NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4469 0.0000 0.0000 62.3485 33.6166 175.1141 2 I 4.6963 8.2941 123.3597 59.1763 39.9435 172.9838 3 A 4.5660 9.1243 130.8567 50.4206 21.2219 174.9063 4 Q 4.8857 8.6654 124.2849 54.5622 30.8104 174.5372 5 I 4.4006 8.8518 128.1460 59.9068 39.4859 174.4016 6 H 5.2067 8.7649 125.2212 54.8276 29.6465 174.8711 7 I 4.6429 8.5167 116.3184 58.6132 41.2488 175.0936 8 R 4.5308 8.4965 122.8904 56.2088 30.5335 176.5407 9 E 4.1587 8.6519 121.4338 56.5173 30.5688 175.4700 10 G 3.6054 7.0060 110.3660 45.4376 0.0000 173.9538 11 R 4.7324 7.6114 118.1993 53.2426 33.5929 176.4361 12 S 4.3260 8.2802 115.0713 58.2013 65.1138 174.8137 13 D 4.3570 8.7266 124.1121 57.8759 40.6246 178.9075 14 E 3.9127 8.2734 118.2534 59.8269 29.4389 179.3227 15 Q 3.9655 7.9481 118.6782 59.1700 29.0508 178.3443 16 K 3.9601 8.0352 119.4898 59.3587 32.0167 178.9648 17 E 3.9405 8.2500 119.7539 59.2321 29.5131 179.0620 18 T 3.8374 7.8554 116.1031 66.3114 68.4471 176.1021 19 L 3.8813 8.0024 122.3709 58.4211 42.0731 178.7949 20 I 3.6602 7.8779 119.5821 64.5798 37.1374 178.2924 21 R 3.8620 7.9153 118.9297 59.5314 29.9953 178.2635 22 E 3.9538 8.6723 118.6350 59.4838 29.4017 179.6940 23 V 3.5776 8.0839 118.4066 66.0398 31.6062 178.0345 24 S 4.1060 8.0924 114.9444 61.8142 62.6883 176.4932 25 E 3.9132 8.3592 121.5359 59.1071 29.3719 178.6563 26 A 4.0114 8.1455 120.8977 55.1955 18.3462 179.5346 27 I 3.6157 8.0921 118.6454 64.5328 37.3517 178.3321 28 S 4.0581 8.2017 113.7701 61.5804 62.0618 176.1594 29 R 3.8643 8.3747 121.7098 59.7213 29.6830 178.6895 30 S 4.2180 8.1146 112.4990 60.4794 63.2576 175.1995 31 L 4.3548 8.0368 120.6318 53.3839 42.2444 175.4690 32 D 4.3288 7.7699 117.3736 55.3239 40.1182 172.8128 33 A 4.8126 7.4986 118.4307 49.1073 21.7947 175.7532 34 P 4.3887 0.0000 0.0000 62.2884 32.2792 177.7902 35 L 3.9874 8.5924 123.8016 58.4554 42.3071 179.1406 36 T 3.8627 8.0058 114.3410 66.4022 68.3865 174.9398 37 S 4.3173 7.6009 113.4749 59.1266 63.6701 174.0712 38 V 4.1506 7.6511 122.7685 62.4242 31.8497 175.2842 39 R 4.7505 8.9827 127.2041 54.2970 33.2476 174.9846 40 V 4.8085 8.3864 122.2649 61.1125 34.5360 174.3703 41 I 4.4906 8.9849 128.6150 59.6082 39.6220 174.6249 42 I 4.6210 8.3491 128.0208 60.5575 38.7650 175.3899 43 T 4.5520 8.8154 122.8584 61.7997 71.4839 173.0326 44 E 4.7952 8.8729 126.1102 55.8180 31.3465 175.7893 45 M 4.6413 9.0850 123.3295 53.2445 34.0516 175.9882 46 A 4.3749 8.6293 126.8924 51.8958 19.1606 178.0651 47 K 4.1853 8.7155 118.6203 58.2216 32.1838 178.2058 48 G 4.1823 7.8883 106.3392 45.4565 0.0000 172.8722 49 H 4.9676 8.7121 114.5408 54.9934 29.7481 173.9160 50 F 5.0956 8.1234 122.3749 56.2891 41.9669 173.4191 51 G 4.2172 8.4591 115.9715 43.4628 0.0000 171.8901 52 I 4.0925 7.9541 123.3895 59.9876 39.0863 176.1595 53 G 3.6729 9.5136 113.7970 46.4319 0.0000 174.3625 54 G 3.9118 8.4699 108.1636 44.7767 0.0000 173.9379 55 E 4.6466 7.3113 118.7181 53.9490 31.7898 175.5840 56 L 4.3852 8.0763 120.0984 54.8019 42.5175 178.5975 57 A 3.8614 8.5752 123.9407 55.2815 18.0323 180.2901 58 S 3.9089 8.1686 112.4530 62.0067 62.8990 176.6003 59 K 4.2023 7.6457 119.3232 58.1950 32.4478 178.7473 60 V 4.0152 7.6636 110.8377 60.3630 32.3060 178.4065 61 R 3.9427 8.7840 116.5599 56.7646 30.7065 176.0104 62 G 3.8083 7.8461 110.3236 46.6761 0.0000 172.8893 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 P 0.00 4.45 0.00 2.08 2.03 0.00 3.61 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 2 I 8.29 4.70 1.86 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 1.27 0.72 0.90 0.00 0.00 3 A 9.12 4.57 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 4 Q 8.67 4.89 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.69 0.00 0.00 0.00 0.00 0.00 2.10 2.27 0.00 5 I 8.85 4.40 1.83 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 1.20 0.54 0.88 0.00 0.00 6 H 8.76 5.21 0.00 2.90 3.06 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.52 4.64 1.82 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 1.18 0.91 0.86 0.00 0.00 8 R 8.50 4.53 0.00 1.73 1.94 0.00 3.33 0.00 0.00 3.61 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 9 E 8.65 4.16 0.00 1.97 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 2.31 2.27 0.00 10 G 7.01 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.61 4.73 0.00 1.76 1.89 0.00 3.21 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.56 0.00 12 S 8.28 4.33 0.00 4.24 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 13 D 8.73 4.36 0.00 2.73 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 14 E 8.27 3.91 0.00 2.04 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 2.41 2.45 0.00 15 Q 7.95 3.97 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 16 K 8.04 3.96 0.00 1.98 1.83 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.43 7.81 17 E 8.25 3.94 0.00 2.18 2.13 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 2.30 2.34 0.00 18 T 7.86 3.84 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 1.21 0.00 0.00 19 L 8.00 3.88 0.00 1.74 1.90 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.88 3.66 1.99 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 1.39 0.85 0.90 0.00 0.00 21 R 7.92 3.86 0.00 1.89 2.05 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 22 E 8.67 3.95 0.00 1.96 1.98 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 2.50 2.46 0.00 23 V 8.08 3.58 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 1.11 0.00 0.00 0.96 0.00 0.00 24 S 8.09 4.11 0.00 4.16 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.36 3.91 0.00 2.22 1.94 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 2.30 2.32 0.00 26 A 8.15 4.01 1.38 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 0.00 0.00 27 I 8.09 3.62 2.00 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 1.40 0.78 0.91 0.00 0.00 28 S 8.20 4.06 0.00 3.88 4.01 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 29 R 8.37 3.86 0.00 1.94 1.97 0.00 3.14 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 30 S 8.11 4.22 0.00 4.07 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 0.00 31 L 8.04 4.35 0.00 1.62 1.74 0.92 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 32 D 7.77 4.33 0.00 2.71 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 33 A 7.50 4.81 1.24 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 0.00 0.00 0.00 34 P 0.00 4.39 0.00 2.19 1.98 0.00 3.60 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 2.07 0.00 35 L 8.59 3.99 0.00 1.67 1.66 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.01 3.86 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 37 S 7.60 4.32 0.00 3.97 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 0.00 38 V 7.65 4.15 2.15 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 0.76 0.00 0.00 0.96 0.00 0.00 39 R 8.98 4.75 0.00 1.75 1.76 0.00 3.11 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 40 V 8.39 4.81 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 0.84 0.00 0.00 0.92 0.00 0.00 41 I 8.98 4.49 1.83 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 1.21 0.55 0.87 0.00 0.00 42 I 8.35 4.62 1.84 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 1.31 0.48 0.87 0.00 0.00 43 T 8.82 4.55 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 1.20 0.00 0.00 44 E 8.87 4.80 0.00 1.84 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 2.26 2.31 0.00 45 M 9.09 4.64 0.00 1.91 1.88 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.43 0.00 46 A 8.63 4.37 1.07 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 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.72 4.19 0.00 1.75 1.89 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.41 7.81 48 G 7.89 4.18 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 0.00 0.00 0.00 49 H 8.71 4.97 0.00 3.27 3.33 0.00 5.62 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 50 F 8.12 5.10 0.00 2.95 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.46 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 0.00 0.00 0.00 0.00 52 I 7.95 4.09 1.67 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.14 0.83 0.00 0.00 53 G 9.51 3.67 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 0.00 0.00 0.00 54 G 8.47 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 55 E 7.31 4.65 0.00 1.96 1.80 0.00 0.00 0.00 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 2.21 0.00 56 L 8.08 4.39 0.00 1.68 1.57 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.58 3.86 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 58 S 8.17 3.91 0.00 3.85 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 59 K 7.65 4.20 0.00 1.83 1.84 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.46 7.81 60 V 7.66 4.02 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 0.92 0.00 0.00 0.92 0.00 0.00 61 R 8.78 3.94 0.00 1.88 2.03 0.00 3.40 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 62 G 7.85 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