NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.1081 8.0249 114.2717 59.9529 39.4565 174.6152 4 K 4.2296 7.9440 121.2807 54.0213 33.2988 170.7185 5 V 4.2251 8.9056 124.6153 60.8508 34.1146 174.6044 6 R 4.1235 8.5759 126.2950 56.5796 30.5797 176.0305 7 E 4.7002 8.3534 118.0426 54.5858 32.8327 175.1012 8 N 4.8549 8.3680 119.1296 52.7829 41.5378 173.6701 9 E 3.9053 8.9462 120.0220 56.4911 27.4994 171.4575 10 P 4.1825 0.0000 0.0000 62.8743 29.7687 176.4453 11 F 4.4013 8.3945 121.8418 57.5367 37.8962 176.1107 12 D 4.1912 8.0080 117.2489 56.1886 38.8500 173.0462 13 V 3.1449 7.7282 120.4418 64.2858 32.1102 176.2260 14 A 3.6997 8.1358 119.6069 53.1450 15.7383 178.2567 15 L 4.1076 7.9845 123.3385 58.7204 42.4994 178.6419 16 R 3.8441 7.8084 114.7618 57.7884 29.7270 177.1255 17 R 4.0642 8.3947 116.1245 57.9101 30.3679 178.3640 18 F 4.2438 7.9854 117.0477 59.4314 39.5124 177.1891 19 K 4.2197 8.1073 119.4408 57.9967 31.9009 178.4510 20 R 3.9864 7.3875 118.7316 58.6089 30.3021 177.3646 21 S 4.2821 7.9181 112.0390 61.3287 62.1501 173.5808 22 C 4.6806 7.4725 118.0350 60.4753 34.8735 175.1206 23 E 4.0116 8.3090 119.7248 59.4413 29.5025 178.7920 24 K 4.0743 8.1464 118.5790 58.3455 32.5402 177.0863 25 A 4.5833 7.9433 119.3248 53.3152 20.8789 177.6484 26 G 3.7370 8.6537 105.0244 48.2607 0.0000 175.8450 27 V 3.7635 7.8025 111.6149 63.2219 30.1718 176.4429 28 L 4.6987 8.0280 118.5934 53.9821 42.0321 178.1349 29 A 4.2306 7.6927 123.1933 55.3482 18.8349 179.2858 30 E 4.2921 8.3736 114.7194 58.5924 30.1828 176.5090 31 V 4.6902 7.2342 116.9986 61.0122 33.7349 174.8967 32 R 4.4582 9.0764 122.2969 57.5425 33.2902 175.1697 33 R 4.2723 7.5805 114.0925 55.3037 32.6149 172.2688 34 R 3.9253 7.7555 120.2068 55.6448 30.9901 176.1107 35 E 4.6417 7.5990 120.1370 54.0823 31.7116 175.6807 36 F 4.0980 8.4670 117.0135 59.2555 40.7318 178.4308 37 Y 3.6397 7.5613 116.0271 58.8065 36.7419 173.3743 38 E 4.1694 9.3806 121.0559 58.0066 30.6825 177.2759 39 K 4.1073 8.9143 119.3241 56.9132 30.7809 175.5751 40 P 4.4305 0.0000 0.0000 64.3824 31.0303 177.7317 41 T 3.9818 7.7120 110.4602 65.3776 69.1129 176.6494 42 T 3.9597 7.7594 118.8092 64.9952 68.5161 176.4377 43 E 3.9101 7.6375 121.7995 59.1374 29.1858 179.0799 44 R 3.8267 7.2640 115.9052 59.4223 30.1550 178.8020 45 K 4.1021 7.9431 117.7058 58.3606 32.2982 178.6501 46 R 3.8362 8.1195 119.4318 59.6778 30.0893 177.9052 47 A 3.9574 7.8905 120.5649 55.2939 18.0446 179.2130 48 K 3.7382 7.3504 117.1390 59.4031 32.1224 177.7558 49 A 4.4138 7.8570 119.3239 53.4189 19.4481 178.7650 50 S 4.2599 8.1067 111.3447 60.1040 63.6841 175.2931 51 A 4.5208 7.6622 123.3546 51.7835 19.0434 178.5443 52 V 3.7024 7.7861 117.4356 64.0983 31.6792 176.4624 53 K 4.1507 7.4909 123.0118 56.6424 31.8131 176.5557 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 3 I 8.02 4.11 1.88 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 1.42 1.13 0.92 0.00 0.00 4 K 7.94 4.23 0.00 1.83 1.77 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.49 7.81 5 V 8.91 4.23 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 0.87 0.00 0.00 0.96 0.00 0.00 6 R 8.58 4.12 0.00 1.83 1.86 0.00 3.36 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 7 E 8.35 4.70 0.00 1.83 1.67 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 2.13 2.19 0.00 8 N 8.37 4.85 0.00 2.63 2.67 0.00 0.00 7.16 7.65 0.00 0.00 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 E 8.95 3.91 0.00 2.40 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 10 P 0.00 4.18 0.00 2.10 2.03 0.00 3.77 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 1.98 1.95 0.00 11 F 8.39 4.40 0.00 3.16 3.17 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 0.00 12 D 8.01 4.19 0.00 2.75 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 13 V 7.73 3.14 1.91 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 0.63 0.00 0.00 0.02 0.00 0.00 14 A 8.14 3.70 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.98 4.11 0.00 1.74 1.68 1.15 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.81 3.84 0.00 1.97 2.15 0.00 3.08 0.00 0.00 3.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 17 R 8.39 4.06 0.00 1.69 2.00 0.00 2.21 0.00 0.00 2.86 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.50 0.00 18 F 7.99 4.24 0.00 3.25 3.12 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 0.00 0.00 0.00 0.00 19 K 8.11 4.22 0.00 1.80 1.88 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.59 1.40 7.81 20 R 7.39 3.99 0.00 1.88 1.95 0.00 3.24 0.00 0.00 3.12 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 21 S 7.92 4.28 0.00 4.11 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 22 C 7.47 4.68 0.00 2.94 2.74 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 0.00 0.00 0.00 0.00 23 E 8.31 4.01 0.00 2.01 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 2.33 2.33 0.00 24 K 8.15 4.07 0.00 1.80 1.90 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.38 7.81 25 A 7.94 4.58 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.65 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 7.80 3.76 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 0.79 0.00 0.00 0.98 0.00 0.00 28 L 8.03 4.70 0.00 1.72 1.70 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.69 4.23 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.37 4.29 0.00 2.06 2.17 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 2.39 2.30 0.00 31 V 7.23 4.69 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.97 0.00 0.00 32 R 9.08 4.46 0.00 1.81 1.89 0.00 3.02 0.00 0.00 2.49 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.56 0.00 33 R 7.58 4.27 0.00 1.77 1.92 0.00 3.48 0.00 0.00 3.24 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.48 0.00 34 R 7.76 3.93 0.00 2.30 2.18 0.00 2.94 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.43 0.00 35 E 7.60 4.64 0.00 1.16 1.47 0.00 0.00 0.00 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 2.06 0.00 36 F 8.47 4.10 0.00 2.99 3.11 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 37 Y 7.56 3.64 0.00 3.15 2.41 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 38 E 9.38 4.17 0.00 2.13 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 0.00 2.34 2.28 0.00 39 K 8.91 4.11 0.00 2.06 2.24 0.00 1.61 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.31 1.41 7.81 40 P 0.00 4.43 0.00 2.18 2.18 0.00 3.76 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.04 0.00 41 T 7.71 3.98 4.23 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 1.21 0.00 0.00 42 T 7.76 3.96 4.23 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 1.20 0.00 0.00 43 E 7.64 3.91 0.00 2.10 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 2.27 2.40 0.00 44 R 7.26 3.83 0.00 1.92 1.97 0.00 3.12 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 45 K 7.94 4.10 0.00 1.80 1.78 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.48 7.81 46 R 8.12 3.84 0.00 2.07 2.06 0.00 3.15 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 47 A 7.89 3.96 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 0.00 0.00 0.00 0.00 0.00 48 K 7.35 3.74 0.00 1.89 2.08 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.62 7.81 49 A 7.86 4.41 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.11 4.26 0.00 4.04 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 51 A 7.66 4.52 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 52 V 7.79 3.70 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 0.75 0.00 0.00 0.93 0.00 0.00 53 K 7.49 4.15 0.00 1.82 1.76 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.52 7.81