NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.3838 8.1127 119.6562 56.1547 32.3189 173.6507 5 E 4.7542 8.3796 120.3248 53.1932 32.6059 173.5244 6 C 4.2155 9.7782 127.4379 59.5642 32.4670 173.6964 7 D 4.4586 8.4567 124.1657 55.5518 39.7040 175.5567 8 Y 4.4760 8.0126 118.3529 58.7074 41.1792 176.3987 9 C 3.9687 8.0919 113.7168 58.4648 30.7654 175.3193 10 G 3.9344 8.3737 107.7461 44.8374 0.0000 173.3865 11 T 4.4411 7.5678 109.8627 61.0298 70.7181 173.7304 12 D 4.8710 8.5664 122.4131 54.6348 41.7405 176.5155 13 I 4.1886 8.3616 124.5580 59.6048 37.5311 175.1933 14 E 3.7889 8.9384 128.1300 55.5509 29.5735 175.1505 15 P 4.2229 0.0000 0.0000 64.5607 31.4840 175.9181 16 G 3.8435 9.7732 107.8828 46.5442 0.0000 173.0151 17 T 4.4581 7.8297 113.5534 62.7555 72.5918 174.0988 18 G 4.1148 9.1494 108.7998 45.6034 0.0000 172.5635 19 T 4.8240 8.5204 113.7040 61.7861 72.9241 173.1214 20 M 5.0157 8.7428 124.0644 53.8809 34.3361 174.6208 21 F 4.9464 9.3732 129.1055 57.2522 41.7025 174.4073 22 V 4.5073 7.2706 124.4532 61.1938 33.3186 175.1679 23 H 4.1428 8.9009 125.9231 54.7404 29.5326 176.3990 24 K 3.8179 8.7126 121.8740 59.8460 31.9148 177.6544 25 D 4.3823 8.1021 116.7228 55.7648 39.1632 176.4716 26 G 3.7089 7.6769 104.7454 44.6678 0.0000 173.9199 27 A 4.2073 10.2615 123.2569 52.4755 19.7020 176.6648 28 T 4.9878 8.4140 116.1206 62.0878 71.5661 174.1467 29 T 4.5825 8.8370 121.9992 62.0207 71.8870 172.7453 30 H 4.9670 9.9402 125.0108 55.3630 30.3742 174.8494 31 F 5.2526 9.7850 121.2687 55.9700 41.8736 176.1546 32 C 4.3973 9.1215 116.3853 60.2049 30.6700 173.9317 33 S 4.6724 7.6978 113.8197 55.9540 66.6498 175.1143 34 S 4.6538 8.4878 118.6431 60.7891 62.6763 176.0745 35 K 3.7071 8.0774 122.8335 59.9100 31.7160 177.8896 36 C 4.3001 8.0221 115.7379 62.9748 28.1723 175.8795 37 E 2.6904 7.7704 119.1042 59.4458 28.9132 179.6200 38 N 4.1795 8.4578 116.4722 56.5210 38.4343 177.3499 39 N 4.3963 8.2013 117.5570 55.9779 38.5072 177.3701 40 A 4.2483 7.8254 122.3792 55.4945 18.3572 179.4195 41 D 3.7749 7.8054 115.6881 57.4160 40.8835 178.9138 42 L 4.1826 7.3719 118.6694 56.0418 41.6514 178.0618 43 G 4.0578 8.7491 107.4953 45.0086 0.0000 173.9229 44 R 4.2746 7.4323 118.3584 55.7370 31.0185 175.6429 45 E 4.6549 8.4890 119.8470 54.2386 31.9001 176.9247 46 A 3.3413 8.2237 126.3089 55.3579 18.5078 179.8234 47 R 3.7772 7.7448 113.4064 59.4627 30.1434 177.4017 48 N 4.4754 8.1169 112.2205 53.5878 38.8735 174.8383 49 L 4.4943 7.2448 119.7797 52.6199 42.1533 176.9222 50 E 3.9131 8.8466 124.8647 58.7596 29.5443 178.8457 51 W 4.4278 7.6159 114.0934 58.2409 29.0301 176.7800 52 T 3.6338 7.0370 117.9736 63.1112 68.1748 174.6626 53 D 4.3164 8.9125 126.8169 58.0073 40.8082 178.0418 54 T 3.7565 7.7534 114.4424 66.8022 68.7274 175.0835 55 A 3.9791 7.7297 123.6229 55.2445 18.6784 177.6096 56 R 4.0964 7.9290 118.6778 56.5718 30.1125 176.3323 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 4 R 8.11 4.38 0.00 1.77 1.89 0.00 3.00 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 5 E 8.38 4.75 0.00 1.94 1.75 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 2.13 2.38 0.00 6 C 9.78 4.22 0.00 3.06 2.95 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 7 D 8.46 4.46 0.00 2.68 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.01 4.48 0.00 2.75 3.01 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 0.00 0.00 0.00 9 C 8.09 3.97 0.00 3.06 3.32 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 10 G 8.37 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 0.00 0.00 0.00 11 T 7.57 4.44 4.29 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 1.31 0.00 0.00 12 D 8.57 4.87 0.00 2.61 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 13 I 8.36 4.19 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.61 0.97 0.00 0.00 14 E 8.94 3.79 0.00 1.92 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 2.32 2.42 0.00 15 P 0.00 4.22 0.00 2.22 2.07 0.00 3.90 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 16 G 9.77 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 7.83 4.46 4.55 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 18 G 9.15 4.11 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 0.00 19 T 8.52 4.82 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 20 M 8.74 5.02 0.00 1.98 1.85 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.41 0.00 21 F 9.37 4.95 0.00 3.28 3.18 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 22 V 7.27 4.51 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.84 0.00 0.00 23 H 8.90 4.14 0.00 3.36 3.21 0.00 5.69 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.71 3.82 0.00 1.74 1.88 0.00 1.82 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.45 7.81 25 D 8.10 4.38 0.00 2.82 2.81 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 26 G 7.68 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 27 A 10.26 4.21 1.20 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 0.00 0.00 0.00 0.00 0.00 28 T 8.41 4.99 4.26 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 1.20 0.00 0.00 29 T 8.84 4.58 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 30 H 9.94 4.97 0.00 3.15 3.26 0.00 5.75 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 31 F 9.79 5.25 0.00 2.97 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 32 C 9.12 4.40 0.00 3.16 3.15 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 0.00 0.00 0.00 33 S 7.70 4.67 0.00 4.04 4.02 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 34 S 8.49 4.65 0.00 3.98 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 35 K 8.08 3.71 0.00 1.76 1.86 0.00 1.43 0.00 0.00 1.48 0.00 0.00 2.13 0.00 0.00 2.36 0.00 0.00 0.00 0.00 1.45 1.35 7.81 36 C 8.02 4.30 0.00 3.45 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 37 E 7.77 2.69 0.00 1.80 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 1.47 2.23 0.00 38 N 8.46 4.18 0.00 2.77 2.79 0.00 0.00 7.16 6.96 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 39 N 8.20 4.40 0.00 3.13 3.15 0.00 0.00 6.91 7.00 0.00 0.00 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 A 7.83 4.25 1.19 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 0.00 0.00 0.00 41 D 7.81 3.77 0.00 2.69 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 42 L 7.37 4.18 0.00 1.87 1.76 0.95 0.97 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 43 G 8.75 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.43 4.27 0.00 2.15 2.00 0.00 3.24 0.00 0.00 3.37 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 45 E 8.49 4.65 0.00 1.97 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 2.34 2.29 0.00 46 A 8.22 3.34 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.74 3.78 0.00 1.72 1.92 0.00 3.14 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 48 N 8.12 4.48 0.00 2.77 2.84 0.00 0.00 6.92 7.40 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 49 L 7.24 4.49 0.00 1.20 0.88 1.23 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.85 3.91 0.00 2.02 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 0.00 2.31 2.32 0.00 51 W 7.62 4.43 0.00 3.57 3.23 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 0.00 52 T 7.04 3.63 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 0.94 0.00 0.00 53 D 8.91 4.32 0.00 2.79 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 54 T 7.75 3.76 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 1.05 0.00 0.00 55 A 7.73 3.98 1.25 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 0.00 0.00 0.00 56 R 7.93 4.10 0.00 1.93 1.83 0.00 3.20 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00