NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1001 M 4.4969 8.1633 120.6195 55.3239 34.2983 173.6660 1002 K 4.8301 9.9893 126.0489 54.5422 34.2422 175.0116 1003 F 5.4370 9.7633 125.6557 55.9193 43.1935 174.5664 1004 A 5.1378 9.0693 121.7030 50.8228 22.1800 175.0370 1005 L 5.2139 8.8443 123.1806 53.6077 44.1331 175.5221 1006 Q 5.0560 8.9789 125.7266 54.4540 31.4333 174.0934 1007 I 5.0187 8.5663 126.7939 59.9525 39.7192 175.6023 1008 N 5.2735 9.1522 124.0086 53.3936 39.5533 174.7064 1009 E 4.8347 8.1341 118.1952 54.0514 33.1179 175.6476 1010 G 4.2854 8.5686 109.0266 44.8962 0.0000 171.1935 1011 P 4.5269 0.0000 0.0000 63.7102 32.1046 176.0700 1012 Y 4.0810 8.3341 121.7680 59.1191 36.9041 170.7975 1013 Q 4.1520 8.2357 119.0001 58.5935 28.1092 175.7749 1014 H 5.0279 7.6828 110.4296 53.1043 32.5791 174.3480 1015 Q 4.1857 9.0274 122.3114 58.8737 28.8229 178.7711 1016 A 4.0500 7.4824 120.8716 55.1757 18.5211 179.3860 1017 S 4.2811 8.2208 111.0174 61.7224 62.5331 175.8902 1018 D 4.2983 8.0834 121.0215 57.5265 40.5236 178.8669 1019 S 4.0679 8.3012 115.4322 61.4737 62.8700 176.5721 1020 A 2.5800 7.7906 123.7696 54.5950 17.9614 179.0276 1021 Y 3.0347 8.1322 118.2804 60.7208 38.7963 178.2270 1022 Q 3.6406 8.1293 119.1708 58.7642 28.6888 178.8589 1023 F 3.8481 8.2981 121.5170 61.2191 39.4148 177.0360 1024 A 3.8787 8.3958 120.7699 54.9119 18.0650 179.5332 1025 K 3.4664 7.7509 118.2432 59.3832 31.9890 178.9499 1026 A 3.7614 7.3688 119.5968 54.8574 18.5497 179.2278 1027 A 3.8357 7.6930 119.4930 55.2106 18.4602 179.6099 1028 L 3.8866 7.7580 117.6958 58.2226 41.4242 179.9003 1029 E 4.0884 7.9627 116.6620 58.7625 29.4237 178.6465 1030 K 4.2629 7.6624 116.5381 56.5866 32.4997 177.6573 1031 G 3.9787 8.0178 108.2145 45.0651 0.0000 173.6258 1032 H 4.6691 7.6720 115.9563 55.5904 30.1028 173.9958 1033 E 4.7164 8.9545 120.9947 54.7697 32.0991 174.9731 1034 I 4.7435 8.3508 127.3154 59.7277 37.5176 174.9193 1035 F 4.3780 9.1851 130.7901 61.0361 39.8466 175.3543 1036 R 4.6551 7.9193 115.2479 55.3869 33.6363 173.3220 1037 V 4.5072 8.6204 125.6386 61.2250 33.7245 173.8603 1038 F 5.1116 9.0654 131.2420 56.4139 42.0484 173.8402 1039 F 5.1977 8.7596 125.3506 56.1557 40.9811 174.3492 1040 Y 5.2950 8.8592 123.8773 56.3548 42.7099 175.3433 1041 H 3.5677 7.8235 118.0768 56.8612 26.9221 177.3216 1042 D 4.5147 8.7000 123.4940 57.0974 41.2164 178.2500 1043 G 4.4240 8.4460 109.4769 47.9124 0.0000 176.0928 1044 V 3.4131 7.6608 113.5702 64.2270 31.6457 177.6088 1045 N 4.5073 8.1437 114.4275 54.3726 37.9780 174.9506 1046 N 4.6043 7.7720 115.6816 52.9768 38.7197 175.5867 1047 S 2.7900 7.0794 111.4554 57.3017 63.6123 173.8581 1048 T 4.4273 7.3214 115.6538 62.0477 67.7674 174.0834 1049 R 4.5428 8.9269 122.7021 56.2250 29.7791 176.4841 1050 L 4.5193 7.7825 117.7325 55.0025 41.7230 176.5702 1051 T 4.3916 7.5874 109.0434 61.4846 70.2670 175.0811 1052 T 4.6334 7.8123 118.2040 61.3250 69.1149 172.0558 1053 P 4.2444 0.0000 0.0000 61.1646 32.9317 175.0607 1054 P 4.2419 0.0000 0.0000 63.2474 31.6346 177.9231 1055 Q 4.0794 8.6831 121.7827 58.6171 28.8509 176.7689 1056 D 4.6527 7.9964 115.1848 53.3415 39.7467 174.7508 1057 D 4.9689 7.6667 118.3702 51.8959 44.5837 175.0717 1058 R 4.0647 8.4420 117.9578 56.5214 29.9998 176.3944 1059 H 4.8071 8.3531 119.8963 54.0458 29.6019 174.5270 1060 I 3.4655 8.3994 126.4151 64.1074 37.1608 177.6727 1061 V 3.7802 7.9005 117.9387 66.4238 31.4299 177.6844 1062 N 4.4178 8.4003 115.5840 56.1326 38.3001 177.4674 1063 R 3.9382 8.3086 119.9781 59.2077 30.0708 179.0661 1064 W 4.4648 8.1636 118.3292 59.7895 28.9472 178.4926 1065 A 3.9099 8.2654 120.7547 55.1827 17.7814 179.6162 1066 E 3.9522 8.5555 117.4155 59.4519 29.5631 179.3253 1067 L 4.1676 8.3655 120.2945 58.0838 42.2129 178.7962 1068 A 4.0877 8.4571 120.9767 55.1229 18.1100 179.0160 1069 E 3.8600 8.2279 116.8628 59.5420 29.7923 178.4105 1070 Q 4.0217 8.2209 118.2247 59.2209 29.1772 177.3312 1071 Y 4.4856 7.9947 113.9306 56.3533 39.2296 175.6575 1072 E 3.8389 8.1387 118.2180 57.3688 27.6043 175.1085 1073 L 4.2079 7.6064 116.6425 54.3871 43.2570 176.9745 1074 D 4.5864 8.4589 122.3363 53.6265 42.3688 174.9259 1075 M 4.9419 8.4514 127.0006 53.8106 34.1829 175.1423 1076 V 4.7562 8.9895 124.9510 61.0819 34.4724 174.4935 1077 V 4.4557 8.3420 127.2431 60.7025 33.9309 174.2651 1078 C 4.6660 8.2659 129.0190 59.7358 32.1743 174.4360 1079 V 3.5976 9.0662 127.3218 65.1375 31.1804 178.3309 1080 A 4.0262 8.1873 121.5258 54.6426 18.0626 179.3221 1081 A 3.9318 8.0915 118.4469 55.1514 18.5072 179.5961 1082 A 3.9321 8.2068 119.5459 55.2626 18.1954 179.9084 1083 Q 3.9396 8.3001 116.2951 59.1966 28.8918 178.7585 1084 R 4.0239 7.8255 118.1371 58.5744 30.1870 177.7399 1085 R 4.5090 7.5989 115.7820 55.2884 31.2334 176.9429 1086 G 4.0701 8.2792 108.0290 45.2389 0.0000 173.2321 1087 I 4.3011 7.4921 120.5875 59.8780 38.0202 175.4074 1088 V 4.5172 9.4667 128.0652 60.9944 34.7330 174.2682 1089 D 5.0593 8.3551 126.1011 51.1438 42.8536 175.3459 1090 E 3.8731 9.2218 117.0571 60.1281 29.0675 178.6122 1091 G 3.8658 8.1017 104.1040 48.3823 0.0000 174.5795 1092 E 3.9417 9.3150 121.1225 58.8940 29.5959 179.3676 1093 A 3.9695 8.4022 120.8478 55.3672 17.8630 179.7421 1094 S 3.9956 8.1355 111.2024 61.7411 62.3749 176.6378 1095 R 3.9950 8.0824 119.6279 58.8835 29.9498 178.0018 1096 N 4.6845 8.7674 113.6636 52.0043 39.9147 174.8387 1097 G 3.8405 7.3890 107.2318 46.3927 0.0000 173.7057 1098 K 4.4653 8.1479 117.2966 55.1798 34.0875 176.9855 1099 D 4.6821 8.3075 119.0373 52.7145 39.5811 175.5067 1100 A 4.3458 7.0552 120.6224 52.4878 21.5171 175.5292 1101 T 4.7908 8.2753 109.0870 60.1730 71.9398 173.8383 1102 N 4.9223 8.8035 114.8734 52.3737 39.9326 174.4967 1103 I 4.0818 7.5384 119.4504 61.1967 38.8898 174.2556 1104 H 4.5974 9.2635 126.9698 54.5154 30.3822 174.4493 1105 P 4.2611 0.0000 0.0000 65.6829 30.8742 177.2218 1106 K 4.1898 8.5470 116.2376 57.5297 32.4123 176.3442 1107 F 5.1828 8.4581 118.1870 55.4328 41.5129 175.2022 1108 R 4.7806 8.6279 117.7658 54.4853 32.5684 174.5374 1109 I 4.6286 8.2894 121.8691 61.2060 38.7690 174.7740 1110 S 4.5121 8.5360 119.3206 57.7151 66.6414 173.8945 1111 G 4.2280 8.5880 109.8591 44.6007 0.0000 174.4604 1112 L 4.3037 8.5003 120.4872 56.8422 42.0925 178.5721 1113 G 3.7827 7.9765 104.4230 47.0225 0.0000 175.2485 1114 Q 4.1802 8.2183 120.6205 58.2081 28.8061 178.1421 1115 L 3.4498 7.1651 121.2659 57.9055 42.0179 179.0447 1116 V 3.4542 7.3867 117.7027 65.6637 31.5324 177.1577 1117 E 3.8732 8.2398 118.9407 59.3068 29.4481 178.6888 1118 A 4.1100 8.0162 120.1998 55.3846 18.3252 179.1763 1119 A 3.9555 7.7388 117.6997 55.6767 18.3476 179.6998 1120 I 3.7819 7.2830 116.7528 64.5417 37.3193 178.3364 1121 Q 3.8219 7.4492 117.1476 57.5064 28.7276 176.9187 1122 A 4.1685 7.1979 121.6676 51.6765 19.3815 177.0182 1123 D 4.5000 8.6271 120.6476 56.5368 41.7449 177.6495 1124 R 4.5773 7.6523 116.1925 54.1210 34.2621 174.5483 1125 L 4.7270 8.6885 125.5612 53.5633 43.3052 174.8738 1126 V 4.0040 8.5260 127.1774 61.1869 33.0837 174.4359 1127 V 4.7373 7.9934 127.6968 61.0704 33.7306 174.5293 1128 F 4.6688 9.2399 126.6496 55.9723 41.0142 173.6057 1129 G 4.0602 8.3369 116.8314 44.8291 0.0000 171.2371 1130 D 4.4552 8.7473 120.7210 54.5200 41.2684 176.9048 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 1001 M 8.16 4.50 0.00 1.87 1.92 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.00 0.00 1002 K 9.99 4.83 0.00 1.75 1.68 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.56 1.48 7.81 1003 F 9.76 5.44 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 1004 A 9.07 5.14 1.35 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 0.00 0.00 0.00 1005 L 8.84 5.21 0.00 1.67 1.74 1.15 0.83 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 1006 Q 8.98 5.06 0.00 2.14 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.74 0.00 0.00 0.00 0.00 0.00 2.55 2.42 0.00 1007 I 8.57 5.02 1.39 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.47 1.06 0.00 0.00 1008 N 9.15 5.27 0.00 2.71 3.03 0.00 0.00 6.87 7.83 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 1009 E 8.13 4.83 0.00 1.92 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 2.30 2.12 0.00 1010 G 8.57 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 0.00 0.00 0.00 0.00 1011 P 0.00 4.53 0.00 2.07 2.24 0.00 3.90 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 2.12 2.15 0.00 1012 Y 8.33 4.08 0.00 3.18 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1013 Q 8.24 4.15 0.00 2.05 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.28 0.00 1014 H 7.68 5.03 0.00 3.28 3.18 0.00 5.87 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1015 Q 9.03 4.19 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.64 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 1016 A 7.48 4.05 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1017 S 8.22 4.28 0.00 4.12 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 1018 D 8.08 4.30 0.00 2.87 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 1019 S 8.30 4.07 0.00 4.06 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 1020 A 7.79 2.58 1.07 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 0.00 0.00 1021 Y 8.13 3.03 0.00 1.78 2.77 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 1022 Q 8.13 3.64 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.58 0.00 0.00 0.00 0.00 0.00 2.62 2.52 0.00 1023 F 8.30 3.85 0.00 3.24 3.09 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 1024 A 8.40 3.88 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 1025 K 7.75 3.47 0.00 0.95 1.36 0.00 1.62 0.00 0.00 1.44 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.28 7.81 1026 A 7.37 3.76 1.11 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 0.00 0.00 1027 A 7.69 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1028 L 7.76 3.89 0.00 1.18 0.39 0.38 0.76 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 1029 E 7.96 4.09 0.00 1.98 1.99 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 2.40 2.40 0.00 1030 K 7.66 4.26 0.00 1.92 1.79 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.49 7.81 1031 G 8.02 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 0.00 0.00 0.00 1032 H 7.67 4.67 0.00 3.36 3.51 0.00 5.67 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1033 E 8.95 4.72 0.00 2.14 1.87 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 2.35 2.36 0.00 1034 I 8.35 4.74 1.95 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 1.40 0.83 1.04 0.00 0.00 1035 F 9.19 4.38 0.00 3.05 3.34 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 1036 R 7.92 4.66 0.00 1.67 1.87 0.00 3.48 0.00 0.00 3.47 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 1037 V 8.62 4.51 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.94 0.00 0.00 1038 F 9.07 5.11 0.00 3.13 2.82 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 1039 F 8.76 5.20 0.00 2.81 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1040 Y 8.86 5.30 0.00 3.24 2.85 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 0.00 0.00 0.00 1041 H 7.82 3.57 0.00 3.58 2.99 0.00 5.67 0.00 0.00 0.00 0.00 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1042 D 8.70 4.51 0.00 2.81 2.81 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 1043 G 8.45 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.66 3.41 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 0.88 0.00 0.00 0.94 0.00 0.00 1045 N 8.14 4.51 0.00 2.83 2.81 0.00 0.00 6.95 8.49 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 1046 N 7.77 4.60 0.00 2.01 2.50 0.00 0.00 6.70 7.29 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 1047 S 7.08 2.79 0.00 3.11 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.32 4.43 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 1.20 0.00 0.00 1049 R 8.93 4.54 0.00 1.91 2.02 0.00 3.09 0.00 0.00 3.20 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.57 0.00 1050 L 7.78 4.52 0.00 1.65 1.71 0.90 0.89 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 1051 T 7.59 4.39 4.22 0.00 0.00 0.00 0.00 0.00 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 1052 T 7.81 4.63 4.21 0.00 0.00 0.00 0.00 0.00 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 1053 P 0.00 4.24 0.00 2.00 1.83 0.00 3.63 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.98 0.00 1054 P 0.00 4.24 0.00 2.13 1.96 0.00 3.40 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 2.00 2.04 0.00 1055 Q 8.68 4.08 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.18 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 1056 D 8.00 4.65 0.00 2.78 2.77 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 D 7.67 4.97 0.00 2.66 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 1058 R 8.44 4.06 0.00 1.89 1.90 0.00 3.23 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.44 0.00 1059 H 8.35 4.81 0.00 3.19 3.18 0.00 5.70 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1060 I 8.40 3.47 1.66 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.20 0.98 0.00 0.00 1061 V 7.90 3.78 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 1.23 0.00 0.00 1.02 0.00 0.00 1062 N 8.40 4.42 0.00 2.58 2.78 0.00 0.00 7.03 7.66 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 1063 R 8.31 3.94 0.00 1.75 1.05 0.00 2.21 0.00 0.00 2.86 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.40 0.00 1064 W 8.16 4.46 0.00 3.72 3.23 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 1065 A 8.27 3.91 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 1066 E 8.56 3.95 0.00 2.20 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 0.00 2.35 2.63 0.00 1067 L 8.37 4.17 0.00 2.07 1.97 1.01 0.76 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 1068 A 8.46 4.09 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1069 E 8.23 3.86 0.00 2.06 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 0.00 2.34 2.37 0.00 1070 Q 8.22 4.02 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.90 0.00 0.00 0.00 0.00 0.00 1.81 2.23 0.00 1071 Y 7.99 4.49 0.00 2.98 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1072 E 8.14 3.84 0.00 2.13 1.99 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 2.27 2.27 0.00 1073 L 7.61 4.21 0.00 1.68 1.64 1.10 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 1074 D 8.46 4.59 0.00 2.68 2.41 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.45 4.94 0.00 1.96 1.59 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 1076 V 8.99 4.76 2.09 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 0.86 0.00 0.00 0.98 0.00 0.00 1077 V 8.34 4.46 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 0.76 0.00 0.00 0.76 0.00 0.00 1078 C 8.27 4.67 0.00 3.54 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 1079 V 9.07 3.60 2.11 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 0.99 0.00 0.00 0.95 0.00 0.00 1080 A 8.19 4.03 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.09 3.93 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.21 3.93 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.30 3.94 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.95 0.00 0.00 0.00 0.00 0.00 2.51 2.57 0.00 1084 R 7.83 4.02 0.00 2.02 1.94 0.00 3.21 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 1085 R 7.60 4.51 0.00 1.79 1.92 0.00 3.30 0.00 0.00 3.20 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 1086 G 8.28 4.07 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 0.00 0.00 0.00 1087 I 7.49 4.30 1.80 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.88 0.79 0.00 0.00 1088 V 9.47 4.52 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 1.00 0.00 0.00 0.91 0.00 0.00 1089 D 8.36 5.06 0.00 2.76 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 1090 E 9.22 3.87 0.00 2.09 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 2.39 2.47 0.00 1091 G 8.10 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 0.00 0.00 0.00 1092 E 9.32 3.94 0.00 2.21 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 2.44 2.49 0.00 1093 A 8.40 3.97 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1094 S 8.14 4.00 0.00 3.92 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 1095 R 8.08 3.99 0.00 1.81 1.98 0.00 3.21 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.96 0.00 1096 N 8.77 4.68 0.00 2.72 2.85 0.00 0.00 7.02 7.92 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 1097 G 7.39 3.84 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 0.00 0.00 0.00 1098 K 8.15 4.47 0.00 1.72 1.73 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.50 7.81 1099 D 8.31 4.68 0.00 2.75 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 1100 A 7.06 4.35 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 1101 T 8.28 4.79 4.44 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 1.23 0.00 0.00 1102 N 8.80 4.92 0.00 2.81 2.98 0.00 0.00 7.03 7.28 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 1103 I 7.54 4.08 1.93 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 1.32 0.83 0.92 0.00 0.00 1104 H 9.26 4.60 0.00 3.20 3.40 0.00 5.66 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1105 P 0.00 4.26 0.00 2.22 2.20 0.00 3.46 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.93 0.00 1106 K 8.55 4.19 0.00 1.78 1.57 0.00 1.64 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.55 7.81 1107 F 8.46 5.18 0.00 2.81 2.81 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 1108 R 8.63 4.78 0.00 1.87 2.00 0.00 2.77 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 1109 I 8.29 4.63 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.56 0.96 0.00 0.00 1110 S 8.54 4.51 0.00 3.93 3.76 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 1111 G 8.59 4.23 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 0.00 1112 L 8.50 4.30 0.00 1.83 1.66 0.50 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 1113 G 7.98 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1114 Q 8.22 4.18 0.00 2.54 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.78 0.00 0.00 0.00 0.00 0.00 2.55 2.62 0.00 1115 L 7.17 3.45 0.00 0.27 0.85 0.62 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 1116 V 7.39 3.45 1.99 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 0.91 0.00 0.00 0.79 0.00 0.00 1117 E 8.24 3.87 0.00 2.35 2.16 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 2.35 2.56 0.00 1118 A 8.02 4.11 1.58 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 0.00 0.00 1119 A 7.74 3.96 1.29 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 0.00 0.00 0.00 1120 I 7.28 3.78 1.95 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.74 0.84 0.00 0.00 1121 Q 7.45 3.82 0.00 0.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.95 0.00 0.00 0.00 0.00 0.00 2.45 2.16 0.00 1122 A 7.20 4.17 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 1123 D 8.63 4.50 0.00 2.36 2.57 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 1124 R 7.65 4.58 0.00 1.62 1.93 0.00 3.28 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.46 0.00 1125 L 8.69 4.73 0.00 1.58 1.55 0.98 0.87 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 1126 V 8.53 4.00 1.82 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 -0.08 0.00 0.00 0.82 0.00 0.00 1127 V 7.99 4.74 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 0.88 0.00 0.00 0.87 0.00 0.00 1128 F 9.24 4.67 0.00 3.06 2.97 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 1129 G 8.34 4.06 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 0.00 0.00 0.00 1130 D 8.75 4.46 0.00 2.70 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00