NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9527 8.3549 109.7332 45.9140 0.0000 176.6492 2 S 4.2987 8.6350 113.2914 55.8094 62.6924 172.1097 3 K 4.1402 9.1531 128.7823 57.1713 33.6988 176.1608 4 L 3.8864 7.1551 117.9411 53.6347 42.0062 174.9807 5 P 4.5783 0.0000 0.0000 61.0710 32.4388 173.6923 6 P 4.5297 0.0000 0.0000 62.9706 31.9309 175.9589 7 G 4.1251 9.2178 105.4617 45.0932 0.0000 172.9639 8 W 5.3278 8.0967 117.1571 54.5753 33.1660 174.1852 9 E 4.7097 9.4896 120.8625 54.6763 33.0541 175.7612 10 K 4.9299 8.1533 120.6785 54.9763 31.2185 176.2021 11 R 4.3610 8.3627 123.7148 56.1919 32.1069 175.2628 12 M 5.3402 8.4735 118.9842 53.5402 34.6273 177.7454 13 S 3.9261 8.3057 121.8875 57.8741 63.9347 175.0182 14 R 4.0731 8.6405 115.7176 59.4784 30.8165 176.6044 15 S 4.5218 8.1852 116.9463 58.7010 70.0800 176.8355 16 S 4.1676 9.7873 125.9336 61.8234 62.9302 176.8194 17 G 3.5873 6.4248 105.5628 45.9232 0.0000 173.6886 18 R 4.6165 7.4111 115.2792 53.8759 35.1145 174.7453 19 V 5.0338 8.3708 121.3264 59.8760 29.3598 176.4146 20 Y 4.6973 8.5168 119.4045 58.9259 39.1315 177.7311 21 Y 4.9994 9.3316 121.8900 58.1414 39.8528 174.6712 22 F 5.0200 9.2442 123.3669 56.4462 42.8613 173.7069 23 N 3.8223 6.8896 125.0489 53.2327 39.4769 174.9386 24 H 4.5939 7.8814 117.8558 55.6062 30.1096 176.1574 25 I 3.8344 7.9000 121.1148 64.1197 37.3437 176.8618 26 T 4.0969 8.2133 108.9949 60.6843 69.7109 175.1980 27 N 3.4786 7.7074 116.4671 52.8494 36.3091 173.7357 28 A 4.3983 6.6882 119.5531 51.7086 20.0927 176.9993 29 S 5.1227 7.9399 112.5944 57.6390 66.8068 172.5590 30 Q 3.9869 8.5249 117.7888 56.0000 33.2732 174.7068 31 W 4.7269 8.7043 118.8778 57.6211 30.5767 176.9000 32 E 4.3755 7.6590 116.8492 55.4423 31.0793 175.4792 33 R 4.7934 8.1175 115.9141 54.3004 32.0914 173.5586 34 P 4.6170 0.0000 0.0000 62.2051 32.8125 176.8800 35 S 4.4684 8.6073 113.0932 58.0014 63.5798 174.8180 36 G 4.1759 8.3656 113.0825 45.4113 0.0000 171.0529 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 G 8.35 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 S 8.64 4.30 0.00 3.83 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 K 9.15 4.14 0.00 1.83 1.85 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.27 1.42 7.81 4 L 7.16 3.89 0.00 1.39 0.62 0.31 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.58 0.00 2.34 2.16 0.00 3.92 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.14 0.00 6 P 0.00 4.53 0.00 2.27 2.17 0.00 3.80 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 7 G 9.22 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 W 8.10 5.33 0.00 3.05 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 E 9.49 4.71 0.00 1.95 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 10 K 8.15 4.93 0.00 1.55 1.68 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.09 1.09 7.81 11 R 8.36 4.36 0.00 1.51 1.90 0.00 3.14 0.00 0.00 2.93 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.32 0.00 12 M 8.47 5.34 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.62 0.00 13 S 8.31 3.93 0.00 3.19 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.64 4.07 0.00 1.76 1.95 0.00 3.48 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 15 S 8.19 4.52 0.00 3.86 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 9.79 4.17 0.00 3.98 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 6.42 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 7.41 4.62 0.00 2.09 2.09 0.00 2.54 0.00 0.00 2.86 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 19 V 8.37 5.03 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 1.11 0.00 0.00 20 Y 8.52 4.70 0.00 2.97 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 9.33 5.00 0.00 3.09 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 9.24 5.02 0.00 2.55 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 N 6.89 3.82 0.00 1.44 1.42 0.00 0.00 5.19 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 H 7.88 4.59 0.00 3.24 3.37 0.00 5.61 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 I 7.90 3.83 1.78 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.38 0.83 0.00 0.00 26 T 8.21 4.10 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 27 N 7.71 3.48 0.00 2.76 2.90 0.00 0.00 7.02 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 6.69 4.40 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 7.94 5.12 0.00 3.50 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 8.52 3.99 0.00 1.99 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.00 0.00 0.00 0.00 0.00 0.00 2.03 2.32 0.00 31 W 8.70 4.73 0.00 3.17 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 7.66 4.38 0.00 1.62 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 33 R 8.12 4.79 0.00 2.11 2.03 0.00 3.00 0.00 0.00 3.43 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 34 P 0.00 4.62 0.00 2.00 1.82 0.00 3.65 0.00 0.00 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.19 0.00 35 S 8.61 4.47 0.00 3.81 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.37 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00