NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9206 8.3393 109.7360 45.6632 0.0000 173.5720 2 S 4.2055 8.2410 113.5651 57.1905 63.7609 172.5452 3 H 4.4833 8.0815 115.6430 54.1441 31.3238 174.3418 4 M 4.1416 8.5636 120.2241 54.5614 31.5245 176.8276 5 V 4.0913 8.1010 123.7061 61.0515 32.9517 174.6466 6 N 4.7963 8.5836 125.1809 51.1840 39.7359 174.1113 7 V 4.2658 7.8676 122.5406 59.4001 33.5411 175.1341 8 L 4.3421 7.7316 122.3478 55.0005 42.8377 173.4632 9 K 4.8529 9.3515 119.4572 53.5674 35.2570 176.7129 10 G 4.0715 7.7015 112.5866 46.5626 0.0000 172.4725 11 V 4.3154 7.8305 124.4872 60.7331 34.1986 174.1299 12 L 5.1575 8.5719 129.6969 53.6344 43.6552 175.1705 13 I 4.8687 8.9434 126.3267 59.2746 41.4170 173.6167 14 E 4.9405 8.6133 125.1668 54.8854 32.3542 173.5872 15 C 4.8226 8.7046 117.1303 60.3274 35.0951 173.7452 16 D 4.7517 7.3564 117.1226 50.5098 41.6768 174.2549 17 P 4.3476 0.0000 0.0000 64.8539 31.5101 178.7938 18 A 4.0289 8.0062 119.8568 54.9815 18.3420 179.0154 19 M 3.1247 8.1360 117.0632 58.3469 32.2497 178.2050 20 K 3.7213 7.3739 119.3575 59.7926 32.3211 178.7964 21 Q 4.0818 7.7889 117.9129 58.7122 28.6646 178.4278 22 F 4.4189 7.9385 115.5645 59.8967 37.8844 177.6288 23 L 4.3034 7.6505 119.5516 57.5514 41.2955 179.5435 24 L 4.0082 8.0200 118.9873 57.9993 41.6861 178.7669 25 Y 3.9906 8.0785 119.5016 60.7711 38.6216 178.0456 26 L 4.2462 8.8518 121.7363 58.1517 42.0073 178.3578 27 D 4.1297 8.5324 117.7057 57.2252 41.1582 177.6716 28 E 4.0612 8.3368 118.7958 59.5971 29.5301 179.2070 29 S 4.1977 7.8333 113.7892 59.2840 63.9160 174.1561 30 N 4.2241 9.2282 119.4495 54.3842 37.5888 175.5790 31 A 4.0331 8.1155 120.2250 54.6018 18.9191 178.8913 32 L 3.3460 7.6971 113.3048 53.9091 42.1971 177.1835 33 G 4.0653 7.9983 106.5196 45.8648 0.0000 173.7157 34 K 4.5992 7.7680 117.1081 54.3943 35.9079 177.0334 35 K 4.1669 8.4159 122.8737 54.9001 31.4297 176.4449 36 F 4.2109 7.9417 119.7336 59.2050 38.4123 175.7632 37 I 4.2160 6.0208 123.2204 59.6746 37.0548 175.2500 38 I 4.0036 8.7220 129.8410 63.5624 37.6328 176.7574 39 Q 4.7339 7.8194 117.3519 54.4523 32.0838 172.6795 40 D 5.3060 8.7715 121.8973 52.1407 41.2607 175.9736 41 I 4.2544 8.2024 115.9609 59.4724 40.6819 173.7285 42 D 4.7163 8.2347 123.7853 54.9819 39.9412 175.2845 43 D 4.6584 8.5249 127.9269 55.3391 41.0036 174.8088 44 T 4.3246 7.5248 112.2255 63.8569 69.6890 173.6896 45 H 5.2490 8.1527 119.4594 54.0189 31.8475 173.8022 46 V 4.7270 8.9988 120.9038 61.1285 34.9638 173.7717 47 F 5.2791 9.1182 130.2627 56.5022 41.3722 174.6085 48 V 5.4362 7.7529 125.0377 58.6009 34.8362 175.0131 49 I 3.9635 8.1524 122.2327 60.3080 38.6094 176.6814 50 A 3.9864 8.5042 128.2739 55.3078 17.9655 179.9087 51 E 4.0724 8.2386 116.2743 58.4383 29.8471 178.2270 52 L 4.7142 7.5995 116.9603 55.1434 41.2014 178.4111 53 V 3.5882 7.4942 120.4202 65.3233 31.0939 177.7446 54 N 4.2917 8.2935 116.5783 56.5457 38.2732 177.4009 55 V 3.6582 7.9946 113.7714 64.2397 31.5989 178.5883 56 L 3.8330 7.8837 118.8919 57.5985 41.3826 179.4918 57 Q 3.9901 7.8378 117.9292 58.9142 28.7584 178.4957 58 E 4.0060 8.1215 118.5190 59.1415 29.6777 179.1584 59 R 3.7841 7.9400 119.7868 59.2550 29.9285 178.7197 60 V 3.5753 8.1051 117.4502 65.5688 31.5473 177.9956 61 G 3.6826 7.8387 104.5216 47.5174 0.0000 175.2502 62 E 4.3264 8.4066 120.5735 56.2489 29.7370 177.8546 63 L 4.1404 7.4891 120.0599 56.8627 42.4859 177.7575 64 M 4.1200 8.0595 117.4207 59.0392 32.1938 176.8134 65 D 4.5237 8.5085 115.6096 54.7654 42.0332 176.1068 66 Q 5.1640 6.6853 120.9640 55.3901 32.3494 172.5708 67 N 4.7822 8.0047 117.7622 51.0062 39.4413 175.3703 68 A 4.2595 8.2764 122.6005 51.7927 17.0925 176.6955 69 F 4.6881 8.2264 122.2555 57.0018 39.8307 173.3051 70 S 4.2178 7.8718 119.5583 57.0488 64.5071 173.6092 71 L 4.5738 7.6300 125.5856 54.4949 42.0163 178.2389 72 T 4.0434 7.7553 115.1373 64.2608 67.6816 174.5957 73 Q 4.2495 7.5308 117.5113 55.2959 33.2638 173.9969 74 K 4.1146 8.0656 122.0942 56.8082 33.1600 174.5967 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 8.34 3.92 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 0.00 0.00 0.00 2 S 8.24 4.21 0.00 4.14 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 3 H 8.08 4.48 0.00 3.18 3.23 0.00 5.71 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 M 8.56 4.14 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.50 0.00 5 V 8.10 4.09 1.98 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 0.74 0.00 0.00 0.77 0.00 0.00 6 N 8.58 4.80 0.00 2.65 2.73 0.00 0.00 6.92 7.64 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 7 V 7.87 4.27 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 0.83 0.00 0.00 0.87 0.00 0.00 8 L 7.73 4.34 0.00 1.76 1.61 1.04 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.35 4.85 0.00 1.75 1.77 0.00 2.01 0.00 0.00 1.80 0.00 0.00 2.84 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.36 1.38 7.81 10 G 7.70 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 0.00 0.00 0.00 11 V 7.83 4.32 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 0.96 0.00 0.00 0.86 0.00 0.00 12 L 8.57 5.16 0.00 1.91 1.65 1.04 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.94 4.87 1.86 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 1.27 1.18 0.93 0.00 0.00 14 E 8.61 4.94 0.00 1.77 1.39 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 0.00 2.14 2.11 0.00 15 C 8.70 4.82 0.00 2.92 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 16 D 7.36 4.75 0.00 2.71 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.35 0.00 2.17 2.36 0.00 3.59 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 2.10 2.12 0.00 18 A 8.01 4.03 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.14 3.12 0.00 2.30 1.96 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 20 K 7.37 3.72 0.00 1.87 1.89 0.00 1.56 0.00 0.00 1.62 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.58 1.51 7.81 21 Q 7.79 4.08 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.70 0.00 0.00 0.00 0.00 0.00 2.46 2.61 0.00 22 F 7.94 4.42 0.00 3.19 3.24 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 23 L 7.65 4.30 0.00 1.87 2.05 0.91 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.02 4.01 0.00 1.97 1.75 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 8.08 3.99 0.00 3.26 3.22 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 0.00 26 L 8.85 4.25 0.00 2.08 1.97 0.97 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 27 D 8.53 4.13 0.00 2.42 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.34 4.06 0.00 2.00 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 2.38 0.00 29 S 7.83 4.20 0.00 4.08 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 30 N 9.23 4.22 0.00 2.98 2.81 0.00 0.00 7.07 6.17 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 31 A 8.12 4.03 1.27 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 32 L 7.70 3.35 0.00 1.53 1.47 0.68 0.69 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 33 G 8.00 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 0.00 0.00 0.00 34 K 7.77 4.60 0.00 1.74 1.73 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.58 1.58 7.81 35 K 8.42 4.17 0.00 1.67 1.62 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.27 1.37 7.81 36 F 7.94 4.21 0.00 3.26 3.29 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 37 I 6.02 4.22 1.77 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 1.43 0.92 0.63 0.00 0.00 38 I 8.72 4.00 2.11 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.90 0.99 0.00 0.00 39 Q 7.82 4.73 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.87 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 40 D 8.77 5.31 0.00 2.89 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 41 I 8.20 4.25 1.84 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.11 0.88 0.00 0.00 42 D 8.23 4.72 0.00 2.65 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 D 8.52 4.66 0.00 2.82 2.75 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 0.00 0.00 0.00 0.00 44 T 7.52 4.32 4.14 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 1.17 0.00 0.00 45 H 8.15 5.25 0.00 3.15 3.23 0.00 5.56 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 9.00 4.73 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 1.20 0.00 0.00 0.93 0.00 0.00 47 F 9.12 5.28 0.00 3.22 3.07 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 48 V 7.75 5.44 2.14 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 0.40 0.00 0.00 0.98 0.00 0.00 49 I 8.15 3.96 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.56 0.92 0.00 0.00 50 A 8.50 3.99 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 51 E 8.24 4.07 0.00 1.96 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 0.00 2.33 2.33 0.00 52 L 7.60 4.71 0.00 1.86 1.87 0.99 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 53 V 7.49 3.59 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 0.86 0.00 0.00 0.88 0.00 0.00 54 N 8.29 4.29 0.00 2.75 2.93 0.00 0.00 7.30 7.68 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 55 V 7.99 3.66 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 0.88 0.00 0.00 1.01 0.00 0.00 56 L 7.88 3.83 0.00 1.79 1.57 0.86 -0.29 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 57 Q 7.84 3.99 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.89 0.00 0.00 0.00 0.00 0.00 2.59 2.34 0.00 58 E 8.12 4.01 0.00 2.21 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 0.00 2.54 2.37 0.00 59 R 7.94 3.78 0.00 1.84 1.99 0.00 3.15 0.00 0.00 2.95 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 60 V 8.11 3.58 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 0.83 0.00 0.00 1.02 0.00 0.00 61 G 7.84 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.41 4.33 0.00 2.06 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 0.00 2.27 2.44 0.00 63 L 7.49 4.14 0.00 1.58 1.59 0.89 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 64 M 8.06 4.12 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.46 0.00 65 D 8.51 4.52 0.00 2.60 2.66 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 0.00 0.00 0.00 66 Q 6.69 5.16 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.57 0.00 0.00 0.00 0.00 0.00 2.18 2.18 0.00 67 N 8.00 4.78 0.00 2.94 2.78 0.00 0.00 6.51 7.27 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 68 A 8.28 4.26 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 69 F 8.23 4.69 0.00 2.89 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 70 S 7.87 4.22 0.00 3.78 3.68 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 0.00 0.00 0.00 0.00 71 L 7.63 4.57 0.00 1.34 1.50 0.81 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 72 T 7.76 4.04 4.19 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 0.00 0.00 0.00 1.17 0.00 0.00 73 Q 7.53 4.25 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 5.97 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 74 K 8.07 4.11 0.00 1.84 1.71 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.29 1.45 7.81