NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 C 4.5494 8.3444 118.3757 58.9174 30.0003 172.5042 3 L 4.5032 7.8259 121.8412 52.3108 43.9304 174.6836 4 A 4.3058 8.9117 128.9658 52.1544 19.9787 176.6117 5 V 4.3434 8.0473 119.3253 60.2415 32.0648 173.6790 6 P 4.9356 0.0000 0.0000 62.7183 32.1386 176.1500 7 G 3.4033 9.1434 108.4849 44.1565 0.0000 171.0577 8 K 4.0395 7.8385 122.9533 53.9309 34.0741 175.7685 9 V 4.0383 8.7215 128.9750 63.1227 31.7521 176.0804 10 I 4.3122 8.6153 121.6441 61.3491 39.6746 175.5215 11 E 4.7032 7.8105 122.3206 54.5475 33.2525 173.7822 12 V 4.5480 8.3180 124.9733 61.3873 33.9704 175.4740 13 N 4.8648 9.0542 124.9088 51.8940 40.6781 175.5299 14 G 4.0956 8.1719 115.9114 45.5441 0.0000 171.5591 15 P 4.4591 0.0000 0.0000 63.9814 31.4858 176.0187 16 V 5.0117 7.5925 111.6467 59.6762 35.8348 174.3846 17 A 5.1111 9.0181 125.1580 50.1071 22.8636 175.0013 18 V 4.5590 8.4851 120.0640 61.6548 33.3389 175.0955 19 V 4.6589 8.8446 127.5537 61.0343 35.0087 173.3003 20 D 5.0710 8.7911 127.6891 52.7942 43.2065 174.9110 21 F 4.7205 9.5198 126.1691 55.4855 40.4512 175.7720 22 G 3.8102 9.9438 115.6413 46.6021 0.0000 172.4667 23 G 3.9410 9.2339 108.5287 44.4799 0.0000 174.4527 24 V 4.1489 7.7720 120.8069 61.6921 32.6402 174.7724 25 K 5.0865 8.6315 127.7898 55.3576 33.5294 176.2014 26 R 4.7913 9.0469 122.4721 54.4148 35.0813 173.4765 27 E 4.9199 8.6665 121.3070 55.1269 31.0947 175.2567 28 V 4.5630 8.7022 126.3827 61.0258 34.9331 174.6348 29 R 4.3757 8.6111 127.2339 55.7394 31.3624 177.0461 30 L 4.8088 8.8737 122.3305 54.5991 42.2015 178.0578 31 D 4.5138 8.3921 120.8873 57.4019 40.8244 177.7907 32 L 4.3846 8.0640 116.7398 56.2097 42.8458 176.7315 33 M 4.8496 7.7419 117.5139 53.0734 31.9894 174.3507 34 P 4.5527 0.0000 0.0000 64.2246 32.2027 177.3723 35 D 4.5913 7.8893 116.4597 53.8296 40.0990 176.8417 36 T 4.0523 7.6512 118.0752 64.1557 69.1833 173.3796 37 K 4.6999 8.9307 124.1949 53.7659 35.7600 173.9269 38 P 4.4204 0.0000 0.0000 64.3590 31.6852 176.2350 39 G 3.9598 8.7882 110.4341 45.4509 0.0000 174.1126 40 D 4.5377 7.7204 119.0351 54.2216 42.3547 175.5478 41 W 5.0144 8.7622 121.6936 55.5555 31.0942 175.7290 42 V 5.0841 8.9756 117.6115 59.7006 35.5729 174.5777 43 I 4.9277 8.5690 123.3493 59.8598 39.5962 174.9566 44 V 5.0558 8.4953 124.5198 61.5289 34.6069 174.2680 45 H 4.8696 9.2457 125.6111 56.1328 32.8372 173.3317 46 T 3.5588 9.4782 122.0165 64.7159 66.1319 173.3232 47 G 3.9069 8.3095 106.7931 45.6703 0.0000 173.4129 48 F 4.9051 8.4188 119.4413 55.0224 40.8311 174.9428 49 A 4.7545 8.8244 128.3683 52.3765 18.1191 177.1986 50 I 4.5720 9.0473 115.2284 60.7251 39.8400 175.3199 51 E 4.7733 8.0455 122.5681 54.9310 33.0630 173.1863 52 K 5.1059 8.6823 126.7418 55.0843 33.7737 175.2888 53 L 5.0473 8.8878 127.0620 52.7559 44.5361 176.2832 54 D 4.6724 8.6829 123.4404 53.3203 40.8573 177.7936 55 E 3.7569 8.9707 119.4337 61.2914 29.5803 180.0186 56 K 3.9694 7.9902 120.3648 59.2527 32.2239 178.6020 57 K 3.8552 7.8209 118.2138 59.1999 32.1258 178.5069 58 A 3.7017 7.8360 121.1764 55.4839 18.0916 179.5038 59 M 3.7216 7.6483 117.0963 58.2621 31.8477 178.4686 60 E 3.8501 7.9736 119.4102 59.5381 29.8123 179.1250 61 I 3.7160 7.6216 119.5775 64.4088 37.1314 178.5137 62 L 4.3405 8.2405 122.2738 58.3410 41.2314 180.1035 63 E 4.0026 8.5234 118.5890 60.8550 29.4452 182.4739 64 A 4.1097 7.7944 121.4600 54.8931 18.3361 179.7851 65 W 4.1337 8.1101 117.1510 59.9433 29.1652 178.5806 66 A 4.0895 8.4713 120.8019 55.2064 17.7326 179.6102 67 E 3.9550 7.9695 117.1538 59.5643 29.4587 179.7201 68 V 3.6622 7.6340 118.2913 65.8093 31.5936 177.9332 69 E 4.0457 8.6043 118.6342 59.3527 29.4028 179.0832 70 K 3.9627 8.2342 119.3277 59.5391 32.2197 178.5536 71 A 4.3708 8.0027 122.0805 55.2203 18.2013 179.5816 72 M 4.0731 8.2364 115.9175 58.5144 32.0544 178.4978 73 E 4.3138 8.1760 117.6965 57.2423 29.7171 177.5943 74 G 4.0394 7.9509 107.9675 45.3489 0.0000 173.8157 75 F 4.4377 8.6027 124.5595 57.2779 39.5064 175.1940 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 2 C 8.34 4.55 0.00 2.98 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 3 L 7.83 4.50 0.00 1.45 1.42 0.86 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 4 A 8.91 4.31 1.37 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 0.00 0.00 0.00 5 V 8.05 4.34 2.01 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 0.80 0.00 0.00 0.31 0.00 0.00 6 P 0.00 4.94 0.00 2.12 2.14 0.00 3.83 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.19 0.00 7 G 9.14 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.84 4.04 0.00 0.79 0.97 0.00 0.94 0.00 0.00 1.17 0.00 0.00 2.46 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.75 0.21 7.81 9 V 8.72 4.04 2.04 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 0.85 0.00 0.00 0.88 0.00 0.00 10 I 8.62 4.31 1.77 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 0.99 0.88 0.78 0.00 0.00 11 E 7.81 4.70 0.00 1.97 1.71 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 2.24 2.27 0.00 12 V 8.32 4.55 2.05 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 0.86 0.00 0.00 0.95 0.00 0.00 13 N 9.05 4.86 0.00 2.69 2.64 0.00 0.00 6.60 8.75 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 14 G 8.17 4.10 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 0.00 0.00 0.00 15 P 0.00 4.46 0.00 2.21 2.31 0.00 3.63 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.98 0.00 16 V 7.59 5.01 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 0.65 0.00 0.00 0.99 0.00 0.00 17 A 9.02 5.11 1.18 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 18 V 8.49 4.56 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 0.94 0.00 0.00 0.90 0.00 0.00 19 V 8.84 4.66 2.12 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 0.43 0.00 0.00 0.88 0.00 0.00 20 D 8.79 5.07 0.00 2.59 2.26 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 21 F 9.52 4.72 0.00 3.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.94 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 9.23 3.94 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 0.00 0.00 0.00 24 V 7.77 4.15 2.27 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 0.93 0.00 0.00 0.95 0.00 0.00 25 K 8.63 5.09 0.00 1.68 1.71 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.45 7.81 26 R 9.05 4.79 0.00 1.85 1.79 0.00 2.88 0.00 0.00 2.97 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 27 E 8.67 4.92 0.00 1.95 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.25 0.00 28 V 8.70 4.56 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 1.00 0.00 0.00 1.04 0.00 0.00 29 R 8.61 4.38 0.00 0.67 1.26 0.00 3.12 0.00 0.00 3.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.00 0.00 30 L 8.87 4.81 0.00 1.64 1.66 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.39 4.51 0.00 3.03 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.06 4.38 0.00 1.93 1.77 0.87 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 33 M 7.74 4.85 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.68 0.00 34 P 0.00 4.55 0.00 2.05 2.12 0.00 3.69 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 2.05 2.25 0.00 35 D 7.89 4.59 0.00 2.79 2.79 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 0.00 0.00 0.00 36 T 7.65 4.05 4.24 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 1.19 0.00 0.00 37 K 8.93 4.70 0.00 1.86 1.84 0.00 1.31 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.34 7.81 38 P 0.00 4.42 0.00 2.00 2.13 0.00 3.60 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 39 G 8.79 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 0.00 0.00 0.00 40 D 7.72 4.54 0.00 2.68 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 W 8.76 5.01 0.00 3.50 3.09 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 42 V 8.98 5.08 2.16 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 0.77 0.00 0.00 0.95 0.00 0.00 43 I 8.57 4.93 1.97 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.77 1.02 0.00 0.00 44 V 8.50 5.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.16 0.00 0.00 45 H 9.25 4.87 0.00 3.21 3.14 0.00 5.98 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 T 9.48 3.56 4.34 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 1.26 0.00 0.00 47 G 8.31 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 F 8.42 4.91 0.00 3.29 3.02 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 0.00 0.00 0.00 49 A 8.82 4.75 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 50 I 9.05 4.57 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.92 1.01 0.00 0.00 51 E 8.05 4.77 0.00 2.08 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 0.00 2.33 2.35 0.00 52 K 8.68 5.11 0.00 1.85 1.72 0.00 2.00 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.66 7.81 53 L 8.89 5.05 0.00 1.59 1.55 0.97 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.68 4.67 0.00 2.89 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 55 E 8.97 3.76 0.00 1.99 2.01 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 0.00 2.32 1.95 0.00 56 K 7.99 3.97 0.00 1.78 1.80 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.47 7.81 57 K 7.82 3.86 0.00 2.02 1.91 0.00 1.55 0.00 0.00 1.62 0.00 0.00 3.05 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.47 7.81 58 A 7.84 3.70 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 M 7.65 3.72 0.00 1.92 1.97 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.54 0.00 60 E 7.97 3.85 0.00 2.05 2.18 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 2.26 2.32 0.00 61 I 7.62 3.72 2.02 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 1.52 0.75 1.12 0.00 0.00 62 L 8.24 4.34 0.00 1.78 1.76 0.76 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.52 4.00 0.00 1.97 1.96 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 2.24 2.20 0.00 64 A 7.79 4.11 1.11 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 0.00 0.00 0.00 65 W 8.11 4.13 0.00 3.63 3.42 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 0.00 0.00 0.00 0.00 66 A 8.47 4.09 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 E 7.97 3.96 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.43 0.00 68 V 7.63 3.66 2.31 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 1.22 0.00 0.00 0.86 0.00 0.00 69 E 8.60 4.05 0.00 2.30 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 0.00 2.44 2.68 0.00 70 K 8.23 3.96 0.00 1.95 2.10 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.58 1.54 7.81 71 A 8.00 4.37 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 M 8.24 4.07 0.00 2.03 2.23 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.64 0.00 73 E 8.18 4.31 0.00 2.45 2.34 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 2.46 2.49 0.00 74 G 7.95 4.04 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 0.00 0.00 0.00 75 F 8.60 4.44 0.00 3.30 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