NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 Y 4.6221 8.0033 121.7001 57.7586 39.4610 174.6325 12 Q 4.0232 8.1663 127.2881 56.4752 29.6412 174.2623 13 T 4.0876 6.9584 111.8910 59.8144 71.7340 172.8392 14 A 3.8325 8.2176 127.2589 51.4802 18.5354 176.0278 15 P 4.5657 0.0000 0.0000 61.6761 32.4299 175.9179 16 F 4.0428 8.8115 120.8531 58.9188 39.6277 173.7990 17 D 4.7659 7.7833 126.4997 51.9614 42.7357 176.5833 18 S 4.1000 8.5532 121.7803 60.9598 63.0780 175.8264 19 R 3.8080 7.8152 119.5288 58.2773 30.0082 177.0291 20 F 4.8547 7.8024 116.3222 55.2016 39.4899 172.3389 21 P 4.7975 0.0000 0.0000 62.5457 32.1172 176.1297 22 N 4.9653 7.7092 117.2606 51.6356 40.6872 175.5948 23 Q 3.9708 8.6256 117.5496 58.4795 28.7809 176.5241 24 N 4.6969 7.5567 116.7204 52.9343 38.5855 174.6536 25 Q 4.6204 8.4596 123.8215 55.9526 29.4382 177.2244 26 T 4.1718 8.0344 119.3981 67.1408 68.5079 176.3145 27 R 4.1722 8.0718 119.8790 59.0077 30.1617 177.6836 28 N 3.1400 7.5312 116.5886 56.3109 38.9102 176.9014 29 C 4.3300 8.1325 119.5912 59.5905 44.6719 175.2090 30 W 4.2735 8.6052 129.7680 60.6375 30.2779 177.5071 31 Q 3.7660 8.8155 119.6593 59.4753 28.4432 178.2320 32 N 4.5365 8.0941 117.0230 56.3597 38.6466 176.9077 33 Y 3.5354 8.0465 121.0056 60.3154 38.8881 177.8697 34 L 3.5780 7.6855 119.9544 57.7451 41.7223 178.9000 35 D 4.0067 8.2767 119.0377 57.3261 40.7088 178.7780 36 F 4.1120 8.1311 120.8423 61.9431 39.5801 176.9567 37 H 4.0169 7.6942 114.3879 57.8189 28.3735 178.1837 38 R 3.8329 7.6456 120.5199 59.1791 30.0567 177.4848 39 C 3.9949 8.2060 118.4864 59.9937 43.5661 175.2730 40 E 3.4240 8.2063 120.7616 58.6612 28.8536 178.8738 41 K 3.8430 7.2596 118.3922 59.1051 32.4915 178.4164 42 A 3.9271 7.8649 120.9629 55.3924 18.2933 179.6155 43 M 3.9114 8.1125 117.0519 59.0145 31.9896 179.1765 44 T 3.9712 7.6896 113.7231 66.5141 68.7957 175.6761 45 A 4.2045 8.3413 124.4162 54.3203 18.1461 178.7964 46 K 4.0078 8.2721 114.8708 55.8926 31.9669 177.7206 47 G 3.8951 7.9137 108.2853 45.9986 0.0000 173.4053 48 G 4.1265 7.9265 110.5314 44.1147 0.0000 170.3094 49 D 4.4377 8.4154 120.3770 53.8529 41.9232 176.7766 50 V 3.7951 8.3533 125.3245 64.6293 31.5997 177.3349 51 S 4.4335 8.1229 113.4296 60.4145 63.2148 176.3694 52 V 3.7983 7.6776 114.2740 64.3243 31.2718 178.2086 53 C 4.8538 8.3936 116.2003 57.6666 39.7168 174.8772 54 E 4.0218 7.8600 121.6444 59.3315 29.1149 178.1898 55 W 4.2646 8.3507 127.5486 61.1421 30.5829 177.2928 56 Y 4.2520 7.7068 115.5056 61.1344 37.3167 178.6812 57 R 3.4685 8.1157 119.1965 59.1088 30.0514 178.6917 58 R 3.2850 7.4232 117.7704 58.9417 29.9815 178.6703 59 V 3.6360 7.3002 119.5009 65.6937 31.3537 177.7220 60 Y 4.3290 8.1775 117.0176 60.0868 37.5013 178.4593 61 K 3.6852 7.2931 119.6652 59.0798 32.0983 179.2802 62 S 4.2213 7.6065 114.5682 61.5900 62.9151 176.3715 63 L 4.1530 7.7370 119.9859 56.5740 41.9777 177.2738 64 C 4.3559 8.0266 116.3123 55.6567 37.5048 172.5993 65 P 4.2403 0.0000 0.0000 62.0435 32.7721 177.3970 66 I 3.6634 8.2643 122.9514 64.8608 37.0886 178.8306 67 S 4.1410 8.0579 114.1923 61.2899 62.6122 176.5263 68 W 3.4933 7.9998 121.9964 59.2005 28.8102 178.5202 69 V 3.6254 7.6089 118.1393 66.0248 30.9857 177.8522 70 S 4.1442 8.6860 113.2090 61.9098 62.2314 176.2640 71 T 3.8928 8.1952 118.6477 66.5672 68.1108 176.7419 72 W 4.7043 8.2884 120.8871 59.7211 29.0511 178.4038 73 D 4.4377 8.9383 119.3232 57.6273 40.2652 178.1974 74 D 4.4899 8.4408 119.6212 57.9961 40.8340 179.6600 75 R 4.1335 8.3091 118.0793 59.0513 30.1966 179.2620 76 R 3.9593 8.3746 117.9848 59.3485 29.8908 178.9995 77 A 4.0971 7.9726 118.8496 54.4616 18.4146 178.4683 78 E 4.2835 7.9147 116.3095 56.5368 29.9390 177.1664 79 G 3.9806 7.9354 106.0703 46.0413 0.0000 173.6998 80 T 4.5003 8.1100 107.2968 60.7800 69.0101 173.7950 81 F 4.3798 8.2718 125.0297 57.9029 39.4513 173.3864 82 P 4.2671 0.0000 0.0000 65.0168 31.6449 177.3173 83 G 3.6391 6.3667 107.2589 44.8228 0.0000 172.8706 84 K 4.2052 8.5134 123.5877 55.6888 32.5205 176.9439 85 I 4.0623 8.2990 126.2653 61.4784 37.6280 175.4268 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 11 Y 8.00 4.62 0.00 3.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.17 4.02 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.63 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 13 T 6.96 4.09 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 1.10 0.00 0.00 14 A 8.22 3.83 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 15 P 0.00 4.57 0.00 2.37 2.21 0.00 3.93 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 16 F 8.81 4.04 0.00 3.07 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.78 4.77 0.00 2.77 2.64 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 18 S 8.55 4.10 0.00 4.13 4.14 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 19 R 7.82 3.81 0.00 1.31 1.07 0.00 3.02 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 20 F 7.80 4.85 0.00 2.91 2.96 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 0.00 0.00 0.00 0.00 21 P 0.00 4.80 0.00 2.37 2.39 0.00 3.80 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 22 N 7.71 4.97 0.00 2.86 2.86 0.00 0.00 7.08 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 8.63 3.97 0.00 2.09 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.97 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 24 N 7.56 4.70 0.00 2.78 2.84 0.00 0.00 7.06 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 25 Q 8.46 4.62 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.63 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 26 T 8.03 4.17 4.40 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 0.00 0.00 1.52 0.00 0.00 27 R 8.07 4.17 0.00 2.13 2.21 0.00 3.47 0.00 0.00 3.49 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.14 0.00 28 N 7.53 3.14 0.00 2.28 2.67 0.00 0.00 6.85 7.65 0.00 0.00 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 C 8.13 4.33 0.00 3.17 3.48 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 30 W 8.61 4.27 0.00 3.56 3.36 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 31 Q 8.82 3.77 0.00 2.44 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.65 2.74 0.00 32 N 8.09 4.54 0.00 3.19 3.12 0.00 0.00 6.72 8.72 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 33 Y 8.05 3.54 0.00 3.05 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 7.69 3.58 0.00 1.54 1.35 0.18 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.28 4.01 0.00 2.30 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.13 4.11 0.00 3.25 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 37 H 7.69 4.02 0.00 2.88 3.04 0.00 5.86 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 7.65 3.83 0.00 1.89 1.80 0.00 3.02 0.00 0.00 2.96 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.54 0.00 39 C 8.21 3.99 0.00 2.85 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 40 E 8.21 3.42 0.00 1.20 1.46 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 2.08 1.96 0.00 41 K 7.26 3.84 0.00 1.88 1.89 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.38 7.81 42 A 7.86 3.93 1.32 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 0.00 0.00 43 M 8.11 3.91 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.84 0.00 44 T 7.69 3.97 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 1.18 0.00 0.00 45 A 8.34 4.20 1.30 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 0.00 0.00 0.00 46 K 8.27 4.01 0.00 1.77 1.82 0.00 1.86 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.51 7.81 47 G 7.91 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 0.00 0.00 0.00 48 G 7.93 4.13 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 0.00 0.00 0.00 49 D 8.42 4.44 0.00 2.65 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 8.35 3.80 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 0.96 0.00 0.00 0.88 0.00 0.00 51 S 8.12 4.43 0.00 4.08 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 0.00 52 V 7.68 3.80 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 0.74 0.00 0.00 0.98 0.00 0.00 53 C 8.39 4.85 0.00 3.12 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 54 E 7.86 4.02 0.00 2.26 2.12 0.00 0.00 0.00 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 2.37 0.00 55 W 8.35 4.26 0.00 3.36 2.80 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 0.00 0.00 0.00 56 Y 7.71 4.25 0.00 3.65 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 57 R 8.12 3.47 0.00 1.01 1.62 0.00 2.86 0.00 0.00 2.94 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.50 0.00 58 R 7.42 3.28 0.00 1.17 0.66 0.00 2.89 0.00 0.00 2.86 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.13 0.00 59 V 7.30 3.64 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 1.29 0.00 0.00 0.32 0.00 0.00 60 Y 8.18 4.33 0.00 3.41 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 K 7.29 3.69 0.00 1.63 1.64 0.00 1.44 0.00 0.00 1.51 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.99 0.94 7.81 62 S 7.61 4.22 0.00 4.01 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 63 L 7.74 4.15 0.00 1.67 1.71 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 64 C 8.03 4.36 0.00 3.26 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 65 P 0.00 4.24 0.00 1.38 1.54 0.00 2.20 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.42 0.00 66 I 8.26 3.66 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.73 0.91 0.00 0.00 67 S 8.06 4.14 0.00 4.07 4.14 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 68 W 8.00 3.49 0.00 3.02 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 0.00 0.00 0.00 69 V 7.61 3.63 2.34 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 1.36 0.00 0.00 1.31 0.00 0.00 70 S 8.69 4.14 0.00 3.92 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.20 3.89 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 1.21 0.00 0.00 72 W 8.29 4.70 0.00 3.38 2.98 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 73 D 8.94 4.44 0.00 3.02 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.44 4.49 0.00 2.93 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 75 R 8.31 4.13 0.00 2.23 2.22 0.00 3.37 0.00 0.00 3.29 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.95 0.00 76 R 8.37 3.96 0.00 1.93 1.87 0.00 2.69 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.38 0.00 77 A 7.97 4.10 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 78 E 7.91 4.28 0.00 1.98 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 0.00 2.32 2.35 0.00 79 G 7.94 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 0.00 0.00 0.00 80 T 8.11 4.50 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 1.25 0.00 0.00 81 F 8.27 4.38 0.00 3.04 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 P 0.00 4.27 0.00 2.01 2.01 0.00 3.16 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.71 0.00 83 G 6.37 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 84 K 8.51 4.21 0.00 1.74 1.74 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.46 7.81 85 I 8.30 4.06 1.86 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.92 0.77 0.00 0.00