NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1069 V 4.0064 8.0544 120.3926 62.1841 33.7120 174.4796 1070 R 4.4140 7.5187 119.7599 54.0700 32.1357 172.7796 1071 R 5.1787 9.3422 126.3217 54.7226 34.3639 173.7246 1072 V 4.9305 9.0570 117.6943 59.4975 36.5136 174.0763 1073 K 4.8847 8.9405 125.8375 54.4917 34.7473 175.1768 1074 T 4.3755 8.9977 119.2263 61.9596 69.3439 174.7397 1075 I 4.2570 8.5639 119.8967 61.0568 38.6755 174.3671 1076 Y 4.8911 7.9192 118.9750 56.9598 42.7029 173.8258 1077 D 5.0571 8.9841 119.8565 53.2686 42.2801 175.7892 1078 C 4.7609 8.7356 124.4735 57.1973 34.8214 172.3502 1079 Q 4.8813 8.2142 124.2434 53.9225 31.6028 174.7831 1080 A 4.3203 8.7859 129.2009 52.2231 19.2860 177.5573 1081 D 4.5003 8.7908 122.0800 56.2574 41.7893 175.7924 1082 N 5.1888 7.9463 114.9742 51.1299 41.6846 174.6252 1083 D 4.6065 8.5380 117.3434 57.3902 41.2944 177.7339 1084 D 4.5733 8.1114 119.3352 57.0375 41.8431 176.7134 1085 E 5.0136 7.8156 115.2308 55.7860 31.1188 176.1185 1086 L 4.7696 8.9470 124.3969 53.7631 43.5593 176.0560 1087 T 4.4291 8.6638 124.2544 63.2705 69.3044 174.2596 1088 F 5.1288 8.5221 121.2697 55.0965 41.4872 173.8078 1089 I 4.8427 8.3769 114.5455 58.6186 40.4113 174.7021 1090 E 4.1397 9.6700 125.4286 57.7677 29.2459 176.6784 1091 G 4.0467 8.7451 114.6177 45.5545 0.0000 173.9377 1092 E 4.3012 8.4828 120.0745 56.1406 31.2845 175.9421 1093 V 4.7225 8.2213 121.1412 61.2101 34.7358 174.0291 1094 I 4.7219 8.8367 128.6962 59.4659 40.2576 174.8011 1095 I 4.5288 8.6821 128.4316 60.0754 38.1401 175.4714 1096 V 4.4595 8.8530 129.7338 63.3258 31.5879 175.7672 1097 T 4.4596 9.0291 118.7763 61.9398 70.8220 173.9173 1098 G 4.4858 7.5205 108.2615 46.1143 0.0000 171.6738 1099 E 4.9334 8.4942 117.8309 55.1604 32.9559 174.7592 1100 E 4.4276 9.2874 121.2575 57.5395 31.4919 175.3121 1101 D 5.1145 8.5287 116.2446 51.7892 44.4879 176.2188 1102 Q 4.2591 8.9276 121.5479 58.6266 29.2888 176.1704 1103 E 4.2985 9.4715 116.7473 55.3311 29.9751 174.6314 1104 W 5.3070 8.0237 116.5354 55.4050 32.9165 174.2855 1105 W 5.1561 8.6621 124.9043 54.8904 32.3923 174.8204 1106 I 4.7879 8.2084 121.5032 60.0307 39.8035 176.0537 1107 G 4.8221 8.8021 111.2797 44.6386 0.0000 171.4690 1108 H 5.6825 8.3583 113.9745 53.6137 32.5825 173.1956 1109 I 4.0089 8.6016 121.6573 61.6249 37.6122 176.2323 1110 E 3.8324 9.4947 129.0460 59.6381 29.5655 178.1769 1111 G 3.9155 7.8788 104.8950 46.1228 0.0000 173.6955 1112 Q 4.4631 7.6600 120.8861 53.4170 28.7447 173.5535 1113 P 4.4811 0.0000 0.0000 63.4443 31.9411 177.1320 1114 E 4.0846 8.1463 118.7063 57.7543 29.9702 176.6574 1115 R 4.4352 7.9130 118.6845 54.6924 28.9646 175.2100 1116 K 5.2209 9.0504 120.5410 53.6732 36.5986 177.4546 1117 G 3.9675 7.7379 106.8259 46.2075 0.0000 170.3936 1118 V 4.9647 8.0728 120.4338 61.3755 33.2920 176.1129 1119 F 5.5830 8.7680 122.8508 54.1928 41.7133 172.3077 1120 P 3.6207 0.0000 0.0000 62.0770 31.9692 177.5261 1121 V 3.4145 8.4350 124.5967 64.9470 31.6443 178.0488 1122 S 4.1660 7.8756 113.4014 60.7209 63.1143 174.5991 1123 F 5.0188 8.5349 117.7449 57.2986 40.1302 175.4660 1124 V 4.9029 7.7768 111.1010 59.6450 35.7004 174.3036 1125 H 4.9458 8.9144 121.7267 54.2303 32.5867 172.7672 1126 I 4.1267 8.3405 126.8335 60.7845 37.4410 176.9695 1127 L 4.4530 8.5077 131.5736 54.2023 39.7249 177.0264 1128 S 4.6359 7.7369 107.9547 57.9821 63.5144 172.8142 1129 D 4.5013 8.0355 123.5411 53.9336 40.9963 175.9358 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 1069 V 8.05 4.01 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 0.93 0.00 0.00 0.92 0.00 0.00 1070 R 7.52 4.41 0.00 1.97 1.91 0.00 2.99 0.00 0.00 3.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.73 0.00 1071 R 9.34 5.18 0.00 1.89 1.70 0.00 3.17 0.00 0.00 3.33 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 1072 V 9.06 4.93 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 0.81 0.00 0.00 0.81 0.00 0.00 1073 K 8.94 4.88 0.00 1.71 1.62 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.47 7.81 1074 T 9.00 4.38 4.67 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 0.87 0.00 0.00 1075 I 8.56 4.26 1.49 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.85 0.89 0.00 0.00 1076 Y 7.92 4.89 0.00 3.12 2.84 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 0.00 0.00 0.00 0.00 1077 D 8.98 5.06 0.00 2.59 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 1078 C 8.74 4.76 0.00 2.24 1.18 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 1079 Q 8.21 4.88 0.00 1.99 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.72 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 1080 A 8.79 4.32 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 1081 D 8.79 4.50 0.00 2.66 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.95 5.19 0.00 2.96 2.74 0.00 0.00 7.04 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1083 D 8.54 4.61 0.00 2.66 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 1084 D 8.11 4.57 0.00 2.58 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 1085 E 7.82 5.01 0.00 2.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.61 0.00 1086 L 8.95 4.77 0.00 1.75 1.99 1.15 1.17 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 1087 T 8.66 4.43 4.26 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 1.23 0.00 0.00 1088 F 8.52 5.13 0.00 3.03 3.01 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 1089 I 8.38 4.84 2.08 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 1.27 1.00 0.92 0.00 0.00 1090 E 9.67 4.14 0.00 2.06 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 2.39 2.39 0.00 1091 G 8.75 4.05 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 0.00 0.00 0.00 1092 E 8.48 4.30 0.00 2.03 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 1093 V 8.22 4.72 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 0.90 0.00 0.00 0.90 0.00 0.00 1094 I 8.84 4.72 1.32 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.06 0.45 0.00 0.00 1095 I 8.68 4.53 1.62 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 1.07 0.87 0.88 0.00 0.00 1096 V 8.85 4.46 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 0.97 0.00 0.00 1.43 0.00 0.00 1097 T 9.03 4.46 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 1098 G 7.52 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1099 E 8.49 4.93 0.00 1.61 1.59 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 1.47 1.82 0.00 1100 E 9.29 4.43 0.00 2.17 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 2.22 2.21 0.00 1101 D 8.53 5.11 0.00 2.75 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 1102 Q 8.93 4.26 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 7.01 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 1103 E 9.47 4.30 0.00 2.01 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 1.99 2.13 0.00 1104 W 8.02 5.31 0.00 3.31 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 1105 W 8.66 5.16 0.00 2.64 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 1106 I 8.21 4.79 1.81 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 1.18 0.85 1.03 0.00 0.00 1107 G 8.80 4.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1108 H 8.36 5.68 0.00 3.27 3.41 0.00 5.28 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1109 I 8.60 4.01 2.08 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.30 1.00 0.00 0.00 1110 E 9.49 3.83 0.00 1.85 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 2.34 2.28 0.00 1111 G 7.88 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 1112 Q 7.66 4.46 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.83 0.00 0.00 0.00 0.00 0.00 2.25 2.45 0.00 1113 P 0.00 4.48 0.00 2.05 2.01 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 1114 E 8.15 4.08 0.00 1.98 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 0.00 2.32 2.34 0.00 1115 R 7.91 4.44 0.00 2.11 1.93 0.00 3.15 0.00 0.00 3.21 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 1116 K 9.05 5.22 0.00 1.75 1.91 0.00 1.86 0.00 0.00 1.83 0.00 0.00 3.16 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.61 7.81 1117 G 7.74 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 1118 V 8.07 4.96 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 1.05 0.00 0.00 1.04 0.00 0.00 1119 F 8.77 5.58 0.00 3.17 3.28 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 0.00 1120 P 0.00 3.62 0.00 1.42 0.49 0.00 4.00 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.88 0.00 1121 V 8.44 3.41 1.59 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 0.40 0.00 0.00 -0.49 0.00 0.00 1122 S 7.88 4.17 0.00 4.17 4.03 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 0.00 0.00 0.00 1123 F 8.53 5.02 0.00 3.39 3.48 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 0.00 0.00 0.00 0.00 1124 V 7.78 4.90 1.88 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 -0.03 0.00 0.00 0.93 0.00 0.00 1125 H 8.91 4.95 0.00 3.13 3.21 0.00 5.78 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1126 I 8.34 4.13 1.87 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.82 1.01 0.00 0.00 1127 L 8.51 4.45 0.00 1.50 1.63 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 1128 S 7.74 4.64 0.00 3.82 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1129 D 8.04 4.50 0.00 2.65 2.52 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