NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3279 8.3044 118.1964 54.2936 33.3106 174.6496 2 N 4.6690 8.0609 117.5128 51.4470 39.6962 172.1949 3 S 4.5085 8.4408 121.7810 57.3926 67.7520 174.0614 4 D 4.6400 8.5841 125.6835 53.7442 39.5595 176.4874 5 V 4.0585 8.0370 117.3459 61.8960 31.6360 177.6941 6 I 4.0632 7.8340 120.9061 64.2526 37.0128 178.1059 7 K 4.1649 8.8756 119.0726 59.5723 32.3288 179.4026 8 G 3.7977 8.1185 106.0308 47.2873 0.0000 175.8099 9 K 4.6847 7.7696 120.5875 55.2087 33.3360 178.8222 10 W 4.6044 8.3554 129.6989 60.1101 30.6662 177.6185 11 K 3.9348 8.1270 116.0611 57.7401 31.9874 177.4048 12 Q 4.2695 7.7630 117.7076 58.8306 29.9620 176.6891 13 L 4.2901 8.4342 119.7652 56.5873 41.6371 179.0052 14 T 3.4484 7.4480 111.0053 64.9861 68.3023 176.4094 15 G 3.5332 7.9013 108.2875 47.1338 0.0000 175.5950 16 K 4.1524 7.8734 120.1690 59.0307 32.1287 179.4710 17 I 3.1866 7.9987 120.8788 63.9800 36.8331 178.3030 18 K 4.0422 8.2861 120.8055 59.3003 31.7101 178.5759 19 E 3.9386 7.8503 119.2058 59.0205 29.6697 178.4194 20 R 4.0621 7.8906 117.9063 57.5788 30.6090 176.3614 21 W 4.8978 8.5878 122.5240 54.5498 30.0443 176.4500 22 G 3.7888 8.8403 113.6151 47.7632 0.0000 172.9850 23 D 4.3496 8.2059 118.2138 56.2049 41.5362 176.0669 24 L 4.1449 7.6099 119.9129 54.4881 42.3496 177.1319 25 T 4.1705 8.3288 120.8761 62.8339 69.9354 175.0331 26 D 4.3066 8.7538 125.2624 57.7445 41.1114 178.0901 27 D 4.5000 8.0677 117.5460 57.6187 40.8761 178.1642 28 D 4.5972 7.8897 118.1038 57.0984 41.0035 178.3953 29 L 4.6239 7.7839 118.8452 57.6733 42.3516 178.9870 30 Q 4.3060 8.5236 119.4074 55.8663 29.0054 175.7263 31 A 4.2379 8.3905 119.6347 52.3880 18.8102 177.7770 32 A 4.4443 7.4413 119.0418 51.4998 23.0044 177.9512 33 D 4.1403 7.4359 116.7731 56.2487 41.5170 178.0076 34 G 2.0000 6.6697 109.7569 45.1351 0.0000 173.6029 35 H 4.1939 7.4609 115.0050 54.6006 29.2546 175.5864 36 A 3.9662 9.7730 122.3546 55.8933 18.1432 180.0363 37 E 3.9581 8.0030 115.7026 59.1844 29.4683 178.5996 38 Y 4.0509 8.2463 120.3805 59.9408 38.8357 177.3244 39 L 3.9463 7.6591 119.6765 57.7253 41.7554 179.2300 40 V 3.5679 7.6272 117.9846 65.9870 31.3045 178.1930 41 G 3.4350 7.6258 104.7916 47.8775 0.0000 175.8506 42 K 3.7685 7.7425 121.0128 58.7723 31.9417 179.5623 43 L 3.7374 8.1144 119.8131 57.5585 41.4183 179.5594 44 Q 3.8250 8.0767 118.4145 58.5405 28.4316 178.1873 45 E 3.8898 7.8762 119.6694 59.6419 29.7993 178.7110 46 R 3.8488 8.0226 117.1527 59.7058 30.2742 177.5374 47 Y 3.8928 7.1948 117.3427 56.6367 39.1448 176.3756 48 G 4.1302 8.1653 111.6331 46.3802 0.0000 171.7968 49 W 5.1087 7.8285 119.2838 55.4566 32.3733 176.9830 50 S 4.6081 8.4215 113.3128 58.1479 65.0065 174.7184 51 K 3.9077 8.5977 124.3184 59.7619 31.9558 178.7402 52 E 3.8952 8.1583 119.1799 59.2599 29.6901 178.6701 53 R 3.8046 7.6638 117.2609 59.1395 30.0314 178.3400 54 A 4.3117 8.4340 120.9832 55.3208 18.3648 179.1875 55 E 3.9544 8.7754 117.5592 59.8167 29.5996 179.4892 56 Q 4.0006 8.0894 119.2372 59.4431 29.1268 178.3175 57 E 4.2698 8.2192 119.0943 59.2623 29.5136 179.4799 58 V 4.1055 8.4423 118.8904 66.3599 31.7193 178.3845 59 R 4.1239 8.6364 117.8840 58.7029 29.6209 178.5352 60 D 4.3646 8.0319 117.7843 57.4026 41.7132 177.7195 61 F 4.2504 8.5006 121.1941 61.3973 39.4920 177.2963 62 S 4.1433 8.4700 114.9746 61.4432 62.3508 176.0961 63 D 4.3553 7.9249 120.1540 56.8235 41.0553 177.4980 64 R 4.0152 7.4170 116.8104 57.2751 30.2411 176.0158 65 L 4.0715 7.1955 122.4560 55.4091 41.7702 176.1943 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 8.30 4.33 0.00 2.15 2.28 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 2 N 8.06 4.67 0.00 2.77 2.77 0.00 0.00 6.80 6.78 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 3 S 8.44 4.51 0.00 3.87 3.73 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 4 D 8.58 4.64 0.00 2.68 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 5 V 8.04 4.06 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 1.13 0.00 0.00 0.99 0.00 0.00 6 I 7.83 4.06 2.19 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.15 1.43 0.00 0.00 7 K 8.88 4.16 0.00 1.84 1.99 0.00 1.59 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.86 1.49 7.81 8 G 8.12 3.80 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 0.00 0.00 0.00 9 K 7.77 4.68 0.00 1.84 1.88 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.61 7.81 10 W 8.36 4.60 0.00 3.60 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 11 K 8.13 3.93 0.00 1.82 1.83 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.39 7.81 12 Q 7.76 4.27 0.00 2.09 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.89 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 13 L 8.43 4.29 0.00 1.77 2.02 1.28 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 14 T 7.45 3.45 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 0.46 0.00 0.00 15 G 7.90 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.87 4.15 0.00 2.24 2.14 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.57 7.81 17 I 8.00 3.19 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.60 1.13 0.00 0.00 18 K 8.29 4.04 0.00 1.78 1.94 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.61 7.81 19 E 7.85 3.94 0.00 2.10 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 2.31 2.45 0.00 20 R 7.89 4.06 0.00 1.67 1.30 0.00 3.15 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.50 0.00 21 W 8.59 4.90 0.00 3.56 3.19 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 0.00 0.00 0.00 0.00 22 G 8.84 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.21 4.35 0.00 2.55 2.36 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 24 L 7.61 4.14 0.00 2.01 1.65 1.02 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.33 4.17 4.41 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 1.27 0.00 0.00 26 D 8.75 4.31 0.00 2.75 2.65 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 0.00 0.00 0.00 0.00 27 D 8.07 4.50 0.00 2.68 2.74 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 0.00 0.00 0.00 0.00 28 D 7.89 4.60 0.00 2.85 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 29 L 7.78 4.62 0.00 1.69 1.50 0.86 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 8.52 4.31 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.26 0.00 31 A 8.39 4.24 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 0.00 0.00 0.00 0.00 0.00 32 A 7.44 4.44 1.04 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 0.00 0.00 33 D 7.44 4.14 0.00 1.81 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 34 G 6.67 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.46 4.19 0.00 3.51 3.36 0.00 5.50 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 9.77 3.97 1.45 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 0.00 0.00 0.00 37 E 8.00 3.96 0.00 1.84 1.99 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 2.43 2.36 0.00 38 Y 8.25 4.05 0.00 2.68 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.66 3.95 0.00 2.00 1.69 1.10 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 40 V 7.63 3.57 2.18 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 1.01 0.00 0.00 0.99 0.00 0.00 41 G 7.63 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.74 3.77 0.00 1.67 1.68 0.00 1.54 0.00 0.00 1.49 0.00 0.00 2.66 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.80 1.40 7.81 43 L 8.11 3.74 0.00 1.45 0.91 0.56 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 8.08 3.82 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 7.14 0.00 0.00 0.00 0.00 0.00 2.57 2.44 0.00 45 E 7.88 3.89 0.00 1.92 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 2.21 2.25 0.00 46 R 8.02 3.85 0.00 1.44 1.52 0.00 3.19 0.00 0.00 3.07 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.55 0.00 47 Y 7.19 3.89 0.00 1.88 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 0.00 0.00 0.00 0.00 48 G 8.17 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 W 7.83 5.11 0.00 3.38 2.93 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 50 S 8.42 4.61 0.00 4.07 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 51 K 8.60 3.91 0.00 1.85 1.87 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.51 7.81 52 E 8.16 3.90 0.00 2.08 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 2.37 2.37 0.00 53 R 7.66 3.80 0.00 1.89 2.10 0.00 2.83 0.00 0.00 2.80 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.24 0.00 54 A 8.43 4.31 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.78 3.95 0.00 2.23 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 0.00 2.37 2.61 0.00 56 Q 8.09 4.00 0.00 2.28 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.83 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 57 E 8.22 4.27 0.00 2.44 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 2.47 2.16 0.00 58 V 8.44 4.11 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 1.09 0.00 0.00 59 R 8.64 4.12 0.00 1.96 2.03 0.00 3.23 0.00 0.00 3.14 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.91 0.00 60 D 8.03 4.36 0.00 2.84 3.04 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 61 F 8.50 4.25 0.00 3.03 3.41 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 62 S 8.47 4.14 0.00 4.15 3.95 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 0.00 0.00 0.00 63 D 7.92 4.36 0.00 2.78 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 64 R 7.42 4.02 0.00 1.74 1.74 0.00 3.22 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.56 0.00 65 L 7.20 4.07 0.00 1.73 1.44 0.89 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00