NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 904 E 4.3330 8.5445 116.7568 55.8367 32.3888 176.1986 905 N 4.4220 7.8780 116.6294 50.8768 38.3551 175.3485 906 Y 4.5209 8.7375 124.8460 56.1113 39.3858 174.6055 907 N 4.7686 7.8364 127.3283 50.7545 39.0382 172.4053 908 P 4.0494 0.0000 0.0000 61.8802 31.0891 175.2079 909 P 4.2345 0.0000 0.0000 63.2224 31.8826 177.4409 910 Q 4.2173 8.7695 121.4111 57.8101 29.1482 175.5299 911 E 5.0612 7.5070 117.8025 53.2797 32.5701 173.2957 912 P 4.4461 0.0000 0.0000 62.3257 32.1300 176.1667 913 W 4.6498 8.8951 132.5371 59.2877 30.9251 175.9019 914 L 4.2483 7.7356 117.4442 53.6892 44.4693 174.8450 915 V 4.0911 8.3187 126.4474 61.8036 32.1674 174.1830 916 I 4.5577 8.0778 128.9806 59.7998 37.0234 175.7534 917 L 4.2802 8.5549 128.6416 57.3317 41.9738 177.5629 918 Y 4.7912 7.6334 116.5714 56.0782 42.0440 173.7854 919 Q 4.7111 7.2027 123.0014 55.4309 32.4772 172.9018 920 D 4.6650 8.6096 126.3183 52.6496 41.1514 175.1324 921 D 4.5333 9.0554 116.2028 57.4414 41.6585 176.8863 922 H 4.7639 9.6529 116.4125 57.0581 30.4165 173.7801 923 I 4.9237 7.5622 113.6120 58.5093 39.5350 173.4104 *925 V 4.1012 8.1453 118.1173 63.1826 32.7797 175.7100 926 V 4.6972 8.5504 127.4821 61.2166 34.6643 174.1419 927 N 4.9797 8.7805 126.5423 51.9067 38.6068 173.6867 928 K 4.2612 8.9134 128.3757 55.3427 33.7391 174.5492 929 P 4.8854 0.0000 0.0000 62.0357 33.3305 175.3285 930 S 4.5834 7.8935 114.9607 58.9487 62.8760 174.0822 931 G 4.0406 9.0763 115.2622 44.9573 0.0000 172.9217 932 L 4.6430 6.9583 120.8741 52.8201 43.5280 176.2018 933 L 4.2499 8.8425 126.3220 55.0514 42.3374 178.5239 934 S 4.1571 8.6185 117.5560 60.9040 63.2275 175.0076 935 V 4.7211 7.2552 110.6141 58.1748 35.0946 174.1202 936 P 4.4557 0.0000 0.0000 63.3022 31.8163 176.2724 937 G 3.8867 9.1923 111.1001 45.0729 0.0000 174.0636 938 R 4.1242 8.6710 119.5998 59.2517 30.3020 177.1131 939 L 4.1837 7.7928 119.8831 54.9322 42.2571 178.7527 940 E 3.9567 8.7729 119.9982 59.5257 29.8280 178.8479 941 E 4.5041 8.0373 110.8931 57.3418 30.0182 180.3606 942 H 5.1597 8.4375 118.7104 57.2251 30.0677 176.7566 943 K 3.8024 8.4713 123.2867 56.9926 32.0768 180.0702 944 D 4.4570 8.1778 118.8317 54.6393 41.5649 175.2062 945 S 4.6423 8.5824 119.6662 57.6960 66.1584 176.4793 946 V 3.3322 8.2618 116.7527 63.5908 30.0610 177.6718 *948 T 4.3607 8.0088 110.5569 61.2626 70.5897 176.1605 949 R 3.8912 7.8700 121.1620 59.0075 29.7542 179.0940 950 I 3.9211 7.7808 119.7279 64.4544 36.9632 178.0297 951 Q 4.5836 7.5147 117.3490 56.9479 28.6395 177.9383 952 R 4.1872 7.9017 120.2850 58.4844 30.2679 176.2980 953 D 4.8553 8.3298 114.9510 54.0191 43.6129 175.4645 954 Y 4.7018 8.1752 116.5427 55.2795 38.1824 173.1356 955 P 4.3072 0.0000 0.0000 64.5594 32.4878 177.9801 956 Q 3.9542 8.8873 117.3989 54.7917 25.9168 174.3799 957 A 4.6335 7.6707 118.9194 52.7519 19.7117 177.1001 958 E 4.8619 8.8597 120.2012 54.2727 33.8499 175.7653 959 S 4.6293 8.7765 117.6944 58.6376 63.6084 174.1676 960 V 4.2579 8.4317 113.4530 62.1835 33.8168 175.0218 961 H 4.6376 7.6689 112.3588 54.2810 31.3170 172.1751 962 R 4.6129 7.9251 116.7815 54.4752 33.8817 174.7386 963 L 4.9816 8.1259 119.9808 52.7716 45.4945 178.9667 964 D 4.7904 8.1492 120.3117 54.0463 40.1710 179.7715 *966 A 4.3498 8.5747 128.3286 53.0338 20.5326 176.9064 967 T 4.4396 7.7092 112.1488 63.5164 70.0149 174.1751 968 S 4.8877 8.8693 117.0716 57.0387 67.0945 172.7213 969 G 3.4015 8.3231 105.8988 43.4252 0.0000 172.8504 970 V 4.0837 7.8629 120.9026 63.0419 32.1012 176.3428 971 I 4.6957 8.5137 127.8159 59.5957 41.5566 173.6326 972 V 4.3415 8.8330 129.2955 60.5402 32.5198 175.4090 973 V 4.5375 8.2055 122.9560 60.9596 34.8941 174.2970 974 A 4.4730 8.7054 129.7531 51.5249 19.7167 178.0560 975 L 4.5418 8.9037 120.7435 55.0808 43.6232 177.7556 976 T 4.7345 7.4655 108.3442 59.1197 72.6183 174.5799 977 K 3.8798 8.6897 123.0009 59.7245 32.1413 178.9906 978 A 3.9850 7.9813 120.1912 55.1665 18.4603 179.1413 979 A 3.9492 7.8781 118.8904 55.3723 18.3744 178.9405 980 E 3.8567 8.0437 117.1336 59.9321 29.6362 179.2010 981 R 3.9193 7.8221 117.6114 59.5315 30.2478 178.7944 982 E 3.9884 8.2099 118.8144 59.1381 29.6256 178.9108 983 L 4.0326 8.6351 119.4563 57.8339 41.7513 179.6376 984 K 4.2259 8.8662 118.7117 59.1781 31.7964 179.5271 985 R 3.8981 8.0765 119.3321 59.4052 29.9816 178.2613 986 Q 4.2020 7.9332 119.2208 58.5024 28.7202 179.3050 987 F 4.0494 8.2572 118.3918 60.6067 38.7497 177.7090 988 R 4.0560 8.2065 117.2403 58.9833 29.8960 177.3679 989 E 4.3797 8.1689 115.7600 55.0916 29.9498 176.0213 990 R 3.9152 8.1291 117.3885 57.3776 28.2575 178.0069 991 E 4.0806 8.5773 119.2353 58.7304 29.8819 175.9722 992 P 4.4003 0.0000 0.0000 62.8741 32.2087 175.5722 993 K 4.6162 8.9058 121.2944 54.7225 34.5431 175.1663 994 K 4.9450 8.7371 124.2277 54.5944 35.1215 174.8684 995 Q 4.9271 8.6998 124.8900 54.6641 32.3372 173.4706 996 Y 5.2228 9.7101 123.4647 56.1393 42.4192 174.7403 997 V 5.1781 8.7641 119.0327 60.4808 35.0470 174.4281 998 A 5.6606 9.1587 122.9336 51.7335 23.4338 174.9844 999 R 5.1155 8.3905 117.6370 54.5779 33.2517 175.8371 1000 V 4.9463 8.7887 116.4901 58.8754 35.8794 174.2872 1001 W 4.5086 9.2093 132.4830 58.2485 31.7585 177.4329 1002 G 3.5863 8.3389 116.2048 42.7943 0.0000 171.9346 1003 H 4.9827 8.2850 116.0222 53.0240 29.8098 172.3714 1004 P 4.3149 0.0000 0.0000 62.4884 31.9051 176.0194 1005 S 4.6758 8.4270 114.9453 55.6783 65.2150 171.8091 1006 P 4.5405 0.0000 0.0000 62.4698 31.8596 176.2391 1007 A 4.7665 8.5332 120.1451 53.8389 18.6539 177.0841 1008 E 4.7029 7.7011 115.0066 54.1964 33.0560 174.9473 1009 G 3.6104 6.4471 110.8003 45.3691 0.0000 171.1957 1010 L 5.1988 8.3667 119.9967 53.1936 45.4624 176.5935 1011 V 4.3204 9.2617 125.5025 61.3404 33.7976 173.8150 1012 D 5.4449 8.6732 127.1853 50.9745 40.4991 173.1640 1013 L 4.7753 7.8155 122.4108 51.4367 46.2127 173.7810 1014 P 4.6860 0.0000 0.0000 62.8349 32.6238 175.2344 1015 L 5.2382 8.5505 121.7126 53.4522 45.9692 175.0832 1016 I 4.3931 8.0349 119.0319 60.0726 41.9608 173.4200 1017 C 4.5319 8.5752 126.0706 59.1512 32.4107 173.8929 1018 D 4.6051 8.9828 130.1976 54.9080 39.1701 178.2162 *1019 W 4.5001 7.1389 123.4714 58.4384 29.6780 177.1276 1020 P 4.3915 0.0000 0.0000 64.7520 31.4880 176.7552 1021 N 4.8071 9.2572 120.5461 54.0666 39.6121 176.8265 1022 R 3.5437 7.4935 121.8251 57.1204 28.4131 179.7030 1023 P 4.3533 0.0000 0.0000 65.8325 31.5986 176.5632 1024 K 3.8908 7.1127 117.7646 57.2346 32.8304 175.8995 1025 Q 5.2886 9.5757 121.5982 54.3899 32.9494 174.1984 1026 K 4.5014 8.5789 117.6640 55.8629 36.2865 175.1591 1027 V 4.1477 8.2482 121.7018 63.1000 32.5359 175.3166 1028 C 4.5493 8.6004 128.3882 58.7300 33.6657 174.0177 1029 Y 4.0698 8.9754 124.7347 59.8159 38.0802 177.0054 1030 E 4.2497 8.3044 120.5319 58.3892 30.0641 176.8907 1031 T 4.6340 7.7150 103.8884 60.8675 69.9972 173.5961 1032 G 3.8869 8.1397 109.3077 46.0774 0.0000 173.8241 1033 K 4.5826 9.4104 123.2748 54.1740 33.6840 174.6671 1034 P 4.4611 0.0000 0.0000 63.7790 31.4437 175.3817 1035 A 4.8064 8.4129 124.0353 50.1478 22.8114 174.5669 1036 Q 4.9340 9.0989 120.2409 54.3865 32.7881 174.6981 1037 T 4.9398 9.1919 120.1504 61.8667 72.2963 172.8418 1038 E 5.0341 9.0044 126.5497 55.5431 31.6264 175.0003 1039 Y 5.4509 8.6536 120.7464 55.6635 42.2535 173.6786 1040 E 5.0295 9.1435 121.6957 54.7895 33.4362 174.1214 1041 V 4.1391 9.1798 128.4193 62.9890 31.6040 176.0243 1042 V 4.2087 8.3520 121.0685 61.3932 32.7864 175.8403 1043 E 4.4960 7.3093 118.6189 55.6214 33.3372 173.7759 1044 Y 4.8790 8.4322 124.9563 55.9571 38.8830 175.1926 1045 A 4.3647 8.6450 127.2711 51.6625 19.1888 178.4320 1046 A 4.1185 8.4931 122.2739 53.7319 18.7238 177.7251 1047 D 4.6963 7.4478 115.2044 53.1091 40.0897 175.8987 1048 N 3.7622 8.1398 115.0289 55.4624 37.4807 172.6689 1049 T 5.1078 7.5286 104.1845 60.2600 73.3304 172.3986 1050 A 4.9392 8.6579 122.0705 50.6373 23.3057 175.0743 1051 R 4.8455 8.6503 121.1917 55.1124 31.7681 175.3995 1052 V 4.8245 9.3863 127.1653 61.0803 35.1870 174.0641 1053 V 4.6829 8.8116 127.6797 61.6728 33.1567 174.4628 1054 L 5.3715 9.1143 127.9129 53.1175 45.3284 175.9172 1055 K 5.3035 9.4636 121.8696 52.5592 34.3811 172.4919 1056 P 4.5279 0.0000 0.0000 62.7378 31.4261 176.5661 1057 I 4.0122 8.6024 126.8869 64.4983 37.2344 177.4910 1058 T 4.3783 7.8692 109.8684 60.9768 70.2312 173.8643 1059 G 4.2645 8.0776 108.0451 45.0119 0.0000 173.5073 1060 R 4.0639 7.7426 117.7085 55.1349 31.2085 176.7923 1061 S 4.2495 8.5281 115.5939 60.4976 62.7600 173.4660 1062 H 4.1182 9.0998 121.5808 56.7020 26.6113 175.9797 1063 Q 3.6701 7.8684 120.9381 59.7697 28.3931 179.2218 1064 L 3.8990 7.5806 118.1205 57.9402 41.8142 179.4540 1065 R 3.9924 7.6730 116.3095 59.1860 30.3053 178.8282 1066 V 3.3217 7.7367 118.3751 65.7156 31.4512 178.1631 1067 H 4.5352 8.2364 114.9213 55.9716 28.5075 177.1951 *1069 L 4.1366 7.9412 123.9395 55.0926 43.5260 178.6147 1070 A 4.2581 8.1213 120.1675 54.9742 18.3443 178.5316 1071 L 4.0563 7.6878 114.7375 56.2211 41.8979 178.1522 1072 G 3.9547 9.0510 107.0378 45.4085 0.0000 173.8828 1073 H 5.3670 7.3384 114.5930 51.6925 28.4118 171.3841 1074 P 4.4917 0.0000 0.0000 62.4151 33.2495 176.4719 1075 I 4.2888 8.3135 123.1757 60.9562 38.5520 175.8095 1076 L 4.1882 8.8244 127.1347 56.3185 41.9325 178.4380 1077 G 4.2597 8.7005 110.1905 45.7320 0.0000 173.2151 1078 D 4.3685 7.7214 119.7675 53.7927 40.2586 177.0253 1079 R 4.0473 8.2380 126.0533 57.8516 30.5205 177.8312 1080 F 4.7499 8.3307 116.3149 58.7842 39.7893 176.3501 1081 Y 4.6655 8.0236 113.8159 57.6021 39.6910 175.7499 1082 A 4.3111 7.9086 123.3618 51.0014 19.6937 177.9915 1083 S 4.2670 8.1073 116.3498 57.3876 65.1611 173.7006 1084 P 4.1625 0.0000 0.0000 65.8707 30.7558 178.6571 1085 E 3.8498 7.8388 115.1494 59.5213 29.6892 178.9473 1086 A 4.1923 7.1203 119.3721 54.8891 18.3903 179.5766 1087 R 3.7605 8.4091 117.5210 59.0618 31.2462 177.1698 1088 A 4.5139 7.5924 119.9320 50.4670 14.7246 176.6778 *1090 A 4.0855 7.0783 126.6392 50.6978 20.3421 176.6938 1091 P 4.3854 0.0000 0.0000 64.5958 31.7242 176.4196 1092 R 4.6084 7.3318 114.2383 53.8113 32.6355 173.9365 1093 L 4.0883 8.2748 120.6271 55.3858 43.1077 177.8878 1094 L 3.7225 8.3264 129.6847 53.1333 39.8697 175.2435 1095 L 5.4510 7.4406 121.2667 53.5596 46.3689 175.0859 1096 H 5.3243 9.6319 124.8265 54.6072 33.7342 172.2556 1097 A 3.2214 9.0186 128.5618 50.9927 17.8208 177.2057 1098 E 4.3446 8.3544 121.9379 57.8738 31.2240 175.6378 *1100 L 4.5443 7.7654 121.0391 55.9258 43.7764 175.0267 1101 T 5.0154 8.8534 123.4559 61.8690 71.2500 173.6247 1102 I 5.0131 8.1518 118.7742 59.8107 41.9076 173.1597 1103 T 4.9853 8.2012 111.4754 59.7372 70.7607 174.0557 1104 H 4.1205 9.1920 125.5066 55.9622 30.3018 174.4290 1105 P 4.2748 0.0000 0.0000 64.6236 31.5241 176.8508 1106 A 4.2604 8.2891 119.5247 52.7770 19.9616 176.8128 1107 Y 4.4922 7.7535 110.1454 56.9206 39.1383 176.9881 1108 G 4.0579 8.5044 107.7828 45.7157 0.0000 173.9147 1109 N 4.4903 7.6619 116.9935 52.1481 38.0695 175.2157 1110 S 4.9970 8.1102 115.1402 57.6147 63.4099 173.2165 *1112 T 4.0925 8.0798 118.0786 63.3632 68.8055 173.4702 1113 F 4.8965 9.0204 125.9650 55.7839 40.7162 175.7496 1114 K 5.0167 8.6377 120.7212 54.9054 36.5763 176.2103 1115 A 4.5378 8.6653 125.1799 50.1577 21.8409 174.3893 1116 P 4.2908 0.0000 0.0000 63.1032 31.9791 176.4788 1117 A 3.3425 7.9076 122.7661 52.1624 18.7448 177.3697 1118 D 4.5893 7.8387 118.2388 54.3584 41.5615 177.1174 1119 F 4.5308 6.7199 119.6588 56.8603 38.0597 174.6950 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 904 E 8.54 4.33 0.00 2.01 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 2.13 1.88 0.00 905 N 7.88 4.42 0.00 2.82 2.63 0.00 0.00 6.58 6.66 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 0.00 906 Y 8.74 4.52 0.00 2.88 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 0.00 907 N 7.84 4.77 0.00 2.58 2.58 0.00 0.00 7.24 7.69 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 0.00 908 P 0.00 4.05 0.00 1.96 1.79 0.00 3.10 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.45 0.00 909 P 0.00 4.23 0.00 2.15 1.99 0.00 3.52 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 910 Q 8.77 4.22 0.00 2.17 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.87 0.00 0.00 0.00 0.00 0.00 2.50 2.38 0.00 911 E 7.51 5.06 0.00 2.03 1.81 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 2.25 2.32 0.00 912 P 0.00 4.45 0.00 2.11 2.02 0.00 3.75 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 913 W 8.90 4.65 0.00 3.34 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 0.00 914 L 7.74 4.25 0.00 1.62 1.54 0.54 0.87 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 0.00 915 V 8.32 4.09 2.25 0.00 0.00 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 0.94 0.00 0.00 916 I 8.08 4.56 1.88 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 1.33 0.73 0.97 0.00 0.00 917 L 8.55 4.28 0.00 1.68 1.83 0.96 0.75 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 0.00 918 Y 7.63 4.79 0.00 3.11 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 919 Q 7.20 4.71 0.00 1.91 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.48 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 920 D 8.61 4.67 0.00 2.84 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 921 D 9.06 4.53 0.00 2.73 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 0.00 922 H 9.65 4.76 0.00 3.34 3.43 0.00 5.75 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 923 I 7.56 4.92 1.86 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.75 0.92 0.00 0.00 *925 V 8.15 4.10 1.74 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 0.62 0.00 0.00 -0.31 0.00 0.00 926 V 8.55 4.70 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 0.93 0.00 0.00 0.87 0.00 0.00 927 N 8.78 4.98 0.00 2.75 2.73 0.00 0.00 7.12 7.51 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 0.00 928 K 8.91 4.26 0.00 1.82 1.63 0.00 1.81 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.34 7.81 929 P 0.00 4.89 0.00 2.14 2.14 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.91 0.00 930 S 7.89 4.58 0.00 3.91 3.83 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 0.00 0.00 0.00 0.00 931 G 9.08 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 0.00 0.00 0.00 932 L 6.96 4.64 0.00 1.67 1.54 0.85 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 933 L 8.84 4.25 0.00 1.80 1.72 0.58 0.91 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1010 L 8.37 5.20 0.00 1.56 1.48 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 1011 V 9.26 4.32 2.02 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 0.61 0.00 0.00 1.00 0.00 0.00 1012 D 8.67 5.44 0.00 2.68 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1013 L 7.82 4.78 0.00 1.53 1.35 0.90 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 1014 P 0.00 4.69 0.00 2.07 2.00 0.00 2.84 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 1.37 1.27 0.00 1015 L 8.55 5.24 0.00 1.49 1.47 0.72 0.40 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 1016 I 8.03 4.39 1.94 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.94 0.88 0.00 0.00 1017 C 8.58 4.53 0.00 2.92 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 1018 D 8.98 4.61 0.00 2.69 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 *1019 W 7.14 4.50 0.00 2.57 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1020 P 0.00 4.39 0.00 2.00 2.13 0.00 3.84 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 1021 N 9.26 4.81 0.00 2.70 2.66 0.00 0.00 7.03 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1022 R 7.49 3.54 0.00 1.95 1.20 0.00 3.26 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.20 0.00 1023 P 0.00 4.35 0.00 1.85 2.09 0.00 3.26 0.00 0.00 3.51 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 1024 K 7.11 3.89 0.00 1.70 1.67 0.00 1.25 0.00 0.00 1.41 0.00 0.00 2.67 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.62 0.83 7.81 1025 Q 9.58 5.29 0.00 1.89 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.60 0.00 0.00 0.00 0.00 0.00 2.21 2.54 0.00 1026 K 8.58 4.50 0.00 1.80 1.88 0.00 1.31 0.00 0.00 1.89 0.00 0.00 2.80 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.37 7.81 1027 V 8.25 4.15 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 0.63 0.00 0.00 0.90 0.00 0.00 1028 C 8.60 4.55 0.00 3.01 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 1029 Y 8.98 4.07 0.00 2.99 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 1030 E 8.30 4.25 0.00 1.95 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 2.28 2.37 0.00 1031 T 7.72 4.63 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 1.22 0.00 0.00 1032 G 8.14 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 0.00 0.00 0.00 1033 K 9.41 4.58 0.00 1.58 1.72 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.35 7.81 1034 P 0.00 4.46 0.00 2.06 2.09 0.00 3.69 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 1.99 2.01 0.00 1035 A 8.41 4.81 1.30 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 0.00 0.00 1036 Q 9.10 4.93 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.70 0.00 0.00 0.00 0.00 0.00 2.27 2.49 0.00 1037 T 9.19 4.94 4.37 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 1.29 0.00 0.00 1038 E 9.00 5.03 0.00 2.13 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 2.25 2.25 0.00 1039 Y 8.65 5.45 0.00 2.99 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 1040 E 9.14 5.03 0.00 2.02 1.80 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 2.20 2.39 0.00 1041 V 9.18 4.14 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 -0.45 0.00 0.00 0.92 0.00 0.00 1042 V 8.35 4.21 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 0.69 0.00 0.00 0.97 0.00 0.00 1043 E 7.31 4.50 0.00 1.96 1.68 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 2.21 2.27 0.00 1044 Y 8.43 4.88 0.00 2.86 2.48 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 1045 A 8.65 4.36 1.41 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 0.00 0.00 1046 A 8.49 4.12 1.30 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 0.00 0.00 1047 D 7.45 4.70 0.00 2.69 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 1048 N 8.14 3.76 0.00 2.67 2.38 0.00 0.00 6.56 7.22 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 1049 T 7.53 5.11 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 1.26 0.00 0.00 1050 A 8.66 4.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1051 R 8.65 4.85 0.00 1.93 1.79 0.00 3.08 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 1052 V 9.39 4.82 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 1.10 0.00 0.00 0.87 0.00 0.00 1053 V 8.81 4.68 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.96 0.00 0.00 1054 L 9.11 5.37 0.00 1.67 1.55 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 1055 K 9.46 5.30 0.00 1.67 1.75 0.00 1.69 0.00 0.00 1.82 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.25 7.81 1056 P 0.00 4.53 0.00 2.21 1.97 0.00 4.14 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 2.08 1.84 0.00 1057 I 8.60 4.01 1.90 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 1.45 0.83 0.93 0.00 0.00 1058 T 7.87 4.38 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 1059 G 8.08 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 0.00 0.00 0.00 0.00 1060 R 7.74 4.06 0.00 1.86 1.79 0.00 3.18 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 1061 S 8.53 4.25 0.00 3.76 3.85 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 1062 H 9.10 4.12 0.00 3.35 3.30 0.00 5.73 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1063 Q 7.87 3.67 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.23 6.79 0.00 0.00 0.00 0.00 0.00 2.22 2.11 0.00 1064 L 7.58 3.90 0.00 1.48 1.60 0.19 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 1065 R 7.67 3.99 0.00 1.77 2.21 0.00 3.29 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 1066 V 7.74 3.32 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 0.95 0.00 0.00 0.38 0.00 0.00 1067 H 8.24 4.54 0.00 3.21 3.23 0.00 5.72 0.00 0.00 0.00 0.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *1069 L 7.94 4.14 0.00 1.80 1.85 0.98 1.15 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 1070 A 8.12 4.26 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 1071 L 7.69 4.06 0.00 1.73 1.74 0.33 1.04 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 1072 G 9.05 3.95 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 0.00 0.00 0.00 1073 H 7.34 5.37 0.00 2.99 3.35 0.00 5.77 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1074 P 0.00 4.49 0.00 2.08 2.01 0.00 3.72 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 1075 I 8.31 4.29 1.88 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 1.35 1.29 0.91 0.00 0.00 1076 L 8.82 4.19 0.00 1.60 1.58 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 1077 G 8.70 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 0.00 0.00 0.00 0.00 1078 D 7.72 4.37 0.00 2.86 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 1079 R 8.24 4.05 0.00 1.47 1.79 0.00 3.14 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 1080 F 8.33 4.75 0.00 2.59 1.73 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 1081 Y 8.02 4.67 0.00 3.10 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 1082 A 7.91 4.31 1.36 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 0.00 0.00 0.00 1083 S 8.11 4.27 0.00 3.83 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.16 0.00 2.09 2.10 0.00 3.48 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 1085 E 7.84 3.85 0.00 1.31 1.78 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 2.21 2.39 0.00 1086 A 7.12 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1087 R 8.41 3.76 0.00 1.95 1.99 0.00 3.04 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.80 0.00 1088 A 7.59 4.51 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 *1090 A 7.08 4.09 1.30 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 0.00 0.00 1091 P 0.00 4.39 0.00 2.05 2.12 0.00 3.65 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 1092 R 7.33 4.61 0.00 2.10 1.97 0.00 2.84 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 1093 L 8.27 4.09 0.00 1.53 1.75 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 1094 L 8.33 3.72 0.00 1.30 0.24 0.69 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 1095 L 7.44 5.45 0.00 1.78 1.56 1.10 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 1096 H 9.63 5.32 0.00 3.33 3.05 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1097 A 9.02 3.22 0.77 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 1098 E 8.35 4.34 0.00 2.00 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 0.00 2.28 2.08 0.00 *1100 L 7.77 4.54 0.00 1.89 1.68 1.06 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 1101 T 8.85 5.02 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 1.16 0.00 0.00 1102 I 8.15 5.01 1.94 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 1.56 0.86 0.79 0.00 0.00 1103 T 8.20 4.99 4.39 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 1.18 0.00 0.00 1104 H 9.19 4.12 0.00 3.33 3.43 0.00 5.59 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 1105 P 0.00 4.27 0.00 2.10 2.12 0.00 3.50 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 1106 A 8.29 4.26 0.46 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 1107 Y 7.75 4.49 0.00 3.18 2.93 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 0.00 0.00 0.00 1108 G 8.50 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 1109 N 7.66 4.49 0.00 2.91 2.96 0.00 0.00 6.60 7.52 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 1110 S 8.11 5.00 0.00 3.82 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 *1112 T 8.08 4.09 4.10 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 0.00 0.00 1.16 0.00 0.00 1113 F 9.02 4.90 0.00 2.80 2.92 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 1114 K 8.64 5.02 0.00 1.58 1.65 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.40 7.81 1115 A 8.67 4.54 1.24 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 0.00 0.00 0.00 1116 P 0.00 4.29 0.00 2.10 2.02 0.00 3.76 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 1.93 1.93 0.00 1117 A 7.91 3.34 0.36 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 0.00 0.00 0.00 1118 D 7.84 4.59 0.00 2.69 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 F 6.72 4.53 0.00 3.06 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 * Residues marked with a * may have inaccurate shift predictions.