NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3422 8.1744 110.9435 61.2453 70.5916 173.5273 6 N 4.7752 7.9189 120.1402 53.1208 39.2914 173.0792 7 S 4.4799 8.8066 113.1779 57.4215 64.8625 173.1969 8 D 4.8139 8.6670 121.7088 55.2506 41.7665 175.6506 9 F 5.3460 8.0001 114.0628 55.3167 41.6275 173.7267 10 V 4.4966 8.8132 118.9250 61.0636 34.9511 174.0975 11 V 4.8537 8.7035 126.4442 61.3021 33.9406 174.4418 12 I 4.9612 8.9810 128.3133 59.4585 40.9863 174.0078 13 K 5.0569 8.9941 128.9167 54.1935 34.4555 175.0900 14 A 4.3979 8.7387 130.5598 52.4294 18.9792 177.4828 15 L 4.6237 9.0511 122.7809 54.9471 42.4912 176.1250 16 E 4.6766 7.6761 115.4229 54.8629 32.3256 174.4066 17 D 4.4051 8.3548 119.3578 55.6092 41.3620 176.9325 18 G 3.8732 8.4945 109.5446 45.7811 0.0000 173.9964 19 V 3.9599 7.5181 119.3657 62.8311 32.9305 174.6627 20 N 5.3541 9.1534 123.7153 51.4336 42.3141 173.3414 21 V 4.5031 8.7288 124.2689 61.3384 33.6532 174.2153 22 I 4.5597 8.7023 130.0130 59.3311 39.6557 174.9757 23 G 4.0793 8.9868 115.3907 45.1604 0.0000 172.4906 24 L 5.4536 8.7214 125.9206 53.2290 44.0359 176.2878 25 T 4.4688 8.7191 114.2232 61.6630 69.2374 174.4088 26 R 4.4428 7.9000 126.2225 57.1441 30.9039 174.8568 27 G 3.7174 8.8891 108.3805 44.0636 0.0000 173.9410 28 A 4.1163 8.6540 120.6863 54.3128 18.5547 177.5116 29 D 4.8293 7.3395 115.0179 52.9912 42.6540 176.1264 30 T 4.6913 8.3387 122.6618 61.6940 69.8560 172.7837 31 R 4.7550 9.1335 123.1576 53.9040 33.9503 174.1175 32 F 5.2877 8.7259 117.9887 57.8031 39.0007 175.6048 33 H 4.9868 8.8286 118.1983 56.4521 30.8409 174.0320 34 H 4.6387 7.5489 116.4007 55.0520 33.2434 172.2441 35 S 4.7960 8.2502 119.7136 56.4106 64.4954 172.5400 36 E 4.3966 9.1265 130.0925 54.9264 30.6660 175.0983 37 K 4.7644 8.5950 127.1212 55.9439 33.5513 176.3228 38 L 4.9735 8.9497 124.7281 53.1428 44.9627 176.2174 39 D 5.1063 8.9552 123.4335 52.2774 43.4949 175.8904 40 K 4.0066 9.1862 121.7936 58.4252 32.3519 176.1867 41 G 4.0946 9.1435 115.0966 45.3308 0.0000 173.8128 42 E 4.1710 8.0012 119.1166 56.5184 30.7166 176.3152 43 V 4.9271 8.3125 122.2120 61.0029 34.2872 174.1529 44 L 4.7280 9.2331 129.8192 53.2684 44.7241 174.8669 45 I 5.0020 8.4853 126.4570 59.6975 38.9996 174.6247 46 A 4.7523 8.8673 129.1796 50.0606 21.9353 175.3073 47 Q 4.8083 8.5742 120.3384 54.9104 30.5385 175.6779 48 F 4.6149 8.4991 120.7092 57.9199 39.7493 175.2650 49 T 4.7017 8.6712 111.9034 60.0562 71.9619 172.9061 50 E 4.0292 9.0270 121.1436 59.8341 29.5949 177.7587 51 H 4.4312 8.1873 114.3368 56.9302 29.6618 174.6521 52 T 5.2618 8.4201 116.2114 60.9385 70.6379 174.0105 53 S 4.9858 8.8198 119.5248 58.0107 64.9667 173.2389 54 A 5.2066 7.9408 121.4415 51.0638 22.6517 175.1071 55 I 4.9524 8.5510 120.3451 59.3364 40.7403 174.7223 56 K 4.5883 9.0312 128.1777 54.5068 34.7409 174.6423 57 V 4.7902 8.4267 126.7506 61.2087 33.5283 174.5469 58 R 4.5478 9.2007 127.1999 55.5999 32.9381 176.8495 59 G 4.1828 8.9897 108.6454 44.4618 0.0000 172.6446 60 K 4.6927 9.4729 118.2510 55.5488 32.6916 176.6601 61 A 5.1199 8.7375 125.9267 50.6378 23.4271 173.6507 62 Y 4.8938 9.0713 121.4030 56.0599 41.1257 174.5849 63 I 4.8652 8.1988 127.1053 59.4707 40.9441 174.2740 64 Q 5.0500 8.8219 125.6929 54.2760 31.7945 174.8974 65 T 4.6793 8.5397 113.0803 59.3624 72.3866 174.6700 66 R 3.7709 8.5244 120.6323 59.3153 29.8839 176.4963 67 H 4.7272 8.8508 112.6427 55.4707 29.8215 175.1027 68 G 3.7021 6.5752 106.9984 44.3952 0.0000 172.8883 69 V 4.7789 7.6014 114.0944 59.9461 35.2248 175.0146 70 I 4.2923 7.8405 119.9498 60.3736 41.9479 172.6047 71 E 5.2870 8.7394 126.7211 54.5350 31.6429 176.0825 72 S 4.5958 8.9226 119.3487 58.0293 65.0699 172.9103 73 E 4.7906 8.1678 119.8054 54.7508 32.9536 176.2258 74 G 4.2700 8.1636 111.0445 45.0478 0.0000 173.7473 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 5 T 8.17 4.34 4.25 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 1.22 0.00 0.00 6 N 7.92 4.78 0.00 2.78 2.83 0.00 0.00 7.11 6.75 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 7 S 8.81 4.48 0.00 4.15 3.93 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 D 8.67 4.81 0.00 2.78 2.74 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 F 8.00 5.35 0.00 3.02 2.94 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 10 V 8.81 4.50 1.94 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 0.86 0.00 0.00 0.80 0.00 0.00 11 V 8.70 4.85 2.20 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 1.11 0.00 0.00 1.14 0.00 0.00 12 I 8.98 4.96 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.51 0.90 0.00 0.00 13 K 8.99 5.06 0.00 1.91 1.82 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.39 7.81 14 A 8.74 4.40 1.34 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 15 L 9.05 4.62 0.00 1.64 1.73 1.01 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.68 4.68 0.00 2.03 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 2.32 2.33 0.00 17 D 8.35 4.41 0.00 2.69 2.64 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 G 8.49 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.52 3.96 2.20 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 1.03 0.00 0.00 1.04 0.00 0.00 20 N 9.15 5.35 0.00 2.57 2.55 0.00 0.00 6.47 8.52 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 V 8.73 4.50 2.03 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 0.77 0.00 0.00 0.89 0.00 0.00 22 I 8.70 4.56 1.43 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.41 -0.54 0.00 0.00 23 G 8.99 4.08 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 24 L 8.72 5.45 0.00 1.93 1.70 1.03 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.72 4.47 4.31 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 1.38 0.00 0.00 26 R 7.90 4.44 0.00 1.90 1.95 0.00 3.18 0.00 0.00 3.08 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.44 0.00 27 G 8.89 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 0.00 0.00 0.00 28 A 8.65 4.12 1.30 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 D 7.34 4.83 0.00 2.73 2.57 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 T 8.34 4.69 4.26 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 1.27 0.00 0.00 31 R 9.13 4.76 0.00 1.81 2.00 0.00 2.80 0.00 0.00 3.39 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 32 F 8.73 5.29 0.00 2.89 2.93 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 33 H 8.83 4.99 0.00 3.15 3.49 0.00 5.79 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.55 4.64 0.00 3.28 3.06 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.25 4.80 0.00 3.65 3.57 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 E 9.13 4.40 0.00 2.14 1.79 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 2.26 2.32 0.00 37 K 8.60 4.76 0.00 1.64 1.71 0.00 1.60 0.00 0.00 1.68 0.00 0.00 3.24 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.41 1.72 7.81 38 L 8.95 4.97 0.00 1.53 1.52 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.96 5.11 0.00 2.61 2.69 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 40 K 9.19 4.01 0.00 1.78 1.74 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.46 1.50 7.81 41 G 9.14 4.09 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 42 E 8.00 4.17 0.00 2.04 1.88 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 2.33 2.42 0.00 43 V 8.31 4.93 2.09 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 0.81 0.00 0.00 0.96 0.00 0.00 44 L 9.23 4.73 0.00 1.71 1.46 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.49 5.00 1.78 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.67 0.79 0.00 0.00 46 A 8.87 4.75 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 47 Q 8.57 4.81 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 48 F 8.50 4.61 0.00 3.01 2.96 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 49 T 8.67 4.70 4.30 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 1.29 0.00 0.00 50 E 9.03 4.03 0.00 1.95 2.02 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 2.17 2.31 0.00 51 H 8.19 4.43 0.00 3.23 3.17 0.00 5.80 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.42 5.26 4.37 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 1.36 0.00 0.00 53 S 8.82 4.99 0.00 3.83 4.07 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 54 A 7.94 5.21 1.30 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 55 I 8.55 4.95 1.85 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.67 0.84 0.00 0.00 56 K 9.03 4.59 0.00 1.80 1.54 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.39 7.81 57 V 8.43 4.79 2.06 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 0.86 0.00 0.00 0.90 0.00 0.00 58 R 9.20 4.55 0.00 1.74 1.78 0.00 3.19 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 59 G 8.99 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 60 K 9.47 4.69 0.00 1.71 1.79 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.36 7.81 61 A 8.74 5.12 1.24 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 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 9.07 4.89 0.00 3.05 2.85 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 63 I 8.20 4.87 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.70 0.81 0.00 0.00 64 Q 8.82 5.05 0.00 1.92 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.19 2.04 0.00 65 T 8.54 4.68 4.11 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 1.14 0.00 0.00 66 R 8.52 3.77 0.00 1.60 1.79 0.00 3.27 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.62 0.00 67 H 8.85 4.73 0.00 3.16 3.28 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 6.58 3.70 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 69 V 7.60 4.78 1.83 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 0.73 0.00 0.00 1.00 0.00 0.00 70 I 7.84 4.29 1.82 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.21 0.84 0.00 0.00 71 E 8.74 5.29 0.00 1.91 1.88 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 2.42 2.48 0.00 72 S 8.92 4.60 0.00 3.90 3.98 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 73 E 8.17 4.79 0.00 1.83 1.85 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 2.21 2.29 0.00 74 G 8.16 4.27 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