NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.1411 8.1849 122.4908 54.8687 43.1511 176.2228 5 R 4.0861 8.4865 125.0534 54.0028 29.8648 170.8113 6 V 4.1942 8.8043 125.1155 60.6889 33.3888 175.7811 7 Q 4.1924 8.5313 126.9399 55.4940 30.5402 176.0581 8 P 4.3753 0.0000 0.0000 65.4904 31.1222 178.2136 9 E 4.1225 8.1222 116.9411 58.5716 29.6925 178.4061 10 A 4.0071 7.8395 121.4106 54.9773 18.6466 179.1365 11 Q 3.9110 8.1400 117.9235 59.1635 29.0826 178.3455 12 A 3.9867 7.7796 121.6825 55.0369 18.5481 179.5282 13 K 3.8700 7.7888 117.1031 59.7158 32.0635 179.7188 14 V 3.6644 7.5377 117.8584 66.2277 31.5352 177.6137 15 D 4.3997 8.3734 118.9613 57.4991 40.6424 179.2141 16 V 3.5617 7.9603 118.4891 65.9631 31.6073 177.8069 17 F 4.2092 8.1411 119.9876 61.4723 39.1229 177.0881 18 R 3.6760 8.4533 118.5759 59.1083 29.7156 178.4786 19 E 3.8852 8.1104 118.6061 59.3846 29.5504 178.6470 20 D 4.2853 7.8591 118.9071 57.4314 40.8793 178.8560 21 L 3.7545 7.5780 120.5758 58.0939 42.0166 178.5769 22 C 4.0247 7.6269 118.5171 62.5957 31.5483 175.6376 23 T 3.9414 7.9835 117.3798 66.7562 68.1203 176.5840 24 K 3.8173 8.2815 120.6498 60.0640 32.1658 179.5354 25 T 3.8178 7.9773 115.7573 66.4158 68.2571 176.8404 26 E 3.9487 8.2570 120.7101 59.3273 29.4919 179.1359 27 N 4.3098 8.0428 116.5515 55.9698 38.5007 177.3208 28 L 3.7276 7.6769 120.3966 57.7224 41.4653 179.5997 29 L 3.8080 7.1583 116.8231 57.7909 41.8030 179.7223 30 G 3.7867 7.9752 103.0716 46.5258 0.0000 173.5262 31 S 4.6513 8.0605 113.6574 59.1518 67.7317 175.1977 32 Y 4.0137 8.3338 120.2905 60.8062 38.5678 177.9085 33 F 4.5472 8.6521 118.7425 60.4963 39.0848 176.0313 34 P 4.3635 0.0000 0.0000 65.1405 31.0322 178.7268 35 K 3.8698 8.0543 118.6399 59.5678 32.2573 179.0479 36 K 3.8256 8.2284 119.1361 59.5497 31.7801 179.3926 37 I 3.7260 7.8606 120.0369 64.4255 37.0320 178.7119 38 S 4.1700 7.8594 115.6663 61.3403 62.6789 176.4642 39 E 3.9280 8.2839 121.3154 59.6022 29.3038 179.5015 40 L 4.1431 8.0125 118.8831 57.8669 41.4307 179.0933 41 D 4.3552 7.7558 117.1562 57.1500 41.2446 177.9687 42 A 4.1617 7.9500 121.3685 54.9428 18.4932 179.1118 43 F 4.3868 8.3782 119.3266 61.8020 39.1389 177.4448 44 L 3.8362 7.8106 117.3864 57.5481 41.5574 178.9896 45 K 4.2048 7.5609 115.2695 56.5138 32.1450 177.0202 46 E 4.3236 7.5056 121.4056 54.8481 30.6278 175.5700 47 P 4.2448 0.0000 0.0000 65.6082 31.8137 178.6397 48 A 3.9934 8.2727 119.9414 55.2199 18.2609 178.0224 49 L 4.5568 7.4542 112.4724 54.7134 41.6524 177.7648 50 N 4.9306 8.0936 117.5714 51.4897 39.9233 171.7869 51 E 4.5941 8.1152 118.4860 54.0540 32.4044 176.1556 52 A 3.9775 8.8588 127.3391 54.9368 18.8239 177.1152 53 N 4.7054 7.9118 116.3959 52.0559 38.8209 175.8318 54 L 4.2635 8.3531 123.4204 56.1099 42.2068 178.3657 55 S 4.6698 7.9331 114.2616 58.6209 62.7454 174.2979 56 N 4.7250 7.6409 119.5428 54.0335 39.4104 176.2534 57 L 4.0533 7.4808 118.7256 56.6020 42.4284 176.8248 58 K 3.6857 8.0999 118.9609 57.0167 32.2082 175.1123 59 A 4.7607 8.2866 128.8843 49.2578 21.0324 174.4830 60 P 4.3737 0.0000 0.0000 63.1370 31.7709 176.7028 61 L 4.4474 7.9091 121.7464 53.4943 42.4211 173.0918 62 D 4.5883 8.3144 121.8686 53.1696 41.5394 176.2496 63 I 4.2138 8.0588 126.5995 61.6627 38.2486 175.1215 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 4 L 8.18 4.14 0.00 1.60 1.64 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.49 4.09 0.00 1.91 1.88 0.00 3.22 0.00 0.00 3.19 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 6 V 8.80 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 0.83 0.00 0.00 0.93 0.00 0.00 7 Q 8.53 4.19 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 8 P 0.00 4.38 0.00 2.26 2.31 0.00 3.68 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 2.07 2.02 0.00 9 E 8.12 4.12 0.00 2.18 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 0.00 2.33 2.31 0.00 10 A 7.84 4.01 1.36 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 0.00 0.00 0.00 11 Q 8.14 3.91 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.58 0.00 12 A 7.78 3.99 1.36 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 0.00 0.00 0.00 13 K 7.79 3.87 0.00 1.97 1.89 0.00 1.77 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.47 7.81 14 V 7.54 3.66 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 1.20 0.00 0.00 1.01 0.00 0.00 15 D 8.37 4.40 0.00 2.88 2.73 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 16 V 7.96 3.56 2.33 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 1.03 0.00 0.00 0.98 0.00 0.00 17 F 8.14 4.21 0.00 3.16 3.26 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 18 R 8.45 3.68 0.00 2.14 1.88 0.00 3.20 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 19 E 8.11 3.89 0.00 2.16 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 2.30 2.60 0.00 20 D 7.86 4.29 0.00 2.74 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 21 L 7.58 3.75 0.00 1.32 1.48 0.73 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 22 C 7.63 4.02 0.00 2.91 2.99 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 23 T 7.98 3.94 4.35 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 1.16 0.00 0.00 24 K 8.28 3.82 0.00 1.79 1.76 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.56 7.81 25 T 7.98 3.82 4.28 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 1.11 0.00 0.00 26 E 8.26 3.95 0.00 1.96 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 2.28 2.58 0.00 27 N 8.04 4.31 0.00 2.85 2.83 0.00 0.00 6.97 6.65 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 28 L 7.68 3.73 0.00 1.66 0.97 0.50 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.16 3.81 0.00 1.54 1.65 0.85 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 30 G 7.98 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.06 4.65 0.00 3.87 3.88 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 32 Y 8.33 4.01 0.00 3.13 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 33 F 8.65 4.55 0.00 3.19 3.12 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 34 P 0.00 4.36 0.00 2.19 2.14 0.00 3.76 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 35 K 8.05 3.87 0.00 1.86 1.96 0.00 1.30 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.41 7.81 36 K 8.23 3.83 0.00 1.82 1.76 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.51 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.94 1.33 7.81 37 I 7.86 3.73 2.04 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.77 0.91 0.00 0.00 38 S 7.86 4.17 0.00 3.98 3.90 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 39 E 8.28 3.93 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.58 0.00 40 L 8.01 4.14 0.00 1.72 1.76 0.97 0.86 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 41 D 7.76 4.36 0.00 2.85 2.83 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 42 A 7.95 4.16 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 43 F 8.38 4.39 0.00 3.06 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 44 L 7.81 3.84 0.00 1.82 1.65 0.87 0.69 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 45 K 7.56 4.20 0.00 1.70 1.86 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.70 7.81 46 E 7.51 4.32 0.00 2.42 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 2.37 2.34 0.00 47 P 0.00 4.24 0.00 2.24 2.10 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 48 A 8.27 3.99 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 49 L 7.45 4.56 0.00 1.65 1.49 -0.35 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.09 4.93 0.00 2.71 2.69 0.00 0.00 6.65 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 51 E 8.12 4.59 0.00 1.90 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 2.19 2.34 0.00 52 A 8.86 3.98 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 53 N 7.91 4.71 0.00 2.76 2.78 0.00 0.00 7.09 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 54 L 8.35 4.26 0.00 1.70 1.69 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 55 S 7.93 4.67 0.00 3.85 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 56 N 7.64 4.72 0.00 2.83 2.86 0.00 0.00 6.83 7.70 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 57 L 7.48 4.05 0.00 1.61 1.94 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.10 3.69 0.00 1.75 1.75 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.47 7.81 59 A 8.29 4.76 1.23 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 0.00 0.00 60 P 0.00 4.37 0.00 2.19 2.07 0.00 3.73 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 61 L 7.91 4.45 0.00 1.54 1.56 0.92 1.20 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 62 D 8.31 4.59 0.00 2.66 2.58 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 0.00 0.00 0.00 0.00 63 I 8.06 4.21 1.87 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 1.27 0.77 0.91 0.00 0.00