NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4495 8.1627 120.3217 55.8067 34.0757 177.3990 2 T 3.8667 7.8178 111.4705 64.1924 66.8990 174.0797 3 I 4.3471 7.9427 121.5946 63.1401 39.0656 177.3984 4 L 4.1150 8.1062 120.8329 58.7840 40.0809 178.6104 5 F 4.2806 8.2151 121.8742 61.3206 38.8350 177.0590 6 Q 3.7167 7.5987 114.0700 59.0266 27.9873 178.4798 7 L 4.1151 7.7334 119.7085 56.5466 41.9373 178.6524 8 A 3.9035 7.5966 120.7597 55.0072 17.8253 179.5024 9 L 3.6840 7.7941 119.0117 58.0917 42.0727 178.8860 10 A 4.0060 7.5045 119.6132 54.1480 18.1245 179.5504 11 A 3.8761 7.6461 119.6405 55.2904 18.4940 179.3469 12 L 3.6993 7.4300 118.7734 58.2829 41.7830 179.3466 13 V 3.7028 7.3701 116.9372 65.5668 31.3620 177.9606 14 I 3.8058 7.5308 119.1082 63.4841 36.7779 177.9112 15 L 4.2143 8.1333 121.8162 57.7602 41.9263 178.8382 16 S 4.3784 7.9251 115.1941 61.3947 62.8079 176.2439 17 F 4.1276 8.6958 123.7842 61.7204 39.0161 176.8182 18 V 3.8613 7.9510 117.0862 65.3833 30.8479 177.6108 19 M 3.9499 9.4677 119.4158 59.5714 31.8319 178.3238 20 V 3.7565 8.5945 118.3026 64.5906 31.7092 177.2645 21 I 3.9165 8.1070 120.0934 64.6095 37.4563 177.8828 22 G 3.7995 8.8540 105.3307 46.4188 0.0000 175.5956 23 V 3.6652 6.3224 118.5677 65.3989 32.0345 175.3619 24 P 4.0973 0.0000 0.0000 65.9598 31.2142 178.5093 25 V 3.6221 7.8096 116.4872 66.3476 31.2006 177.4428 26 A 4.0924 8.0403 119.5605 55.9813 18.3180 178.9821 27 Y 4.1443 9.0650 114.8883 60.3959 38.0648 178.9084 28 A 4.3931 7.7394 121.4864 54.0526 19.6748 179.1572 29 S 4.5575 8.4691 119.3038 56.5710 62.6455 172.7599 30 P 4.6343 0.0000 0.0000 63.7756 31.6854 177.6723 31 Q 4.2720 8.2541 117.0551 58.6373 28.8121 177.0610 32 D 5.0947 7.6828 118.0601 53.2107 41.4091 178.2759 33 W 4.2704 8.3974 118.3938 59.0088 28.8525 177.9313 34 D 3.5666 7.6232 118.2208 54.8636 39.7001 177.7203 35 R 4.2343 7.6551 115.8253 58.2110 30.5744 178.4168 36 S 4.1983 8.1203 114.2364 59.9985 61.9515 175.7400 37 K 3.8892 7.4190 121.8231 60.4739 31.8101 178.2404 38 Q 4.2348 8.1660 119.6995 58.0339 28.9171 177.4116 39 L 4.1155 8.1463 119.2558 56.8492 41.9441 178.5146 40 I 4.1277 7.7956 119.4696 63.2448 37.7279 177.3155 41 F 4.1856 7.9575 116.5150 59.4307 39.1035 176.6689 42 L 4.1502 8.4997 121.1115 58.2351 41.0049 178.9334 43 G 3.8791 8.2096 104.0769 49.3858 0.0000 174.8588 44 S 3.5125 7.8575 112.6191 61.6758 62.6978 176.8716 45 G 3.6135 7.9091 109.0004 48.1916 0.0000 175.0418 46 L 3.8061 7.7738 120.9780 57.2375 41.9556 178.8275 47 W 4.1702 9.5721 129.1432 60.3427 30.7300 177.9337 48 I 4.0568 8.9811 119.9424 64.6962 36.7041 178.3132 49 A 4.0215 8.8027 122.0570 55.1886 18.3387 179.4674 50 L 3.9691 8.1052 118.7960 57.7309 42.0652 179.4845 51 V 3.4642 7.9689 118.9432 65.8720 31.5850 178.0610 52 L 4.0640 8.1732 118.6722 57.3358 41.0881 179.8988 53 V 3.5489 7.4761 117.9469 66.0281 31.8354 178.0966 54 V 4.0033 7.8050 117.3618 63.6594 31.2670 177.9835 55 G 4.0915 8.2088 101.7432 47.3014 0.0000 174.7905 56 V 3.5286 8.7551 125.2637 64.7672 32.4725 176.3571 57 L 4.0769 7.5518 119.7126 58.3388 41.8295 178.8689 58 N 3.7588 7.8157 117.3882 56.4246 38.8876 176.1537 59 F 5.0193 7.0478 114.5280 57.8650 38.5129 175.8255 60 F 5.4157 8.2916 118.5719 56.7184 41.1374 175.9008 61 V 4.3248 7.1495 115.0373 61.7937 33.0069 176.2583 62 V 4.0318 7.5027 117.9443 61.7538 32.4771 174.0821 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 8.16 4.45 0.00 1.95 2.02 0.00 0.00 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.28 0.00 2 T 7.82 3.87 4.24 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 1.20 0.00 0.00 3 I 7.94 4.35 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 1.10 1.33 0.91 0.00 0.00 4 L 8.11 4.12 0.00 1.93 2.03 0.97 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 5 F 8.22 4.28 0.00 3.23 3.14 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 6 Q 7.60 3.72 0.00 2.20 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.49 0.00 0.00 0.00 0.00 0.00 2.55 2.50 0.00 7 L 7.73 4.12 0.00 1.78 1.70 0.90 0.93 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 8 A 7.60 3.90 1.37 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 0.00 0.00 0.00 9 L 7.79 3.68 0.00 1.11 1.01 0.77 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.50 4.01 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 11 A 7.65 3.88 1.34 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 0.00 0.00 12 L 7.43 3.70 0.00 1.58 1.81 0.26 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.37 3.70 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 1.11 0.00 0.00 0.93 0.00 0.00 14 I 7.53 3.81 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.23 0.81 0.00 0.00 15 L 8.13 4.21 0.00 1.95 1.86 1.04 0.95 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 16 S 7.93 4.38 0.00 3.95 4.11 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 17 F 8.70 4.13 0.00 3.26 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 18 V 7.95 3.86 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 1.04 0.00 0.00 1.02 0.00 0.00 19 M 9.47 3.95 0.00 1.99 2.49 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 2.90 2.89 0.00 20 V 8.59 3.76 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 0.78 0.00 0.00 0.97 0.00 0.00 21 I 8.11 3.92 1.98 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.14 0.98 0.00 0.00 22 G 8.85 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 0.00 0.00 0.00 23 V 6.32 3.67 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 0.23 0.00 0.00 0.94 0.00 0.00 24 P 0.00 4.10 0.00 2.34 2.03 0.00 3.76 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.05 0.00 25 V 7.81 3.62 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 0.90 0.00 0.00 1.02 0.00 0.00 26 A 8.04 4.09 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 27 Y 9.07 4.14 0.00 2.90 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 28 A 7.74 4.39 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.47 4.56 0.00 4.05 4.09 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 0.00 0.00 0.00 30 P 0.00 4.63 0.00 1.99 2.00 0.00 3.70 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 1.98 2.23 0.00 31 Q 8.25 4.27 0.00 2.21 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 7.52 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 32 D 7.68 5.09 0.00 2.93 2.68 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 33 W 8.40 4.27 0.00 3.46 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 34 D 7.62 3.57 0.00 2.36 1.89 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 35 R 7.66 4.23 0.00 2.00 2.14 0.00 2.96 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 36 S 8.12 4.20 0.00 4.01 4.01 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.42 3.89 0.00 1.81 2.25 0.00 1.12 0.00 0.00 1.39 0.00 0.00 2.81 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.53 1.38 7.81 38 Q 8.17 4.23 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.86 0.00 0.00 0.00 0.00 0.00 2.26 2.43 0.00 39 L 8.15 4.12 0.00 1.77 1.76 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.80 4.13 2.24 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.18 0.99 0.00 0.00 41 F 7.96 4.19 0.00 3.12 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 42 L 8.50 4.15 0.00 1.98 1.75 0.96 1.45 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 43 G 8.21 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 0.00 0.00 0.00 44 S 7.86 3.51 0.00 3.91 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.91 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.77 3.81 0.00 1.90 2.10 0.96 0.98 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 47 W 9.57 4.17 0.00 3.52 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 48 I 8.98 4.06 2.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.60 1.01 0.00 0.00 49 A 8.80 4.02 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.11 3.97 0.00 2.01 1.58 0.93 0.98 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 51 V 7.97 3.46 2.20 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 0.90 0.00 0.00 0.40 0.00 0.00 52 L 8.17 4.06 0.00 1.93 1.72 1.04 1.16 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 53 V 7.48 3.55 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 0.82 0.00 0.00 0.99 0.00 0.00 54 V 7.80 4.00 2.20 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 1.27 0.00 0.00 0.92 0.00 0.00 55 G 8.21 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 56 V 8.76 3.53 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 0.84 0.00 0.00 0.96 0.00 0.00 57 L 7.55 4.08 0.00 1.88 1.45 1.18 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 58 N 7.82 3.76 0.00 2.57 2.38 0.00 0.00 7.32 7.93 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 59 F 7.05 5.02 0.00 2.82 2.74 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 0.00 0.00 0.00 0.00 60 F 8.29 5.42 0.00 3.18 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.15 4.32 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.97 0.00 0.00 62 V 7.50 4.03 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 0.68 0.00 0.00 0.95 0.00 0.00