NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 76 M 4.3775 8.2893 120.3269 53.6816 33.1132 175.8374 77 K 3.9119 7.7963 122.6530 55.9792 34.2335 174.7099 78 D 4.5528 10.2154 128.5178 55.0638 41.5002 176.9270 79 T 4.7016 8.1842 111.0048 62.8707 70.8964 173.4386 80 D 4.7515 8.0660 116.8618 54.3152 41.7322 176.6668 81 S 4.4433 7.8109 112.3589 59.8427 63.0199 174.2570 82 E 4.4587 7.6488 119.7386 56.9816 29.4780 178.4166 83 E 3.9846 8.0227 120.2712 59.7933 29.9046 178.3034 84 E 3.9684 8.0385 120.2147 58.4985 29.5154 178.0880 85 I 3.6997 7.6113 119.6531 63.6394 37.5407 177.4542 86 R 2.8726 8.0665 116.6943 59.3715 28.7770 178.3347 87 E 3.9021 7.6769 118.3278 58.3833 31.1696 178.2597 88 A 4.5096 7.6870 121.4775 48.6096 15.7555 176.6383 89 F 5.8403 7.5704 135.0000 58.8322 40.3887 175.7087 90 R 4.8349 7.7818 116.8255 57.7262 29.6098 178.6297 91 V 3.4782 7.8734 117.8949 65.0986 31.6278 175.9144 92 F 4.5272 7.7111 114.4160 58.9197 40.1918 177.3380 93 D 4.7768 7.5574 119.8436 53.4530 40.7593 178.9672 94 K 3.8095 7.8630 118.0304 59.7364 32.4908 176.4007 95 D 4.7938 7.7888 117.4026 52.7135 41.7743 177.0956 96 G 3.4685 7.2339 106.2984 46.6795 0.0000 174.8985 97 N 4.6139 8.5455 113.6765 53.4648 43.3814 174.5838 98 G 3.4887 8.2255 112.9032 45.1899 0.0000 173.5878 99 Y 4.9184 7.3867 118.1600 56.2935 38.9506 174.7520 100 I 4.3258 8.3759 116.9483 58.5281 41.7366 174.8162 101 S 4.6857 8.3834 117.8175 57.7934 64.2193 175.8828 102 A 3.9378 8.7547 122.1364 55.6235 17.9457 179.5764 103 A 3.9077 8.1156 118.6253 55.4384 18.1582 179.7332 104 E 3.0256 7.8337 117.0026 59.0452 29.4252 179.1108 105 L 4.0910 7.7715 120.0055 58.2836 41.8889 178.6249 106 R 3.9066 8.0114 116.1184 60.1576 28.7877 177.9570 107 H 4.0286 7.6894 116.1317 58.6888 30.2290 176.8718 108 V 4.0716 7.9889 120.4109 65.6522 31.2161 177.4373 109 M 4.1548 8.7204 118.3156 58.5593 32.1539 176.5299 110 T 4.3268 7.2918 115.4257 63.3122 69.4756 174.0866 111 N 4.3716 7.6983 125.6394 53.4818 41.7334 175.5361 112 L 4.2807 7.6966 119.1110 54.9702 40.4865 177.0805 113 G 3.9730 7.8966 105.8651 49.2488 0.0000 174.1779 114 E 4.2761 7.7877 122.0701 56.6173 30.3882 175.4524 115 K 4.4656 7.8694 126.1590 57.8104 33.4288 174.3916 116 L 4.8705 7.4395 130.0514 55.7695 39.9673 179.7596 117 T 4.7220 8.3568 107.1762 58.7254 71.6579 173.6177 118 D 4.5053 8.5759 119.7439 56.2236 41.1368 177.4973 119 E 4.1421 7.9332 118.3988 59.4714 30.0393 178.1255 120 E 4.0593 8.1826 118.8338 58.9293 29.4564 179.8607 121 V 3.6891 7.8340 119.4572 64.9094 31.6446 178.1164 122 D 4.3466 7.7131 117.7836 56.3637 41.1406 177.0017 123 E 4.2322 8.1529 117.7760 57.4120 30.1772 176.7665 124 M 4.3247 7.5920 117.1520 57.1786 32.7378 177.6288 125 I 3.8340 7.9203 120.1478 64.4084 36.9826 178.0091 126 R 3.9411 8.1736 117.9556 59.2914 29.8023 178.0579 127 E 4.0963 7.9710 118.2080 59.0892 29.8528 176.8012 128 A 4.4719 8.1587 120.5019 53.0273 18.9287 177.0175 129 D 4.8331 8.5585 112.4629 53.0651 42.7244 176.1398 130 I 4.5935 7.6342 116.7641 60.2058 43.8311 175.7905 131 D 5.6235 8.3433 131.9649 54.2813 37.8825 177.8451 132 G 4.1355 7.7265 108.7785 48.2598 0.0000 173.4454 133 D 4.6140 8.0032 118.6862 53.9946 45.9483 177.3573 134 G 3.2549 8.6578 110.3944 44.4097 0.0000 174.3634 135 Q 4.4331 8.3251 114.7299 58.0837 28.0653 178.3436 136 V 4.2983 5.8253 133.0375 61.3885 32.8814 174.1689 137 N 6.0208 8.3359 127.4170 51.3308 40.6430 174.9730 138 Y 4.7056 8.4595 116.7967 61.8278 37.7841 178.2258 139 E 4.3782 8.5295 119.6560 58.2981 29.5976 178.3251 140 E 4.5398 8.3800 116.0488 56.6529 30.3427 177.3792 141 F 4.7871 8.5150 122.1575 60.6379 39.5401 177.6210 142 V 3.3657 8.0061 118.6119 64.2281 31.0521 178.0786 143 Q 3.9622 7.5717 120.8305 58.9549 28.5466 178.0596 144 M 3.9714 7.5889 119.5313 58.3498 32.3805 178.2055 145 M 4.1443 7.3470 113.6853 56.9809 31.6804 176.7085 146 T 4.2128 7.3096 113.9321 59.7980 68.2837 173.1682 147 A 3.9129 7.8892 124.4454 52.3265 18.7299 178.6406 148 K 4.1670 8.5609 121.1422 57.2307 32.9526 176.4585 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 76 M 8.29 4.38 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 77 K 7.80 3.91 0.00 1.97 1.91 0.00 1.65 0.00 0.00 1.79 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.50 7.81 78 D 10.22 4.55 0.00 2.82 2.56 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 0.00 79 T 8.18 4.70 4.34 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 0.00 0.00 0.00 1.26 0.00 0.00 80 D 8.07 4.75 0.00 2.59 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 81 S 7.81 4.44 0.00 3.88 3.81 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 82 E 7.65 4.46 0.00 1.99 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 2.32 2.43 0.00 83 E 8.02 3.98 0.00 2.19 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 2.28 2.30 0.00 84 E 8.04 3.97 0.00 2.03 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 2.38 0.00 85 I 7.61 3.70 1.77 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.24 0.70 0.00 0.00 86 R 8.07 2.87 0.00 1.99 2.40 0.00 2.90 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 87 E 7.68 3.90 0.00 1.95 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 0.00 2.33 2.39 0.00 88 A 7.69 4.51 1.44 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 89 F 7.57 5.84 0.00 3.35 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 90 R 7.78 4.83 0.00 2.12 2.47 0.00 3.13 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.53 0.00 91 V 7.87 3.48 1.65 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 0.02 0.00 0.00 0.86 0.00 0.00 92 F 7.71 4.53 0.00 2.84 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 93 D 7.56 4.78 0.00 2.49 2.51 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 0.00 94 K 7.86 3.81 0.00 1.85 1.92 0.00 1.50 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.41 7.81 95 D 7.79 4.79 0.00 2.59 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 0.00 0.00 0.00 96 G 7.23 3.47 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 0.00 97 N 8.55 4.61 0.00 2.33 2.89 0.00 0.00 6.97 7.69 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 98 G 8.23 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 7.39 4.92 0.00 2.94 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.38 4.33 1.43 0.00 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.24 0.62 0.00 0.00 101 S 8.38 4.69 0.00 3.88 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 0.00 102 A 8.75 3.94 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 0.00 103 A 8.12 3.91 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 0.00 104 E 7.83 3.03 0.00 2.03 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 1.85 1.47 0.00 105 L 7.77 4.09 0.00 1.80 1.74 0.99 1.12 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 0.00 106 R 8.01 3.91 0.00 2.20 2.20 0.00 2.95 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.86 0.00 107 H 7.69 4.03 0.00 3.22 3.44 0.00 5.94 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.99 4.07 2.40 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 1.34 0.00 0.00 1.26 0.00 0.00 109 M 8.72 4.15 0.00 2.20 2.38 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 2.79 2.57 0.00 110 T 7.29 4.33 4.37 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 0.00 0.00 0.00 1.21 0.00 0.00 111 N 7.70 4.37 0.00 2.81 2.89 0.00 0.00 6.93 8.03 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 0.00 112 L 7.70 4.28 0.00 1.86 1.96 1.05 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 113 G 7.90 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 114 E 7.79 4.28 0.00 2.02 1.83 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 2.21 2.20 0.00 115 K 7.87 4.47 0.00 1.96 2.02 0.00 1.12 0.00 0.00 2.41 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.18 1.11 7.81 116 L 7.44 4.87 0.00 1.72 0.72 0.95 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.36 4.72 4.25 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 1.21 0.00 0.00 118 D 8.58 4.51 0.00 2.74 2.70 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 0.00 119 E 7.93 4.14 0.00 2.05 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 2.36 2.39 0.00 120 E 8.18 4.06 0.00 2.00 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 2.46 0.00 121 V 7.83 3.69 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 0.95 0.00 0.00 1.02 0.00 0.00 122 D 7.71 4.35 0.00 2.87 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 0.00 123 E 8.15 4.23 0.00 2.16 1.95 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 2.30 2.31 0.00 124 M 7.59 4.32 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.61 0.00 125 I 7.92 3.83 2.02 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.59 0.95 0.00 0.00 126 R 8.17 3.94 0.00 1.79 2.04 0.00 3.21 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.90 0.00 127 E 7.97 4.10 0.00 1.97 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 0.00 2.32 2.38 0.00 128 A 8.16 4.47 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.56 4.83 0.00 2.95 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 0.00 130 I 7.63 4.59 1.88 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 1.58 0.42 0.96 0.00 0.00 131 D 8.34 5.62 0.00 2.86 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 0.00 132 G 7.73 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 0.00 0.00 0.00 133 D 8.00 4.61 0.00 2.59 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 G 8.66 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 0.00 0.00 0.00 135 Q 8.33 4.43 0.00 2.45 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.76 0.00 0.00 0.00 0.00 0.00 2.52 2.38 0.00 136 V 5.83 4.30 2.40 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 1.32 0.00 0.00 1.10 0.00 0.00 137 N 8.34 6.02 0.00 3.08 3.12 0.00 0.00 6.87 7.66 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 0.00 138 Y 8.46 4.71 0.00 3.11 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 E 8.53 4.38 0.00 2.10 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 0.00 2.47 2.48 0.00 140 E 8.38 4.54 0.00 2.12 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 0.00 2.40 2.35 0.00 141 F 8.51 4.79 0.00 3.30 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 0.00 142 V 8.01 3.37 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 0.85 0.00 0.00 143 Q 7.57 3.96 0.00 2.21 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 144 M 7.59 3.97 0.00 2.02 1.89 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 2.81 2.71 0.00 145 M 7.35 4.14 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 146 T 7.31 4.21 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 1.17 0.00 0.00 147 A 7.89 3.91 1.27 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 0.00 148 K 8.56 4.17 0.00 1.85 1.77 0.00 1.60 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.40 7.81