NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 Y 4.6427 8.1444 121.6897 57.4818 39.9949 174.0097 0 K 4.1524 7.1452 125.6714 53.4219 35.1686 173.1566 1 D 4.3259 8.7582 124.4906 53.0307 42.5881 173.3528 2 I 4.3495 8.0542 119.9452 59.7092 38.5540 175.5052 3 Q 4.3923 8.7072 125.6311 55.9006 29.9744 174.9700 4 M 5.3204 8.7815 123.1758 53.8284 35.0467 174.9516 5 T 4.7811 9.1725 112.7251 60.3443 72.5846 172.9210 6 Q 4.9016 8.6777 122.9523 53.5392 29.4180 175.6005 7 T 3.9536 8.6312 113.6478 64.3148 68.9275 175.0235 8 T 4.3420 7.2497 119.4727 62.2401 68.1834 174.6144 9 S 4.7318 8.7989 122.0441 59.1823 64.5329 173.9303 10 S 5.1133 7.6860 113.4992 57.3038 65.5465 173.8255 11 L 4.8821 9.3352 122.0829 52.9850 45.6399 175.2852 12 S 5.1291 8.7273 116.6079 56.6162 64.7195 172.6095 13 A 4.7591 9.0164 127.7228 51.0526 23.4602 174.2375 14 S 5.0597 9.3909 114.2416 56.3358 66.2008 174.7510 15 L 4.1772 8.4071 122.0408 56.8093 41.8415 177.7588 16 G 3.9605 9.0877 111.8411 45.2817 0.0000 173.3278 17 D 4.4700 7.8207 119.4008 54.2150 42.5394 175.4046 18 R 4.7610 8.3140 120.5471 55.1206 31.0799 175.2164 19 V 4.3705 8.4118 127.2202 61.4435 34.0913 174.5166 20 T 4.9063 8.2321 122.2966 61.6384 71.9024 173.1975 21 V 4.3344 8.4637 126.0275 61.2354 33.8139 174.5829 22 S 5.4730 8.7795 123.3815 57.4916 65.4070 173.9832 23 C 5.2897 9.2680 121.3386 55.4891 46.2118 172.8796 24 R 5.3685 9.2488 123.4101 54.5031 33.5063 174.2409 25 A 5.2719 8.9181 125.1908 50.2669 21.2324 178.0439 26 S 4.2277 8.8504 115.1819 60.6195 63.5586 173.8734 27 Q 4.5138 7.5763 116.8923 54.5376 31.3752 173.3982 28 D 4.5501 8.7175 118.2231 55.2626 41.4385 175.9221 29 I 4.3656 8.6180 118.4469 59.7385 38.0274 175.8323 30 R 3.7071 9.6012 118.4082 57.9262 28.0276 177.1457 31 N 4.4290 8.3074 111.9728 54.0671 37.9479 174.6536 32 Y 4.5650 7.4922 117.8414 56.7387 36.5817 172.6722 33 L 4.7186 7.3114 121.9295 53.0147 45.6773 174.6371 34 N 5.5303 9.0386 123.6824 51.2918 42.2009 173.6304 35 W 5.5478 8.9696 120.4052 55.3113 32.6410 174.3338 36 Y 5.3452 9.6962 121.2433 56.2295 41.7805 174.1855 37 Q 4.4913 9.0069 123.3906 54.2850 31.9102 173.8650 38 Q 4.6741 8.9010 128.8176 54.2135 30.6303 175.5155 39 K 4.4688 8.6702 126.7185 55.3295 32.9121 176.5592 40 P 4.2679 0.0000 0.0000 65.7872 31.2099 177.5375 41 D 4.5308 8.0009 114.6396 53.7129 39.4108 176.9498 42 G 4.0485 8.1307 109.6178 45.6156 0.0000 174.2273 43 T 4.1117 8.3296 115.0921 62.1165 68.6973 173.0375 44 V 4.5297 7.9881 126.3232 60.5904 33.8237 174.5919 45 K 4.6366 8.6101 126.8509 54.7561 35.6137 175.0048 46 F 4.7783 9.1098 126.1225 58.7677 39.6019 173.9016 47 L 4.3845 9.3496 126.1237 55.9885 43.6979 176.6305 48 I 5.0326 7.6178 118.1233 59.5669 41.4305 173.5839 49 Y 5.3212 9.0819 126.9003 56.1371 41.8236 174.3087 50 Y 3.5037 8.0597 123.2477 57.7527 37.7354 170.8165 51 T 3.9261 8.7018 126.2140 64.2906 68.2403 174.5348 52 S 4.6232 7.6724 109.1863 57.3903 64.6187 173.9390 53 R 4.3010 8.3499 121.9304 55.5301 30.1636 175.8227 54 L 4.4646 8.3743 124.6260 54.7998 42.4832 177.4572 55 Q 4.3019 8.6262 122.4320 54.0664 30.4424 173.8235 56 P 4.2885 0.0000 0.0000 64.9477 31.4041 175.5323 57 G 4.0175 8.8903 109.4307 45.4661 0.0000 174.0139 58 V 3.5348 7.2185 120.0131 61.5286 31.9829 173.9823 59 P 4.3959 0.0000 0.0000 62.9132 31.5023 177.2142 60 S 4.2665 8.7141 115.2924 60.8189 62.5854 175.1292 61 R 4.1220 8.0387 115.9479 58.3029 30.2598 176.2334 62 F 4.9561 8.2721 119.5337 56.7882 40.3354 175.4863 63 S 4.6755 8.9623 116.2871 57.0086 66.5385 173.0674 64 G 5.0140 8.6054 108.9421 44.0562 0.0000 172.2585 65 S 4.8247 9.8334 118.4153 56.6670 68.0289 172.7489 66 G 4.1574 8.2470 106.4313 43.3874 0.0000 172.4022 67 S 4.4621 7.4928 113.1391 58.2322 67.5526 180.5404 68 G 3.9389 8.2141 115.6371 47.0724 0.0000 176.7458 69 T 4.6588 8.7870 118.0282 61.4185 71.6025 172.7975 70 D 5.3632 7.5243 122.4070 52.9509 42.8823 175.3062 71 Y 5.2888 9.2370 120.6072 56.4113 42.7233 174.5150 72 S 5.3981 9.4890 115.6135 56.8488 67.2498 172.2919 73 L 4.6151 8.1609 123.5633 53.3715 44.4002 175.0443 74 T 4.8092 8.9353 122.5841 61.6423 72.0043 172.9930 75 I 4.2721 8.5083 126.8337 59.4453 39.5517 174.4362 76 N 4.6180 8.5907 125.3587 52.4242 39.6252 175.3864 77 N 4.1671 8.2722 117.6865 52.3410 36.0137 174.4437 78 L 3.7099 7.9339 119.6812 55.7919 43.2532 175.7825 79 E 5.0060 9.6320 124.4557 54.0533 33.0704 176.6475 80 Q 3.9730 8.8372 122.0203 59.4405 29.0043 178.7716 81 E 4.1900 8.1278 113.3406 58.4901 29.7255 177.1187 82 D 4.8334 8.1202 118.7506 55.4668 41.3278 176.8767 83 I 3.9208 7.7242 121.2081 60.4547 37.8370 176.8562 84 G 3.7867 6.9704 110.3931 45.6395 0.0000 170.2527 85 T 4.8721 7.9656 117.1642 62.0075 70.8790 173.3704 86 Y 5.1013 8.7917 124.6720 56.7035 40.0432 174.7119 87 F 5.4366 9.7781 123.0142 55.8827 42.6091 172.2559 88 C 4.7042 8.8141 117.1731 54.3097 41.5383 172.3672 89 Q 4.7649 8.1843 120.9362 54.8861 31.0975 173.2914 90 Q 4.3951 8.5189 125.2038 55.2298 30.4132 176.4062 91 G 3.1589 8.4778 109.5960 45.9720 0.0000 173.6808 92 N 4.1608 8.4569 121.0228 55.1745 39.4412 175.5973 93 T 4.4388 8.4186 114.2285 60.9742 71.9016 172.1060 94 P 3.4830 0.0000 0.0000 61.0125 31.9538 174.5910 95 P 3.6289 0.0000 0.0000 61.6905 32.1201 176.4194 96 W 4.5363 6.6896 120.9996 57.3095 29.7422 175.5172 97 T 5.0504 8.0148 109.1534 60.0786 71.6853 172.7625 98 F 5.3363 9.1808 121.1594 55.6948 42.4419 175.2591 99 G 4.1058 9.1013 109.1603 45.3480 0.0000 174.7598 100 G 3.7848 8.8772 107.6725 46.2262 0.0000 174.9072 101 G 3.3515 8.0632 106.5469 45.8049 0.0000 172.8010 102 T 4.7110 8.2923 116.9687 61.1619 71.9588 173.1884 103 K 4.5589 8.9939 129.8293 55.9228 33.5022 175.1489 104 L 5.1572 9.4306 130.7838 53.6690 43.9941 174.9776 105 E 4.8415 9.1147 124.6843 54.6198 34.1992 174.5383 106 I 4.8498 8.2475 122.0227 60.2018 38.5565 176.1595 107 K 4.4326 8.9165 129.1553 56.4366 34.1873 177.3500 108 R 4.1226 8.3459 118.8813 55.6675 30.2742 176.0668 *109 G 3.8092 8.4183 105.4756 46.7410 0.0000 174.6316 *1002 V 4.2172 7.6521 117.2788 60.5009 33.4883 176.0315 1003 Q 4.0637 9.4730 124.3549 58.0386 30.4534 175.1424 1004 L 5.0659 8.0609 116.3252 53.2094 43.1829 175.4884 1005 Q 4.8034 8.8338 124.4713 54.7777 29.9074 175.6341 1006 Q 5.0285 9.1072 124.2896 54.4427 30.4609 176.0785 1007 S 4.3537 8.4519 116.7404 58.1556 64.1485 173.9139 1008 G 4.0508 8.4413 108.5843 44.8915 0.0000 171.2590 1009 P 4.7559 0.0000 0.0000 63.2335 31.7401 175.7242 1010 E 4.8051 9.5056 121.5504 54.7034 33.1749 175.3436 1011 L 4.9196 8.3510 123.9505 54.1458 44.4341 175.0076 1012 V 4.7303 9.0780 119.7866 59.3679 36.4935 174.9049 1013 K 5.1395 8.1890 119.9417 53.9307 35.1439 174.4705 1014 P 4.5030 0.0000 0.0000 64.3050 31.6883 177.1995 1015 G 3.8559 9.2364 110.6852 45.1629 0.0000 173.3549 1016 A 4.6252 7.4510 121.6081 51.0142 21.0800 176.0117 1017 S 5.1455 8.3367 110.9274 57.1573 66.5494 174.0055 1018 V 4.4976 8.6935 112.8734 59.6622 36.3315 174.3148 1019 K 4.9187 8.6599 125.0709 54.7797 34.0436 175.0311 1020 I 4.6637 8.4188 121.9930 59.4599 40.3709 174.8532 1021 S 5.2072 8.9349 118.1828 57.0825 66.8319 172.6193 1022 C 4.6322 8.6225 120.7296 55.5677 47.1398 171.9318 1023 K 4.5407 8.9595 129.0022 55.1113 33.4873 174.5272 1024 D 5.2386 8.4568 128.5118 52.9657 41.7047 176.1847 1025 S 4.1969 8.7737 120.8703 59.3032 63.9367 175.2094 1026 G 3.8623 8.2950 110.3046 45.4266 0.0000 173.1801 1027 Y 4.4752 8.6230 116.6091 57.8025 39.0031 175.8729 1028 A 4.7223 7.8157 122.2243 51.8801 19.3906 178.5751 1029 F 4.0733 8.4420 122.5858 62.9205 39.2020 177.0511 1030 N 4.1485 8.2302 115.9243 54.4479 38.5726 176.0993 1031 S 4.9067 7.4365 111.9662 56.7404 63.4414 173.8097 1032 S 4.8282 7.1871 113.8087 57.4034 67.1978 173.9076 1033 W 4.6815 8.9896 122.9021 56.8645 30.6977 175.0790 1034 M 4.7650 9.3073 125.0166 54.1802 33.2542 174.7893 1035 N 5.4105 9.2634 124.5997 52.1622 41.3638 174.3370 1036 W 5.1698 8.5179 119.8110 54.9461 33.2055 174.7627 1037 V 4.8781 9.3827 123.6403 60.9488 34.6537 173.7980 1038 K 4.7191 9.1521 128.5643 54.6553 34.7168 174.5702 1039 Q 4.8428 8.6626 127.4923 54.5124 32.2061 173.9288 1040 R 4.9683 7.9603 126.6200 53.3126 33.9864 173.8463 1041 P 4.3715 0.0000 0.0000 64.1965 31.6082 176.7621 1042 G 4.0216 9.0753 110.4624 46.4200 0.0000 173.3762 1043 Q 4.6737 8.2200 116.7341 54.8205 30.3966 178.0199 1044 G 3.9795 8.3247 107.8490 46.8644 0.0000 173.7136 1045 L 4.8793 8.4276 121.7780 52.6732 45.4207 175.2662 1046 E 4.9925 8.9354 122.1419 54.1768 32.8090 174.9458 1047 W 4.6775 9.3986 135.0000 57.7678 31.1291 175.6259 1048 I 3.2397 8.5668 129.2437 62.1053 37.9401 176.3305 1049 G 2.3308 5.8316 106.9140 45.8207 0.0000 170.9001 1050 R 5.1794 7.3018 114.1911 55.4972 33.2554 173.8638 1051 I 5.3684 8.8573 118.8837 59.8346 42.3675 173.2833 1052 Y 4.3814 9.0473 130.4040 55.1772 39.0190 174.1151 1052A P 4.0530 0.0000 0.0000 65.3547 31.7480 178.2467 1053 G 3.5368 6.0893 106.4642 47.9592 0.0000 173.7725 1054 D 4.7069 7.5951 114.6286 51.9256 40.3584 176.3805 1055 G 3.9169 8.4166 107.1938 45.7618 0.0000 173.7340 1056 D 4.6968 8.4171 120.2988 54.9216 42.3465 175.3913 1057 S 5.3952 8.6732 118.8724 57.2279 67.3837 173.0345 1058 N 5.2147 9.0223 119.7077 51.7675 42.1340 173.1044 1059 Y 4.8054 8.6851 119.6174 55.8032 41.9284 174.7503 1060 N 4.7447 9.2592 122.4094 53.5019 39.6424 175.9457 1061 G 4.1461 9.5182 115.7324 49.0145 0.0000 175.4056 1062 K 3.7076 8.3698 118.2572 58.2932 32.2291 177.6524 1063 F 4.8097 8.7117 115.7940 56.8727 40.0085 176.6967 1064 E 3.6576 8.1499 122.1953 59.4650 29.2328 178.8759 1065 G 3.6988 7.8371 104.4323 46.7983 0.0000 174.7181 1066 K 4.0196 8.0555 121.0712 58.4205 32.6915 175.8126 1067 A 5.2333 8.2526 118.9965 50.0929 21.6053 175.9331 1068 I 4.6248 8.3664 120.6703 59.5357 40.7184 174.4361 1069 L 5.1388 9.5230 127.8911 53.3397 43.5650 175.9117 1070 T 4.9639 8.7915 112.1612 60.6735 73.0989 172.1306 1071 A 5.2317 8.4879 120.7702 51.1071 22.5311 175.4098 1072 D 4.7967 9.5212 122.0223 52.4872 42.1806 177.1061 1073 K 4.7978 9.2461 126.5128 59.0999 32.4446 179.7510 1074 S 4.1339 8.3579 112.3295 60.5853 62.9998 174.9189 1075 S 4.4554 7.8897 112.7552 56.8275 63.5461 173.9237 1076 S 2.7900 7.3699 115.8679 60.1493 60.8341 172.0768 1077 T 4.6603 7.2197 114.4191 61.5222 72.2555 174.4353 1078 A 5.4097 8.7118 127.8916 50.6479 21.9407 175.1643 1079 Y 5.3312 9.2513 118.0125 56.4280 42.6723 174.4144 1080 M 4.7359 8.5748 121.0440 53.7087 35.5952 173.4773 1081 Q 4.9787 8.8025 127.6194 54.2811 31.6973 173.8355 1082 L 5.2712 8.7473 126.8051 52.9648 44.2639 175.7379 1082A S 4.9547 8.3158 117.0602 55.7105 66.4251 173.3796 1082B S 3.6760 8.5795 112.9537 58.8957 60.4874 173.3316 1082C L 4.2690 7.8193 119.3598 55.5346 42.2721 177.2808 1083 T 4.9425 8.8752 112.2638 59.2488 71.9157 174.8728 1084 S 4.1929 8.4414 114.8397 60.6295 63.0507 176.2969 1085 V 3.7549 7.5508 120.0722 65.0799 31.3533 176.0966 1086 D 4.7914 8.0018 117.7766 54.8869 41.0819 176.4026 1087 S 5.0020 8.0390 116.4511 58.6756 63.3337 173.4729 1088 A 4.2281 8.0983 125.3613 51.8521 22.9261 173.8746 1089 V 4.5852 7.8289 117.7592 61.5887 33.7103 174.4258 1090 Y 5.2204 9.0593 125.6185 56.3206 40.5302 174.7655 1091 F 5.4201 9.7026 122.8867 55.8148 42.5682 172.0888 1092 C 4.5564 8.3207 115.3105 53.7129 42.9963 172.5026 1093 A 5.2973 8.4113 121.2326 51.6982 22.6889 175.9581 1094 R 5.1147 8.5814 119.2613 55.2343 32.4251 175.3628 1095 S 4.8960 8.9384 113.7640 56.7316 66.9909 174.3589 1096 G 4.1279 8.5664 110.5579 45.2277 0.0000 173.3139 1097 L 4.5250 8.3359 117.3797 55.6971 41.9027 177.6836 1098 L 4.5658 7.7595 116.1447 53.9806 43.3326 176.1590 1099 R 4.2109 7.5006 117.5477 54.4460 32.9049 175.9802 1100 Y 4.3181 7.7132 121.8559 56.6080 37.1646 174.7609 1100A A 4.4792 7.0086 120.5318 50.9845 22.7263 176.6013 1100B M 4.2974 8.5908 120.8179 53.9358 31.2673 176.2766 1101 D 4.8250 8.4544 123.7959 57.0876 41.5608 175.5982 1102 Y 5.0079 8.0756 118.6660 55.4993 42.2482 173.4405 1103 W 5.0699 8.1278 124.6902 54.7060 32.3578 175.9187 1104 G 4.2956 8.9897 113.3503 44.8091 0.0000 173.5941 1105 Q 4.2087 8.5426 115.9121 56.7556 29.1811 177.2540 1106 G 3.3107 8.5730 104.4143 45.7231 0.0000 172.7266 1107 T 4.5624 8.3139 116.7298 61.4289 72.2931 173.0503 1108 S 4.8011 8.6765 121.6582 57.5838 64.2933 172.6587 1109 V 4.8003 9.1695 127.4249 61.6741 34.0489 173.9834 1110 T 4.8228 8.8621 125.8751 61.9134 70.5831 173.8616 1111 V 4.7466 8.5698 127.3705 61.4986 32.9078 175.0490 1112 S 4.6856 9.5730 124.8191 57.0552 66.0540 174.6993 1113 S 4.3553 8.7221 121.6774 58.4387 62.1667 171.6861 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 Y 8.14 4.64 0.00 2.92 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 0 K 7.15 4.15 0.00 1.64 1.41 0.00 1.70 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.23 1.41 7.81 1 D 8.76 4.33 0.00 2.73 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 0.00 0.00 0.00 0.00 2 I 8.05 4.35 1.87 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 1.55 0.60 0.92 0.00 0.00 3 Q 8.71 4.39 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.78 0.00 0.00 0.00 0.00 0.00 2.45 2.61 0.00 4 M 8.78 5.32 0.00 1.93 2.16 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.47 0.00 5 T 9.17 4.78 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 1.27 0.00 0.00 6 Q 8.68 4.90 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.86 0.00 0.00 0.00 0.00 0.00 2.66 2.41 0.00 7 T 8.63 3.95 4.27 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 1.25 0.00 0.00 8 T 7.25 4.34 4.27 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 1.22 0.00 0.00 9 S 8.80 4.73 0.00 3.91 4.13 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 10 S 7.69 5.11 0.00 3.86 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 11 L 9.34 4.88 0.00 1.51 1.52 0.87 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.73 5.13 0.00 3.83 3.71 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 13 A 9.02 4.76 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 14 S 9.39 5.06 0.00 3.77 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 15 L 8.41 4.18 0.00 1.62 1.61 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 16 G 9.09 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 0.00 0.00 0.00 17 D 7.82 4.47 0.00 2.63 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.31 4.76 0.00 1.72 1.76 0.00 3.29 0.00 0.00 3.08 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.48 0.00 19 V 8.41 4.37 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 0.67 0.00 0.00 0.83 0.00 0.00 20 T 8.23 4.91 4.16 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 1.12 0.00 0.00 21 V 8.46 4.33 1.57 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 1.28 0.00 0.00 0.64 0.00 0.00 22 S 8.78 5.47 0.00 3.86 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 23 C 9.27 5.29 0.00 3.11 3.18 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 24 R 9.25 5.37 0.00 1.80 1.81 0.00 3.20 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.61 0.00 25 A 8.92 5.27 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.85 4.23 0.00 3.92 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 27 Q 7.58 4.51 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 28 D 8.72 4.55 0.00 2.66 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 29 I 8.62 4.37 1.83 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.54 0.97 0.00 0.00 30 R 9.60 3.71 0.00 2.18 2.16 0.00 3.32 0.00 0.00 3.33 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 31 N 8.31 4.43 0.00 2.34 1.71 0.00 0.00 6.95 7.47 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 32 Y 7.49 4.56 0.00 3.04 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 33 L 7.31 4.72 0.00 0.57 0.74 0.29 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 34 N 9.04 5.53 0.00 2.52 2.86 0.00 0.00 6.33 7.70 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 35 W 8.97 5.55 0.00 3.31 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 36 Y 9.70 5.35 0.00 3.00 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 37 Q 9.01 4.49 0.00 1.77 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 1.97 1.53 0.00 38 Q 8.90 4.67 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.63 0.00 0.00 0.00 0.00 0.00 2.27 2.49 0.00 39 K 8.67 4.47 0.00 1.95 1.71 0.00 1.73 0.00 0.00 1.59 0.00 0.00 3.17 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.52 7.81 40 P 0.00 4.27 0.00 2.04 2.13 0.00 3.67 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 41 D 8.00 4.53 0.00 2.78 2.79 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 42 G 8.13 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 43 T 8.33 4.11 4.27 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 1.28 0.00 0.00 44 V 7.99 4.53 0.68 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 -0.82 0.00 0.00 -0.09 0.00 0.00 45 K 8.61 4.64 0.00 1.80 1.79 0.00 1.31 0.00 0.00 1.68 0.00 0.00 2.75 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.27 7.81 46 F 9.11 4.78 0.00 3.37 3.10 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 0.00 47 L 9.35 4.38 0.00 1.81 1.51 0.98 0.30 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 48 I 7.62 5.03 2.15 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 1.23 0.87 1.12 0.00 0.00 49 Y 9.08 5.32 0.00 3.16 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 50 Y 8.06 3.50 0.00 2.11 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 51 T 8.70 3.93 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 1.38 0.00 0.00 52 S 7.67 4.62 0.00 3.94 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 53 R 8.35 4.30 0.00 2.16 2.05 0.00 3.38 0.00 0.00 3.31 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.76 0.00 54 L 8.37 4.46 0.00 1.50 1.55 0.99 1.06 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 55 Q 8.63 4.30 0.00 1.65 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.90 0.00 0.00 0.00 0.00 0.00 1.69 1.16 0.00 56 P 0.00 4.29 0.00 2.16 2.07 0.00 3.64 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 1.97 1.97 0.00 57 G 8.89 4.02 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 0.00 0.00 0.00 58 V 7.22 3.53 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 0.39 0.00 0.00 0.84 0.00 0.00 59 P 0.00 4.40 0.00 2.41 2.27 0.00 3.60 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 2.56 2.20 0.00 60 S 8.71 4.27 0.00 3.87 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 61 R 8.04 4.12 0.00 1.98 2.12 0.00 3.08 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.47 0.00 62 F 8.27 4.96 0.00 3.01 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 63 S 8.96 4.68 0.00 3.83 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 64 G 8.61 5.01 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 0.00 0.00 0.00 65 S 9.83 4.82 0.00 3.70 3.68 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 66 G 8.25 4.16 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 0.00 0.00 0.00 67 S 7.49 4.46 0.00 3.64 3.50 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 68 G 8.21 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 0.00 0.00 0.00 69 T 8.79 4.66 4.53 0.00 0.00 0.00 0.00 0.00 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 70 D 7.52 5.36 0.00 2.50 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 71 Y 9.24 5.29 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 72 S 9.49 5.40 0.00 3.80 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 73 L 8.16 4.62 0.00 0.27 0.13 0.78 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 74 T 8.94 4.81 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 1.06 0.00 0.00 75 I 8.51 4.27 1.46 0.00 0.00 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 0.19 0.19 0.18 0.00 0.00 76 N 8.59 4.62 0.00 2.61 2.64 0.00 0.00 7.15 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 N 8.27 4.17 0.00 2.78 2.79 0.00 0.00 7.17 7.85 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 78 L 7.93 3.71 0.00 1.71 1.59 0.85 0.79 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 79 E 9.63 5.01 0.00 2.12 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 2.27 2.23 0.00 80 Q 8.84 3.97 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.93 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 81 E 8.13 4.19 0.00 2.16 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 0.00 2.33 2.43 0.00 82 D 8.12 4.83 0.00 2.86 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 83 I 7.72 3.92 2.03 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 1.26 0.38 1.01 0.00 0.00 84 G 6.97 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 0.00 0.00 0.00 85 T 7.97 4.87 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 0.61 0.00 0.00 86 Y 8.79 5.10 0.00 3.07 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 87 F 9.78 5.44 0.00 3.19 3.15 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 88 C 8.81 4.70 0.00 2.06 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 89 Q 8.18 4.76 0.00 1.74 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.00 0.00 0.00 0.00 0.00 0.00 1.67 1.16 0.00 90 Q 8.52 4.40 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.61 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 91 G 8.48 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 0.00 0.00 0.00 92 N 8.46 4.16 0.00 2.86 2.92 0.00 0.00 6.93 7.70 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 93 T 8.42 4.44 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 1.08 0.00 0.00 94 P 0.00 3.48 0.00 1.48 0.82 0.00 3.32 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.45 0.00 95 P 0.00 3.63 0.00 2.49 2.30 0.00 3.59 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 96 W 6.69 4.54 0.00 2.84 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 97 T 8.01 5.05 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 1.53 0.00 0.00 98 F 9.18 5.34 0.00 3.09 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 99 G 9.10 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 0.00 0.00 0.00 100 G 8.88 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 0.00 101 G 8.06 3.35 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 0.00 102 T 8.29 4.71 4.33 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 0.00 0.00 0.00 1.27 0.00 0.00 103 K 8.99 4.56 0.00 1.81 1.68 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.39 7.81 104 L 9.43 5.16 0.00 1.89 1.84 0.91 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 105 E 9.11 4.84 0.00 1.92 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 2.23 2.27 0.00 106 I 8.25 4.85 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 1.41 0.79 0.95 0.00 0.00 107 K 8.92 4.43 0.00 1.73 1.82 0.00 1.59 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.38 7.81 108 R 8.35 4.12 0.00 1.86 1.75 0.00 3.30 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 *109 G 8.42 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 0.00 0.00 0.00 *1002 V 7.65 4.22 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 0.74 0.00 0.00 0.93 0.00 0.00 1003 Q 9.47 4.06 0.00 1.57 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.15 0.00 1004 L 8.06 5.07 0.00 1.83 1.63 1.10 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 1005 Q 8.83 4.80 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 1006 Q 9.11 5.03 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.94 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 1007 S 8.45 4.35 0.00 3.93 3.91 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 1008 G 8.44 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 1009 P 0.00 4.76 0.00 2.09 2.08 0.00 3.72 0.00 0.00 3.66 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 1010 E 9.51 4.81 0.00 1.84 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 2.22 2.35 0.00 1011 L 8.35 4.92 0.00 1.58 1.53 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 1012 V 9.08 4.73 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 0.75 0.00 0.00 0.93 0.00 0.00 1013 K 8.19 5.14 0.00 1.86 1.92 0.00 1.56 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.35 7.81 1014 P 0.00 4.50 0.00 2.06 2.03 0.00 3.68 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 1015 G 9.24 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1016 A 7.45 4.63 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 1017 S 8.34 5.15 0.00 3.88 3.75 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 1018 V 8.69 4.50 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 0.64 0.00 0.00 0.81 0.00 0.00 1019 K 8.66 4.92 0.00 1.65 1.65 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.19 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.36 1.34 7.81 1020 I 8.42 4.66 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 1.19 0.44 0.87 0.00 0.00 1021 S 8.93 5.21 0.00 3.57 4.02 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 1022 C 8.62 4.63 0.00 2.89 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 1023 K 8.96 4.54 0.00 1.71 1.54 0.00 1.57 0.00 0.00 1.48 0.00 0.00 2.70 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.22 1.15 7.81 1024 D 8.46 5.24 0.00 2.69 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 0.00 0.00 0.00 0.00 1025 S 8.77 4.20 0.00 3.82 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 1026 G 8.30 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1027 Y 8.62 4.48 0.00 2.92 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 1028 A 7.82 4.72 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 1029 F 8.44 4.07 0.00 3.15 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 1030 N 8.23 4.15 0.00 2.73 2.64 0.00 0.00 6.55 7.57 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 1031 S 7.44 4.91 0.00 3.96 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 1032 S 7.19 4.83 0.00 3.73 3.91 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 1033 W 8.99 4.68 0.00 3.40 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 1034 M 9.31 4.76 0.00 2.19 1.89 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.57 0.00 1035 N 9.26 5.41 0.00 2.70 2.86 0.00 0.00 6.38 8.33 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 1036 W 8.52 5.17 0.00 3.03 2.98 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 1037 V 9.38 4.88 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 0.68 0.00 0.00 0.79 0.00 0.00 1038 K 9.15 4.72 0.00 1.71 1.57 0.00 1.94 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.17 0.69 7.81 1039 Q 8.66 4.84 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.48 0.00 0.00 0.00 0.00 0.00 2.27 2.50 0.00 1040 R 7.96 4.97 0.00 1.84 1.78 0.00 3.22 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.52 0.00 1041 P 0.00 4.37 0.00 2.06 2.04 0.00 3.79 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 1042 G 9.08 4.02 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 0.00 0.00 0.00 1043 Q 8.22 4.67 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.89 0.00 0.00 0.00 0.00 0.00 2.50 2.43 0.00 1044 G 8.32 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 1045 L 8.43 4.88 0.00 0.58 0.48 -0.51 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 1046 E 8.94 4.99 0.00 2.03 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 2.39 2.34 0.00 1047 W 9.40 4.68 0.00 3.69 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.57 3.24 1.62 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 -0.30 0.20 0.50 0.00 0.00 1049 G 5.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1050 R 7.30 5.18 0.00 2.09 2.39 0.00 2.21 0.00 0.00 2.95 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.31 0.00 1051 I 8.86 5.37 1.96 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.99 1.11 0.00 0.00 1052 Y 9.05 4.38 0.00 1.43 2.35 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 1052A P 0.00 4.05 0.00 1.43 1.76 0.00 3.04 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 1.54 0.00 1053 G 6.09 3.54 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 0.00 0.00 0.00 1054 D 7.60 4.71 0.00 2.77 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 1055 G 8.42 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 1056 D 8.42 4.70 0.00 3.08 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 1057 S 8.67 5.40 0.00 3.91 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 1058 N 9.02 5.21 0.00 2.61 2.70 0.00 0.00 6.78 6.88 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 1059 Y 8.69 4.81 0.00 2.78 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 1060 N 9.26 4.74 0.00 3.14 3.18 0.00 0.00 7.12 7.82 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 1061 G 9.52 4.15 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 0.00 1062 K 8.37 3.71 0.00 1.53 1.16 0.00 1.22 0.00 0.00 1.33 0.00 0.00 2.13 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.85 0.79 7.81 1063 F 8.71 4.81 0.00 3.09 3.03 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 1064 E 8.15 3.66 0.00 1.88 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 1065 G 7.84 3.70 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 0.00 0.00 0.00 1066 K 8.06 4.02 0.00 1.86 2.06 0.00 1.60 0.00 0.00 1.92 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.67 1.58 7.81 1067 A 8.25 5.23 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 1068 I 8.37 4.62 1.82 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.95 0.92 0.00 0.00 1069 L 9.52 5.14 0.00 1.43 1.57 0.56 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 1070 T 8.79 4.96 4.31 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 1.24 0.00 0.00 1071 A 8.49 5.23 1.42 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 1072 D 9.52 4.80 0.00 2.93 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 1073 K 9.25 4.80 0.00 1.90 1.89 0.00 2.01 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.74 1.43 7.81 1074 S 8.36 4.13 0.00 3.97 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 1075 S 7.89 4.46 0.00 3.86 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 1076 S 7.37 2.79 0.00 3.66 3.39 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 1077 T 7.22 4.66 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 0.45 0.00 0.00 1078 A 8.71 5.41 1.61 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 1079 Y 9.25 5.33 0.00 2.89 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 1080 M 8.57 4.74 0.00 0.55 0.57 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 1.93 1.88 0.00 1081 Q 8.80 4.98 0.00 2.04 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.55 0.00 0.00 0.00 0.00 0.00 2.16 2.29 0.00 1082 L 8.75 5.27 0.00 1.41 1.40 0.10 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 1082A S 8.32 4.95 0.00 3.82 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 1082B S 8.58 3.68 0.00 3.95 3.91 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 1082C L 7.82 4.27 0.00 1.87 1.61 0.94 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 1083 T 8.88 4.94 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 1.25 0.00 0.00 1084 S 8.44 4.19 0.00 4.04 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 1085 V 7.55 3.75 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 0.79 0.00 0.00 0.94 0.00 0.00 1086 D 8.00 4.79 0.00 2.91 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 1087 S 8.04 5.00 0.00 3.90 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 1088 A 8.10 4.23 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1089 V 7.83 4.59 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 0.39 0.00 0.00 0.86 0.00 0.00 1090 Y 9.06 5.22 0.00 3.00 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 1091 F 9.70 5.42 0.00 3.01 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 1092 C 8.32 4.56 0.00 1.88 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 1093 A 8.41 5.30 0.02 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 0.00 0.00 1094 R 8.58 5.11 0.00 1.99 2.09 0.00 3.21 0.00 0.00 3.50 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 1095 S 8.94 4.90 0.00 3.95 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 1096 G 8.57 4.13 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 0.00 1097 L 8.34 4.53 0.00 1.65 1.75 0.72 0.50 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 1098 L 7.76 4.57 0.00 1.51 1.56 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 1099 R 7.50 4.21 0.00 1.48 1.22 0.00 2.21 0.00 0.00 2.90 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.37 0.00 1100 Y 7.71 4.32 0.00 2.62 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 0.00 0.00 0.00 0.00 1100A A 7.01 4.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1100B M 8.59 4.30 0.00 1.31 1.94 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 1.93 0.00 1101 D 8.45 4.83 0.00 2.82 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 1102 Y 8.08 5.01 0.00 3.20 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 1103 W 8.13 5.07 0.00 2.97 2.99 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 0.00 0.00 0.00 1104 G 8.99 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 0.00 0.00 0.00 0.00 1105 Q 8.54 4.21 0.00 2.23 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.42 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 1106 G 8.57 3.31 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 0.00 1107 T 8.31 4.56 4.34 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 1.30 0.00 0.00 1108 S 8.68 4.80 0.00 3.88 3.72 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 1109 V 9.17 4.80 2.37 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 0.97 0.00 0.00 0.99 0.00 0.00 1110 T 8.86 4.82 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 1111 V 8.57 4.75 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 0.71 0.00 0.00 1.00 0.00 0.00 1112 S 9.57 4.69 0.00 3.84 3.62 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 1113 S 8.72 4.36 0.00 3.67 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 * Residues marked with a * may have inaccurate shift predictions.