NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 F 4.5493 8.3244 119.4097 57.2747 41.1632 174.8918 3 M 4.2048 8.1068 120.1682 53.8603 32.8895 173.4846 4 K 4.5618 8.6586 125.6288 54.8563 35.0672 175.2027 5 S 4.8303 8.1723 116.2875 56.2289 65.0398 174.1978 6 T 3.8695 8.5902 116.5033 62.9647 68.9138 174.2495 7 G 3.7554 8.0492 108.2198 46.8084 0.0000 173.2496 8 I 4.4808 7.6517 118.0078 59.0099 39.9426 175.8260 9 V 4.4398 8.2301 123.6732 60.9414 33.9040 174.4020 10 R 4.7193 8.1540 124.4056 54.1927 33.2831 174.7492 11 K 4.3150 8.2992 120.8167 55.5199 33.1503 176.9010 12 V 3.8740 8.1176 122.3039 62.2230 32.3992 175.9674 13 D 4.7385 7.8934 125.9869 51.9548 41.4121 176.2703 14 E 3.8534 8.8167 118.9444 59.5222 29.3523 177.6765 15 L 4.1364 8.3045 117.6352 55.1110 42.6439 175.7738 16 G 3.7114 7.8629 104.9863 47.6795 0.0000 173.5536 17 R 4.7375 8.1363 116.6948 54.0721 33.3124 176.1944 18 V 4.6217 8.0594 112.3098 59.5225 35.0560 175.2530 19 V 4.3772 8.0804 121.3183 61.0127 33.3887 175.3445 20 I 4.1149 8.1816 127.9621 59.6502 38.1418 174.1209 21 P 4.3492 0.0000 0.0000 62.7238 31.8569 177.0532 22 I 3.6344 8.4886 120.3088 64.3998 37.7906 177.6672 23 E 3.9456 8.2161 119.6820 59.2613 29.3299 178.5432 24 L 4.1532 8.0775 118.7807 57.1606 41.8045 179.3300 25 R 3.9285 7.8859 117.8381 59.3300 30.1532 179.1413 26 R 3.9071 7.9904 117.5987 59.7362 29.9901 179.3156 27 T 3.9281 7.5488 113.5254 66.0666 68.5064 175.6693 28 L 4.3076 8.2110 120.2469 54.2247 42.7942 176.0724 29 G 3.8883 7.8453 105.2585 47.8181 0.0000 173.7851 30 I 4.4810 7.7481 118.4254 59.1155 39.9984 175.4240 31 A 4.7244 9.0469 126.2226 49.8609 22.4952 175.0206 32 E 4.1098 8.5227 119.8455 57.8568 29.8615 177.4498 33 K 4.0064 8.7563 123.5996 56.6953 31.5034 175.7570 34 D 4.6244 7.8490 117.0363 54.7084 41.6637 174.9178 35 A 4.8870 8.4028 121.8798 50.4706 21.3160 175.7128 36 L 4.9222 8.6014 121.8368 52.9454 44.4537 175.4109 37 E 4.4979 8.8943 123.4292 54.5110 32.1010 174.4416 38 I 4.9422 8.2235 126.2491 59.8691 39.7941 174.4609 39 Y 4.6615 9.3758 123.6534 56.1703 41.6085 174.8182 40 V 5.0237 8.2604 120.4357 61.2552 34.2577 174.5301 41 D 4.6624 9.2560 126.6027 53.2113 42.6856 174.6771 42 D 4.3500 9.6365 120.2643 55.8760 39.5827 173.2775 43 E 3.8519 8.2910 112.0591 56.8321 27.9220 174.8069 44 K 4.6675 8.5012 118.5916 54.5603 34.8845 174.8397 45 I 4.8167 8.1979 122.4968 60.0077 38.9395 174.9962 46 I 4.4400 8.6117 127.9261 59.5955 39.2911 174.4622 47 L 5.3845 8.5649 127.3066 52.8831 43.8249 175.9539 48 K 4.7286 8.7487 121.2203 54.5167 36.6468 175.4727 49 K 4.3337 8.7650 121.9957 57.1442 32.9979 175.1771 50 Y 4.8797 8.3556 127.4864 56.2011 39.8931 175.4716 51 K 4.1945 8.5224 128.4884 52.8866 32.3622 173.0402 52 P 4.1527 0.0000 0.0000 62.3399 32.1309 176.3856 53 N 4.5412 8.5358 117.4807 53.4655 38.8494 174.7414 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 F 8.32 4.55 0.00 3.11 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 3 M 8.11 4.20 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.64 0.00 4 K 8.66 4.56 0.00 1.78 1.70 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.41 7.81 5 S 8.17 4.83 0.00 3.78 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 6 T 8.59 3.87 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 1.21 0.00 0.00 7 G 8.05 3.76 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 0.00 0.00 0.00 8 I 7.65 4.48 1.87 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 1.30 0.72 0.91 0.00 0.00 9 V 8.23 4.44 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 0.89 0.00 0.00 0.93 0.00 0.00 10 R 8.15 4.72 0.00 1.73 1.73 0.00 3.33 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.67 0.00 11 K 8.30 4.32 0.00 1.79 1.71 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 1.42 7.81 12 V 8.12 3.87 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 0.81 0.00 0.00 0.93 0.00 0.00 13 D 7.89 4.74 0.00 2.87 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 14 E 8.82 3.85 0.00 1.93 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 2.30 2.37 0.00 15 L 8.30 4.14 0.00 1.63 1.66 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.86 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 17 R 8.14 4.74 0.00 2.12 1.81 0.00 3.07 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 18 V 8.06 4.62 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 0.67 0.00 0.00 0.94 0.00 0.00 19 V 8.08 4.38 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 0.92 0.00 0.00 0.93 0.00 0.00 20 I 8.18 4.11 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.66 0.92 0.00 0.00 21 P 0.00 4.35 0.00 2.21 2.19 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 22 I 8.49 3.63 1.87 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 1.53 1.19 0.91 0.00 0.00 23 E 8.22 3.95 0.00 2.11 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 0.00 2.38 2.47 0.00 24 L 8.08 4.15 0.00 1.89 1.69 0.92 0.78 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 25 R 7.89 3.93 0.00 2.03 1.99 0.00 3.13 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.88 0.00 26 R 7.99 3.91 0.00 1.87 1.97 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 27 T 7.55 3.93 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 1.21 0.00 0.00 28 L 8.21 4.31 0.00 1.64 1.72 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 29 G 7.85 3.89 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 0.00 0.00 0.00 30 I 7.75 4.48 1.88 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 1.27 1.00 0.93 0.00 0.00 31 A 9.05 4.72 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 32 E 8.52 4.11 0.00 1.94 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 2.31 2.32 0.00 33 K 8.76 4.01 0.00 1.95 1.96 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.46 7.81 34 D 7.85 4.62 0.00 2.94 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.40 4.89 1.52 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 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.60 4.92 0.00 1.54 1.61 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.89 4.50 0.00 1.86 1.95 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 2.13 1.94 0.00 38 I 8.22 4.94 1.84 0.00 0.00 0.84 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 0.74 0.93 0.00 0.00 39 Y 9.38 4.66 0.00 2.98 2.90 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 40 V 8.26 5.02 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 0.84 0.00 0.00 0.93 0.00 0.00 41 D 9.26 4.66 0.00 2.84 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 42 D 9.64 4.35 0.00 2.73 2.70 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 43 E 8.29 3.85 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 2.32 0.00 44 K 8.50 4.67 0.00 2.05 1.68 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.62 7.81 45 I 8.20 4.82 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.55 0.99 0.00 0.00 46 I 8.61 4.44 1.92 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.67 0.66 0.00 0.00 47 L 8.56 5.38 0.00 1.50 1.59 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.75 4.73 0.00 1.73 1.65 0.00 1.23 0.00 0.00 1.03 0.00 0.00 3.46 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.43 1.48 7.81 49 K 8.77 4.33 0.00 1.82 1.80 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.70 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.49 7.81 50 Y 8.36 4.88 0.00 2.87 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 51 K 8.52 4.19 0.00 1.68 1.61 0.00 1.83 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.23 1.34 7.81 52 P 0.00 4.15 0.00 1.88 1.81 0.00 3.24 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.74 0.00 53 N 8.54 4.54 0.00 2.68 2.68 0.00 0.00 6.84 7.58 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