NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 N 4.6702 8.4249 119.2049 53.5064 39.0258 172.4204 11 V 4.1856 7.7369 115.8953 58.6375 33.6997 174.8141 12 Q 4.3030 9.1267 123.6619 55.2492 30.6925 176.5993 13 R 4.1470 8.2643 119.0456 55.3309 32.1244 176.0735 14 P 4.2003 0.0000 0.0000 66.2618 31.1941 179.0760 15 L 3.9678 7.8172 114.7774 57.2560 41.9873 178.6766 16 D 4.6153 8.0754 118.6941 56.9882 41.0690 178.3402 17 A 4.0502 8.4301 121.7546 54.8776 18.2420 179.3631 18 L 3.8672 8.1111 119.3151 58.1064 41.9842 179.3084 19 G 3.9941 8.0519 105.2130 47.8362 0.0000 175.2579 20 N 4.5096 8.0602 117.7219 55.8395 38.7695 176.5259 21 S 4.4986 8.1416 115.1329 57.5769 63.3130 174.0432 22 L 4.3088 7.2434 122.8908 56.4630 41.8133 176.7889 23 N 4.3341 9.4834 118.9382 54.0587 36.8156 173.9782 24 S 5.0517 7.9287 114.3999 55.7071 66.8725 171.6701 25 P 4.9269 0.0000 0.0000 63.1844 32.7615 175.6441 26 V 5.0817 9.2175 115.3805 60.0035 37.0698 173.9401 27 I 5.0401 8.8825 122.2401 59.7256 40.3436 174.8909 28 I 4.7604 9.2165 128.1498 59.4309 39.9103 174.3305 29 K 4.6375 8.3737 129.2977 54.7534 33.4187 175.5237 30 L 5.0741 8.6613 127.5456 52.7579 44.4916 176.1416 31 K 3.7517 8.7117 121.0624 58.3868 32.1083 176.5364 32 G 4.2728 8.9594 120.0132 43.1783 0.0000 174.6250 33 D 5.7091 7.2911 134.7453 54.4929 43.0897 177.9747 34 R 3.9942 7.3317 118.9024 56.8379 31.5298 175.1165 35 E 5.0865 8.0852 120.9670 54.6478 33.5340 174.1577 36 F 5.3527 9.4570 124.1466 55.8056 43.5165 174.0673 37 R 5.0987 9.4062 120.0405 54.1807 34.3546 175.3638 38 G 4.0442 7.8960 107.4590 46.7142 0.0000 170.9447 39 V 4.7526 7.9225 120.3349 61.2329 33.2642 175.1502 40 L 4.3471 8.8430 131.0092 55.2955 42.3463 176.9649 41 K 4.4844 8.8785 126.3871 57.9701 34.1134 176.3758 42 S 4.7063 7.8286 112.0234 58.0540 65.9713 173.8815 43 F 5.9155 8.0804 114.2000 57.2036 40.5886 172.1649 44 D 5.0008 8.5063 117.9761 51.2112 42.2630 176.1932 45 L 4.1141 8.4774 117.7033 57.5006 41.6298 177.8737 46 H 4.4816 8.8082 115.4656 55.8593 28.7573 176.0989 47 M 3.4146 8.6357 119.3644 55.7284 31.4163 175.5317 48 N 4.8649 8.1690 114.3151 53.3654 40.0466 173.9378 49 L 5.3492 8.8566 121.0567 53.0152 46.6346 175.4627 50 V 4.8321 8.6998 121.2096 61.1776 34.2926 174.3368 51 L 5.2807 8.8428 127.3257 53.1333 45.0280 175.3058 52 N 5.0554 9.3598 119.5703 51.8347 41.5607 174.3946 53 D 4.4938 8.5869 117.6067 55.3901 38.7347 174.1557 54 A 4.6733 7.8990 119.9732 52.0872 20.1477 177.7451 55 E 5.0991 9.3735 120.3930 54.6709 33.9525 174.5728 56 E 4.4090 9.2559 125.5173 55.1135 31.8445 174.7004 57 L 4.9599 8.7138 125.0249 52.9543 45.2148 175.3783 58 E 4.3827 8.5227 124.9241 54.7803 29.6701 172.5872 59 D 4.1594 8.9172 127.0367 54.3865 38.5794 174.5524 60 G 4.0307 9.1262 109.2576 45.3452 0.0000 170.7395 61 E 4.5834 7.6904 119.0945 54.0658 32.8903 174.1427 62 V 4.0239 8.3973 123.3458 64.2778 31.5527 175.6040 63 T 4.6016 8.3066 115.8983 61.4103 70.7142 174.2098 64 R 4.3876 7.6130 120.1063 55.6853 33.6224 173.1149 65 R 4.8294 8.7958 125.8811 55.1369 30.9286 176.0712 66 L 4.4051 9.1784 123.7375 53.3518 43.5084 179.2844 67 G 3.8546 8.2351 107.0944 46.3175 0.0000 173.0816 68 T 4.8056 8.3667 120.5578 63.5437 69.5056 174.6164 69 V 4.4748 8.5017 123.4162 60.0959 35.3973 173.4167 70 L 4.9424 8.4821 125.0683 53.6385 43.7541 175.1541 71 I 4.2755 8.2635 127.9780 59.3344 39.4948 175.4690 72 R 4.4311 8.5187 127.8134 55.7262 30.8929 177.0720 73 G 4.0756 9.8341 115.1435 47.5803 0.0000 174.6106 74 D 4.5672 8.0149 116.5078 54.6143 39.8075 176.4276 75 N 4.6190 7.9921 117.1337 54.1708 39.2130 175.0671 76 I 4.1809 7.5357 120.1286 61.2196 37.9800 175.4710 77 V 4.2615 8.7574 125.4251 64.6240 32.4936 175.1562 78 Y 5.0014 7.0571 115.9142 56.0817 41.4321 173.0726 79 I 5.3361 8.5186 120.2698 59.7418 40.5686 174.9373 80 S 4.8582 9.2873 120.6070 56.2774 67.2557 173.0875 81 R 4.3409 8.5732 119.5201 56.1893 30.5098 177.5062 82 G 3.8945 8.3525 111.8857 45.8328 0.0000 174.0119 83 K 4.3216 8.5559 118.5059 56.9977 32.1751 175.7263 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 10 N 8.42 4.67 0.00 2.70 2.84 0.00 0.00 6.93 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.74 4.19 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 0.76 0.00 0.00 0.93 0.00 0.00 12 Q 9.13 4.30 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.03 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 13 R 8.26 4.15 0.00 1.83 1.86 0.00 3.32 0.00 0.00 3.34 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 14 P 0.00 4.20 0.00 2.13 2.10 0.00 3.59 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 2.11 2.19 0.00 15 L 7.82 3.97 0.00 1.66 1.86 0.90 1.01 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 16 D 8.08 4.62 0.00 2.87 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 17 A 8.43 4.05 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 18 L 8.11 3.87 0.00 1.55 1.25 0.69 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.05 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 0.00 0.00 0.00 20 N 8.06 4.51 0.00 2.81 2.91 0.00 0.00 7.00 7.05 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 21 S 8.14 4.50 0.00 3.97 3.89 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 22 L 7.24 4.31 0.00 1.78 1.67 0.95 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 23 N 9.48 4.33 0.00 2.86 2.95 0.00 0.00 6.83 7.90 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 24 S 7.93 5.05 0.00 3.90 3.74 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 25 P 0.00 4.93 0.00 2.13 2.19 0.00 3.65 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 26 V 9.22 5.08 2.20 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 0.92 0.00 0.00 0.96 0.00 0.00 27 I 8.88 5.04 1.99 0.00 0.00 0.92 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 0.90 1.01 0.00 0.00 28 I 9.22 4.76 1.99 0.00 0.00 0.88 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 1.12 0.89 0.00 0.00 29 K 8.37 4.64 0.00 1.01 0.74 0.00 1.54 0.00 0.00 1.51 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.00 1.18 7.81 30 L 8.66 5.07 0.00 1.66 1.67 1.11 0.69 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 31 K 8.71 3.75 0.00 1.59 1.75 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.55 7.81 32 G 8.96 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.29 5.71 0.00 2.75 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 34 R 7.33 3.99 0.00 1.81 1.68 0.00 3.21 0.00 0.00 3.46 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 35 E 8.09 5.09 0.00 2.01 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 2.15 2.22 0.00 36 F 9.46 5.35 0.00 2.98 2.90 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 37 R 9.41 5.10 0.00 1.74 1.80 0.00 3.23 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 38 G 7.90 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 39 V 7.92 4.75 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 0.93 0.00 0.00 0.95 0.00 0.00 40 L 8.84 4.35 0.00 1.85 1.73 1.06 0.38 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 41 K 8.88 4.48 0.00 1.74 1.83 0.00 1.83 0.00 0.00 1.84 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.58 1.51 7.81 42 S 7.83 4.71 0.00 3.74 3.87 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 43 F 8.08 5.92 0.00 3.10 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 44 D 8.51 5.00 0.00 2.89 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 45 L 8.48 4.11 0.00 1.61 1.73 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.81 4.48 0.00 3.47 3.33 0.00 5.87 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 M 8.64 3.41 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 48 N 8.17 4.86 0.00 3.18 2.74 0.00 0.00 6.79 6.74 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 49 L 8.86 5.35 0.00 1.54 1.53 0.90 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.70 4.83 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 1.07 0.00 0.00 0.92 0.00 0.00 51 L 8.84 5.28 0.00 1.59 1.52 0.92 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 52 N 9.36 5.06 0.00 2.64 2.71 0.00 0.00 7.08 8.69 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 53 D 8.59 4.49 0.00 2.82 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 54 A 7.90 4.67 1.35 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 0.00 0.00 55 E 9.37 5.10 0.00 1.88 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 2.24 2.26 0.00 56 E 9.26 4.41 0.00 1.65 1.67 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 2.03 1.92 0.00 57 L 8.71 4.96 0.00 1.46 1.43 0.87 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.52 4.38 0.00 1.84 1.79 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 2.14 2.30 0.00 59 D 8.92 4.16 0.00 2.86 2.61 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 60 G 9.13 4.03 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 0.00 0.00 0.00 61 E 7.69 4.58 0.00 1.96 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.27 0.00 62 V 8.40 4.02 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 0.90 0.00 0.00 0.99 0.00 0.00 63 T 8.31 4.60 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 1.25 0.00 0.00 64 R 7.61 4.39 0.00 1.85 1.76 0.00 3.18 0.00 0.00 3.38 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 65 R 8.80 4.83 0.00 1.74 1.86 0.00 3.23 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 66 L 9.18 4.41 0.00 1.54 1.72 0.98 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.24 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.37 4.81 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 1.25 0.00 0.00 69 V 8.50 4.47 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 0.54 0.00 0.00 0.74 0.00 0.00 70 L 8.48 4.94 0.00 1.62 1.55 0.90 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.26 4.28 1.74 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.51 0.76 0.00 0.00 72 R 8.52 4.43 0.00 1.81 1.77 0.00 3.17 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.72 0.00 73 G 9.83 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.01 4.57 0.00 2.78 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 N 7.99 4.62 0.00 2.89 2.89 0.00 0.00 6.93 7.58 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 76 I 7.54 4.18 1.96 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 1.15 0.44 0.90 0.00 0.00 77 V 8.76 4.26 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 0.88 0.00 0.00 0.94 0.00 0.00 78 Y 7.06 5.00 0.00 3.05 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 79 I 8.52 5.34 1.89 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.69 0.92 0.00 0.00 80 S 9.29 4.86 0.00 3.82 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 81 R 8.57 4.34 0.00 1.73 1.92 0.00 3.37 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 82 G 8.35 3.89 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 0.00 0.00 0.00 83 K 8.56 4.32 0.00 1.93 1.82 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.43 7.81