NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1341 8.2649 123.5818 52.5055 19.4527 177.7947 2 K 3.7149 8.7266 124.0431 56.4542 31.5039 172.9587 3 T 4.4962 8.8517 113.4413 64.7184 74.8219 171.4555 4 I 3.6251 7.7048 127.2458 60.0654 37.3179 172.2325 5 K 4.8681 8.2570 122.2011 54.8387 34.9474 175.6909 6 I 4.5786 8.7580 125.1592 60.8636 39.9644 174.6675 7 T 4.6753 7.7037 116.9563 63.2003 73.0664 175.0042 8 Q 3.9814 9.2010 126.1862 58.6168 29.4265 178.5732 9 T 3.5026 8.2295 102.9693 62.2875 68.5245 171.9665 10 R 4.4770 7.8620 121.4712 54.6604 34.0021 174.9884 11 S 4.0822 8.9028 117.9519 59.0933 63.1110 174.2904 12 A 4.7328 8.4420 126.7963 52.2632 18.3130 178.5250 13 I 3.5476 7.0768 120.0855 66.5193 37.3588 177.4339 14 G 3.9367 8.0567 111.3789 46.4695 0.0000 173.7346 15 R 4.3069 7.4259 119.1591 55.1491 30.9521 177.0814 16 L 4.1503 8.2523 119.2852 54.3997 43.5772 176.8159 17 P 4.2235 0.0000 0.0000 65.7121 31.1479 179.0028 18 K 4.0330 7.9709 118.0016 59.3242 32.1750 178.5741 19 H 4.3564 7.9896 116.2253 58.6907 28.7606 177.2326 20 K 3.8520 8.1320 119.0203 59.6934 32.1944 178.7014 21 A 4.1562 8.1680 120.7291 55.4486 18.0088 179.7763 22 T 3.9543 7.6988 107.4050 64.2030 68.7132 176.0548 23 L 4.2079 7.7511 121.6341 57.0430 41.8393 178.7170 24 L 4.1643 7.8388 118.2245 57.0161 41.5521 178.8156 25 G 3.9116 7.8675 103.4937 45.4040 0.0000 174.6931 26 L 4.5935 7.4183 117.9048 52.9549 43.1688 176.6236 27 G 3.8791 7.6603 106.5631 45.2123 0.0000 171.3441 28 L 4.1402 7.5658 119.1872 55.5415 41.3823 175.3913 29 R 4.1003 7.9013 125.0888 57.8084 30.8636 180.7040 30 R 4.2266 7.5279 122.1187 56.1692 31.4738 177.8687 31 I 3.8555 8.0065 110.2132 61.1475 35.1586 171.0365 32 G 3.6424 8.2829 119.7069 45.9491 0.0000 171.2799 33 H 4.2870 8.6809 124.1604 56.4041 30.4512 174.9399 34 T 4.1587 7.5749 113.3146 64.4170 66.1632 172.8193 35 V 3.7897 7.3007 120.8664 61.1493 32.9137 175.1682 36 E 4.7104 8.6524 124.7909 54.7461 29.9434 174.0228 37 R 4.0168 7.5430 128.3827 56.0547 30.2490 177.6201 38 E 4.6386 7.6679 119.6640 56.3127 33.7332 174.0301 39 D 4.9027 8.6362 114.7074 53.0554 41.1525 175.5608 40 T 4.4728 7.3561 118.0019 61.5882 70.3462 174.9301 41 P 4.3861 0.0000 0.0000 64.7184 31.4239 177.3601 42 A 4.1261 7.5564 122.3911 54.8225 18.5525 179.4603 43 I 3.8116 7.5530 108.1564 62.8111 38.0718 177.7117 44 R 3.8797 8.5781 121.4928 57.4418 30.2832 177.8527 45 G 3.6349 7.8482 103.3324 47.2789 0.0000 175.2835 46 M 4.2594 7.4742 120.7710 57.8708 31.9041 178.3503 47 I 3.6266 7.2524 120.4213 64.5405 37.1403 177.8217 48 N 4.3526 8.2878 116.0160 56.3578 36.7374 176.3211 49 A 4.1370 7.4003 120.8506 54.3824 18.8653 179.7975 50 V 3.9031 7.3277 109.6073 61.0533 32.5768 178.4571 51 S 4.1806 8.1143 116.9994 61.3978 63.2140 175.9303 52 F 4.4139 8.1555 111.2008 57.8584 37.4858 175.3183 53 M 4.8567 7.5972 121.7250 53.5930 32.7510 175.7937 54 V 5.1764 7.4936 111.3491 61.0291 34.3881 174.6121 55 K 4.3843 8.7254 127.7576 55.2156 33.9065 175.0169 56 V 4.6825 8.3447 126.9792 61.1503 33.3553 173.9975 57 E 4.6054 8.5820 128.7840 54.3067 31.9466 175.4772 58 E 4.1816 8.7421 126.4286 56.3654 29.7780 175.4028 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 A 8.26 4.13 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 2 K 8.73 3.71 0.00 2.14 1.85 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.52 7.81 3 T 8.85 4.50 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 1.24 0.00 0.00 4 I 7.70 3.63 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.81 0.94 0.00 0.00 5 K 8.26 4.87 0.00 1.66 1.66 0.00 1.63 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.42 7.81 6 I 8.76 4.58 1.85 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 0.91 0.88 0.00 0.00 7 T 7.70 4.68 4.22 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 1.19 0.00 0.00 8 Q 9.20 3.98 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.02 0.00 0.00 0.00 0.00 0.00 2.58 2.24 0.00 9 T 8.23 3.50 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 1.20 0.00 0.00 10 R 7.86 4.48 0.00 1.79 1.89 0.00 3.62 0.00 0.00 3.42 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 11 S 8.90 4.08 0.00 4.01 4.04 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 0.00 0.00 0.00 12 A 8.44 4.73 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 13 I 7.08 3.55 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 1.24 0.65 0.92 0.00 0.00 14 G 8.06 3.94 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 0.00 0.00 0.00 15 R 7.43 4.31 0.00 2.02 2.04 0.00 3.33 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 16 L 8.25 4.15 0.00 1.50 1.53 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.22 0.00 2.15 2.11 0.00 3.58 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 18 K 7.97 4.03 0.00 1.81 1.78 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.54 7.81 19 H 7.99 4.36 0.00 3.41 3.33 0.00 5.71 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.13 3.85 0.00 1.89 1.92 0.00 1.93 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.72 7.81 21 A 8.17 4.16 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 22 T 7.70 3.95 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 1.29 0.00 0.00 23 L 7.75 4.21 0.00 1.85 1.72 0.85 0.75 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 24 L 7.84 4.16 0.00 1.77 1.74 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.87 3.91 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 0.00 0.00 0.00 26 L 7.42 4.59 0.00 1.64 1.69 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.66 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.57 4.14 0.00 1.72 1.64 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.90 4.10 0.00 1.81 1.86 0.00 3.20 0.00 0.00 3.21 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 30 R 7.53 4.23 0.00 1.81 1.92 0.00 3.22 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 31 I 8.01 3.86 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 1.35 0.52 0.91 0.00 0.00 32 G 8.28 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.68 4.29 0.00 3.08 3.35 0.00 6.08 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.57 4.16 4.15 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 1.22 0.00 0.00 35 V 7.30 3.79 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 0.84 0.00 0.00 0.97 0.00 0.00 36 E 8.65 4.71 0.00 1.93 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 0.00 2.21 2.27 0.00 37 R 7.54 4.02 0.00 1.91 1.70 0.00 3.39 0.00 0.00 3.15 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 38 E 7.67 4.64 0.00 1.90 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 39 D 8.64 4.90 0.00 2.60 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 40 T 7.36 4.47 4.32 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 1.23 0.00 0.00 41 P 0.00 4.39 0.00 2.03 2.12 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 42 A 7.56 4.13 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 43 I 7.55 3.81 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.73 0.91 0.00 0.00 44 R 8.58 3.88 0.00 1.80 2.08 0.00 3.08 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 45 G 7.85 3.63 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 0.00 0.00 0.00 46 M 7.47 4.26 0.00 1.89 2.24 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.57 0.00 47 I 7.25 3.63 2.00 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 1.77 1.40 0.88 0.00 0.00 48 N 8.29 4.35 0.00 2.88 2.99 0.00 0.00 5.97 7.26 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 49 A 7.40 4.14 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 50 V 7.33 3.90 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 0.53 0.00 0.00 0.87 0.00 0.00 51 S 8.11 4.18 0.00 4.01 4.33 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 52 F 8.16 4.41 0.00 3.20 3.16 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 0.00 0.00 0.00 53 M 7.60 4.86 0.00 1.83 1.76 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.94 0.00 54 V 7.49 5.18 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 0.70 0.00 0.00 0.98 0.00 0.00 55 K 8.73 4.38 0.00 1.78 1.65 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.36 7.81 56 V 8.34 4.68 2.07 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 0.87 0.00 0.00 0.91 0.00 0.00 57 E 8.58 4.61 0.00 2.00 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 2.19 2.21 0.00 58 E 8.74 4.18 0.00 1.94 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 2.23 2.35 0.00