NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 V 4.0352 7.9133 120.3834 62.5447 32.8709 176.3963 13 L 3.8093 8.2695 126.9473 57.1112 41.4467 178.1107 14 Q 4.0585 8.2070 118.2843 58.6755 29.0301 178.2361 15 V 3.5826 7.7253 118.7741 66.0566 31.7506 177.7021 16 L 4.0697 7.6200 118.2476 58.1102 41.5965 179.3774 17 D 4.3535 8.3383 118.5525 57.4140 40.7749 178.8952 18 R 3.9151 8.2984 119.3794 59.3861 30.0930 178.5055 19 L 3.9951 8.2843 119.1712 57.6711 41.6234 179.3272 20 K 3.9118 8.1668 119.5546 59.7635 32.0989 178.5308 21 M 4.0224 7.9392 117.9222 58.6353 32.0731 178.4122 22 K 4.0319 8.2713 118.6691 59.2552 32.0578 179.4440 23 L 4.0195 8.0062 119.5676 57.6512 41.4795 179.2498 24 Q 3.9793 8.0029 118.0129 59.2789 28.5089 178.8748 25 E 3.9439 8.0386 117.8549 59.3690 29.5901 179.0845 26 K 4.2700 7.6247 116.4648 56.9477 32.3447 177.9878 27 G 3.7681 8.1561 107.6447 45.2701 0.0000 172.7454 28 D 4.7151 8.1007 119.7205 52.8477 41.2881 175.6254 29 T 4.5782 8.1781 116.2431 61.2738 69.1249 176.4484 30 S 4.1770 8.4170 118.4632 61.0457 63.1184 174.9209 31 Q 4.5590 7.8821 118.1774 55.5055 29.7291 176.5214 32 N 4.2469 8.0668 117.7150 56.7339 38.4959 176.7335 33 E 3.8987 8.0648 119.6030 59.0402 29.7928 178.3962 34 K 3.8796 8.0379 119.1635 59.6878 32.2622 178.4917 35 L 4.1559 8.1396 119.1634 58.0282 41.5187 179.7293 36 S 4.1285 8.0874 115.0105 61.8673 62.7236 176.7371 37 M 4.1205 8.4009 121.6020 58.2235 31.7230 178.4979 38 F 4.3677 8.5581 121.0538 61.5277 39.5321 176.2726 39 Y 3.7301 8.7001 119.3808 61.0038 38.3420 178.2551 40 E 4.1042 8.5635 118.1814 59.5501 29.7995 179.2893 41 T 3.8924 7.9976 115.9711 66.6180 68.3041 176.8321 42 L 3.6630 7.2654 119.4024 56.9595 41.6023 178.6933 43 K 4.1250 7.3537 117.2535 56.0740 32.8990 176.7803 44 S 4.1923 7.4022 115.1283 58.1410 63.1383 172.8417 45 P 4.2689 0.0000 0.0000 66.0397 30.9905 178.3100 46 L 3.9387 7.9692 119.9297 57.7713 41.9477 178.5241 47 F 4.1724 8.0811 120.4512 61.5279 39.3251 176.8948 48 N 4.2441 8.4653 116.0867 56.2037 38.3066 177.5584 49 Q 3.9518 8.2519 119.6786 58.8802 28.7301 178.7479 50 I 3.6445 7.7819 120.8303 64.1896 37.1236 178.3278 51 L 3.7316 7.6095 119.8439 58.1017 41.5884 179.6205 52 T 3.7705 7.6097 115.3567 66.7234 68.4098 176.4341 53 L 3.9525 7.9017 121.9836 58.2690 42.0427 179.0073 54 Q 3.9833 8.3007 118.2253 58.9695 28.5657 178.7719 55 Q 3.9993 8.0790 119.2854 58.8769 28.7474 178.8985 56 S 4.1116 7.8571 115.9029 61.6992 62.9152 176.8179 57 I 3.7381 7.9301 122.6046 64.0419 36.7759 178.3619 58 K 3.9265 8.4090 121.0167 59.6911 32.0074 178.9088 59 Q 4.0061 8.2419 118.2989 58.8945 28.6025 178.7408 60 L 4.0002 7.8959 119.9661 57.7802 41.5865 179.7495 61 K 4.1340 8.2848 118.6000 59.2682 31.9434 179.7139 62 G 3.5657 8.0490 106.3022 47.6086 0.0000 175.6702 63 Q 3.9992 8.2003 121.9885 58.7963 29.0530 177.9531 64 L 3.9190 7.9871 121.3933 58.3376 42.0061 178.3854 65 N 4.2641 8.1534 115.5213 56.9083 38.5888 176.5554 66 H 4.2162 8.1620 118.2450 59.3296 30.1198 176.7328 67 I 3.9282 7.7154 120.6595 64.0512 38.3055 178.0104 68 L 4.2472 7.6763 119.9726 55.1058 38.4602 177.0408 69 E 4.0900 8.1655 121.1460 56.6944 29.6227 174.6736 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 12 V 7.91 4.04 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 1.03 0.00 0.00 0.92 0.00 0.00 13 L 8.27 3.81 0.00 1.76 1.69 0.65 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 8.21 4.06 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.91 0.00 0.00 0.00 0.00 0.00 2.47 2.42 0.00 15 V 7.73 3.58 2.27 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 1.21 0.00 0.00 0.95 0.00 0.00 16 L 7.62 4.07 0.00 2.06 1.90 0.69 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.34 4.35 0.00 3.04 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 18 R 8.30 3.92 0.00 1.94 2.08 0.00 3.11 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 19 L 8.28 4.00 0.00 1.90 1.73 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.17 3.91 0.00 1.94 1.93 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.44 7.81 21 M 7.94 4.02 0.00 2.27 2.03 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.73 0.00 22 K 8.27 4.03 0.00 1.95 1.85 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.68 7.81 23 L 8.01 4.02 0.00 1.88 1.96 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 8.00 3.98 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.68 2.55 0.00 25 E 8.04 3.94 0.00 2.12 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 0.00 2.35 2.63 0.00 26 K 7.62 4.27 0.00 1.82 1.86 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.45 7.81 27 G 8.16 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.10 4.72 0.00 2.62 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.18 4.58 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 1.23 0.00 0.00 30 S 8.42 4.18 0.00 4.01 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 31 Q 7.88 4.56 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.86 0.00 0.00 0.00 0.00 0.00 2.34 2.28 0.00 32 N 8.07 4.25 0.00 2.70 2.87 0.00 0.00 6.62 8.23 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 33 E 8.06 3.90 0.00 2.03 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 2.38 2.37 0.00 34 K 8.04 3.88 0.00 1.90 1.80 0.00 1.62 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.57 7.81 35 L 8.14 4.16 0.00 1.83 1.79 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.09 4.13 0.00 4.02 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 37 M 8.40 4.12 0.00 2.09 2.29 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.57 0.00 38 F 8.56 4.37 0.00 3.08 3.27 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 39 Y 8.70 3.73 0.00 3.20 3.05 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 0.00 0.00 0.00 0.00 40 E 8.56 4.10 0.00 2.11 2.04 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 2.68 2.55 0.00 41 T 8.00 3.89 4.18 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 0.00 0.00 0.68 0.00 0.00 42 L 7.27 3.66 0.00 1.30 1.45 -0.11 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 43 K 7.35 4.12 0.00 1.67 1.75 0.00 1.83 0.00 0.00 1.50 0.00 0.00 3.13 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.26 7.81 44 S 7.40 4.19 0.00 4.03 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 45 P 0.00 4.27 0.00 2.32 2.31 0.00 3.79 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.04 0.00 46 L 7.97 3.94 0.00 1.81 1.78 0.94 0.91 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 47 F 8.08 4.17 0.00 3.09 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 48 N 8.47 4.24 0.00 3.02 2.83 0.00 0.00 7.06 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.25 3.95 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 50 I 7.78 3.64 1.83 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.82 0.83 0.00 0.00 51 L 7.61 3.73 0.00 1.59 1.52 0.76 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.61 3.77 4.32 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 1.18 0.00 0.00 53 L 7.90 3.95 0.00 1.90 1.62 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 8.30 3.98 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 55 Q 8.08 4.00 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 56 S 7.86 4.11 0.00 4.05 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 57 I 7.93 3.74 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.06 0.90 0.00 0.00 58 K 8.41 3.93 0.00 1.92 1.98 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.48 7.81 59 Q 8.24 4.01 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 60 L 7.90 4.00 0.00 1.87 1.71 0.91 0.87 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 61 K 8.28 4.13 0.00 1.97 1.86 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.60 7.81 62 G 8.05 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.20 4.00 0.00 2.22 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 64 L 7.99 3.92 0.00 1.94 1.76 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 65 N 8.15 4.26 0.00 2.88 2.91 0.00 0.00 7.11 8.48 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 66 H 8.16 4.22 0.00 3.29 3.50 0.00 5.99 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.72 3.93 2.07 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.81 0.91 0.00 0.00 68 L 7.68 4.25 0.00 1.76 1.63 0.92 0.75 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 69 E 8.17 4.09 0.00 2.09 1.90 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 2.20 2.21 0.00