NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4540 8.2893 118.1947 55.2058 32.5763 174.8635 2 T 4.1192 8.1413 110.5870 59.7825 70.0742 172.4121 3 P 4.3266 0.0000 0.0000 62.3133 32.9570 177.3766 4 A 4.1900 8.4538 124.8327 52.1977 18.9420 177.3239 5 V 4.7645 8.2437 115.9835 59.8652 34.6715 175.3242 6 T 4.6229 8.7505 119.9324 62.0225 71.8563 173.3111 7 T 4.8590 8.3206 121.7146 63.1557 69.6074 173.7653 8 Y 5.0396 9.2690 124.6170 56.2535 41.0979 174.6592 9 K 5.2778 9.2062 123.3835 54.6415 35.7355 174.3680 10 L 4.9432 8.6088 128.0603 53.1497 44.7378 174.9751 11 V 4.5683 8.6885 127.0935 61.5922 33.3708 174.3515 12 I 4.5670 8.7694 129.6514 59.4395 39.4634 175.3656 13 N 5.2940 8.8559 127.2605 51.5938 37.5422 174.0765 14 G 4.0648 8.3294 108.8876 44.5756 0.0000 172.8569 15 K 4.2707 9.5949 120.2408 58.7611 32.0450 178.7156 16 T 4.4552 7.7945 105.3745 60.6546 70.8645 173.2464 17 L 4.6603 7.7541 124.5991 53.0013 43.6371 174.9607 18 K 5.0966 8.9335 124.2286 54.9688 37.0694 175.5487 19 G 3.9119 7.0762 109.6376 44.6286 0.0000 172.4825 20 E 5.2039 8.2415 123.5049 55.1955 33.9630 174.3654 21 T 4.8481 8.6101 116.2002 61.0920 71.7875 172.0224 22 T 5.5346 8.3254 112.0988 60.6758 72.1774 172.8063 23 T 4.7455 9.1254 115.6865 60.8185 71.4789 172.1859 24 K 5.2912 8.5005 124.1578 54.8643 34.4841 175.3967 25 A 4.6598 8.8891 124.3410 51.0232 22.6073 177.7881 26 V 3.8554 8.5406 112.6820 63.9381 32.1761 176.5936 27 D 4.7983 7.5533 117.8230 51.1154 43.2952 175.8752 28 A 3.3803 8.4746 121.2613 54.8335 18.2869 179.4695 29 E 3.7606 7.9584 117.5964 59.6144 29.7774 179.0619 30 T 3.6862 8.3099 115.7798 66.4199 68.4351 176.5230 31 A 3.4193 7.2749 122.2187 54.8203 18.1799 179.1726 32 E 2.9774 7.9928 118.1057 59.1475 29.6514 179.2510 33 K 3.7544 7.7215 118.1620 59.2456 32.0503 179.1982 34 A 3.8925 7.5667 120.9269 55.2347 18.2047 179.7898 35 F 4.6104 7.9097 116.4311 60.6721 38.9316 178.2043 36 K 3.9769 8.2914 118.7184 59.2579 31.6829 179.2355 37 Q 3.9447 8.1919 119.9783 59.2394 28.8842 177.4113 38 Y 4.1594 8.3429 120.4167 60.8363 38.7316 178.1468 39 A 3.9467 8.6224 121.6388 55.2027 18.6052 179.0702 40 N 4.2479 8.4216 115.6210 57.0848 38.8439 176.8235 41 D 4.4460 8.3785 119.3121 56.5439 40.8685 177.5229 42 N 4.7856 7.4050 114.5117 52.2154 38.8730 175.2624 43 G 3.8060 7.6658 107.9528 46.1303 0.0000 173.6790 44 V 4.1275 7.8381 119.7570 61.3314 32.1180 175.3100 45 D 4.7711 9.2541 126.8181 52.3627 41.9309 174.0619 46 G 4.1108 8.2993 114.5713 44.2220 0.0000 169.6732 47 V 4.7794 8.1384 111.3600 59.4631 34.6105 175.3635 48 W 5.5738 8.9641 122.2359 55.1982 32.4771 174.7782 49 T 4.9809 9.0415 112.5759 60.1673 71.7692 172.0367 50 Y 5.0055 8.4267 122.2837 55.9018 42.8100 173.1011 51 D 4.6446 7.9773 126.2088 52.2517 42.6764 176.2316 52 D 4.0726 8.5667 125.5851 56.0630 41.7220 177.2161 53 A 4.0805 8.3163 122.3113 54.4231 18.3626 178.0740 54 T 4.3337 7.5641 102.4055 60.4490 70.0765 174.0566 55 K 4.0366 7.8077 120.9775 58.3702 30.3313 174.6881 56 T 5.3678 7.5103 113.5414 61.9650 72.0897 173.8273 57 F 5.4659 9.7617 125.2750 56.6381 41.7524 175.0469 58 T 5.1688 9.1342 118.0920 61.7188 72.5899 173.2607 59 V 4.3346 8.3272 124.7873 59.8096 34.3924 174.3761 60 T 4.9366 8.4151 118.1040 60.2276 70.7774 173.4209 61 E 4.3164 8.5779 126.4288 56.4841 29.3265 175.9266 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 M 8.29 4.45 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 2 T 8.14 4.12 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 3 P 0.00 4.33 0.00 2.07 2.03 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 2.08 0.00 4 A 8.45 4.19 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 5 V 8.24 4.76 2.10 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 0.78 0.00 0.00 0.95 0.00 0.00 6 T 8.75 4.62 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 0.59 0.00 0.00 7 T 8.32 4.86 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 1.27 0.00 0.00 8 Y 9.27 5.04 0.00 3.16 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.21 5.28 0.00 1.93 1.74 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.51 7.81 10 L 8.61 4.94 0.00 0.27 0.65 0.79 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.69 4.57 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 0.86 0.00 0.00 0.91 0.00 0.00 12 I 8.77 4.57 1.86 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.54 0.93 0.00 0.00 13 N 8.86 5.29 0.00 2.51 2.68 0.00 0.00 6.40 7.17 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 14 G 8.33 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 15 K 9.59 4.27 0.00 1.76 1.87 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.36 7.81 16 T 7.79 4.46 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 17 L 7.75 4.66 0.00 1.68 1.51 0.95 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.93 5.10 0.00 1.71 1.61 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.31 1.40 7.81 19 G 7.08 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 20 E 8.24 5.20 0.00 1.79 1.77 0.00 0.00 0.00 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 2.27 0.00 21 T 8.61 4.85 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 0.69 0.00 0.00 22 T 8.33 5.53 4.45 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 23 T 9.13 4.75 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 0.38 0.00 0.00 24 K 8.50 5.29 0.00 1.67 1.72 0.00 1.84 0.00 0.00 1.73 0.00 0.00 2.73 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.44 7.81 25 A 8.89 4.66 1.17 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 0.00 0.00 26 V 8.54 3.86 2.10 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 0.77 0.00 0.00 0.93 0.00 0.00 27 D 7.55 4.80 0.00 2.91 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 28 A 8.47 3.38 1.09 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 0.00 0.00 29 E 7.96 3.76 0.00 1.96 2.01 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 2.27 2.31 0.00 30 T 8.31 3.69 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 1.10 0.00 0.00 31 A 7.27 3.42 0.58 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 0.00 0.00 0.00 0.00 0.00 0.00 32 E 7.99 2.98 0.00 1.94 1.86 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 1.92 1.99 0.00 33 K 7.72 3.75 0.00 1.85 1.71 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.46 7.81 34 A 7.57 3.89 1.05 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 35 F 7.91 4.61 0.00 2.81 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.29 3.98 0.00 1.60 1.64 0.00 1.18 0.00 0.00 1.06 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.35 0.90 7.81 37 Q 8.19 3.94 0.00 2.24 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.60 0.00 38 Y 8.34 4.16 0.00 3.20 3.35 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 39 A 8.62 3.95 1.73 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 0.00 0.00 40 N 8.42 4.25 0.00 2.88 2.97 0.00 0.00 7.27 8.02 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 41 D 8.38 4.45 0.00 2.75 2.69 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 42 N 7.40 4.79 0.00 2.37 2.62 0.00 0.00 7.04 8.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 7.67 3.81 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 0.00 0.00 0.00 44 V 7.84 4.13 2.19 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 0.72 0.00 0.00 0.87 0.00 0.00 45 D 9.25 4.77 0.00 2.63 2.55 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 0.00 46 G 8.30 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 47 V 8.14 4.78 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 0.89 0.00 0.00 0.94 0.00 0.00 48 W 8.96 5.57 0.00 3.19 3.29 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 0.00 49 T 9.04 4.98 4.30 0.00 0.00 0.00 0.00 0.00 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 50 Y 8.43 5.01 0.00 2.83 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.98 4.64 0.00 2.54 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 0.00 0.00 0.00 52 D 8.57 4.07 0.00 2.66 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 53 A 8.32 4.08 1.22 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 0.00 0.00 0.00 54 T 7.56 4.33 4.20 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 1.16 0.00 0.00 55 K 7.81 4.04 0.00 1.92 1.70 0.00 1.64 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.29 1.34 7.81 56 T 7.51 5.37 4.21 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 1.25 0.00 0.00 57 F 9.76 5.47 0.00 3.13 3.34 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 0.00 0.00 0.00 58 T 9.13 5.17 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 1.14 0.00 0.00 59 V 8.33 4.33 0.67 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 0.40 0.00 0.00 0.19 0.00 0.00 60 T 8.42 4.94 4.16 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 1.16 0.00 0.00 61 E 8.58 4.32 0.00 1.87 1.81 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 2.43 2.18 0.00