NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1041 S 4.2641 8.3349 116.7383 58.2667 64.2733 172.5819 1042 F 4.5511 8.1298 120.1100 55.1983 41.5592 174.2849 1043 F 4.5481 9.2579 122.6457 55.5621 43.2331 174.3487 1044 F 4.7413 8.7786 121.6993 56.0284 39.6226 175.1756 1045 L 4.9701 8.6846 127.6321 53.2513 44.0498 175.5912 1046 S 4.9214 8.6006 120.7396 57.0599 66.6975 173.0051 1047 F 5.0057 8.0581 117.0216 56.5449 40.1546 172.7503 1048 H 4.7794 8.8671 117.9185 53.9214 31.2970 173.7309 1049 I 4.7158 8.1458 123.1893 59.6701 38.4906 175.6379 1050 S 4.6645 8.4760 117.1643 58.8627 64.4789 175.8123 1051 N 4.6583 8.3891 119.2487 55.3447 38.9657 174.3749 1052 L 4.9726 7.3125 115.3658 53.7974 43.3222 175.7332 1053 Q 4.7193 8.3806 118.6756 53.9237 30.9907 175.3410 1054 F 4.5377 8.7111 122.4627 58.2903 40.3038 174.0987 1055 N 4.8310 7.3408 124.6443 51.1377 42.1493 174.7275 1056 S 3.9923 8.4213 117.3109 61.4684 62.8268 176.6697 1057 S 4.0943 7.9827 115.9596 61.5405 62.6567 175.9221 1058 L 4.3861 7.5824 117.9831 56.3289 41.5792 176.8814 1059 E 4.7443 7.8390 119.6351 55.4621 29.5210 175.1488 1060 D 4.1779 7.4065 113.3008 52.8554 45.3450 174.9203 1061 P 3.6040 0.0000 0.0000 63.2504 31.1641 177.4291 1062 S 4.4963 7.5746 112.7981 59.2147 63.4737 173.9037 1063 T 4.7197 7.2151 110.6387 59.7627 71.0921 175.0866 1064 D 4.4362 8.6533 123.1697 57.5085 40.8012 178.4147 1065 Y 4.0838 8.0744 119.9020 60.7714 38.8596 177.4152 1066 Y 3.5948 7.7223 119.0647 60.7351 39.0863 177.9223 1067 Q 4.2062 8.1495 118.7445 59.1056 28.7493 178.8118 1068 E 3.8840 8.7558 119.8930 59.0756 29.4786 178.8146 1069 L 3.7131 7.7790 120.8230 58.3376 41.8944 178.8989 1070 Q 3.7861 7.4735 117.5319 59.1483 28.5082 179.4923 1071 R 3.8563 7.5693 118.1949 59.3582 30.1259 178.8303 1072 D 4.3421 8.7138 119.5290 57.4737 40.8267 179.0500 1073 I 3.7619 8.1254 120.6762 64.3859 37.0995 178.4193 1074 S 4.0972 8.6085 114.8487 61.3081 61.9482 176.1316 1075 E 3.9408 8.8035 121.5856 59.6669 29.6949 178.6311 1076 M 4.1895 8.5826 118.6019 58.6552 32.1979 178.2518 1077 F 3.9838 9.0660 118.3128 60.5946 38.6845 177.5076 1078 L 3.5077 7.8192 118.4142 57.7773 41.0669 179.7136 1079 Q 3.7718 7.5120 116.9572 58.6757 28.7545 178.1939 1080 I 3.5997 7.2198 119.5875 63.8153 37.3762 176.9397 1081 Y 4.5121 7.5452 115.6028 57.7753 37.8454 177.6865 1082 K 3.8668 7.3892 122.0489 59.0648 31.9818 178.1896 1083 Q 3.8782 8.0390 118.3639 57.8396 28.6486 177.8665 1084 G 4.1825 8.3140 105.8951 45.6929 0.0000 176.0317 1085 G 3.4003 8.0965 107.5600 48.1265 0.0000 173.9075 1086 F 3.9925 7.6488 121.5194 58.2850 40.0068 174.1899 1087 L 4.4700 8.0736 125.1978 54.3370 43.9108 176.8174 1088 G 3.9984 6.2614 105.0592 45.6603 0.0000 170.9650 1089 L 4.7233 8.1815 119.3697 52.8602 43.3109 176.6100 1090 S 4.6027 8.0234 116.2920 57.6660 66.4097 172.9927 1091 N 4.2039 8.6825 116.3297 54.5753 35.5113 174.9202 1092 I 4.2865 7.5681 117.3563 61.1220 38.5916 176.4919 1093 K 4.9164 8.6031 122.2183 55.1545 36.0319 175.6651 1094 F 4.8806 8.9685 121.1053 56.1361 41.9474 174.9023 1095 R 4.3062 7.8044 119.8606 53.9286 33.8616 173.5355 1096 P 3.9816 0.0000 0.0000 62.7807 31.8799 176.6567 1097 G 3.6744 8.2769 108.0420 45.8980 0.0000 172.3606 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 1041 S 8.33 4.26 0.00 3.74 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 1042 F 8.13 4.55 0.00 2.80 2.69 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 0.00 0.00 0.00 0.00 1043 F 9.26 4.55 0.00 2.88 2.96 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 0.00 0.00 0.00 1044 F 8.78 4.74 0.00 3.16 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 1045 L 8.68 4.97 0.00 1.76 1.78 1.09 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 1046 S 8.60 4.92 0.00 3.95 3.73 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 1047 F 8.06 5.01 0.00 3.25 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 1048 H 8.87 4.78 0.00 3.12 3.21 0.00 5.66 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1049 I 8.15 4.72 1.93 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.82 1.07 0.00 0.00 1050 S 8.48 4.66 0.00 4.02 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 1051 N 8.39 4.66 0.00 2.75 2.97 0.00 0.00 6.84 7.84 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 1052 L 7.31 4.97 0.00 1.92 1.71 1.15 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 1053 Q 8.38 4.72 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.99 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 1054 F 8.71 4.54 0.00 3.00 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 1055 N 7.34 4.83 0.00 2.65 2.44 0.00 0.00 6.58 7.45 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 1056 S 8.42 3.99 0.00 3.83 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 1057 S 7.98 4.09 0.00 3.95 3.96 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 0.00 0.00 0.00 1058 L 7.58 4.39 0.00 1.53 1.91 1.16 0.66 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 1059 E 7.84 4.74 0.00 2.00 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 2.41 2.62 0.00 1060 D 7.41 4.18 0.00 2.56 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 0.00 0.00 0.00 0.00 1061 P 0.00 3.60 0.00 1.92 1.25 0.00 3.46 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.67 0.00 1062 S 7.57 4.50 0.00 3.93 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 1063 T 7.22 4.72 4.30 0.00 0.00 0.00 0.00 0.00 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 1064 D 8.65 4.44 0.00 2.77 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 1065 Y 8.07 4.08 0.00 3.03 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 1066 Y 7.72 3.59 0.00 3.25 3.06 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 0.00 0.00 0.00 1067 Q 8.15 4.21 0.00 2.34 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.61 0.00 0.00 0.00 0.00 0.00 2.53 2.82 0.00 1068 E 8.76 3.88 0.00 1.93 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 1069 L 7.78 3.71 0.00 1.20 1.18 0.73 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 1070 Q 7.47 3.79 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.89 0.00 0.00 0.00 0.00 0.00 1.89 1.60 0.00 1071 R 7.57 3.86 0.00 1.98 1.95 0.00 3.29 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.77 0.00 1072 D 8.71 4.34 0.00 2.72 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 1073 I 8.13 3.76 1.93 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.75 0.44 0.00 0.00 1074 S 8.61 4.10 0.00 3.90 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1075 E 8.80 3.94 0.00 2.09 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 2.52 2.46 0.00 1076 M 8.58 4.19 0.00 2.38 2.20 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.62 0.00 1077 F 9.07 3.98 0.00 3.18 2.91 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 1078 L 7.82 3.51 0.00 1.86 1.67 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 1079 Q 7.51 3.77 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.95 0.00 0.00 0.00 0.00 0.00 2.67 2.50 0.00 1080 I 7.22 3.60 1.16 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.42 0.03 0.00 0.00 1081 Y 7.55 4.51 0.00 2.79 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 1082 K 7.39 3.87 0.00 1.68 1.88 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.52 1.60 7.81 1083 Q 8.04 3.88 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 5.77 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 1084 G 8.31 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 0.00 0.00 0.00 0.00 1085 G 8.10 3.40 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 0.00 1086 F 7.65 3.99 0.00 3.01 3.07 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 0.00 0.00 0.00 0.00 1087 L 8.07 4.47 0.00 1.36 1.52 0.72 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 1088 G 6.26 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1089 L 8.18 4.72 0.00 1.66 1.61 1.02 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 1090 S 8.02 4.60 0.00 3.90 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 1091 N 8.68 4.20 0.00 2.92 2.96 0.00 0.00 6.96 7.36 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 1092 I 7.57 4.29 2.02 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 1.51 0.54 1.17 0.00 0.00 1093 K 8.60 4.92 0.00 1.79 1.77 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.57 7.81 1094 F 8.97 4.88 0.00 3.19 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1095 R 7.80 4.31 0.00 1.56 1.57 0.00 3.14 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 1096 P 0.00 3.98 0.00 1.99 1.67 0.00 3.27 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.63 0.00 1097 G 8.28 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00