NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.1852 7.9133 120.6711 62.9969 33.3064 174.1308 3 D 5.4330 8.7209 127.3242 52.7137 43.8423 173.6059 4 Y 5.2389 8.8713 118.3427 56.2513 42.5580 174.4442 5 I 4.7574 8.5647 116.0341 59.7352 40.3454 174.7741 6 V 4.1930 8.6715 125.3860 62.8220 31.9343 176.0771 7 E 4.3049 9.4575 127.2802 56.9721 31.1509 175.9948 8 Y 4.9010 7.8517 115.6954 55.8923 41.9280 174.9474 9 D 4.8391 9.2265 123.4165 55.4149 41.7957 175.3379 10 Y 4.7758 9.0855 122.4599 55.8953 42.8102 173.3789 11 D 5.0082 7.1951 124.0609 51.7941 43.0587 176.0842 12 A 4.2156 8.1039 126.9232 52.8130 18.8715 177.1342 13 V 4.1362 8.5015 120.6548 63.0878 33.4664 175.4097 14 H 5.0828 7.6978 115.1084 53.4754 32.3798 173.8792 15 D 4.3938 8.8804 121.4340 57.3031 40.9881 177.3022 16 D 4.8003 8.1014 116.8094 53.1819 39.7239 175.1899 17 E 5.2371 7.9593 118.8864 55.5915 31.4532 175.3445 18 L 4.7216 9.1540 122.5621 53.8589 43.5262 176.4397 19 T 4.6456 8.5315 120.2907 62.7186 69.3242 174.1489 20 I 4.8223 8.6253 120.1446 59.0916 41.1867 174.7751 21 R 5.1817 8.6859 121.5269 53.8873 34.2937 175.1963 22 V 3.7903 8.4518 121.2824 65.1451 31.7379 176.0442 23 G 4.0495 8.8655 115.7364 45.2634 0.0000 173.7233 24 E 4.1591 8.0532 119.4551 56.4443 30.8090 176.1720 25 I 4.7064 8.1611 124.0636 60.0250 38.6689 175.3018 26 I 4.3327 8.6063 129.4902 60.7228 38.3487 175.3874 27 R 5.3432 9.0100 123.9163 53.8896 32.0637 175.3430 28 N 4.3905 8.7223 116.9718 54.8560 37.0193 174.4467 29 V 4.1990 8.0384 118.0839 63.0161 32.9813 176.2509 30 K 4.7840 9.3559 126.1395 54.2807 36.2928 175.8775 31 K 4.4787 8.7150 122.5078 56.5316 32.7537 176.3750 32 L 4.8473 7.6962 123.2598 52.6118 43.8773 176.8295 33 Q 4.0306 8.8119 119.0805 59.1834 28.6296 177.2267 34 E 3.9901 8.0611 119.0349 55.6743 29.7148 175.7365 35 E 3.9477 8.7392 125.8248 57.7654 30.2117 176.8002 36 G 3.9916 9.4857 114.2324 44.6476 0.0000 172.1868 37 W 5.0797 7.9688 119.2667 54.6526 32.9722 174.5229 38 L 4.9919 8.5811 122.5741 52.7057 45.5313 174.8536 39 E 4.8999 8.2893 121.1330 54.7777 32.8398 175.1512 40 G 4.2774 8.8240 111.7887 46.0427 0.0000 170.7955 41 E 5.2925 8.9487 120.7208 54.2287 32.1726 174.7528 42 L 4.7859 9.0209 128.4875 53.6735 45.5587 175.7230 43 N 4.2292 9.8018 125.1653 54.7829 37.1414 174.6161 44 G 3.9703 8.2428 102.9983 45.5839 0.0000 172.7843 45 R 4.7292 7.9346 120.0694 54.4123 33.3758 174.2269 46 R 5.1829 8.4462 123.7669 54.9467 32.5009 175.4166 47 G 4.2812 8.9845 108.9179 46.0190 0.0000 172.0471 48 M 5.5732 9.2937 118.4655 53.6964 33.9079 174.9272 49 F 5.0104 7.7092 112.0055 55.4877 40.7731 171.2754 50 P 3.8366 0.0000 0.0000 61.9280 32.3007 176.7200 51 D 4.5281 8.6888 121.3861 54.9189 39.7806 176.7750 52 N 4.6207 7.9936 116.1078 53.5896 38.0782 175.3784 53 F 4.6737 8.1957 117.8715 58.1876 39.5489 175.1640 54 V 5.1667 7.5271 112.6377 59.7373 36.2176 174.3540 55 K 4.6405 9.1707 122.6398 54.3563 35.5039 175.0718 56 E 2.7446 8.4668 128.3520 56.1663 30.1563 175.8390 57 I 4.1228 8.1716 128.5473 60.2999 38.2219 176.2835 58 K 4.1247 8.4449 125.3990 56.5268 32.5549 175.9395 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 V 7.91 4.19 2.25 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 1.09 0.00 0.00 0.99 0.00 0.00 3 D 8.72 5.43 0.00 2.76 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 4 Y 8.87 5.24 0.00 2.84 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.56 4.76 1.86 0.00 0.00 0.83 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 0.73 0.91 0.00 0.00 6 V 8.67 4.19 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 1.12 0.00 0.00 0.83 0.00 0.00 7 E 9.46 4.30 0.00 1.88 1.40 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 0.00 2.13 2.23 0.00 8 Y 7.85 4.90 0.00 2.84 2.84 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 9 D 9.23 4.84 0.00 2.70 2.71 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 10 Y 9.09 4.78 0.00 2.23 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.20 5.01 0.00 2.23 2.32 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 12 A 8.10 4.22 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.50 4.14 2.26 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 0.59 0.00 0.00 0.89 0.00 0.00 14 H 7.70 5.08 0.00 3.17 3.09 0.00 5.68 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.88 4.39 0.00 2.68 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 16 D 8.10 4.80 0.00 2.85 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.96 5.24 0.00 2.21 2.25 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 2.47 2.36 0.00 18 L 9.15 4.72 0.00 1.65 1.64 1.16 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.53 4.65 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 1.27 0.00 0.00 20 I 8.63 4.82 1.77 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.99 0.72 0.00 0.00 21 R 8.69 5.18 0.00 1.72 1.81 0.00 3.38 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 22 V 8.45 3.79 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 0.66 0.00 0.00 1.01 0.00 0.00 23 G 8.87 4.05 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 0.00 0.00 0.00 24 E 8.05 4.16 0.00 2.03 1.85 0.00 0.00 0.00 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 2.41 0.00 25 I 8.16 4.71 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 1.35 0.81 0.97 0.00 0.00 26 I 8.61 4.33 1.89 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.11 0.99 0.00 0.00 27 R 9.01 5.34 0.00 1.97 2.07 0.00 3.22 0.00 0.00 3.21 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.42 0.00 28 N 8.72 4.39 0.00 2.89 2.90 0.00 0.00 6.99 7.71 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 29 V 8.04 4.20 2.32 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 0.42 0.00 0.00 0.96 0.00 0.00 30 K 9.36 4.78 0.00 1.63 1.61 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.40 7.81 31 K 8.71 4.48 0.00 1.64 1.74 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.44 7.81 32 L 7.70 4.85 0.00 1.47 1.67 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.81 4.03 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.96 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 34 E 8.06 3.99 0.00 2.10 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 2.16 2.26 0.00 35 E 8.74 3.95 0.00 1.97 1.93 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 2.32 2.28 0.00 36 G 9.49 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 0.00 0.00 0.00 37 W 7.97 5.08 0.00 3.14 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.58 4.99 0.00 0.41 0.97 0.55 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.29 4.90 0.00 1.94 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 2.18 2.23 0.00 40 G 8.82 4.28 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 0.00 41 E 8.95 5.29 0.00 2.08 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 2.22 2.24 0.00 42 L 9.02 4.79 0.00 1.66 1.43 0.90 0.44 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 43 N 9.80 4.23 0.00 2.81 2.79 0.00 0.00 7.20 7.98 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 44 G 8.24 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.93 4.73 0.00 1.88 1.76 0.00 3.09 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 46 R 8.45 5.18 0.00 1.75 1.85 0.00 3.32 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 47 G 8.98 4.28 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 0.00 48 M 9.29 5.57 0.00 2.08 2.35 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.29 0.00 49 F 7.71 5.01 0.00 2.82 3.09 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 0.00 0.00 0.00 0.00 50 P 0.00 3.84 0.00 2.08 0.98 0.00 2.62 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 51 D 8.69 4.53 0.00 2.77 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 52 N 7.99 4.62 0.00 2.65 2.88 0.00 0.00 6.05 7.43 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 53 F 8.20 4.67 0.00 3.22 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.53 5.17 2.40 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 0.69 0.00 0.00 1.29 0.00 0.00 55 K 9.17 4.64 0.00 1.79 1.58 0.00 1.61 0.00 0.00 1.53 0.00 0.00 2.76 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.23 1.33 7.81 56 E 8.47 2.74 0.00 1.39 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 2.04 1.81 0.00 57 I 8.17 4.12 1.93 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 0.68 0.88 0.00 0.00 58 K 8.44 4.12 0.00 1.65 1.62 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.27 1.29 7.81