NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 L 4.1804 8.0433 122.4766 54.9363 43.9280 178.5000 20 K 3.7974 7.9061 117.2172 57.9924 32.0551 176.7665 21 G 3.6970 8.7481 108.2671 47.0942 0.0000 173.8775 22 L 4.2843 7.7468 119.2854 54.3166 42.4748 176.7386 23 V 3.9264 7.1019 118.9971 64.6485 31.6931 175.4767 24 N 4.1988 9.0934 121.6990 54.2239 37.1141 173.8725 25 H 4.7701 8.1953 116.3822 54.2821 31.5861 174.3619 26 R 4.6382 8.4236 121.0017 56.3043 31.0631 175.6114 27 V 5.0297 9.7754 120.1977 59.4217 36.5353 174.6959 28 G 4.3669 9.3246 108.5342 44.5634 0.0000 172.0789 29 V 4.7765 9.0778 126.4266 61.1374 33.2856 174.4355 30 K 4.4976 8.0639 129.9126 55.6067 33.4193 175.7268 31 L 4.7995 7.7081 126.2074 53.1507 43.2701 177.0281 32 K 4.1437 8.3416 121.3072 59.4367 32.1212 177.9511 33 F 4.7144 7.2885 112.7396 56.5976 40.2189 176.9705 34 N 4.1923 8.9524 117.8345 54.3885 36.6800 176.5464 35 S 4.6799 8.1460 109.6188 58.6947 62.6091 173.8915 36 T 4.9711 7.4945 117.3115 62.3278 71.8832 174.8460 37 E 4.8093 9.0039 126.2804 54.5590 33.5406 173.6326 38 Y 5.0944 8.8791 124.7907 56.8458 39.6144 174.6832 39 R 5.0310 9.3617 124.3019 54.4411 32.9157 176.5912 40 G 4.3732 8.1253 109.3200 46.2123 0.0000 171.3373 41 T 4.7316 7.9393 116.1829 62.2130 70.6694 174.7597 42 L 4.4007 8.9568 129.0669 54.4129 41.8800 177.4644 43 V 3.7080 8.3654 126.5546 65.3582 31.8924 175.8219 44 S 4.6418 7.6848 112.4025 58.5493 66.5321 172.5295 45 T 5.0020 7.7682 114.0781 65.6124 71.6916 172.5720 46 D 4.4955 8.6549 117.3510 53.8493 41.3602 177.2057 47 N 3.9788 8.7888 119.4183 56.9496 38.7890 175.8365 48 Y 4.0580 8.5482 113.2856 58.6395 38.2120 176.0595 49 F 3.6284 8.9992 119.3675 58.6878 37.2477 174.2150 50 N 5.5381 8.3076 117.8017 51.5997 40.5911 174.2758 51 L 5.0820 8.8886 123.7430 53.9148 44.9085 174.9724 52 Q 4.5258 8.6858 121.4574 54.1052 31.4884 173.8885 53 L 5.0928 8.5237 128.2238 53.1821 45.3632 174.3166 54 N 5.3453 8.8972 123.9897 51.2933 41.8652 173.9313 55 E 3.8333 8.5891 121.7189 57.4105 26.4848 174.7963 56 A 4.6173 8.0213 120.6435 51.7837 20.3511 177.4942 57 E 4.7920 10.1512 124.0865 54.2571 33.0933 174.2036 58 E 4.6518 9.2491 128.7105 55.5073 31.2470 174.6842 59 F 4.8947 9.4224 126.1779 55.5038 42.2248 174.5375 60 V 4.5194 8.5426 123.6316 60.9124 33.6186 175.3176 61 A 3.4880 9.5323 133.0507 53.3864 16.5474 177.4830 62 G 3.9952 8.5995 104.3129 47.0849 0.0000 173.9681 63 V 4.3956 7.6223 119.3204 60.1893 33.8085 174.9975 64 S 3.6412 8.5853 122.0960 58.7242 62.5903 173.3905 65 H 4.7638 8.6641 125.5889 56.0737 29.3120 174.1368 66 G 4.0355 7.6295 106.0171 44.9135 0.0000 173.6574 67 T 4.7663 8.1611 116.0898 61.9481 69.9303 174.8765 68 L 4.5801 9.4972 126.5663 53.2987 44.4496 178.4462 69 G 4.0434 8.6966 112.7629 47.1722 0.0000 176.1795 70 E 5.1987 9.3441 124.1739 54.8411 31.6279 174.5655 71 I 4.9305 8.2976 116.4603 59.1586 41.6283 173.8911 72 F 5.0696 8.9957 121.9394 55.8868 41.2393 174.7730 73 I 4.5888 8.8236 124.6575 59.5664 39.8433 174.7614 74 R 4.9749 8.5303 124.6264 55.3419 31.5606 176.7648 75 C 4.2385 9.9582 119.3847 61.7037 30.0347 176.0654 76 N 4.1525 8.3760 118.2041 55.8466 38.4050 175.8721 77 N 4.6885 8.0550 112.2228 53.8637 38.9109 174.6491 78 V 4.4616 8.2576 120.3953 61.8002 32.6757 174.8695 79 L 4.4313 8.7321 130.5439 56.9460 42.6152 175.6979 80 Y 5.0352 7.0480 114.3106 56.0128 41.8222 172.5392 81 I 5.2688 8.6861 120.1843 59.5562 40.0368 175.3588 82 R 4.8098 9.3333 122.4759 54.3052 33.4440 173.6023 83 E 4.7862 8.5952 120.9825 54.9447 30.6250 175.4690 84 L 4.2768 8.7293 128.6560 53.3927 42.5464 174.4517 85 P 4.1074 0.0000 0.0000 64.1731 30.8994 175.8215 86 N 4.3162 7.9109 119.6657 51.8471 37.6028 174.3869 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 19 L 8.04 4.18 0.00 1.45 1.52 -0.10 -0.01 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 20 K 7.91 3.80 0.00 1.91 1.84 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.46 7.81 21 G 8.75 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 22 L 7.75 4.28 0.00 1.84 1.68 0.90 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.10 3.93 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 0.85 0.00 0.00 0.98 0.00 0.00 24 N 9.09 4.20 0.00 2.83 2.85 0.00 0.00 6.94 8.25 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 25 H 8.20 4.77 0.00 3.33 3.22 0.00 5.80 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.42 4.64 0.00 1.90 1.82 0.00 3.12 0.00 0.00 3.33 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 27 V 9.78 5.03 2.21 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 0.83 0.00 0.00 1.01 0.00 0.00 28 G 9.32 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 0.00 0.00 0.00 0.00 29 V 9.08 4.78 2.21 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 0.90 0.00 0.00 0.98 0.00 0.00 30 K 8.06 4.50 0.00 1.20 0.74 0.00 1.36 0.00 0.00 1.50 0.00 0.00 2.87 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.92 1.12 7.81 31 L 7.71 4.80 0.00 1.02 0.77 0.78 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.34 4.14 0.00 1.80 1.92 0.00 1.93 0.00 0.00 1.92 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.51 7.81 33 F 7.29 4.71 0.00 3.14 3.03 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 34 N 8.95 4.19 0.00 2.91 2.77 0.00 0.00 6.72 7.57 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 35 S 8.15 4.68 0.00 3.80 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 36 T 7.49 4.97 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 0.71 0.00 0.00 37 E 9.00 4.81 0.00 1.83 1.66 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 0.00 2.11 2.04 0.00 38 Y 8.88 5.09 0.00 3.02 2.87 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 39 R 9.36 5.03 0.00 1.83 1.78 0.00 2.21 0.00 0.00 2.75 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.42 0.00 40 G 8.13 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 0.00 0.00 0.00 0.00 41 T 7.94 4.73 4.22 0.00 0.00 0.00 0.00 0.00 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 42 L 8.96 4.40 0.00 1.72 1.76 0.98 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.37 3.71 2.10 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 0.81 0.00 0.00 0.86 0.00 0.00 44 S 7.68 4.64 0.00 3.89 3.90 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 0.00 0.00 0.00 45 T 7.77 5.00 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 1.15 0.00 0.00 46 D 8.65 4.50 0.00 2.80 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.79 3.98 0.00 2.88 2.98 0.00 0.00 6.99 7.46 0.00 0.00 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 Y 8.55 4.06 0.00 3.45 3.05 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 49 F 9.00 3.63 0.00 3.23 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.31 5.54 0.00 2.94 2.83 0.00 0.00 6.49 6.74 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 51 L 8.89 5.08 0.00 1.70 1.70 0.93 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 8.69 4.53 0.00 1.90 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.78 0.00 0.00 0.00 0.00 0.00 1.60 1.16 0.00 53 L 8.52 5.09 0.00 1.63 1.34 0.93 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.90 5.35 0.00 2.75 2.57 0.00 0.00 7.08 7.19 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 55 E 8.59 3.83 0.00 2.16 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 2.22 2.29 0.00 56 A 8.02 4.62 1.26 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 0.00 0.00 57 E 10.15 4.79 0.00 2.01 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 0.00 2.01 2.21 0.00 58 E 9.25 4.65 0.00 2.23 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 2.14 2.05 0.00 59 F 9.42 4.89 0.00 3.11 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.54 4.52 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.62 0.00 0.00 61 A 9.53 3.49 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 62 G 8.60 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.62 4.40 2.23 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 1.06 0.00 0.00 1.04 0.00 0.00 64 S 8.59 3.64 0.00 3.29 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.66 4.76 0.00 2.98 3.20 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 66 G 7.63 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 67 T 8.16 4.77 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 1.28 0.00 0.00 68 L 9.50 4.58 0.00 1.63 1.60 1.02 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.70 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 70 E 9.34 5.20 0.00 1.94 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 2.33 2.25 0.00 71 I 8.30 4.93 1.76 0.00 0.00 0.49 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 1.15 0.84 0.00 0.00 72 F 9.00 5.07 0.00 2.85 3.03 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 73 I 8.82 4.59 1.89 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.77 0.94 0.00 0.00 74 R 8.53 4.97 0.00 1.80 1.92 0.00 3.66 0.00 0.00 3.45 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.62 0.00 75 C 9.96 4.24 0.00 3.11 3.69 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 76 N 8.38 4.15 0.00 2.79 3.01 0.00 0.00 6.93 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 N 8.06 4.69 0.00 2.86 3.02 0.00 0.00 6.65 7.56 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 78 V 8.26 4.46 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 0.80 0.00 0.00 1.05 0.00 0.00 79 L 8.73 4.43 0.00 1.48 1.45 0.94 0.98 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 80 Y 7.05 5.04 0.00 3.06 3.03 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 81 I 8.69 5.27 2.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.89 1.00 0.00 0.00 82 R 9.33 4.81 0.00 1.83 2.08 0.00 2.80 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.62 0.00 83 E 8.60 4.79 0.00 1.98 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 2.23 2.33 0.00 84 L 8.73 4.28 0.00 1.54 1.54 0.88 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.11 0.00 2.15 2.12 0.00 3.75 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 86 N 7.91 4.32 0.00 2.88 2.81 0.00 0.00 6.13 7.56 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