64 LEU HB2 8.00 # r w 5 288.5*2e liu908 7924
QD 64 LEU QD2 9.00 # r w 5M 491.0*2e liu908 7921
QD 68 GLN HE21 7.90 <# r 5 1144.0*2e liu908 7893
QD 68 GLN HE22 8.00 ># r w 5 221.5*2e liu908 7891
QD 95 ILE QG2 9.00 # r w 5M 943.0*2e liu908 7158
QD 95 ILE HG13 8.00 # r w 5 134.5*2e liu908 7154
QD 95 ILE QD1 9.00 # r w 5M 1378.0*2e liu908 7157
QD 96 VAL HA 7.90 # r 5 1134.5*2e liu908 7133
QD 96 VAL QG1 9.00 <# r w 5M 3435.0*2e liu908 7142
QD 96 VAL QG2 9.00 ># r w 5M 455.5*2e liu908 7144
QE 63 PHE HZ 5.30 # r 1 20890.0*2e liu908 7118
QE 64 LEU HA 7.50 # r 5 1632.5*2e liu908 7914
QE 64 LEU HB2 6.70 <# r 5 4234.0*2e liu908 7916
QE 64 LEU HB3 8.00 ># r w 5 909.0*2e liu908 7917
QE 64 LEU QD2 9.00 # r w 5M 3821.5*2e liu908 7918
QE 68 GLN HE21 7.40 <# r 5 1815.0*2e liu908 7892
QE 68 GLN HE22 8.00 ># r w 5 689.0*2e liu908 7890
QE 95 ILE QG2 9.00 # r w 5M 4370.5*2e liu908 7164
QE 95 ILE HG13 8.00 # r w 5 444.0*2e liu908 7160
QE 95 ILE QD1 8.70 # r 5M 7485.0*2e liu908 7155
QE 96 VAL HA 8.00 # r w 5 320.0*2e liu908 7134
QE 96 VAL QG1 9.00 <# r w 5M 2029.5*2e liu908 7137
QE 96 VAL QG2 9.00 ># r w 5M 256.0*2e liu908 7143
HZ 64 LEU HN 6.00 # w 5 643.0 e liu908 7130
HZ 95 ILE QG2 7.00 # w 5M 552.0 e liu908 7165
HZ 95 ILE QD1 7.00 # w 5M 1231.0 e liu908 7166
64 LEU
HN 64 LEU HA 4.70 # 2 7825.0 e liu908 3
HN 64 LEU HB2 3.30 <# 2 62330.0 e liu908 3273
HN 64 LEU HB3 4.10 ># 2 18140.0 e liu908 3275
HN 64 LEU QD2 5.20 # 1M 16290.0 e liu908 6984
HN 65 ASP- HN 5.10 # 2 4837.0 e liu908 3401
HN 69 MET HG2 6.00 # w 5 430.0 e liu908 6103
HN 69 MET HG3 6.00 # w 5 604.0 e liu908 6102
HN 69 MET QE 7.00 # w 5M 1706.0 e liu908 8632
HA 64 LEU HB2 3.40 # 2 59620.0 e liu908 3267
HA 64 LEU HB3 3.30 # 2 67050.0 e liu908 3268
HA 64 LEU QD2 4.30 # 1M 131200.0 e liu908 6987
HA 65 ASP- HN 2.70 # 2 208800.0 e liu908 3277
HA 65 ASP- HB2 5.80 # 2 2038.0 e liu908 7913
HA 68 GLN HE21 5.70 ># 5 1329.0 e liu908 6667
HA 68 GLN HE22 4.50 <# 5 5356.0 e liu908 6668
HB2 64 LEU QD2 4.10 # 1M 65730.0 e liu908 7753
HB2 65 ASP- HN 4.40 # 2 11970.0 e liu908 3402
HB2 69 MET HN 4.80 # 5 3738.0 e liu908 6112
HB2 69 MET HG3 3.40 # 5 30930.0 e liu908 6105
HB2 69 MET QE 4.70 <# 5M 62210.0 e liu908 9068
HB3 64 LEU QD2 3.80 # 1M 104200.0 e liu908 7754
HB3 65 ASP- HN 3.80 # 2 28430.0 e liu908 3403
HB3 68 GLN HN 4.80 # 3 8456.0 e liu908 7853
HB3 69 MET HN 4.90 # 5 3449.0 e liu908 6110
HB3 69 MET HG3 3.40 # 5 29750.0 e liu908 6106
HB3 69 MET QE 6.90 ># 5M 6597.0 e liu908 9066
HB3 73 TYR HB3 6.00 # w 5 907.0 e liu908 7765
HB3 95 ILE QD1 6.40 # 5M 9661.0 e liu908 6116
QD2 65 ASP- HN 5.00 # 5M 45980.0 e liu908 7910
QD2 68 GLN HN 7.00 # w 5M 5000.0 e liu908 7854
QD2 68 GLN HB2 6.00 # 5M 14930.0 e liu908 7857
QD2 68 GLN HB3 4.70 # 5M 61740.0 e liu908 9075
QD2 68 GLN HE21 7.00 # w 5M 3225.0 e liu908 7860
QD2 68 GLN HE22 6.80 # 5M 6858.0 e liu908 7861
QD2 69 MET HN 6.90 # 5M 6536.0 e liu908 9080
QD2 69 MET HG2 6.00 # 5M 14670.0 e liu908 9062
QD2 69 MET HG3 5.80 # 5M 18420.0 e liu908 9063
QD2 69 MET QE 5.90 # m 5M 50890.0 e liu908 9060
QD2 73 TYR HN 6.90 # 5M 6605.0 e liu908 9069
QD2 73 TYR HB2 6.70 # 5M 7356.0 e liu908 7746
QD2 73 TYR HB3 5.80 # 5M 18470.0 e liu908 7743
QD2 73 TYR QD 7.80 # r 5M 18310.0*2e liu908 9003
QD2 73 TYR QE 9.00 # r w 5M 422.0*2e liu908 9071
QD2 74 VAL HA 6.60 # 5M 8009.0 e liu908 9076
QD2 74 VAL QG2 5.50 # m 5M 79780.0 e liu908 9077
QD2 75 LEU HN 7.00 # w 5M 3626.0 e liu908 9073
QD2 95 ILE QG2 6.50 # m 5M 25980.0 e liu908 7169
QD2 95 ILE QD1 5.20 # m 5M 126700.0 e liu908 7172
65 ASP-
HN 65 ASP- HA 3.50 # 2 44120.0 e liu908 49
HN 65 ASP- HB2 3.40 <# 2 50050.0 e liu908 3413
HN 65 ASP- HB3 4.20 ># 2 15880.0 e liu908 3412
HN 66 ASP- HN 4.80 # 2 6948.0 e liu908 3408
HN 68 GLN HN 4.00 # 3 23330.0 e liu908 7867
HN 68 GLN HB2 4.00 <# 3 26220.0 e liu908 7874
HN 68 GLN HB3 5.10 ># 3 5423.0 e liu908 7877
HN 68 GLN HG2 4.80 # 5 3822.0 e liu908 7879
HN 68 GLN HG3 4.50 # 5 5842.0 e liu908 7881
HN 68 GLN HE21 5.10 # 5 2514.0 e liu908 6664
HN 68 GLN HE22 4.80 # 5 3691.0 e liu908 6661
HN 69 MET HN 4.80 # 3 8782.0 e liu908 6208
HA 65 ASP- HB2 3.00 # 2 118100.0 e liu908 3415
HA 65 ASP- HB3 2.90 # 2 150500.0 e liu908 3414
HA 66 ASP- HN 2.90 # 2 135400.0 e liu908 3409
HA 66 ASP- HA 5.80 # 2 2037.0 e liu908 3411
HA 67 GLU- HN 6.00 # w 3 262.0 e liu908 6203
HA 68 GLN HN 5.40 # 3 4208.0 e liu908 7869
HA 68 GLN HB2 6.00 # w 3 1448.0 e liu908 7875
HA 69 MET HB2 6.00 # w 3 1079.0 e liu908 6210
HB2 66 ASP- HN 3.60 ># 2 40430.0 e liu908 3422
HB2 67 GLU- HN 5.60 ># 3 3105.0 e liu908 6207
HB2 68 GLN HN 5.90 # 3 2313.0 e liu908 7873
HB2 68 GLN HE22 6.00 # w 5 231.0 e liu908 7884
HB3 66 ASP- HN 2.80 <# 2 164400.0 e liu908 4021
HB3 66 ASP- HA 6.00 # w 2 1627.0 e liu908 7906
HB3 66 ASP- HB2 4.70 # 5 4196.0 e liu908 7909
HB3 67 GLU- HN 4.30 <# 3 15190.0 e liu908 6204
HB3 68 GLN HN 5.70 # 3 2843.0 e liu908 7870
66 ASP-
HN 66 ASP- HA 3.30 # 2 68460.0 e liu908 21
HN 66 ASP- HB2 3.10 <# 2 103400.0 e liu908 2518
HN 66 ASP- HB3 3.60 ># 2 36740.0 e liu908 2523
HN 67 GLU- HN 3.40 # 2 50610.0 e liu908 3426
HN 67 GLU- HB2 6.00 # w 2 819.0 e liu908 7900
HN 67 GLU- HB3 6.00 # w 2 1044.0 e liu908 7901
HN 67 GLU- HG2 6.00 ># w 5 166.0 e liu908 7886
HN 67 GLU- HG3 6.00 <# w 5 422.0 e liu908 7904
HN 68 GLN HN 4.90 # 3 7444.0 e liu908 6221
HN 68 GLN HG3 6.00 # w 5 515.0 e liu908 7885
HN 69 MET HN 6.00 # w 3 1271.0 e liu908 7848
HA 66 ASP- HB2 3.60 # 2 40350.0 e liu908 2526
HA 66 ASP- HB3 3.20 # 2 80160.0 e liu908 2525
HA 67 GLU- HN 4.50 # 2 10000.0 e liu908 4137
HA 68 GLN HN 5.10 # 3 5404.0 e liu908 7823
HA 69 MET HN 4.40 # 3 13950.0 e liu908 6215
HA 69 MET HB2 3.70 <# 3 39190.0 e liu908 6217
HA 69 MET HB3 4.50 ># 3 12770.0 e liu908 6218
HA 70 ASP- HN 4.70 # 3 9869.0 e liu908 6224
HB2 67 GLU- HN 3.70 <# 2 33910.0 e liu908 3427
HB2 67 GLU- HA 6.00 <# 2 1755.0 e liu908 7898
HB3 67 GLU- HN 4.50 ># 2 9797.0 e liu908 3430
HB3 67 GLU- HA 6.00 ># w 2 663.0 e liu908 7899
67 GLU-
HN 67 GLU- HA 3.40 # 2 55110.0 e liu908 56
HN 67 GLU- HB2 3.00 <# 2 127500.0 e liu908 954
HN 67 GLU- HB3 3.50 ># 2 42760.0 e liu908 962
HN 67 GLU- HG2 3.50 ># 1 13550.0 e liu908 952
HN 67 GLU- HG3 2.80 <# 1 53170.0 e liu908 951
HN 68 GLN HN 3.20 # 2 86510.0 e liu908 6226
HN 69 MET HN 4.40 # 3 14150.0 e liu908 4022
HN 70 ASP- HN 5.60 # 3 3363.0 e liu908 7827
HA 67 GLU- HB2 3.70 # 2 32840.0 e liu908 959
HA 67 GLU- HB3 3.30 # 2 68320.0 e liu908 957
HA 67 GLU- HG2 3.10 <# 1 28000.0 e liu908 958
HA 67 GLU- HG3 3.70 ># 1 10720.0 e liu908 964
HA 68 GLN HN 4.20 # 2 15340.0 e liu908 6227
HA 68 GLN HA 6.00 # w 2 558.0 e liu908 7830
HA 69 MET HN 5.10 # 3 5780.0 e liu908 4024
HA 70 ASP- HN 4.10 # 3 22160.0 e liu908 7828
HA 70 ASP- HA 6.00 # w 3 775.0 e liu908 6240
HA 70 ASP- HB2 4.00 # 3 24770.0 e liu908 6233
HA 70 ASP- HB3 3.60 # 3 46990.0 e liu908 6232
HA 71 ALA QB 7.00 # 3M 646.0 e liu908 6242
HB2 67 GLU- HG2 3.10 # 1 29090.0 e liu908 7074
HB2 67 GLU- HG3 2.60 # 1 80310.0 e liu908 7084
HB2 68 GLN HN 3.70 # 2 31580.0 e liu908 7343
HB2 68 GLN HA 4.60 # 2 9058.0 e liu908 7833
HB2 68 GLN HG3 3.80 # 5 15710.0 e liu908 7837
HB3 67 GLU- HG2 2.80 # 1 58020.0 e liu908 7077
HB3 67 GLU- HG3 3.00 # 1 37160.0 e liu908 7083
HB3 68 GLN HN 3.80 # 2 29470.0 e liu908 6238
HB3 68 GLN HA 5.10 # 2 4524.0 e liu908 7840
HB3 68 GLN HG3 5.00 # 5 3142.0 e liu908 7841
HG2 68 GLN HN 4.20 ># 5 8681.0 e liu908 7836
HG3 68 GLN HN 3.30 <# 5 35660.0 e liu908 6235
68 GLN
HN 68 GLN HA 3.80 # 2 29120.0 e liu908 6706
HN 68 GLN HB2 2.90 <# 2 139000.0 e liu908 6709
HN 68 GLN HB3 3.50 ># 2 44210.0 e liu908 6711
HN 68 GLN HG2 3.40 ># 1 16100.0 e liu908 6714
HN 68 GLN HG3 2.40 <# 1 148800.0 e liu908 6708
HN 68 GLN HE21 4.80 # 1 2176.0 e liu908 6932
HN 68 GLN HE22 5.40 # 1 1074.0 e liu908 6931
HN 69 MET HN 3.30 # 2 71410.0 e liu908 7817
HN 69 MET QE 7.00 # w 5M 2374.0 e liu908 8629
HN 71 ALA QB 4.90 # 3M 5521.0 e liu908 8424
HN 95 ILE QG2 7.00 # w 5M 1366.0 e liu908 8515
HA 68 GLN HB2 3.20 # 2 75550.0 e liu908 6957
HA 68 GLN HB3 3.10 # 2 90120.0 e liu908 7090
HA 68 GLN HG2 2.80 # 1 62360.0 e liu908 7089
HA 68 GLN HG3 2.80 # 1 60690.0 e liu908 7088
HA 68 GLN HE21 5.20 # 1 1293.0 e liu908 7091
HA 69 MET HN 3.90 # 2 23960.0 e liu908 7843
HA 70 ASP- HN 4.90 # 3 7112.0 e liu908 7815
HA 71 ALA HN 3.90 # 3 29270.0 e liu908 7808
HA 71 ALA QB 3.30 # s 3M 64390.0 e liu908 7812
HA 72 GLY HN 6.00 # w 3 .0 e liu908 7800
HA 73 TYR HN 4.50 # 4 9757.0 e liu908 7756
HA 73 TYR HB2 4.30 # 5 7023.0 e liu908 7760
HA 73 TYR QD 5.60 # r 5 22630.0*2e liu908 7766
HA 73 TYR QE 6.50 # r 5 5385.0*2e liu908 7777
HA 95 ILE QG2 7.00 # w 5M 4396.0 e liu908 6114
HA 95 ILE QD1 7.00 # w 5M 2603.0 e liu908 6113
HB2 68 GLN HG2 3.10 # 1 32020.0 e liu908 6688
HB2 68 GLN HG3 3.00 # 1 33690.0 e liu908 6687
HB2 68 GLN HE21 4.50 # 1 3153.0 e liu908 6675
HB2 68 GLN HE22 4.60 # 1 2844.0 e liu908 6672
HB2 69 MET HN 3.40 <# 2 50900.0 e liu908 6702
HB2 69 MET HA 4.80 # 2 6695.0 e liu908 7846
HB2 71 ALA HN 6.00 ># w 3 171.0 e liu908 7810
HB2 73 TYR HB2 3.60 # 5 20600.0 e liu908 7762
HB2 73 TYR QD 6.10 # r 5 9375.0*2e liu908 7774
HB2 95 ILE QG2 7.00 ># w 5M 2486.0 e liu908 8528
HB3 68 GLN HG2 2.70 # 1 70020.0 e liu908 6697
HB3 68 GLN HG3 3.00 # 1 37670.0 e liu908 6685
HB3 68 GLN HE21 4.40 # 1 3620.0 e liu908 6694
HB3 68 GLN HE22 4.80 # 1 2190.0 e liu908 6671
HB3 69 MET HN 4.40 ># 2 11580.0 e liu908 6701
HB3 69 MET HA 4.80 # 2 7146.0 e liu908 7845
HB3 71 ALA HN 5.80 <# 3 2726.0 e liu908 7811
HB3 71 ALA QB 7.00 # w 5M 3544.0 e liu908 7814
HB3 73 TYR HN 5.50 # 5 1715.0 e liu908 7757
HB3 73 TYR HB2 3.50 # 5 26790.0 e liu908 7763
HB3 73 TYR HB3 4.00 # 5 10710.0 e liu908 7764
HB3 73 TYR QD 5.70 # r 5 18415.0*2e liu908 7768
HB3 95 ILE HB 3.10 # 5 55930.0 e liu908 8521
HB3 95 ILE QG2 6.70 <# 5M 7409.0 e liu908 8523
HG2 68 GLN HE21 2.60 # 1 87320.0 e liu908 6690
HG2 68 GLN HE22 3.60 # 1 13260.0 e liu908 6670
HG2 69 MET HN 5.70 ># 5 1321.0 e liu908 6704
HG2 73 TYR QD 6.10 # r 5 10650.0*2e liu908 7776
HG2 73 TYR QE 5.90 <# r 5 13260.0*2e liu908 7782
HG2 95 ILE QG2 5.50 # 5M 25200.0 e liu908 8517
HG2 95 ILE HG12 5.90 # 5 1103.0 e liu908 8557
HG2 95 ILE HG13 5.40 # 5 1854.0 e liu908 8520
HG2 95 ILE QD1 7.00 # w 5M 1069.0 e liu908 8518
HG3 68 GLN HE21 2.90 # 1 47720.0 e liu908 6674
HG3 68 GLN HE22 3.70 # 1 10620.0 e liu908 6669
HG3 69 MET HN 4.40 <# 5 6318.0 e liu908 6703
HG3 73 TYR QD 6.60 # r 5 5040.0*2e liu908 7772
HG3 73 TYR QE 8.00 ># r 5 1008.5*2e liu908 7779
HG3 95 ILE HG13 6.00 # w 5 .0 e liu908 8558
HE21 95 ILE HA 3.60 <# 5 23730.0 e liu908 8492
HE21 95 ILE HB 3.80 # 5 14750.0 e liu908 8493
HE21 95 ILE QG2 5.60 # 5M 23130.0 e liu908 8494
HE21 95 ILE HG12 5.70 # 5 1325.0 e liu908 8497
HE21 95 ILE HG13 4.30 # 5 7816.0 e liu908 8508
HE21 95 ILE QD1 7.00 # w 5M 2406.0 e liu908 8495
HE22 73 TYR QD 8.00 # r 5 994.0*2e liu908 8532
HE22 95 ILE HA 4.40 ># 5 6270.0 e liu908 8498
HE22 95 ILE HB 3.50 # 5 27420.0 e liu908 8499
HE22 95 ILE QG2 5.70 # 5M 21040.0 e liu908 8513
HE22 95 ILE HG12 6.00 # w 5 519.0 e liu908 8501
HE22 95 ILE HG13 6.00 # w 5 933.0 e liu908 8500
HE22 95 ILE QD1 7.00 # w 5M 3211.0 e liu908 8502
69 MET
HN 69 MET HA 3.70 # 2 33730.0 e liu908 25
HN 69 MET HB2 3.10 # 2 88060.0 e liu908 2491
HN 69 MET HB3 3.50 # 2 42910.0 e liu908 2493
HN 69 MET HG2 3.40 ># 1 18760.0 e liu908 2492
HN 69 MET HG3 2.80 <# 1 57500.0 e liu908 2490
HN 69 MET QE 5.80 # 1M 8493.0 e liu908 8612
HN 70 ASP- HN 3.10 # 2 91170.0 e liu908 4026
HN 71 ALA HN 4.90 # 3 7377.0 e liu908 6244
HN 72 GLY HN 6.00 # w 3 921.0 e liu908 6249
HN 73 TYR HB2 5.90 # 3 2273.0 e liu908 7784
HN 73 TYR QD 7.20 # r 5 2353.5*2e liu908 6087
HA 69 MET HB2 3.40 # 2 54080.0 e liu908 2500
HA 69 MET HB3 3.00 # 2 106900.0 e liu908 2502
HA 69 MET HG2 3.00 <# 1 40840.0 e liu908 2501
HA 69 MET HG3 3.70 ># 1 10110.0 e liu908 2499
HA 69 MET QE 5.90 # 1M 7269.0 e liu908 8615
HA 70 ASP- HN 4.00 # 2 19650.0 e liu908 4027
HA 70 ASP- HA 5.40 # 2 3161.0 e liu908 4035
HA 71 ALA HN 4.50 # 3 12950.0 e liu908 6246
HA 72 GLY HN 4.50 # 3 11840.0 e liu908 6250
HA 72 GLY HA1 6.00 # w 3 698.0 e liu908 6253
HA 72 GLY HA2 6.00 # w 3 630.0 e liu908 6252
HA 73 TYR HN 3.80 # 3 36680.0 e liu908 6258
HA 73 TYR HB2 4.00 <# 3 26320.0 e liu908 6261
HA 73 TYR HB3 5.20 ># 3 4991.0 e liu908 6260
HA 73 TYR QD 6.60 # r 5 4681.0*2e liu908 7788
HB2 69 MET HG2 3.10 # 1 32590.0 e liu908 2509
HB2 69 MET HG3 2.80 # 1 54820.0 e liu908 2504
HB2 69 MET QE 5.60 # 1M 10070.0 e liu908 8617
HB2 70 ASP- HN 3.60 # 2 42010.0 e liu908 4028
HB2 70 ASP- HA 6.00 # w 2 757.0 e liu908 7821
HB2 71 ALA HN 5.20 # 3 5069.0 e liu908 6248
HB3 69 MET HG2 2.70 # 1 73650.0 e liu908 7096
HB3 69 MET HG3 3.20 # 1 26920.0 e liu908 2515
HB3 69 MET QE 7.00 # w 1M .0 e liu908 8619
HB3 70 ASP- HN 3.60 # 2 35490.0 e liu908 4029
HB3 70 ASP- HA 6.00 # 2 1702.0 e liu908 7820
HB3 71 ALA HN 5.40 # 3 4022.0 e liu908 7806
HB3 72 GLY HN 6.00 # w 3 1952.0 e liu908 6257
HG2 69 MET QE 4.60 ># 1M 34010.0 e liu908 8621
HG2 70 ASP- HN 5.60 ># 5 1575.0 e liu908 4030
HG3 69 MET QE 3.90 <# 1M 92340.0 e liu908 8616
HG3 70 ASP- HN 4.30 <# 5 7365.0 e liu908 7818
HG3 71 ALA HN 6.00 # w 5 .0 e liu908 7807
QE 70 ASP- HN 7.00 # w 5M 2960.0 e liu908 8628
70 ASP-
HN 70 ASP- HA 3.30 # 2 62430.0 e liu908 55
HN 70 ASP- HB2 3.30 # 2 61640.0 e liu908 932
HN 70 ASP- HB3 3.20 # 2 73090.0 e liu908 934
HN 71 ALA HN 3.20 # 2 77910.0 e liu908 4038
HN 71 ALA QB 5.00 # 2M 4949.0 e liu908 7804
HN 72 GLY HN 4.60 # 3 11260.0 e liu908 6265
HN 73 TYR HN 5.50 # 3 3462.0 e liu908 6271
HN 73 TYR QD 7.20 # r 5 2248.5*2e liu908 6274
HA 70 ASP- HB2 3.50 # 2 45530.0 e liu908 937
HA 70 ASP- HB3 3.30 # 2 65810.0 e liu908 936
HA 71 ALA HN 4.10 # 2 16960.0 e liu908 4042
HA 71 ALA QB 7.00 # w 2M 499.0 e liu908 4047
HA 72 GLY HN 4.40 # 3 14460.0 e liu908 6266
HA 72 GLY HA1 6.00 # w 3 359.0 e liu908 7801
HB2 71 ALA HN 4.20 # 2 14780.0 e liu908 4045
HB2 72 GLY HN 6.00 ># w 3 241.0 e liu908 6269
HB3 71 ALA HN 3.80 # 2 29890.0 e liu908 4039
HB3 72 GLY HN 6.00 <# w 3 1325.0 e liu908 6268
71 ALA
HN 71 ALA HA 3.30 # 2 60420.0 e liu908 68
HN 71 ALA QB 3.30 # s 2M 169600.0 e liu908 892
HN 72 GLY HN 3.80 # 2 28860.0 e liu908 4049
HN 73 TYR HN 4.20 # 3 19000.0 e liu908 6276
HN 73 TYR QD 6.10 # r 5 9425.0*2e liu908 6279
HN 73 TYR QE 8.00 # r w 5 650.5*2e liu908 6280
HA 71 ALA QB 3.30 # s 2M 271000.0 e liu908 888
HA 72 GLY HN 4.10 # 2 18310.0 e liu908 4048
HA 72 GLY HA2 4.60 # 2 8958.0 e liu908 7789
QB 72 GLY HN 3.50 # 2M 46860.0 e liu908 4050
QB 72 GLY HA1 5.70 # 2M 2187.0 e liu908 4054
QB 72 GLY HA2 5.70 # 2M 2248.0 e liu908 7790
QB 73 TYR HN 4.40 # 3M 10490.0 e liu908 6287
QB 73 TYR HB2 7.00 # w 5M 661.0 e liu908 6288
QB 73 TYR QD 7.00 # r 5M 44120.0*2e liu908 6281
QB 73 TYR QE 7.10 # r 5M 38935.0*2e liu908 6285
72 GLY
HN 72 GLY HA1 2.90 # 2 153600.0 e liu908 47
HN 72 GLY HA2 3.30 # 2 69820.0 e liu908 46
HN 73 TYR HN 3.00 # 2 118300.0 e liu908 4059
HN 73 TYR HA 5.20 # 2 3955.0 e liu908 4058
HN 73 TYR HB2 5.10 <# 2 4587.0 e liu908 4061
HN 73 TYR HB3 6.00 ># w 2 549.0 e liu908 7729
HN 73 TYR QD 6.60 # r 5 5070.0*2e liu908 7730
HA1 73 TYR HN 4.50 # 2 10330.0 e liu908 4057
HA1 73 TYR HA 5.90 <# 2 1888.0 e liu908 7727
HA1 73 TYR QD 7.60 # r 5 1430.0*2e liu908 7735
HA2 73 TYR HN 4.60 # 2 8699.0 e liu908 4056
HA2 73 TYR HA 6.00 ># w 2 203.0 e liu908 7728
HA2 73 TYR QD 8.00 # r w 5 865.0*2e liu908 7733
73 TYR
HN 73 TYR HA 3.50 # 2 46400.0 e liu908 79
HN 73 TYR HB2 3.00 <# 2 108800.0 e liu908 2476
HN 73 TYR HB3 4.10 ># 2 18840.0 e liu908 2475
HN 73 TYR QD 4.90 # r 1 48350.0*2e liu908 4069
HN 73 TYR QE 5.70 # m 1 2405.5*2e liu908 4073
HN 74 VAL HN 5.00 # 2 5274.0 e liu908 4194
HN 95 ILE QG2 7.00 # w 5M 1273.0 e liu908 6295
HA 73 TYR HB2 3.80 # 2 27050.0 e liu908 2481
HA 73 TYR HB3 3.30 # 2 65510.0 e liu908 2480
HA 73 TYR QD 3.70 # m 1 69400.0*2e liu908 4067
HA 73 TYR QE 5.00 # i 1 3690.0*2e liu908 4071
HA 74 VAL HN 3.00 # 2 106200.0 e liu908 4195
HA 74 VAL HB 4.70 # 2 7839.0 e liu908 7687
HA 74 VAL QG1 6.00 # 5M 14080.0 e liu908 7689
HB2 73 TYR QD 4.90 # r 1 45020.0*2e liu908 4062
HB2 73 TYR QE 6.20 # r 1 4530.5*2e liu908 4063
HB2 74 VAL HN 4.30 ># 2 12790.0 e liu908 4205
HB2 95 ILE QG2 6.50 # 5M 8945.0 e liu908 6297
HB3 73 TYR QD 4.80 # r 1 59900.0*2e liu908 4066
HB3 73 TYR QE 6.50 # r 1 3257.5*2e liu908 4070
HB3 74 VAL HN 3.70 <# 2 33830.0 e liu908 4196
HB3 74 VAL HA 5.10 # 2 4868.0 e liu908 7684
HB3 74 VAL QG1 7.00 # w 5M 2144.0 e liu908 6289
HB3 74 VAL QG2 7.00 # w 5M 4025.0 e liu908 6293
HB3 95 ILE QG2 6.10 # 5M 13660.0 e liu908 6298
QD 73 TYR QE 6.60 # rr 1 84125.0*4e liu908 4072
QD 74 VAL HN 5.80 # r 5 16800.0*2e liu908 4201
QD 91 LYS+ HA 8.00 # r w 5 548.0*2e liu908 7191
QD 91 LYS+ QB 7.30 # rm 5 7360.0*4e liu908 6326
QD 91 LYS+ HD2 8.00 # r w 5 767.0*2e liu908 8772
QD 94 GLU- QB 9.00 # rmw 5 83.5*4e liu908 7182
QD 95 ILE HA 8.00 # r w 5 701.5*2e liu908 8538
QD 95 ILE HB 8.00 # r w 5 479.5*2e liu908 8534
QD 95 ILE QG2 7.80 # r 5M 17220.0*2e liu908 6312
QD 95 ILE HG12 7.70 # r 5 1326.5*2e liu908 8535
QD 95 ILE QD1 9.00 # r w 5M 5210.0*2e liu908 6311
QE 74 VAL HN 7.90 # r 5 1096.5*2e liu908 4202
QE 91 LYS+ HN 7.80 # r 5 1556.0*2e liu908 7190
QE 91 LYS+ HA 6.50 # r 5 5590.0*2e liu908 6322
QE 91 LYS+ QB 6.90 # rm 5 13932.5*4e liu908 6325
QE 91 LYS+ HG2 7.60 ># r 5 1542.0*2e liu908 6328
QE 91 LYS+ HG3 5.50 <# r 5 27420.0*2e liu908 7193
QE 91 LYS+ HD2 6.10 # r 5 10290.0*2e liu908 8757
QE 91 LYS+ HD3 6.20 # r 5 8000.0*2e liu908 7197
QE 94 GLU- HN 7.30 # r 5 2205.5*2e liu908 7180
QE 94 GLU- QB 6.90 # rm 5 13717.5*4e liu908 6319
QE 94 GLU- QG 7.70 # rm 5 4262.5*4e liu908 9018
QE 95 ILE HA 8.00 # r 5 998.5*2e liu908 8539
QE 95 ILE HB 8.00 # r w 5 375.5*2e liu908 8537
QE 95 ILE QG2 8.10 # r 5M 13740.0*2e liu908 6313
QE 95 ILE HG12 8.00 # r 5 1034.0*2e liu908 6314
QE 95 ILE QD1 9.00 # r w 5M 1950.5*2e liu908 8536
74 VAL
HN 74 VAL HA 3.70 # 2 33450.0 e liu908 4176
HN 74 VAL HB 3.60 # 2 40420.0 e liu908 4184
HN 74 VAL QG1 4.10 <# 1M 66650.0 e liu908 4186
HN 74 VAL QG2 5.60 ># 1M 10700.0 e liu908 4166
HN 95 ILE QG2 7.00 # w 5M 1072.0 e liu908 8541
HA 74 VAL HB 3.60 # 2 37940.0 e liu908 4181
HA 74 VAL QG1 4.40 # 1M 43530.0 e liu908 4183
HA 74 VAL QG2 4.60 # 1M 35650.0 e liu908 4182
HA 75 LEU HN 3.90 # 2 25200.0 e liu908 8872
HA 95 ILE QG2 7.00 # w 5M 1761.0 e liu908 6307
HB 74 VAL QG1 3.60 <# 1M 144500.0 e liu908 4189
HB 74 VAL QG2 4.30 ># 1M 54640.0 e liu908 4192
HB 87 ILE QD1 7.00 # w 5M 4957.0 e liu908 6330
QG1 79 ALA QB 6.70 # m 5M 20870.0 e liu908 8491
QG2 75 LEU HN 6.50 # 5M 9441.0 e liu908 8873
QG2 79 ALA QB 6.30 # m 5M 31810.0 e liu908 6332
75 LEU
HN 75 LEU HA 4.20 # 2 15300.0 e liu908 5
HN 75 LEU HB3 5.50 # 2 2919.0 e liu908 6995
HN 75 LEU QD1 7.00 # w 1M 2283.0 e liu908 6994
HA 76 THR HN 6.00 # w 2 146.0 e liu908 8874
HB3 76 THR HN 6.00 # w 2 485.0 e liu908 8583
QD1 76 THR HN 7.00 # w 5M 3786.0 e liu908 8581
76 THR
HN 76 THR HA 6.00 # w 2 561.0 e liu908 6939
HA 76 THR HB 6.00 # w 2 1393.0 e liu908 8574
HB 76 THR QG2 7.00 # w 1M 852.0 e liu908 8575
78 HIS
HA 78 HIS HB3 4.60 # 2 8445.0 e liu908 8745
79 ALA
HN 79 ALA HA 4.70 # 2 7269.0 e liu908 59
HN 79 ALA QB 4.10 # 2M 16920.0 e liu908 919
HN 80 TYR HN 5.80 # 2 2210.0 e liu908 7606
HA 79 ALA QB 3.30 # s 2M 74910.0 e liu908 918
HA 80 TYR HN 2.80 # 2 198700.0 e liu908 4097
HA 80 TYR HA 6.00 # w 2 997.0 e liu908 4101
HA 80 TYR HB2 4.50 <# 2 9678.0 e liu908 7609
HA 80 TYR HB3 6.00 ># w 2 580.0 e liu908 7611
HA 80 TYR QD 7.90 # r 5 1067.0*2e liu908 4099
QB 80 TYR HN 4.00 # 2M 20310.0 e liu908 4104
QB 80 TYR HA 6.00 # 2M 1717.0 e liu908 7607
80 TYR
HN 80 TYR HA 3.60 # 2 39240.0 e liu908 62
HN 80 TYR HB2 3.10 <# 2 90260.0 e liu908 908
HN 80 TYR HB3 3.70 ># 2 30240.0 e liu908 900
HN 80 TYR QD 5.40 # r 1 18080.0*2e liu908 4085
HN 80 TYR QE 6.00 # m 1 1686.0*2e liu908 4088
HN 81 PRO HD2 5.20 # 5 2360.0 e liu908 4123
HN 81 PRO HD3 5.10 # 5 2767.0 e liu908 4124
HN 82 THR QG2 6.70 # 5M 7450.0 e liu908 6334
HA 80 TYR HB2 3.50 # 2 49840.0 e liu908 906
HA 80 TYR HB3 3.10 # 2 92410.0 e liu908 905
HA 80 TYR QD 3.80 # m 1 61150.0*2e liu908 4079
HA 80 TYR QE 5.00 # i 1 3369.5*2e liu908 4080
HA 81 PRO HG2 4.50 # 5 5631.0 e liu908 7533
HA 81 PRO HG3 4.20 # 5 9076.0 e liu908 7531
HA 81 PRO HD2 3.10 # 5 51020.0 e liu908 3281
HA 81 PRO HD3 3.10 # 5 55680.0 e liu908 3282
HB2 80 TYR QD 4.70 # r 1 70350.0*2e liu908 4087
HB2 80 TYR QE 6.00 <# r 1 6905.0*2e liu908 4090
HB2 82 THR QG2 6.10 <# 5M 12850.0 e liu908 7529
HB3 80 TYR QD 4.70 # r 1 64250.0*2e liu908 4093
HB3 80 TYR QE 6.60 ># r 1 2670.0*2e liu908 4094
HB3 81 PRO HD2 3.90 # 5 13000.0 e liu908 4131
HB3 81 PRO HD3 4.40 # 5 6767.0 e liu908 4132
HB3 82 THR QG2 7.00 ># w 5M 1297.0 e liu908 7530
QD 80 TYR QE 6.70 # rr 1 70950.0*4e liu908 4082
QD 81 PRO HD2 6.00 # r 5 10760.0*2e liu908 4125
QD 81 PRO HD3 6.30 # r 5 7240.0*2e liu908 4126
81 PRO
HA 81 PRO HB2 3.70 # 2 35350.0 e liu908 7487
HA 81 PRO HB3 3.80 # 2 27700.0 e liu908 7506
HA 81 PRO HG2 4.20 <# 1 5060.0 e liu908 7497
HA 81 PRO HG3 6.00 ># w 1 448.0 e liu908 7498
HA 81 PRO HD2 6.00 # w 1 492.0 e liu908 4106
HA 81 PRO HD3 5.60 # 1 842.0 e liu908 4107
HA 82 THR HN 3.20 # 2 81930.0 e liu908 4135
HA 85 VAL QQG 8.20 # 5M 6865.0*2e liu908 6336
HB2 81 PRO HG2 3.00 # 1 39040.0 e liu908 7489
HB2 81 PRO HG3 3.00 # 1 37180.0 e liu908 7492
HB2 81 PRO HD2 3.80 # 1 9210.0 e liu908 7493
HB2 81 PRO HD3 4.40 # 1 3434.0 e liu908 7494
HB2 82 THR HN 4.10 # 2 16440.0 e liu908 7501
HB2 83 SER HN 5.30 # 3 4672.0 e liu908 7499
HB3 81 PRO HG2 3.30 # 1 21510.0 e liu908 7510
HB3 81 PRO HG3 3.10 # 1 28000.0 e liu908 7514
HB3 81 PRO HD2 4.20 # 1 4555.0 e liu908 7511
HB3 81 PRO HD3 4.50 # 1 3076.0 e liu908 7512
HB3 82 THR HN 4.50 # 2 9789.0 e liu908 7520
HB3 83 SER HN 5.00 # 3 6526.0 e liu908 7519
HG2 81 PRO HD2 2.80 # 1 60780.0 e liu908 4158
HG2 81 PRO HD3 3.10 # 1 29500.0 e liu908 6951
HG3 81 PRO HD2 3.00 # 1 40510.0 e liu908 4159
HG3 81 PRO HD3 2.90 # 1 48160.0 e liu908 7490
82 THR
HN 82 THR HA 3.80 # 2 28870.0 e liu908 11
HN 82 THR HB 4.70 # 2 7727.0 e liu908 3278
HN 82 THR QG2 4.80 # 1M 26230.0 e liu908 3279
HN 83 SER HN 2.70 # 2 206900.0 e liu908 4149
HN 83 SER HA 5.00 # 2 5321.0 e liu908 7479
HN 83 SER HB2 4.80 # 2 6363.0 e liu908 7482
HN 85 VAL QQG 8.40 # w 5M 5420.0*2e liu908 6339
HA 82 THR HB 3.60 # 2 41810.0 e liu908 4117
HA 82 THR QG2 4.30 # 1M 50770.0 e liu908 4114
HA 83 SER HN 4.00 # 2 19250.0 e liu908 4146
HA 83 SER HA 5.20 # 2 3923.0 e liu908 7480
HB 82 THR QG2 3.70 # 1M 118700.0 e liu908 4119
HB 83 SER HN 5.50 # 2 2938.0 e liu908 4147
HB 83 SER HB2 6.00 # w 5 325.0 e liu908 7484
QG2 83 SER HN 6.20 # 5M 12140.0 e liu908 4148
QG2 83 SER HA 7.00 # 5M 5686.0 e liu908 4856
83 SER
HN 83 SER HA 3.60 # 2 36840.0 e liu908 1109
HN 83 SER HB2 4.30 # 2 13820.0 e liu908 1097
HN 83 SER HB3 4.90 # 2 6051.0 e liu908 1098
HN 84 ASP- HN 5.00 # 2 5109.0 e liu908 4141
HN 84 ASP- HA 6.00 # w 2 1467.0 e liu908 7461
HN 85 VAL HB 5.30 # 3 4789.0 e liu908 7417
HN 85 VAL QQG 8.00 # 5M 8195.0*2e liu908 6340
HA 83 SER HB2 3.10 # 2 88740.0 e liu908 1102
HA 83 SER HB3 3.10 # 2 93680.0 e liu908 1104
HA 84 ASP- HN 3.30 # 2 70610.0 e liu908 4138
HA 84 ASP- HB3 6.00 # w 2 1022.0 e liu908 7464
HB2 84 ASP- HN 4.00 ># 2 20800.0 e liu908 4139
HB3 84 ASP- HN 3.40 <# 2 56930.0 e liu908 4140
HB3 84 ASP- HA 6.00 # w 2 247.0 e liu908 7462
HB3 85 VAL QQG 8.40 # w 5M 1702.0*2e liu908 6344
84 ASP-
HN 84 ASP- HA 3.70 # 2 31440.0 e liu908 48
HN 84 ASP- HB2 3.90 ># 2 23520.0 e liu908 1084
HN 84 ASP- HB3 3.30 <# 2 65050.0 e liu908 1085
HN 85 VAL HN 5.00 # 2 5565.0 e liu908 4843
HN 85 VAL QQG 8.40 # w 5M 1197.5*2e liu908 7408
HA 84 ASP- HB2 3.30 # 2 59890.0 e liu908 1088
HA 84 ASP- HB3 3.70 # 2 31010.0 e liu908 1089
HA 85 VAL HN 2.90 # 2 153400.0 e liu908 4845
HA 85 VAL HA 5.50 # 2 2906.0 e liu908 7404
HA 85 VAL HB 5.20 # 2 4243.0 e liu908 4853
HA 85 VAL QQG 8.10 # 5M 7295.0*2e liu908 4854
HB2 85 VAL HN 3.90 <# 2 25870.0 e liu908 4850
HB2 85 VAL HA 5.70 <# 2 2327.0 e liu908 7406
HB3 85 VAL HN 5.10 ># 2 4640.0 e liu908 4852
HB3 85 VAL HA 6.00 ># w 2 82.0 e liu908 7407
85 VAL
HN 85 VAL HA 3.70 # 2 30930.0 e liu908 45
HN 85 VAL HB 3.90 # 2 23910.0 e liu908 2544
HN 85 VAL QQG 5.90 # s 1M 55800.0*2e liu908 2545
HN 86 VAL HN 4.80 # 2 6820.0 e liu908 4835
HN 86 VAL HA 5.90 # 2 1854.0 e liu908 7345
HN 86 VAL QG2 7.00 # w 5M 2747.0 e liu908 7352
HA 85 VAL HB 3.30 # 2 66260.0 e liu908 2547
HA 85 VAL QQG 5.10 # i 1M 36410.0*2e liu908 2548
HA 86 VAL HN 2.90 # 2 152600.0 e liu908 4837
HA 86 VAL HA 4.70 # 2 7680.0 e liu908 7346
HA 86 VAL HB 5.70 # 2 2255.0 e liu908 7351
HA 86 VAL QG2 6.00 # 5M 14130.0 e liu908 7354
HB 85 VAL QQG 5.40 # 1M 81900.0*2e liu908 4725
HB 86 VAL HN 3.90 # 2 26470.0 e liu908 4838
HB 86 VAL HA 6.00 # w 2 660.0 e liu908 7347
QQG 86 VAL HN 6.50 # 5M 40200.0*2e liu908 4839
QQG 86 VAL HA 8.40 # 5M 6030.0*2e liu908 7350
QQG 87 ILE HN 8.30 # 5M 6570.0*2e liu908 6346
QQG 87 ILE HA 8.40 # w 5M 2381.5*2e liu908 6348
QQG 87 ILE HB 7.00 # 5M 23180.0*2e liu908 6349
QQG 87 ILE QG2 8.00 # q 5M 23570.0*2e liu908 6352
86 VAL
HN 86 VAL HA 3.50 # 2 45300.0 e liu908 8
HN 86 VAL HB 3.20 # 2 72330.0 e liu908 1074
HN 86 VAL QG1 5.60 ># 1M 10840.0 e liu908 1069
HN 86 VAL QG2 4.20 <# 1M 60530.0 e liu908 1068
HN 87 ILE HN 4.70 # 2 7255.0 e liu908 4822
HN 87 ILE HA 5.50 # 2 2871.0 e liu908 4830
HN 87 ILE HB 5.10 # 2 4752.0 e liu908 4829
HA 86 VAL HB 3.70 # 2 34930.0 e liu908 4758
HA 86 VAL QG1 3.90 # 1M 90550.0 e liu908 1073
HA 86 VAL QG2 3.80 # 1M 102300.0 e liu908 1072
HA 87 ILE HN 2.70 # 2 204800.0 e liu908 3373
HA 87 ILE HA 6.00 # w 2 949.0 e liu908 4819
HA 87 ILE HB 4.90 # 2 6247.0 e liu908 7301
HA 87 ILE QG2 6.80 # 5M 7086.0 e liu908 3375
HB 86 VAL QG1 3.80 # 1M 108700.0 e liu908 1083
HB 86 VAL QG2 3.60 # 1M 163500.0 e liu908 1078
HB 87 ILE HN 4.80 # 2 6918.0 e liu908 4823
QG1 87 ILE HN 5.10 <# 5M 37400.0 e liu908 4825
QG1 87 ILE HA 6.30 # 5M 10480.0 e liu908 7299
QG1 88 GLU- HN 7.00 # w 5M 2211.0 e liu908 6353
QG1 88 GLU- HG3 7.00 # w 5M 2560.0 e liu908 7265
QG2 87 ILE HN 6.90 ># 5M 6088.0 e liu908 4824
87 ILE
HN 87 ILE HA 3.80 # 2 28180.0 e liu908 74
HN 87 ILE HB 3.30 # 2 65930.0 e liu908 1063
HN 87 ILE QG2 4.40 # 1M 45610.0 e liu908 1040
HN 87 ILE QG1 5.50 # m 1 2980.5*2e liu908 1039
HN 87 ILE QD1 5.20 # 1M 16520.0 e liu908 1041
HN 88 GLU- HN 4.40 # 2 11780.0 e liu908 3368
HA 87 ILE HB 3.30 # 2 63940.0 e liu908 1059
HA 87 ILE QG2 4.40 # 1M 47010.0 e liu908 1062
HA 87 ILE QG1 3.50 # i 1 47310.0*2e liu908 1061
HA 87 ILE QD1 4.40 # 1M 42010.0 e liu908 3380
HA 88 GLU- HN 2.70 # 2 235500.0 e liu908 3377
HA 88 GLU- HB2 5.10 # 2 4419.0 e liu908 3381
HA 88 GLU- HG3 5.10 # 5 2587.0 e liu908 7263
HB 87 ILE QG2 3.50 # 1M 186100.0 e liu908 1050
HB 87 ILE QG1 4.00 # m 1 37575.0*2e liu908 1056
HB 87 ILE QD1 3.60 # 1M 158700.0 e liu908 1048
HB 88 GLU- HN 4.30 # 2 13620.0 e liu908 3385
QG2 87 ILE QG1 4.60 # m 1M 138450.0*2e liu908 4754
QG2 87 ILE QD1 4.90 # m 1M 96300.0 e liu908 4757
QG2 88 GLU- HN 6.40 # 5M 9886.0 e liu908 3387
QG2 89 THR QG2 5.60 # m 5M 74720.0 e liu908 6359
QG1 87 ILE QD1 4.70 # m 1M 132600.0*2e liu908 4755
QG1 88 GLU- HN 4.60 # m 5 22185.0*2e liu908 3386
QD1 88 GLU- HN 4.60 # 5M 72040.0 e liu908 3388
QD1 88 GLU- HA 6.60 # 5M 8465.0 e liu908 3376
QD1 88 GLU- HB2 7.00 # w 5M 2128.0 e liu908 3384
QD1 89 THR HN 6.60 # 5M 8476.0 e liu908 6362
QD1 89 THR HA 6.00 # 5M 14890.0 e liu908 6356
QD1 89 THR QG2 5.90 # m 5M 48700.0 e liu908 6357
QD1 91 LYS+ HN 7.00 # w 5M 4497.0 e liu908 6365
88 GLU-
HN 88 GLU- HA 3.60 # 2 37400.0 e liu908 51
HN 88 GLU- HB2 3.00 <# 2 107300.0 e liu908 1024
HN 88 GLU- HB3 5.20 ># 2 4142.0 e liu908 1025
HN 88 GLU- HG2 4.00 ># 1 6094.0 e liu908 1023
HN 88 GLU- HG3 3.10 <# 1 31170.0 e liu908 1022
HN 89 THR HN 4.60 # 2 8321.0 e liu908 3357
HN 89 THR HA 6.00 # w 2 625.0 e liu908 4815
HN 91 LYS+ QB 7.00 # m w 3 1122.0*2e liu908 6370
HN 91 LYS+ HG2 6.00 # w 5 923.0 e liu908 6369
HN 91 LYS+ QE 7.00 # m w 5 658.5*2e liu908 6368
HA 88 GLU- HB2 3.60 # 2 35600.0 e liu908 1028
HA 88 GLU- HB3 3.20 # 2 87020.0 e liu908 1029
HA 88 GLU- HG2 2.90 # 1 41840.0 e liu908 1027
HA 88 GLU- HG3 3.40 # 1 16890.0 e liu908 1026
HA 89 THR HN 2.70 # 2 222700.0 e liu908 3363
HA 89 THR HA 6.00 # w 2 701.0 e liu908 7246
HA 89 THR QG2 5.70 # 5M 19260.0 e liu908 3362
HA 89 THR HG1 6.00 # w 5 315.0 e liu908 6899
HA 91 LYS+ QE 6.30 # m 5 2183.5*2e liu908 6371
HB2 88 GLU- HG2 3.10 # 1 33000.0 e liu908 4747
HB2 88 GLU- HG3 2.50 # 1 118100.0 e liu908 1036
HB2 89 THR HN 4.10 # 2 16790.0 e liu908 3365
HB2 91 LYS+ HG2 5.60 # 5 1441.0 e liu908 6376
HB2 91 LYS+ HD3 5.10 # 5 2731.0 e liu908 6375
HB2 91 LYS+ QE 4.10 # m 5 50950.0*2e liu908 6374
HB3 88 GLU- HG2 2.60 # 1 79280.0 e liu908 4748
HB3 88 GLU- HG3 3.10 # 1 33010.0 e liu908 4746
HB3 89 THR HN 3.90 # 2 22870.0 e liu908 3364
HB3 89 THR HA 6.00 # w 2 560.0 e liu908 7247
HB3 91 LYS+ HG2 6.00 # w 5 261.0 e liu908 8471
HG2 89 THR HN 5.10 # 5 2712.0 e liu908 3366
HG3 89 THR HN 5.30 # 5 2111.0 e liu908 3367
89 THR
HN 89 THR HA 3.70 # 2 32490.0 e liu908 6
HN 89 THR HB 4.00 # 2 20530.0 e liu908 1010
HN 89 THR QG2 3.90 # 1M 90840.0 e liu908 1011
HN 89 THR HG1 3.80 # 1 8586.0 e liu908 6876
HN 90 HIS HN 4.90 # 2 6211.0 e liu908 3353
HN 90 HIS QB 7.00 # m w 2 750.5*2e liu908 6896
HA 89 THR HB 5.40 # 2 3311.0 e liu908 4121
HA 89 THR QG2 3.90 # 1M 94070.0 e liu908 1015
HA 89 THR HG1 3.90 # 1 8071.0 e liu908 6873
HA 90 HIS HN 3.20 # 2 79420.0 e liu908 3351
HA 91 LYS+ HN 4.40 # 3 14220.0 e liu908 6380
HA 91 LYS+ QB 6.30 # m 3 4524.5*2e liu908 6381
HA 91 LYS+ HG2 4.20 # 5 8405.0 e liu908 6382
HB 89 THR QG2 3.70 # 1M 122300.0 e liu908 1016
HB 89 THR HG1 2.80 # 1 111600.0 e liu908 6872
HB 90 HIS HN 2.90 # 2 151800.0 e liu908 3352
HB 91 LYS+ HN 6.00 # w 3 968.0 e liu908 6383
QG2 89 THR HG1 4.70 # 1M 29970.0 e liu908 6871
QG2 90 HIS HN 6.20 # 5M 12110.0 e liu908 3356
QG2 90 HIS HE1 7.00 # w 5M 2213.0 e liu908 4814
QG2 91 LYS+ HN 7.00 # w 5M 4109.0 e liu908 7189
HG1 90 HIS HN 4.20 # 5 8481.0 e liu908 6874
HG1 90 HIS QB 5.50 # m 5 5295.0*2e liu908 6878
HG1 90 HIS HD1 6.00 # w 5 379.0 e liu908 6892
HG1 90 HIS HE1 3.70 # 5 18550.0 e liu908 6879
90 HIS
HN 90 HIS HA 3.00 # 2 127400.0 e liu908 67
HN 90 HIS QB 5.00 # i 2 11315.0*2e liu908 895
HN 90 HIS HD1 5.10 # 1 1548.0 e liu908 4734
HN 90 HIS HE1 5.00 # 1 1758.0 e liu908 4735
HN 91 LYS+ HN 3.50 # 2 44000.0 e liu908 3348
HN 91 LYS+ HG2 6.00 # w 5 290.0 e liu908 7188
HN 92 GLU- HN 6.00 # w 3 989.0 e liu908 6385
HA 90 HIS QB 4.50 # m 2 43735.0*2e liu908 897
HA 90 HIS HD1 3.50 # 1 13940.0 e liu908 4741
HA 91 LYS+ HN 3.40 # 2 53060.0 e liu908 3345
HA 92 GLU- HN 4.30 # 3 15720.0 e liu908 6386
QB 90 HIS HD1 3.80 # m 1 55450.0*2e liu908 4742
QB 90 HIS HE1 7.00 # m w 1 439.0*2e liu908 4739
QB 91 LYS+ HN 6.30 # m 2 3609.5*2e liu908 3346
QB 91 LYS+ HA 7.00 # m w 2 117.0*2e liu908 7187
QB 92 GLU- HN 7.00 # m w 3 433.5*2e liu908 6389
HD1 90 HIS HE1 3.50 # 1 14550.0 e liu908 4738
91 LYS+
HN 91 LYS+ HA 3.70 # 2 30540.0 e liu908 17
HN 91 LYS+ QB 4.10 # i 2 45790.0*2e liu908 2529
HN 91 LYS+ HG2 3.00 <# 1 36570.0 e liu908 2527
HN 91 LYS+ HG3 4.20 ># 1 4983.0 e liu908 4789
HN 91 LYS+ HD2 5.10 ># 1 1503.0 e liu908 8762
HN 91 LYS+ HD3 4.00 <# 1 6372.0 e liu908 4790
HN 92 GLU- HN 3.30 # 2 60750.0 e liu908 3340
HN 92 GLU- HA 5.70 # 2 2286.0 e liu908 3336
HN 92 GLU- HB2 4.90 <# 2 5696.0 e liu908 8866
HN 92 GLU- HB3 6.00 ># w 2 419.0 e liu908 8867
HA 91 LYS+ QB 4.50 # m 2 42210.0*2e liu908 2539
HA 91 LYS+ HG2 3.10 <# 1 28530.0 e liu908 2540
HA 91 LYS+ HG3 3.90 ># 1 7117.0 e liu908 4791
HA 91 LYS+ HD2 3.10 ># 1 28160.0 e liu908 8764
HA 91 LYS+ HD3 2.50 <# 1 123800.0 e liu908 4796
HA 91 LYS+ QE 5.30 # m 1 4415.5*2e liu908 2538
HA 92 GLU- HN 3.80 # 2 29740.0 e liu908 4807
HA 92 GLU- HA 6.00 # w 2 694.0 e liu908 7184
HA 93 GLU- HN 4.30 # 3 15980.0 e liu908 6390
HA 94 GLU- HN 4.40 # 3 13440.0 e liu908 6392
HA 94 GLU- QB 7.00 # m w 3 858.0*2e liu908 6393
HA 94 GLU- QG 6.60 # m 5 1508.5*2e liu908 6394
QB 91 LYS+ HG2 3.40 # m 1 163650.0*2e liu908 2532
QB 91 LYS+ HG3 3.30 # m s 1 174750.0*2e liu908 4795
QB 91 LYS+ HD2 4.10 # m 1 31960.0*2e liu908 8767
QB 91 LYS+ HD3 4.50 # m 1 13815.0*2e liu908 4800
QB 91 LYS+ QE 6.20 # mm 1 4837.5*4e liu908 2533
QB 92 GLU- HN 6.40 # m 2 3345.5*2e liu908 3338
QB 94 GLU- HN 6.80 # m 3 2663.0*2e liu908 6395
QB 94 GLU- QB 6.90 # mm 5 3402.5*4e liu908 6397
HG2 91 LYS+ HD2 3.00 # 1 34380.0 e liu908 8766
HG2 91 LYS+ HD3 2.60 # 1 97370.0 e liu908 4799
HG2 91 LYS+ QE 4.20 <# m 1 24055.0*2e liu908 2536
HG2 92 GLU- HN 5.70 # 5 1290.0 e liu908 8481
HG3 91 LYS+ HD2 3.90 # 1 7321.0 e liu908 8759
HG3 91 LYS+ HD3 2.90 # 1 49170.0 e liu908 4793
HG3 91 LYS+ QE 5.10 ># m 1 5930.0*2e liu908 4806
HG3 92 GLU- HN 6.00 # w 5 855.0 e liu908 4811
HD2 91 LYS+ QE 4.90 ># m 1 7590.0*2e liu908 8761
HD3 91 LYS+ QE 4.30 <# m 1 20370.0*2e liu908 4805
HD3 92 GLU- HN 6.00 # w 5 527.0 e liu908 4809
HD3 95 ILE QG2 7.00 # w 5M 1106.0 e liu908 6401
QE 95 ILE QG2 8.00 # m w 5M 1639.5*2e liu908 6399
92 GLU-
HN 92 GLU- HA 3.70 # 2 34270.0 e liu908 81
HN 92 GLU- HB2 3.60 # 2 39830.0 e liu908 757
HN 92 GLU- HB3 3.20 # 2 80580.0 e liu908 759
HN 92 GLU- QG 5.10 # m 1 5895.0*2e liu908 758
HN 93 GLU- HN 3.60 # 2 37420.0 e liu908 3327
HN 94 GLU- HN 5.30 # 3 4485.0 e liu908 6403
HN 95 ILE QD1 7.00 # w 5M 850.0 e liu908 6407
HA 92 GLU- HB2 3.90 # 2 22700.0 e liu908 767
HA 92 GLU- HB3 3.40 # 2 51020.0 e liu908 771
HA 92 GLU- QG 4.20 # i 1 11235.0*2e liu908 762
HA 93 GLU- HN 4.70 # 2 7388.0 e liu908 3324
HA 93 GLU- HA 6.00 # w 2 1481.0 e liu908 4784
HA 94 GLU- HN 5.20 # 3 4881.0 e liu908 6405
HA 95 ILE HN 4.70 # 3 8817.0 e liu908 6408
HA 95 ILE QG2 7.00 # w 5M 4020.0 e liu908 6415
HA 95 ILE HG12 3.50 # 5 27960.0 e liu908 6410
HA 95 ILE HG13 4.00 # 5 12200.0 e liu908 3342
HA 95 ILE QD1 7.00 # 5M 5701.0 e liu908 6414
HA 96 VAL HN 6.00 # w 3 617.0 e liu908 6434
HA 96 VAL QG1 7.00 <# w 5M 5120.0 e liu908 8453
HA 96 VAL QG2 7.00 ># w 5M 747.0 e liu908 6423
HB2 92 GLU- QG 3.80 # m 1 56800.0*2e liu908 775
HB2 93 GLU- HN 4.30 # 2 13410.0 e liu908 3325
HB2 93 GLU- QG 7.00 # m w 5 .0*2e liu908 9028
HB3 92 GLU- QG 3.80 # m 1 53600.0*2e liu908 4732
HB3 93 GLU- HN 4.20 # 2 15760.0 e liu908 3330
QG 93 GLU- HN 4.80 # m 5 15700.0*2e liu908 3329
QG 93 GLU- HA 4.80 # m 5 14650.0*2e liu908 4782
QG 93 GLU- QG 8.00 # mm 5 1028.5*4e liu908 9027
93 GLU-
HN 93 GLU- HA 3.30 # 2 70370.0 e liu908 26
HN 93 GLU- QB 4.00 # i 2 58550.0*2e liu908 3316
HN 93 GLU- QG 4.20 # m 1 25460.0*2e liu908 3315
HN 94 GLU- HN 3.40 # 2 56200.0 e liu908 3319
HN 95 ILE HN 5.80 # 3 2703.0 e liu908 6430
HN 95 ILE HG12 5.60 # 5 1524.0 e liu908 8454
HN 96 VAL QG2 7.00 # w 5M 533.0 e liu908 8457
HA 93 GLU- QB 4.10 # m 2 89550.0*2e liu908 3313
HA 93 GLU- QG 3.90 # i 1 19930.0*2e liu908 3312
HA 94 GLU- HN 3.80 # 2 29950.0 e liu908 3320
HA 94 GLU- HA 5.90 # 2 1909.0 e liu908 7179
HA 95 ILE HN 4.40 # 3 15320.0 e liu908 6425
HA 95 ILE HG12 5.50 <# 5 1747.0 e liu908 8559
HA 95 ILE HG13 6.00 ># w 5 186.0 e liu908 7151
HA 95 ILE QD1 7.00 # w 5M 2415.0 e liu908 6427
HA 96 VAL HN 4.40 # 3 13930.0 e liu908 6432
HA 96 VAL QG1 7.00 ># w 5M 3942.0 e liu908 6435
HA 96 VAL QG2 5.00 <# 5M 44000.0 e liu908 6438
QB 93 GLU- QG 5.10 # mm 1 32725.0*4e liu908 4730
QB 94 GLU- HN 5.00 # m 2 19920.0*2e liu908 3321
QB 96 VAL HN 7.00 # m w 3 1640.5*2e liu908 6442
QG 94 GLU- HN 5.80 # m 5 4002.5*2e liu908 4779
QG 96 VAL HN 7.00 # m w 5 623.0*2e liu908 7113
94 GLU-
HN 94 GLU- HA 3.80 # 2 28950.0 e liu908 75
HN 94 GLU- QB 4.00 # i 2 58350.0*2e liu908 1003
HN 94 GLU- QG 3.90 # m 1 41235.0*2e liu908 999
HN 95 ILE HN 3.00 # 2 126300.0 e liu908 3286
HN 95 ILE HA 4.40 # 2 10900.0 e liu908 3291
HN 95 ILE QG2 6.90 # 5M 6210.0 e liu908 3306
HN 95 ILE HG12 4.50 # 5 5379.0 e liu908 3294
HN 95 ILE QD1 7.00 # w 5M 269.0 e liu908 4769
HN 96 VAL HN 4.40 # 3 13260.0 e liu908 6444
HN 96 VAL QG1 7.00 # w 5M 1243.0 e liu908 8458
HN 96 VAL QG2 7.00 # w 5M 870.0 e liu908 6449
HA 94 GLU- QB 4.80 # m 2 30055.0*2e liu908 1005
HA 94 GLU- QG 3.80 # i 1 42720.0*2e liu908 1004
HA 95 ILE HN 4.00 # 2 21200.0 e liu908 3285
HA 96 VAL HN 4.70 # 3 10010.0 e liu908 6445
HA 96 VAL QG2 7.00 # w 5M 1485.0 e liu908 8489
QB 94 GLU- QG 4.70 # mm 1 74150.0*4e liu908 1009
QB 95 ILE HN 5.60 # m 2 9175.0*2e liu908 3309
QB 95 ILE QG2 7.60 # m 5M 8445.0*2e liu908 4773
QG 95 ILE HN 6.00 # m 5 3011.0*2e liu908 4771
QG 95 ILE QG2 8.00 # m w 5M 2960.5*2e liu908 4774
95 ILE
HN 95 ILE HA 3.80 # 2 29790.0 e liu908 82
HN 95 ILE HB 3.80 # 2 26820.0 e liu908 685
HN 95 ILE QG2 4.80 # 1M 27500.0 e liu908 689
HN 95 ILE HG12 3.00 <# 1 37660.0 e liu908 718
HN 95 ILE HG13 3.50 ># 1 14780.0 e liu908 717
HN 95 ILE QD1 6.50 # 1M 4359.0 e liu908 688
HN 96 VAL HN 2.90 # 2 158700.0 e liu908 3297
HN 96 VAL QG1 5.30 <# 5M 30220.0 e liu908 7107
HN 96 VAL QG2 6.60 ># 5M 8649.0 e liu908 7105
HA 95 ILE HB 3.20 # 2 86560.0 e liu908 690
HA 95 ILE QG2 3.80 # 1M 115800.0 e liu908 693
HA 95 ILE HG12 4.40 # 1 3675.0 e liu908 691
HA 95 ILE HG13 4.50 # 1 3347.0 e liu908 7150
HA 95 ILE QD1 5.60 # 1M 9948.0 e liu908 692
HA 96 VAL HN 3.60 # 2 36520.0 e liu908 3295
HA 96 VAL HA 5.30 # 2 3686.0 e liu908 7099
HA 96 VAL QG1 7.00 # w 5M 2278.0 e liu908 8461
HA 96 VAL QG2 7.00 # w 5M 1735.0 e liu908 3302
HB 95 ILE QG2 3.70 # 1M 118900.0 e liu908 712
HB 95 ILE HG12 3.10 ># 1 30020.0 e liu908 4728
HB 95 ILE HG13 2.70 <# 1 76460.0 e liu908 698
HB 95 ILE QD1 4.60 # 1M 32290.0 e liu908 707
HB 96 VAL HN 4.10 # 2 17610.0 e liu908 3296
HB 96 VAL HA 4.70 # 2 7713.0 e liu908 7100
HB 96 VAL QG1 6.50 # 5M 8777.0 e liu908 8462
HB 96 VAL QG2 6.50 # 5M 8884.0 e liu908 7110
QG2 95 ILE HG12 4.30 # 1M 49030.0 e liu908 722
QG2 95 ILE HG13 4.80 # 1M 27440.0 e liu908 713
QG2 95 ILE QD1 5.30 # m 1M 53490.0 e liu908 723
QG2 96 VAL HN 6.50 # 5M 9422.0 e liu908 4767
QG2 96 VAL HA 7.00 # w 5M 2384.0 e liu908 7103
QG2 96 VAL QG1 8.00 <# m w 5M 4363.0 e liu908 8463
QG2 96 VAL QG2 8.00 ># m w 5M 1718.0 e liu908 7109
HG12 95 ILE QD1 3.90 # 1M 99490.0 e liu908 4729
HG13 95 ILE QD1 4.30 # 1M 51580.0 e liu908 700
HG13 96 VAL HN 3.90 # 5 12720.0 e liu908 4764
HG13 96 VAL HA 6.00 # w 5 554.0 e liu908 7104
QD1 96 VAL HN 7.00 # w 5M 2387.0 e liu908 4762
QD1 96 VAL QG1 6.60 # m 5M 21980.0 e liu908 8464
QD1 96 VAL QG2 6.80 # m 5M 18610.0 e liu908 7108
96 VAL
HN 96 VAL HA 3.50 # 2 44580.0 e liu908 84
HN 96 VAL HB 3.70 # 2 33710.0 e liu908 724
HN 96 VAL QG1 5.10 ># 1M 19140.0 e liu908 725
HN 96 VAL QG2 4.10 <# 1M 70530.0 e liu908 730
HA 96 VAL HB 3.10 # 2 96430.0 e liu908 731
HA 96 VAL QG1 4.40 # 1M 46080.0 e liu908 732
HA 96 VAL QG2 5.10 # 1M 19060.0 e liu908 733
HB 96 VAL QG1 4.10 # 1M 67300.0 e liu908 747
HB 96 VAL QG2 4.00 # 1M 75700.0 e liu908 748
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