NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3127 8.3049 120.3257 55.8476 32.8699 174.4920 2 L 3.5641 8.6153 124.4683 53.3178 41.0745 173.0518 3 I 3.0708 8.1396 122.4458 60.5213 39.1681 173.7040 4 P 4.4278 0.0000 0.0000 61.8774 32.5907 175.4288 5 I 3.5683 8.3150 125.6955 61.8443 38.3784 172.8432 6 R 4.8679 8.6063 133.1624 55.8177 30.1571 175.0676 7 C 4.1829 8.2453 120.9605 58.1266 32.5972 173.7268 8 F 4.3067 8.4520 126.7350 61.4955 38.0097 176.8920 9 T 3.9862 7.3313 116.5260 66.5352 68.8587 174.6429 10 C 4.3163 7.9458 119.9081 56.8187 42.5432 175.2784 11 G 3.7054 8.2963 108.3576 44.8371 0.0000 173.4450 12 S 4.3705 7.7007 114.0214 57.9972 63.8713 172.8543 13 L 4.6516 8.0929 119.5498 54.1749 42.0562 175.1487 14 I 4.2308 6.9483 118.3603 61.4049 39.8479 179.3489 15 A 3.2431 7.7560 117.1060 52.8016 20.3653 179.9310 16 D 4.4323 7.6296 116.4803 55.7824 40.7967 179.1790 17 K 4.2402 8.2387 119.7309 58.7793 31.8656 178.6469 18 W 3.6117 7.7494 126.2621 60.5007 31.4032 174.8030 19 Q 4.0814 8.1037 125.2385 55.1962 26.8698 176.7034 20 S 5.9103 7.7004 129.6542 59.1496 61.9862 178.4661 21 F 4.0913 8.5317 121.6236 59.8708 38.5772 177.3208 22 I 3.6162 7.3331 111.8541 65.3642 36.9828 177.1978 23 T 3.6895 7.8423 114.7052 66.6189 68.2620 175.6826 24 R 4.0081 8.3656 119.4061 59.7129 30.7215 178.9591 25 V 4.2907 8.1189 119.2241 65.8373 31.2365 177.8925 26 N 4.3886 8.6231 114.2928 55.0411 38.7388 175.9100 27 A 4.7436 8.1633 122.7695 51.8325 20.7633 177.4313 28 G 3.7697 8.2396 112.8242 43.9002 0.0000 175.0340 29 E 3.4809 8.9579 124.1023 56.3743 27.6865 173.8421 30 N 4.2001 8.7204 121.5268 53.6940 39.3485 173.2154 31 P 4.1740 0.0000 0.0000 65.8302 31.2806 177.7984 32 G 3.5532 7.7938 101.9862 48.0397 0.0000 175.0612 33 K 4.3329 8.4034 120.6767 58.7149 32.5740 178.7951 34 V 3.5090 7.5607 116.9118 65.2557 31.5799 177.2818 35 L 4.3165 8.7487 119.5443 56.7396 42.0520 178.6099 36 D 4.3147 7.7967 118.4728 57.4209 40.7637 177.8936 37 D 4.4940 9.5115 115.9231 54.8860 41.3609 174.8798 38 L 4.6202 6.9575 119.3835 52.6396 45.1647 175.4588 39 G 3.5909 8.5179 109.7987 46.6207 0.0000 174.0004 40 V 4.1240 7.7558 123.7624 61.7702 33.2209 172.4364 41 K 3.8665 8.7776 130.2596 58.3760 31.3262 180.8214 42 R 4.2710 8.4576 129.6234 56.5840 32.8127 174.7366 43 Y 4.5776 7.8467 111.8441 58.0852 39.8598 177.2081 44 C 3.8557 7.4210 114.9805 61.3578 29.1296 175.5256 45 C 4.5721 7.9193 113.8998 56.4059 38.9255 174.2736 46 R 3.9700 7.1984 122.0288 57.9428 29.8797 177.4394 47 R 3.9764 8.6678 119.5474 58.6698 30.7075 179.4351 48 M 3.4179 7.1498 118.6435 58.1999 32.8622 178.4773 49 L 4.0761 7.9348 118.7009 57.5575 42.3410 179.1886 50 L 3.9303 7.2610 116.1470 57.8755 41.6348 178.8399 51 S 4.5607 7.9034 109.3443 58.1070 63.1540 173.2481 52 H 4.5245 8.5696 122.0641 55.7502 29.0690 175.4848 53 V 3.6150 8.4033 121.4939 63.3884 31.7935 175.2232 54 D 4.1488 7.5265 119.6499 54.7486 37.8907 172.3221 55 I 4.3673 7.3558 114.9307 60.5457 38.7586 178.7847 56 I 3.9395 7.9152 124.1052 64.3966 38.0664 177.7061 57 N 4.5025 8.2210 116.7941 55.7552 38.7865 175.8869 58 E 4.4139 8.2161 116.5476 58.5887 30.3185 177.8217 59 V 3.8343 7.4193 115.6348 65.5273 29.7984 176.2249 60 I 3.2086 7.2398 116.3621 65.4809 38.5099 174.1451 61 H 4.5932 8.0569 118.9657 55.6011 26.3822 173.4218 62 Y 4.9846 7.4111 122.4593 58.7323 47.8906 177.5734 63 T 3.5697 7.5711 110.1872 62.6614 67.8123 172.1492 64 R 4.2249 8.6183 115.9732 55.9823 29.6753 175.7691 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 M 8.30 4.31 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.58 0.00 2 L 8.62 3.56 0.00 1.82 1.60 0.90 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 3 I 8.14 3.07 1.50 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 -0.36 0.35 0.00 0.00 4 P 0.00 4.43 0.00 1.80 2.05 0.00 3.20 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.93 0.00 5 I 8.32 3.57 1.85 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.62 0.91 0.00 0.00 6 R 8.61 4.87 0.00 2.04 1.98 0.00 3.31 0.00 0.00 3.82 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.56 0.00 7 C 8.25 4.18 0.00 2.80 2.72 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 8 F 8.45 4.31 0.00 3.04 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.33 3.99 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 1.24 0.00 0.00 10 C 7.95 4.32 0.00 3.03 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 G 8.30 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 S 7.70 4.37 0.00 4.01 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.09 4.65 0.00 1.65 1.80 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 14 I 6.95 4.23 1.97 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.36 0.74 0.00 0.00 15 A 7.76 3.24 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.63 4.43 0.00 2.86 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.24 4.24 0.00 2.03 2.46 0.00 1.88 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.62 1.49 7.81 18 W 7.75 3.61 0.00 3.18 3.13 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 19 Q 8.10 4.08 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 7.08 0.00 0.00 0.00 0.00 0.00 2.41 2.69 0.00 20 S 7.70 5.91 0.00 3.95 3.99 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.53 4.09 0.00 2.91 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.33 3.62 1.63 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.13 0.46 0.00 0.00 23 T 7.84 3.69 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 24 R 8.37 4.01 0.00 1.90 2.05 0.00 2.99 0.00 0.00 3.45 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 25 V 8.12 4.29 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.96 0.00 0.00 26 N 8.62 4.39 0.00 2.84 2.85 0.00 0.00 6.98 8.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.16 4.74 1.25 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 0.00 0.00 0.00 28 G 8.24 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.96 3.48 0.00 2.03 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.24 0.00 30 N 8.72 4.20 0.00 2.71 2.72 0.00 0.00 7.11 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 4.17 0.00 2.11 2.18 0.00 3.77 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 32 G 7.79 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.40 4.33 0.00 1.78 1.89 0.00 1.94 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.40 7.81 34 V 7.56 3.51 2.11 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 0.56 0.00 0.00 0.94 0.00 0.00 35 L 8.75 4.32 0.00 1.84 1.77 1.05 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 36 D 7.80 4.31 0.00 2.84 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 D 9.51 4.49 0.00 2.74 2.59 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 38 L 6.96 4.62 0.00 1.49 1.31 0.28 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.52 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 40 V 7.76 4.12 2.42 0.00 0.00 0.00 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 1.08 0.00 0.00 41 K 8.78 3.87 0.00 1.77 1.59 0.00 1.81 0.00 0.00 1.62 0.00 0.00 2.75 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.36 7.81 42 R 8.46 4.27 0.00 1.76 1.65 0.00 3.12 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.17 0.00 43 Y 7.85 4.58 0.00 3.18 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 C 7.42 3.86 0.00 3.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 C 7.92 4.57 0.00 2.94 3.13 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 46 R 7.20 3.97 0.00 2.19 2.12 0.00 3.32 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 47 R 8.67 3.98 0.00 2.14 1.84 0.00 3.25 0.00 0.00 3.20 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 48 M 7.15 3.42 0.00 1.78 1.88 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 49 L 7.93 4.08 0.00 1.72 1.70 0.62 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.26 3.93 0.00 1.79 1.81 1.03 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 51 S 7.90 4.56 0.00 3.98 3.96 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 52 H 8.57 4.52 0.00 3.10 3.40 0.00 5.95 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.40 3.62 2.07 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 0.73 0.00 0.00 0.91 0.00 0.00 54 D 7.53 4.15 0.00 1.99 2.53 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 55 I 7.36 4.37 1.89 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.97 0.91 0.00 0.00 56 I 7.92 3.94 1.95 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.23 1.07 0.00 0.00 57 N 8.22 4.50 0.00 2.82 2.93 0.00 0.00 6.89 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.22 4.41 0.00 2.02 2.08 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 2.33 2.34 0.00 59 V 7.42 3.83 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 1.01 0.00 0.00 60 I 7.24 3.21 2.06 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.07 1.12 0.00 0.00 61 H 8.06 4.59 0.00 3.02 3.14 0.00 5.60 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 62 Y 7.41 4.98 0.00 3.15 2.89 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 0.00 0.00 0.00 63 T 7.57 3.57 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 1.24 0.00 0.00 64 R 8.62 4.22 0.00 1.93 1.93 0.00 3.24 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00