ALA

63	111.2
80	110.3746
50	108.7048
63	110.5165
50	107.3401
50	108.6025

74.925 111.1998 9.141545e-06

1.524301 0.3045578 0.008483019
1.897872 0.1843403 -0.08742626
-1.104798 -0.830546 0.1747620
1.976365 0.1449345 -0.09573054

CYS

63	111.2
80	102.7593
50	113.4250
63	110.6234
50	109.9480
50	108.6532

74.74811 111.1994 2.103470e-05

1.805385 0.08913515 0.02321377
1.796718 0.1332003 -0.06947342
-1.067032 -0.8822377 0.1609543
1.935003 0.2768747 -0.1308426

ASP

63	111.2000
80	110.5188
50	109.7919
63	110.0838
50	106.5194
50	108.6153

74.89474 111.1999 7.84414e-06

1.485869 0.3338321 0.001524200
1.918779 0.1669256 -0.08334097
-1.020774 -0.8931287 0.1862145
2.016193 0.1266012 -0.09183018

GLU

63	111.2
80	110.4935
50	109.8197
63	110.0939
50	106.4998
50	108.6231

74.89142 111.1999 7.828636e-06

1.486830 0.3331598 0.001593276
1.918554 0.1666834 -0.08327346
-1.019311 -0.8940758 0.1863451
2.016598 0.1266692 -0.09184412

PHE

63	111.2
80	110.4446
50	109.8331
63	110.1191
50	106.5173
50	108.6185

74.8924 111.1999 7.823154e-06

1.489798 0.3309877 0.001914861
1.917519 0.1667774 -0.08327316
-1.020346 -0.8933063 0.1860852
2.015847 0.1276358 -0.0920804

GLY

63	111.2
50	109.0716
50	109.0863
50	109.0136
50	109.0285
35	109.4193

72.40115 111.1998 7.464565e-06

1.290738 0.5750999 -0.0818177
1.890249 0.2023643 -0.1007537
-1.290595 -0.5753404 0.08177372
1.890238 0.2027045 -0.1008581

HIS

63	111.2000
80	110.6889
50	109.6391
63	109.9793
50	106.5217
50	108.6940

74.87134 111.1999 7.867937e-06

1.476998 0.3395997 0.0008428252
1.921324 0.1674135 -0.0834799
-1.023953 -0.8905133 0.1861394
2.015549 0.1243365 -0.09120072

ILE

63	111.2
80	111.5303
50	110.6359
63	109.1128
50	104.6989
50	109.4287

74.55814 111.2 1.056463e-05

1.382871 0.4080758 -0.01182545
1.957098 0.1479315 -0.07905025
-0.8845632 -0.9879055 0.2068154
2.070132 0.08742373 -0.08206752

LYS

63	111.2000
80	110.5010
50	109.7797
63	110.1072
50	106.5442
50	108.5980

74.90137 111.1998 7.860547e-06

1.487696 0.3325944 0.00175752
1.918034 0.1673531 -0.08344547
-1.022766 -0.8917385 0.1859214
2.015287 0.1272822 -0.09199718

LEU

63	111.2
80	110.2145
50	109.5745
63	110.3613
50	106.4769
50	108.9182

74.80288 111.1998 7.858192e-06

1.510585 0.3148103 0.005412857
1.908226 0.1713681 -0.08423666
-1.036755 -0.8773686 0.1832126
2.004704 0.1323219 -0.0927323

MET

63	111.2000
80	110.2109
50	109.9335
63	110.2425
50	106.5182
50	108.6385

74.88276 111.1999 7.781946e-06

1.502927 0.3214532 0.003313292
1.913083 0.1667578 -0.08316757
-1.020724 -0.8924454 0.1854465
2.013891 0.1311443 -0.09290278

ASN

63	111.2
80	111.4502
50	109.8214
63	110.2238
50	106.4533
50	107.5004

75.31334 111.1998 9.722366e-06

1.444543 0.3736454 -0.004111765
1.934827 0.1717130 -0.0857599
-1.009113 -0.9074926 0.1908221
2.033043 0.1136642 -0.08949815

PRO

63	111.2000
80	104.1448
50	110.1027
63	112.1071
50	108.3823
50	110.8813

73.93532 111.1994 2.008322e-05

1.819632 0.0766236 0.03774167
1.769448 0.1862159 -0.08313315
-1.17365 -0.7598234 0.1465111
1.873997 0.2609702 -0.1218296

GLN

63	111.2
80	110.4923
50	109.5665
63	109.7193
50	106.5211
50	109.2463

74.66773 111.1999 7.492765e-06

1.480404 0.3319823 0.00169046
1.919833 0.1635519 -0.08200447
-1.026636 -0.8857323 0.1845974
2.010671 0.1266561 -0.09143722

ARG

63	111.2000
80	112.1629
50	109.7794
63	111.4708
50	106.5355
50	105.3638

76.1792 111.1999 9.826897e-06

1.433234 0.4076761 -0.008605796
1.931300 0.1958780 -0.09397184
-1.023333 -0.904585 0.1927562
2.044829 0.1047794 -0.08824122

SER

63	111.2
80	110.1371
50	113.3851
63	110.3864
50	109.8879
50	101.4465

77.36627 111.1998 1.049570e-05

1.508649 0.3394214 -0.006850734
1.944167 0.1421529 -0.0790728
-0.95698 -1.026033 0.2063218
2.07213 0.1647255 -0.1096732

THR

63	111.2000
80	111.533
50	109.7785
63	109.0644
50	106.4256
50	108.6779

74.84303 111.2000 8.380035e-06

1.408181 0.3874285 -0.008201318
1.947065 0.1570141 -0.08104853
-0.9896326 -0.920348 0.1925287
2.036354 0.1082375 -0.0877899

VAL

63	111.2
80	111.5292
50	111.3254
63	109.0836
50	104.8564
50	108.5946

74.809 111.2000 1.117074e-05

1.372895 0.4200995 -0.01554645
1.963365 0.1429468 -0.07815068
-0.8580496 -1.015094 0.2108954
2.085464 0.08780003 -0.08313858

TRP

63	111.2000
80	110.3993
50	109.8323
63	110.049
50	106.6308
50	108.6269

74.88335 111.1999 7.78444e-06

1.490924 0.3292379 0.001955821
1.917192 0.1659118 -0.08295002
-1.024150 -0.8911914 0.1853592
2.014159 0.1294746 -0.09258348

TYR

63	111.2
80	110.4746
50	109.8458
63	110.0559
50	106.5542
50	108.6018

74.89488 111.1999 7.810489e-06

1.48676 0.3329101 0.001454695
1.918768 0.1659966 -0.08306388
-1.019850 -0.894253 0.1861932
2.016533 0.1274013 -0.09208321
