NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4512 8.3049 120.3603 56.8395 32.6777 173.7215 2 I 2.7846 7.8617 117.8969 60.5705 36.4031 169.2037 3 V 2.5100 8.4367 125.7925 62.2933 33.2480 173.0730 4 P 4.7749 0.0000 0.0000 61.0060 34.0195 174.6015 5 V 4.1885 8.1837 121.1457 63.2755 32.6870 174.8084 6 R 3.6132 8.7739 124.1398 56.6703 28.9372 175.7574 7 C 3.9333 8.3221 117.1104 57.7613 29.8961 173.0185 8 F 3.9855 7.4483 120.5914 61.6301 39.4374 177.4615 9 S 4.2350 8.5476 119.0027 61.3569 62.5395 173.9013 10 C 4.5998 6.9582 112.0197 53.7138 43.2109 173.9801 11 G 4.1250 7.1889 120.1148 44.7598 0.0000 172.7392 12 K 4.1024 7.5344 122.7584 55.8328 32.7178 175.9879 13 V 3.8639 8.0779 118.9946 61.7930 32.5251 175.9546 14 V 4.4025 8.4357 112.5521 62.7006 36.7769 177.5721 15 G 3.9445 7.7908 107.8185 47.5435 0.0000 173.2599 16 D 4.9381 7.9140 117.8734 53.0003 39.7476 176.6797 17 K 4.6026 8.7269 116.9265 56.0259 33.7630 178.0230 18 W 4.1892 8.3210 129.8340 60.7403 30.8056 177.8424 19 E 3.8018 8.3613 117.9730 59.4464 28.9164 179.5085 20 S 4.0945 7.9822 114.8674 61.7106 63.0943 175.8551 21 Y 4.0854 8.0985 122.2906 60.1816 38.4726 176.9814 22 L 3.5659 7.4685 118.6314 55.8050 41.2497 178.4776 23 N 4.3220 7.3291 117.4950 55.6495 38.9174 177.3226 24 L 3.9927 7.6345 118.5266 57.2157 41.8366 179.4097 25 L 4.1547 7.3208 119.1393 57.6340 41.5246 178.6700 26 Q 4.1485 7.4075 116.7975 57.6661 29.0206 175.4435 27 E 4.5827 7.6584 116.7235 58.0790 34.4784 175.1195 28 D 4.6549 7.5337 114.8038 52.3377 39.9422 176.2206 29 E 3.8355 8.0412 118.1234 57.5969 26.1602 173.4953 30 L 4.8408 8.1236 118.1673 52.4785 46.2081 176.3450 31 D 4.6489 8.5058 120.9116 52.5807 40.6113 177.2968 32 E 4.1464 9.1207 123.7145 59.7153 29.5398 179.8593 33 G 3.9844 7.9804 105.5695 47.2171 0.0000 174.6356 34 T 4.3186 12.0000 117.2776 65.5791 68.9880 178.2702 35 A 3.6127 7.2870 119.0250 53.9359 19.8116 179.0280 36 L 3.5205 8.8005 115.3897 58.1059 42.1971 179.8031 37 S 4.5420 8.0949 114.4547 61.8542 63.0942 176.9771 38 R 3.8826 8.6168 121.4962 59.5821 29.9006 177.8205 39 L 4.3578 8.2217 116.3304 54.5529 41.9414 176.8459 40 G 3.9690 8.0992 107.6451 45.5997 0.0000 174.8886 41 L 4.0626 8.0487 121.4802 55.0019 41.7583 175.9691 42 K 4.3735 8.2801 122.1928 57.2806 34.6374 177.2581 43 R 3.8534 7.7192 117.9464 55.6740 31.2429 176.4959 44 Y 4.5560 7.7465 118.9187 58.1680 38.3542 177.3876 45 C 4.2271 7.6046 116.5236 62.1152 30.3080 175.9032 46 C 4.3375 8.1655 119.5057 59.3560 39.5809 176.3990 47 R 3.8858 9.6263 119.8994 59.1594 29.7192 178.9939 48 R 4.0040 8.1464 115.9701 59.7719 28.9356 178.5043 49 M 3.9829 7.8088 118.3795 58.3710 31.9636 178.0534 50 I 4.0119 7.5168 118.4888 63.7821 37.7433 177.5245 51 L 4.1614 7.7519 120.3646 58.1278 41.9312 178.6573 52 T 4.2648 8.4771 115.4539 65.6027 68.7568 175.1233 53 H 3.8121 7.3592 120.8741 54.9981 28.4984 174.0686 54 V 4.2509 7.7713 125.1524 61.2118 34.1670 174.9640 55 D 4.5137 8.3370 128.6799 53.9084 41.1652 177.6387 56 L 3.8585 7.7593 120.2474 57.4127 41.9286 178.5481 57 I 4.3361 8.2184 118.3918 64.1382 37.5872 177.1931 58 E 4.1707 9.3464 119.2009 58.4415 29.3708 178.2222 59 K 4.3741 8.2020 117.8898 57.3966 33.0168 177.9075 60 F 5.0372 8.6885 116.4334 58.7026 38.9086 177.3710 61 L 4.0631 8.1380 119.3033 57.7176 41.6163 178.5357 62 R 3.7589 7.2080 116.0658 58.3018 30.3989 175.1642 63 Y 4.5324 7.2772 114.7690 57.2583 39.3860 176.0314 64 N 3.2929 7.2689 117.8185 53.5453 41.7028 172.2845 65 P 4.4920 0.0000 0.0000 62.8924 31.7329 176.0430 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 4.45 0.00 2.02 2.26 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.66 0.00 2 I 7.86 2.78 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.65 0.86 0.00 0.00 3 V 8.44 2.51 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 0.62 0.00 0.00 0.43 0.00 0.00 4 P 0.00 4.77 0.00 1.85 1.83 0.00 3.44 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.97 0.00 5 V 8.18 4.19 2.05 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 0.76 0.00 0.00 0.90 0.00 0.00 6 R 8.77 3.61 0.00 1.91 1.96 0.00 3.25 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.57 0.00 7 C 8.32 3.93 0.00 3.01 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 F 7.45 3.99 0.00 3.19 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 9 S 8.55 4.24 0.00 4.00 4.10 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 0.00 0.00 0.00 10 C 6.96 4.60 0.00 3.15 3.10 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 0.00 0.00 0.00 11 G 7.19 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 0.00 0.00 0.00 12 K 7.53 4.10 0.00 1.78 1.67 0.00 1.74 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.49 1.44 7.81 13 V 8.08 3.86 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 0.75 0.00 0.00 0.92 0.00 0.00 14 V 8.44 4.40 2.06 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 0.76 0.00 0.00 0.94 0.00 0.00 15 G 7.79 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 16 D 7.91 4.94 0.00 2.79 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 17 K 8.73 4.60 0.00 2.01 1.84 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.36 1.35 7.81 18 W 8.32 4.19 0.00 3.56 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 19 E 8.36 3.80 0.00 2.07 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 2.57 2.46 0.00 20 S 7.98 4.09 0.00 3.98 3.91 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 0.00 0.00 0.00 21 Y 8.10 4.09 0.00 3.01 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 22 L 7.47 3.57 0.00 1.46 1.44 -0.15 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.33 4.32 0.00 2.89 2.77 0.00 0.00 6.90 6.60 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 24 L 7.63 3.99 0.00 1.52 1.69 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.32 4.15 0.00 1.48 1.52 0.59 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.41 4.15 0.00 1.91 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.70 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 27 E 7.66 4.58 0.00 1.88 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 2.15 2.19 0.00 28 D 7.53 4.65 0.00 2.65 2.71 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 0.00 0.00 0.00 29 E 8.04 3.84 0.00 2.10 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 2.19 2.39 0.00 30 L 8.12 4.84 0.00 1.78 1.49 0.91 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.51 4.65 0.00 2.83 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 32 E 9.12 4.15 0.00 2.19 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 33 G 7.98 3.98 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 0.00 0.00 0.00 34 T 12.00 4.32 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 1.22 0.00 0.00 35 A 7.29 3.61 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.80 3.52 0.00 1.81 1.64 0.88 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.09 4.54 0.00 4.05 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 38 R 8.62 3.88 0.00 1.77 2.00 0.00 3.25 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 39 L 8.22 4.36 0.00 1.62 1.71 1.02 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.10 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 41 L 8.05 4.06 0.00 1.69 1.60 0.90 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.28 4.37 0.00 1.79 2.01 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.26 1.38 7.81 43 R 7.72 3.85 0.00 1.73 1.90 0.00 2.86 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 44 Y 7.75 4.56 0.00 3.13 3.34 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 0.00 45 C 7.60 4.23 0.00 3.17 3.11 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 0.00 46 C 8.17 4.34 0.00 3.02 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 47 R 9.63 3.89 0.00 1.98 2.02 0.00 3.40 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 48 R 8.15 4.00 0.00 2.16 2.49 0.00 2.90 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.18 0.00 49 M 7.81 3.98 0.00 2.10 2.23 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.33 0.00 50 I 7.52 4.01 1.82 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.78 0.13 0.00 0.00 51 L 7.75 4.16 0.00 1.62 1.86 1.01 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.48 4.26 4.36 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 1.26 0.00 0.00 53 H 7.36 3.81 0.00 2.84 2.88 0.00 5.71 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.77 4.25 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 0.85 0.00 0.00 1.05 0.00 0.00 55 D 8.34 4.51 0.00 2.74 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 56 L 7.76 3.86 0.00 2.04 1.57 0.95 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 57 I 8.22 4.34 1.95 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.31 1.01 0.00 0.00 58 E 9.35 4.17 0.00 1.95 2.06 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 2.43 2.60 0.00 59 K 8.20 4.37 0.00 1.62 1.75 0.00 1.55 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.43 7.81 60 F 8.69 5.04 0.00 2.84 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 61 L 8.14 4.06 0.00 1.69 1.78 1.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.21 3.76 0.00 1.86 1.55 0.00 3.22 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 63 Y 7.28 4.53 0.00 3.06 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 64 N 7.27 3.29 0.00 2.76 2.70 0.00 0.00 7.08 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 65 P 0.00 4.49 0.00 2.23 2.03 0.00 3.91 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 1.98 2.01 0.00