NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 S 4.4156 8.3301 116.8006 58.0211 64.0825 173.6219 23 A 3.9231 8.5765 126.8393 52.1560 20.0051 176.2058 24 L 3.9032 8.4671 125.9057 58.6170 42.6294 177.5659 25 H 4.0712 8.1022 114.3435 58.8013 28.2725 177.4236 26 W 4.7403 7.5142 121.0941 59.2891 28.8736 178.6965 27 R 4.0146 8.0000 117.7755 59.1347 29.4928 178.7661 28 A 4.0792 8.5893 120.8442 54.9615 18.2362 179.4729 29 A 4.0754 8.3001 119.4467 55.2778 18.5761 179.8251 30 G 3.6798 8.2673 103.6749 48.0648 0.0000 175.2949 31 A 4.0075 8.4721 123.9032 54.9214 18.2847 179.5988 32 A 3.9574 8.3274 119.4010 55.6010 18.4193 180.0194 33 T 3.8125 8.2190 114.5015 66.6827 68.5219 177.1631 34 V 3.5800 7.8503 120.2281 65.9113 31.6151 177.8141 35 L 3.9671 8.0988 120.2236 57.9245 41.8786 178.7268 36 L 3.8820 8.1058 120.5287 58.2483 42.1517 178.9512 37 V 3.6575 7.8680 118.1420 66.2360 31.2426 178.0853 38 I 3.7133 7.8127 119.3748 64.3793 36.9757 178.5814 39 V 3.6076 8.2983 119.5264 65.8675 31.3089 178.0322 40 L 4.0088 8.5086 119.1273 57.7807 41.4827 179.5905 41 L 4.0539 7.9585 118.5325 57.8866 41.6302 179.4914 42 A 4.2263 8.4885 121.1937 54.9132 18.2591 179.8992 43 G 3.7302 8.6307 104.9131 48.2210 0.0000 176.1648 44 S 4.4467 8.5003 117.7239 61.4610 62.9987 176.2199 45 Y 4.3761 8.2691 122.2509 60.9671 38.6823 178.0526 46 L 4.1538 9.0075 119.7262 57.1843 41.6613 179.4404 47 A 3.8653 8.0947 121.3645 55.0522 18.3417 179.7859 48 V 3.6331 7.3345 118.1797 65.4447 31.2961 178.0004 49 L 3.8034 7.4010 118.3740 58.0169 41.9748 178.5291 50 A 4.0795 7.9834 120.2000 55.0784 18.7182 179.0158 51 E 4.0360 8.6987 116.9690 57.6291 29.8632 177.5446 52 R 4.0752 7.2851 117.9278 57.4361 30.5507 176.9693 53 G 3.8281 9.0465 109.6958 44.8419 0.0000 173.0025 54 A 4.5200 7.6944 123.0800 49.3295 19.8456 174.2875 55 P 4.2699 0.0000 0.0000 65.0873 31.7058 177.1272 56 G 3.9250 8.9310 111.4042 45.1148 0.0000 173.6557 57 A 4.0721 7.6960 122.5492 52.5205 18.7232 177.2985 58 Q 4.4320 8.3856 118.2508 55.7016 31.2516 176.1803 59 L 4.2370 7.4051 123.0574 54.1769 40.7156 176.5352 60 I 4.3786 7.2767 109.3571 60.4095 39.2151 175.9367 61 T 4.4146 7.2071 110.9640 59.4457 71.7273 174.4973 62 Y 4.2164 8.1781 121.2559 60.7307 38.0400 176.9283 63 P 4.3864 0.0000 0.0000 65.7386 31.5317 178.8934 64 R 4.2354 8.1162 114.0037 59.0764 29.5216 178.5110 65 A 4.2629 7.9378 121.9178 54.9558 18.3906 179.3065 66 L 4.7185 8.4547 120.5450 57.5873 42.1785 179.0783 67 W 4.4467 8.3924 128.0259 60.2503 30.6934 177.6793 68 W 3.8088 8.9068 128.6089 60.3949 30.0626 177.7311 69 A 3.0628 8.5398 120.9859 54.9788 17.7670 179.4110 70 C 3.9345 7.9084 115.3752 62.8634 28.2619 176.0972 71 E 3.6867 7.4533 118.1852 58.4778 28.9822 179.1360 72 T 3.5776 7.0388 117.1457 66.2440 68.4691 176.7505 73 A 3.8498 7.5308 121.6029 54.8283 18.4329 178.8031 74 T 4.1137 7.4771 105.7975 61.2774 69.2427 175.0013 75 T 3.3826 7.5428 110.6524 62.8703 68.1533 173.5600 76 V 3.3625 7.4204 123.0536 65.3853 31.8288 176.8471 77 G 3.8486 7.6882 106.5636 45.8219 0.0000 172.7881 78 Y 4.4257 7.7028 119.9457 58.5044 37.9829 177.3117 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 22 S 8.33 4.42 0.00 3.95 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 23 A 8.58 3.92 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.47 3.90 0.00 1.76 1.68 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 25 H 8.10 4.07 0.00 3.05 3.32 0.00 5.51 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 W 7.51 4.74 0.00 3.44 3.08 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 27 R 8.00 4.01 0.00 2.06 2.00 0.00 3.24 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.97 0.00 28 A 8.59 4.08 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 29 A 8.30 4.08 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.27 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.47 4.01 1.42 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 0.00 0.00 32 A 8.33 3.96 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 33 T 8.22 3.81 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 1.22 0.00 0.00 34 V 7.85 3.58 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 1.00 0.00 0.00 0.94 0.00 0.00 35 L 8.10 3.97 0.00 1.84 1.90 0.93 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.11 3.88 0.00 1.89 1.83 0.88 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 37 V 7.87 3.66 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 0.99 0.00 0.00 0.98 0.00 0.00 38 I 7.81 3.71 2.04 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 1.41 0.66 0.91 0.00 0.00 39 V 8.30 3.61 2.19 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 0.99 0.00 0.00 0.97 0.00 0.00 40 L 8.51 4.01 0.00 1.84 1.73 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 41 L 7.96 4.05 0.00 1.86 1.74 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.49 4.23 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 43 G 8.63 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 0.00 0.00 0.00 44 S 8.50 4.45 0.00 4.24 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 0.00 45 Y 8.27 4.38 0.00 3.15 3.20 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 46 L 9.01 4.15 0.00 1.87 1.79 1.03 1.13 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 47 A 8.09 3.87 1.19 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 0.00 0.00 48 V 7.33 3.63 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 0.75 0.00 0.00 0.62 0.00 0.00 49 L 7.40 3.80 0.00 1.48 1.74 0.85 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 50 A 7.98 4.08 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 51 E 8.70 4.04 0.00 1.95 1.85 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 2.23 2.20 0.00 52 R 7.29 4.08 0.00 1.79 1.79 0.00 3.01 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 53 G 9.05 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.69 4.52 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 55 P 0.00 4.27 0.00 2.03 2.01 0.00 3.65 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 56 G 8.93 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 0.00 0.00 0.00 57 A 7.70 4.07 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 58 Q 8.39 4.43 0.00 1.97 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.51 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 59 L 7.41 4.24 0.00 1.36 1.23 0.61 -0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.28 4.38 1.74 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 1.55 0.76 0.85 0.00 0.00 61 T 7.21 4.41 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 1.15 0.00 0.00 62 Y 8.18 4.22 0.00 3.18 3.13 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 63 P 0.00 4.39 0.00 2.22 2.17 0.00 3.68 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 64 R 8.12 4.24 0.00 2.22 2.28 0.00 2.96 0.00 0.00 3.38 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.76 0.00 65 A 7.94 4.26 1.48 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 0.00 0.00 66 L 8.45 4.72 0.00 1.94 2.04 1.02 0.92 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 67 W 8.39 4.45 0.00 3.41 3.32 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 68 W 8.91 3.81 0.00 3.47 3.43 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 0.00 69 A 8.54 3.06 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 70 C 7.91 3.93 0.00 3.09 2.95 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 71 E 7.45 3.69 0.00 1.60 1.18 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 1.47 1.85 0.00 72 T 7.04 3.58 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 73 A 7.53 3.85 1.15 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 0.00 0.00 74 T 7.48 4.11 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 1.19 0.00 0.00 75 T 7.54 3.38 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 1.13 0.00 0.00 76 V 7.42 3.36 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.74 0.00 0.00 77 G 7.69 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 78 Y 7.70 4.43 0.00 3.20 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