NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.1805 8.2649 123.5823 52.5410 19.0693 176.4112 3 K 3.3736 8.3995 124.2136 60.0155 28.9450 174.9639 4 E 3.5961 7.9714 111.9857 56.9431 28.3213 173.8589 5 P 4.7403 0.0000 0.0000 62.6329 31.8628 178.8559 6 C 4.6016 8.4547 106.1756 57.9512 27.3629 172.5455 7 V 4.5575 7.6303 124.0954 62.7956 36.3122 177.8858 8 E 4.0002 8.2928 120.1105 58.9737 29.0046 179.2376 9 S 4.2403 8.0241 114.1530 61.3562 63.0707 176.3756 10 L 4.0941 7.8126 122.5545 57.1491 41.2083 179.6503 11 V 3.7246 7.5605 117.7488 66.0742 31.3957 178.3053 12 S 4.2701 8.0809 113.5210 61.3299 62.8658 176.3494 13 Q 3.9810 7.8601 121.5999 59.2747 28.0598 178.3793 14 Y 4.2876 7.8000 118.7654 60.1016 37.9568 178.2640 15 F 4.3136 8.2555 122.0120 61.3541 39.4945 177.1668 16 Q 3.8139 8.0491 117.7417 58.8374 28.2050 178.4679 17 T 4.1754 7.5899 117.9195 65.9459 68.0017 176.5173 18 V 2.9196 7.1136 120.6397 65.5243 31.3518 178.2832 19 T 3.7996 6.9170 112.8831 66.3727 66.6775 176.3110 20 D 4.2608 7.6955 121.2745 57.6827 40.7366 178.3599 21 Y 4.6276 7.0982 118.7407 58.9708 38.1990 178.1495 22 G 3.7006 7.2592 106.9584 47.4495 0.0000 175.9881 23 K 4.0195 7.8249 120.6998 59.5281 31.6345 179.0749 24 D 4.6780 7.5514 118.9814 56.8210 40.4529 178.9143 25 L 4.1310 7.6983 118.1907 57.9874 41.7994 179.3732 26 M 4.1134 8.2256 118.5894 58.2091 31.3235 178.6666 27 E 4.0400 8.3052 119.0801 59.1409 29.4155 179.0736 28 K 4.3184 7.6112 118.1879 57.7360 32.2278 178.8510 29 V 3.8799 7.5107 117.7269 64.9856 32.0435 177.1820 30 K 4.3951 7.9561 116.9459 57.7816 32.0260 179.2243 31 S 4.1227 7.9113 115.1146 60.9634 62.7791 174.5832 32 P 4.2648 0.0000 0.0000 65.2794 31.0439 178.0014 33 E 4.1982 7.6072 116.5039 58.4893 29.8440 177.7447 34 L 4.5529 7.9165 119.9120 54.1055 40.7540 174.8933 35 Q 4.3090 7.8816 121.3149 55.7811 31.8177 174.1126 36 A 4.2869 8.2242 119.5076 53.6424 18.8147 178.1691 37 E 3.9694 8.5529 117.3265 56.6042 28.9078 174.2267 38 A 4.5841 7.6938 117.4600 53.6353 21.6317 178.6699 39 K 4.1577 8.6472 116.7401 59.4434 32.2447 179.0739 40 S 4.3107 8.2511 114.3177 61.8078 62.6381 175.9256 41 Y 4.1232 7.9173 122.0932 60.4738 37.4126 177.4286 42 F 4.2650 8.3013 121.1438 60.9010 39.3853 176.9304 43 E 3.7633 8.3687 118.4284 59.3041 29.3400 179.2925 44 K 4.1871 8.0855 118.3670 58.5436 32.2707 179.3358 45 S 4.0234 7.6669 114.9262 61.4165 62.9700 176.8448 46 K 3.9194 7.2315 122.4307 58.6129 31.2444 178.3318 47 E 4.2754 7.6901 116.8863 57.0430 28.9670 177.9206 48 Q 4.4821 7.8605 118.7859 56.2912 30.3477 177.8859 49 L 4.2492 7.7410 117.5354 57.5642 41.7143 179.3877 50 T 3.9199 7.7547 115.5290 66.2054 68.6038 175.0399 51 P 4.2528 0.0000 0.0000 65.5347 31.1312 178.6030 52 L 4.0599 7.2628 117.8602 58.5814 40.0254 179.2400 53 I 3.9295 7.1194 121.0445 64.0648 37.2574 177.8531 54 K 4.2142 8.0027 117.5281 57.5531 31.4566 178.9959 55 K 3.9822 7.9119 120.5847 59.1044 32.0330 178.1878 56 A 4.4474 7.2594 121.3554 53.6106 17.8590 179.7868 57 G 3.4361 7.9051 105.1233 47.9094 0.0000 175.3890 58 T 4.0411 7.3348 111.8316 63.2041 67.5611 175.2203 59 E 3.7659 7.5876 119.2593 58.7732 30.2608 177.7600 60 L 4.0731 8.2524 118.6419 58.0731 41.7634 179.8197 61 V 3.5301 7.0060 116.8927 66.1360 31.5884 177.7819 62 N 4.3959 7.7101 115.4306 56.4385 38.7138 177.3930 63 F 4.4359 7.6040 119.0541 60.5673 38.8638 177.8694 64 L 4.0035 8.1366 118.7977 57.4409 41.3023 179.6291 65 S 4.0196 7.5598 112.0406 61.6775 62.3335 175.8835 66 Y 4.3143 7.7403 119.9880 60.2970 37.4015 178.1731 67 F 4.6581 7.6517 118.0500 60.4531 39.2467 177.3447 68 V 3.9163 7.7986 118.0807 65.4542 31.4826 177.9515 69 E 3.9985 8.1540 118.4819 59.4342 29.1777 178.7404 70 L 4.5715 8.0662 115.0676 55.3558 41.5332 178.2447 71 G 4.0360 7.8392 106.5421 45.8928 0.0000 175.3215 72 T 4.2534 8.0498 117.3946 65.8562 68.6831 177.1313 73 Q 4.0346 7.8994 118.9565 58.7754 28.9018 177.1308 74 P 4.3647 0.0000 0.0000 65.1556 31.4111 176.1857 75 A 4.1837 7.6216 124.6901 52.3299 18.3864 176.8976 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 2 A 8.26 4.18 1.29 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 0.00 0.00 3 K 8.40 3.37 0.00 1.98 1.89 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.58 7.81 4 E 7.97 3.60 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 5 P 0.00 4.74 0.00 2.18 1.96 0.00 3.77 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 1.98 1.95 0.00 6 C 8.45 4.60 0.00 3.11 3.03 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 0.00 0.00 0.00 0.00 7 V 7.63 4.56 2.09 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 0.86 0.00 0.00 0.95 0.00 0.00 8 E 8.29 4.00 0.00 2.00 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 2.40 2.31 0.00 9 S 8.02 4.24 0.00 4.05 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 10 L 7.81 4.09 0.00 1.93 1.94 0.99 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.56 3.72 2.22 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 1.05 0.00 0.00 0.99 0.00 0.00 12 S 8.08 4.27 0.00 4.13 4.12 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 13 Q 7.86 3.98 0.00 2.15 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.63 0.00 14 Y 7.80 4.29 0.00 3.12 3.06 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 15 F 8.26 4.31 0.00 3.24 3.28 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 16 Q 8.05 3.81 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.56 0.00 0.00 0.00 0.00 0.00 2.42 2.69 0.00 17 T 7.59 4.18 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 18 V 7.11 2.92 1.89 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 1.02 0.00 0.00 1.01 0.00 0.00 19 T 6.92 3.80 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 1.08 0.00 0.00 20 D 7.70 4.26 0.00 2.77 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 21 Y 7.10 4.63 0.00 3.12 3.23 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 0.00 22 G 7.26 3.70 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 0.00 0.00 0.00 23 K 7.82 4.02 0.00 1.90 1.85 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.70 7.81 24 D 7.55 4.68 0.00 2.89 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 25 L 7.70 4.13 0.00 1.94 1.74 1.02 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 26 M 8.23 4.11 0.00 2.07 2.22 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.57 0.00 27 E 8.31 4.04 0.00 2.21 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 2.33 2.61 0.00 28 K 7.61 4.32 0.00 1.88 1.87 0.00 1.66 0.00 0.00 1.49 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.52 7.81 29 V 7.51 3.88 2.24 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 0.88 0.00 0.00 0.98 0.00 0.00 30 K 7.96 4.40 0.00 1.87 1.82 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.61 7.81 31 S 7.91 4.12 0.00 4.09 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 0.00 32 P 0.00 4.26 0.00 2.03 2.17 0.00 3.75 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.19 0.00 33 E 7.61 4.20 0.00 2.17 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 2.33 2.30 0.00 34 L 7.92 4.55 0.00 1.67 1.63 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 7.88 4.31 0.00 2.24 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.03 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 36 A 8.22 4.29 1.29 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 0.00 0.00 37 E 8.55 3.97 0.00 2.19 2.11 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 2.20 2.25 0.00 38 A 7.69 4.58 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 39 K 8.65 4.16 0.00 1.96 1.88 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.30 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.64 1.55 7.81 40 S 8.25 4.31 0.00 4.14 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 41 Y 7.92 4.12 0.00 3.07 3.25 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 42 F 8.30 4.27 0.00 3.10 3.25 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 43 E 8.37 3.76 0.00 2.06 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 2.36 2.63 0.00 44 K 8.09 4.19 0.00 1.75 1.83 0.00 1.70 0.00 0.00 1.62 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.41 7.81 45 S 7.67 4.02 0.00 3.76 3.59 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 46 K 7.23 3.92 0.00 1.92 1.73 0.00 1.27 0.00 0.00 1.40 0.00 0.00 2.52 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.16 1.16 7.81 47 E 7.69 4.28 0.00 2.05 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 2.27 2.47 0.00 48 Q 7.86 4.48 0.00 2.18 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.21 2.39 0.00 49 L 7.74 4.25 0.00 1.61 1.65 0.84 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.75 3.92 4.19 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 1.18 0.00 0.00 51 P 0.00 4.25 0.00 2.13 2.08 0.00 3.61 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.12 0.00 52 L 7.26 4.06 0.00 1.88 1.79 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.12 3.93 2.00 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 1.51 1.18 0.90 0.00 0.00 54 K 8.00 4.21 0.00 1.84 1.81 0.00 1.53 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.46 7.81 55 K 7.91 3.98 0.00 2.03 1.92 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.20 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.44 7.81 56 A 7.26 4.45 1.33 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 0.00 0.00 57 G 7.91 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 58 T 7.33 4.04 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 1.18 0.00 0.00 59 E 7.59 3.77 0.00 2.01 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 2.32 2.50 0.00 60 L 8.25 4.07 0.00 1.76 1.73 0.94 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.01 3.53 2.22 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 0.77 0.00 0.00 0.92 0.00 0.00 62 N 7.71 4.40 0.00 2.40 2.65 0.00 0.00 7.15 8.13 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 63 F 7.60 4.44 0.00 2.97 2.44 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 64 L 8.14 4.00 0.00 1.89 1.77 1.18 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.56 4.02 0.00 3.95 3.82 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 66 Y 7.74 4.31 0.00 3.13 3.01 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 67 F 7.65 4.66 0.00 3.28 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 68 V 7.80 3.92 2.23 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 1.05 0.00 0.00 1.08 0.00 0.00 69 E 8.15 4.00 0.00 2.26 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 2.24 2.48 0.00 70 L 8.07 4.57 0.00 1.83 1.77 1.19 0.82 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 71 G 7.84 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 0.00 0.00 0.00 72 T 8.05 4.25 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 1.22 0.00 0.00 73 Q 7.90 4.03 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.99 0.00 0.00 0.00 0.00 0.00 2.41 2.55 0.00 74 P 0.00 4.36 0.00 2.03 2.13 0.00 3.74 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 2.25 2.18 0.00 75 A 7.62 4.18 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