NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 879 H 5.0746 8.4293 116.3595 55.5009 30.0404 172.1823 880 Q 4.5895 8.4374 122.4430 52.2640 31.9639 173.8834 881 S 5.2478 9.4140 117.8643 58.5822 64.5939 173.1321 882 Y 4.7270 8.9050 116.4139 57.2455 42.2276 175.9580 883 D 4.9157 9.0653 119.1946 55.9621 42.6430 177.0362 884 C 4.8706 7.8737 118.1026 57.4612 31.8685 171.8755 885 V 4.4649 8.8411 122.4112 60.7073 34.3764 173.7555 886 C 4.9942 8.8198 128.7336 57.8448 32.6467 172.2567 887 V 4.2376 7.9125 126.9931 62.2784 32.9910 174.3503 888 M 5.3699 8.9542 126.4090 53.8814 35.8978 173.5991 889 F 5.2508 9.3136 123.9212 55.8140 42.4261 174.5198 890 A 5.2446 9.1891 124.8611 50.2400 20.6665 175.5358 891 S 4.8988 8.8500 116.6681 58.3373 65.9838 173.8023 892 I 5.0123 8.1630 120.3633 58.7025 36.8468 174.7300 893 P 4.3431 0.0000 0.0000 65.3025 32.1704 178.4980 894 D 4.3616 8.3984 117.5505 56.9228 41.3849 178.5669 895 F 4.5972 8.9108 121.6665 61.3987 39.2423 176.7125 896 K 3.8870 7.5728 117.6336 59.9724 31.8697 177.9367 897 E 4.1100 8.2203 117.0926 59.6060 29.6304 178.6393 898 F 4.2887 7.7614 118.4737 60.1114 39.4689 174.7809 899 Y 3.8641 7.5264 120.2866 57.5225 38.7941 174.8837 900 T 4.4264 7.3799 116.1083 59.8196 72.0329 172.5851 901 E 4.6024 8.1236 121.7089 53.9535 29.9776 175.2828 902 S 4.7830 7.7654 116.9302 55.7498 66.0638 175.8889 903 D 4.5558 8.5134 120.3435 56.9801 40.8941 178.4280 904 V 3.7241 7.9533 117.9434 65.7491 31.6290 176.9727 905 N 4.7810 7.9373 116.4546 54.0362 38.0218 174.9413 906 K 3.7619 8.9523 112.9860 58.6352 30.7402 174.7754 907 E 3.6100 9.2680 112.6856 57.6719 27.4170 176.6183 908 G 4.0016 8.6249 107.4291 45.0099 0.0000 175.5278 909 L 4.0792 7.5728 120.3501 58.1827 42.1929 178.5749 910 E 4.1563 8.0814 118.4426 58.9007 29.2582 179.1176 911 C 4.6039 7.9533 116.9234 62.9594 28.4917 175.8970 912 L 4.2219 8.3433 119.8685 57.6524 41.1303 179.6012 913 R 3.8957 8.1621 119.0007 59.4719 30.1561 178.3563 914 L 4.0113 7.6747 118.9443 57.7516 41.9704 178.5065 915 L 3.4090 8.1993 120.4915 57.9852 41.9312 178.0929 916 N 4.1029 8.1468 116.9754 57.1033 38.7542 175.9278 917 E 3.8525 7.9425 119.2990 60.0370 29.5191 179.1388 918 I 3.2478 7.3781 118.6470 64.8828 37.1600 177.9990 919 I 3.3345 7.6709 119.6158 64.4497 37.0795 177.9581 920 A 3.9770 8.1251 121.4111 55.7966 17.9817 179.2195 921 D 4.4146 8.3527 115.7150 57.8573 41.2643 179.0995 922 F 4.2910 8.4203 118.3983 60.6507 38.9223 177.5556 923 D 4.6230 8.8755 118.9546 57.3622 40.4334 178.2460 924 D 4.5623 8.4883 118.8264 56.8789 41.0208 178.4905 925 L 4.3168 7.8718 119.8865 57.5406 41.4956 179.0811 926 L 4.1780 7.9040 117.7355 57.6834 41.8800 178.8388 927 S 4.2943 8.2386 114.0608 60.9969 63.2949 175.1130 928 K 3.8657 8.2050 119.3697 56.4147 32.2997 175.5883 929 P 4.2800 0.0000 0.0000 65.5832 31.4110 178.6953 930 K 3.9198 7.8551 115.3423 58.7729 32.8771 177.3303 931 F 5.1124 7.8452 118.9551 57.3087 39.1980 177.4446 932 S 4.3583 7.8329 116.3692 60.0447 63.0356 175.0515 933 G 3.8097 7.8920 108.8708 46.4425 0.0000 174.0338 934 V 3.5778 7.3648 121.0695 62.8024 31.9357 175.8783 935 E 4.4551 8.5328 128.1712 53.2282 30.8901 173.0064 936 K 3.6988 8.4162 124.4448 57.3976 32.2986 175.0605 937 I 4.2671 8.5344 128.9953 62.4647 37.8295 176.1168 938 K 4.5496 7.2464 118.1381 56.2105 36.2840 173.3486 939 T 4.8243 8.2289 109.6390 59.9036 71.0443 174.0367 940 I 4.2847 8.6430 125.9463 60.1782 39.1907 176.9684 941 G 3.8810 8.2987 118.3220 46.9321 0.0000 175.0001 942 S 4.6843 8.5395 117.3017 56.5215 61.5985 172.6753 943 T 5.1284 7.8580 116.5579 63.1338 73.9249 173.8953 944 Y 4.7244 8.9376 127.9183 56.1082 41.0494 173.6783 945 M 4.7345 8.1107 126.3959 53.5880 34.7424 174.2246 946 A 4.8689 8.3981 125.8752 50.9146 23.4406 174.6844 947 A 5.0461 8.3421 119.7993 50.7494 23.1337 175.5463 948 T 4.5331 8.6611 111.4581 60.7571 71.7212 175.4427 949 G 4.2695 8.9176 110.8534 46.0575 0.0000 174.4794 950 L 3.8219 7.6301 119.7001 56.5020 41.9487 177.8680 951 S 4.5134 8.1059 112.7546 58.7263 63.0389 174.1640 952 A 4.6997 7.7652 124.6549 51.5076 20.9537 176.3970 953 I 3.9803 8.2997 113.5921 63.2362 37.7569 176.9592 *964 R 4.2061 7.0934 117.1424 55.1159 32.2616 175.9788 965 Q 4.0974 7.7219 121.6597 57.7058 30.4602 176.2294 966 Y 5.0987 7.2665 115.3315 57.5509 39.0635 177.0817 967 M 4.3370 8.2660 120.8223 58.3537 32.4140 176.4423 968 H 4.3719 8.3678 115.4076 58.7111 29.0197 177.3823 969 I 3.7134 7.6990 121.5023 64.2294 36.8901 178.5307 970 G 3.8566 8.2549 105.9356 48.0793 0.0000 175.5556 971 T 4.0197 7.8897 117.6562 66.7368 68.4993 175.9345 972 M 4.0370 8.0371 120.0304 58.8784 32.1896 178.1234 973 V 3.6289 7.6667 117.5248 66.4811 31.8388 177.6123 974 E 4.1367 8.6396 118.2632 59.5444 29.3409 179.2962 975 F 3.7606 8.5348 120.1369 60.5341 39.4063 177.3754 976 A 3.6959 8.2324 120.5024 55.3443 18.1703 179.1626 977 Y 3.6846 8.3345 114.9730 61.1109 37.9399 178.7729 978 A 3.9575 7.5120 120.3981 55.0091 18.3122 179.6807 979 L 2.8149 7.0140 117.3750 57.4599 41.4510 179.9107 980 V 3.3503 7.2202 118.2197 65.5993 30.8346 178.4061 981 G 3.5565 7.6552 105.2695 47.5737 0.0000 175.9978 982 K 4.0168 7.9597 121.0058 59.1721 32.3392 179.2377 983 L 4.0628 8.6702 121.2714 58.4080 41.7926 178.7966 984 D 4.3850 8.3550 118.6894 57.1655 40.2895 178.5105 985 A 4.0356 7.7027 120.5404 54.6876 18.3329 179.6392 986 I 3.6860 7.7729 118.5348 64.8291 37.1015 177.8001 987 N 4.2078 8.0011 116.6327 56.5681 38.2107 176.8666 988 K 3.6825 7.3199 119.6867 60.0151 32.3695 177.6366 989 H 4.4129 7.5486 112.0091 56.3233 29.0799 176.5970 990 S 4.7750 7.7889 114.8960 56.7382 63.6303 173.7844 991 F 3.6756 7.4911 118.7184 59.2153 36.4339 173.6359 992 N 5.0074 7.6466 117.6313 52.0332 42.5177 172.9036 993 D 4.6364 7.4683 114.4220 52.9012 41.0796 175.5684 994 F 4.4456 8.8815 119.3458 57.1294 39.8099 176.2731 995 K 4.4588 8.3036 124.4880 55.1631 33.4944 175.8043 996 L 4.7761 8.1294 123.6746 53.7254 44.3920 175.0159 997 R 4.6915 8.8967 125.7227 54.7307 32.6219 174.3150 998 V 4.7633 8.3023 126.5250 61.3314 34.9711 174.6677 999 G 4.5231 8.9185 111.6305 44.8491 0.0000 171.5425 1000 I 5.0873 8.8641 125.4421 59.8647 40.4866 174.2915 1001 N 5.3165 8.4177 127.1073 52.8798 42.1896 172.3840 1002 H 4.9723 7.9442 111.8017 55.0893 31.2132 174.8512 1003 G 3.8008 7.9029 106.0576 44.0671 0.0000 170.2973 1004 P 4.9353 0.0000 0.0000 63.0263 32.2075 176.3537 1005 V 4.8041 8.2477 116.1530 59.8851 37.0175 174.1783 1006 I 4.9402 8.6242 120.4657 60.1000 40.2580 175.5550 1007 A 4.8733 10.1014 129.0652 50.4095 21.5613 177.4495 1008 G 4.0602 6.5001 104.7579 44.9188 0.0000 171.8400 1009 V 4.9363 7.9662 119.5348 61.1356 33.6426 175.5461 1010 I 4.5291 8.4329 125.5148 60.0053 41.1079 173.1205 1011 G 3.9315 8.8612 115.8104 45.7750 0.0000 173.5390 1012 A 4.2373 8.5721 127.0132 55.2356 20.3830 179.4262 1013 Q 4.2361 8.2745 112.4874 56.2633 27.5512 179.4725 1014 K 4.0916 9.1634 131.3863 56.5370 32.6165 175.3092 1015 P 4.6953 0.0000 0.0000 62.2708 31.6879 175.8754 1016 Q 4.8100 8.4558 122.9191 54.1130 31.9751 174.3112 1017 Y 5.0157 8.5617 123.5575 57.0864 40.0806 173.8110 1018 D 4.4452 8.6631 125.5124 52.7057 45.7204 173.2660 1019 I 4.7569 7.0679 112.8526 58.6918 40.6607 174.4149 1020 W 4.7587 9.2704 123.5327 54.6033 33.5434 174.0643 1021 G 4.2617 9.0897 106.3692 44.5561 0.0000 174.5447 1022 N 4.3331 8.8160 116.4228 56.5240 38.8221 176.8000 1023 T 3.9769 8.0130 117.1306 66.8534 68.5220 176.3246 1024 V 3.7218 7.5855 119.8034 65.8676 31.4527 177.7487 1025 N 4.2287 8.1053 115.7939 56.3110 38.5189 177.2238 1026 V 3.4853 7.7125 119.1131 66.0133 31.4844 177.4891 1027 A 4.0219 7.9602 120.4962 55.5944 18.1589 179.6523 1028 S 2.8496 7.7576 111.0988 61.2388 62.3533 176.6163 1029 R 4.0483 7.8807 121.7800 58.4375 29.4860 178.8922 1030 M 4.1378 8.3036 118.6791 58.0393 32.1614 177.9649 1031 D 4.4635 7.6128 117.2853 57.2434 41.6955 178.3679 1032 S 4.0850 8.0201 114.3269 61.6199 63.0568 175.7575 1033 T 4.3017 7.6296 108.4796 61.2329 68.4321 175.0340 1034 G 3.9629 8.1620 112.5537 45.5291 0.0000 173.0883 1035 V 4.3830 7.7956 117.0555 60.2465 34.2840 175.0092 1036 L 3.9564 8.3990 125.9450 56.5470 41.8883 176.7548 1037 D 4.3683 8.8574 120.1230 54.5108 40.6038 173.2896 1038 K 4.5557 7.4868 115.8696 54.7540 36.3409 174.9736 1039 I 4.5850 8.1307 123.6888 59.9915 39.3984 174.1262 1040 Q 5.3475 8.8218 128.8285 54.7374 30.9192 174.7987 1041 V 5.1850 9.4898 119.4435 58.8540 35.9679 175.8232 1042 T 4.4737 8.1379 112.3356 60.6811 70.8940 174.9432 1043 E 3.7966 8.6890 120.5394 59.6452 29.5547 178.4704 1044 E 3.8933 8.0514 117.8241 59.8945 29.6319 179.1857 1045 T 3.8317 7.8722 115.6486 66.8463 68.3774 176.4580 1046 S 3.9379 8.0894 114.7274 61.4218 62.2554 175.8392 1047 L 3.8611 7.9851 120.5955 58.2141 41.7972 179.6017 1048 I 3.9233 7.9113 119.3245 64.4476 37.0521 178.5586 1049 L 4.2579 7.8054 119.3935 57.7522 41.3058 179.6541 1050 Q 4.5057 8.6828 120.1452 58.5837 28.5223 178.4174 1051 T 4.2162 7.6643 107.9274 63.2161 68.7349 174.5930 1052 L 4.5650 7.7954 120.0521 54.6145 42.7109 176.8305 1053 G 3.8217 8.2727 106.2547 45.2025 0.0000 172.9609 1054 Y 4.8310 8.1188 118.0862 56.6307 40.0402 174.6678 1055 T 4.7647 8.6172 113.7044 60.5272 71.4002 173.1901 1056 C 5.4113 8.6099 121.6048 58.4289 31.4631 173.5822 1057 T 4.5273 8.6391 120.3349 62.6928 70.0324 173.7213 1058 C 3.5088 8.4428 126.0941 59.0901 31.6148 173.3444 1059 R 3.4314 8.2098 127.8891 58.6362 30.1240 175.2413 1060 G 3.8252 6.9794 107.3246 44.3806 0.0000 172.5678 1061 I 5.0483 7.9177 125.4451 59.5874 41.1697 175.1047 1062 I 4.5250 8.2176 124.3232 59.6680 41.6157 173.9917 1063 N 4.7623 8.9426 126.0486 53.6452 39.1901 174.8110 1064 V 3.9672 8.9945 129.1518 60.7887 32.1916 173.7390 1065 K 3.9829 8.5792 130.1033 60.3420 31.7524 174.5712 1066 G 3.9713 8.7002 118.1914 45.9148 0.0000 173.6064 1067 K 4.2090 8.3680 119.9427 55.4119 33.7631 177.8443 1068 G 3.8637 7.9656 105.6347 45.0586 0.0000 171.4754 1069 D 5.0759 8.4850 121.8232 54.1005 41.7918 176.1830 1070 L 4.8170 8.8079 122.8437 53.8605 44.3293 175.3912 1071 K 4.7947 8.6633 122.4381 56.5014 33.3028 175.8325 1072 T 5.0695 8.4045 115.2992 60.3261 72.8186 172.1357 1073 Y 4.8863 9.3213 119.5748 56.2820 42.4325 174.7506 1074 F 5.5238 8.7975 121.5291 56.8266 41.1174 175.0215 1075 V 4.4322 8.4150 122.9700 62.3938 32.0281 175.6291 1076 N 4.9408 9.4618 125.8523 52.9056 40.1259 175.6055 1077 T 4.3129 8.3212 115.9609 63.9735 69.3104 174.2679 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 879 H 8.43 5.07 0.00 3.49 3.41 0.00 5.44 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 880 Q 8.44 4.59 0.00 2.04 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.55 0.00 881 S 9.41 5.25 0.00 3.97 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 0.00 882 Y 8.91 4.73 0.00 2.97 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 883 D 9.07 4.92 0.00 2.73 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 0.00 884 C 7.87 4.87 0.00 3.13 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 0.00 885 V 8.84 4.46 2.04 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 0.75 0.00 0.00 0.67 0.00 0.00 886 C 8.82 4.99 0.00 2.88 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 887 V 7.91 4.24 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 0.86 0.00 0.00 0.90 0.00 0.00 888 M 8.95 5.37 0.00 2.10 1.86 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.56 0.00 889 F 9.31 5.25 0.00 3.02 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 0.00 890 A 9.19 5.24 1.21 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 0.00 0.00 0.00 891 S 8.85 4.90 0.00 3.92 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 892 I 8.16 5.01 1.78 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.80 0.90 0.00 0.00 893 P 0.00 4.34 0.00 2.24 2.15 0.00 3.69 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.15 0.00 894 D 8.40 4.36 0.00 2.98 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 0.00 895 F 8.91 4.60 0.00 3.13 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 896 K 7.57 3.89 0.00 1.75 1.95 0.00 1.91 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.57 7.81 897 E 8.22 4.11 0.00 2.21 2.04 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 2.36 2.44 0.00 898 F 7.76 4.29 0.00 3.17 3.26 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 0.00 899 Y 7.53 3.86 0.00 2.60 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 0.00 900 T 7.38 4.43 3.99 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 0.99 0.00 0.00 901 E 8.12 4.60 0.00 1.77 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 2.10 1.77 0.00 902 S 7.77 4.78 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 0.00 903 D 8.51 4.56 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 0.00 904 V 7.95 3.72 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 0.78 0.00 0.00 0.89 0.00 0.00 905 N 7.94 4.78 0.00 2.96 2.92 0.00 0.00 7.26 5.90 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 0.00 906 K 8.95 3.76 0.00 1.90 1.87 0.00 1.83 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.39 7.81 907 E 9.27 3.61 0.00 2.21 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 908 G 8.62 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 909 L 7.57 4.08 0.00 1.98 1.71 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 910 E 8.08 4.16 0.00 1.98 2.04 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 2.34 2.51 0.00 911 C 7.95 4.60 0.00 3.48 3.36 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 0.00 912 L 8.34 4.22 0.00 1.81 1.83 1.05 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 913 R 8.16 3.90 0.00 2.12 2.21 0.00 3.25 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 914 L 7.67 4.01 0.00 2.05 2.03 0.93 0.58 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 0.00 915 L 8.20 3.41 0.00 1.60 1.75 0.06 0.18 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 0.00 916 N 8.15 4.10 0.00 3.02 2.91 0.00 0.00 7.29 7.29 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0.00 0.00 0.00 1.16 0.88 0.93 0.00 0.00 1001 N 8.42 5.32 0.00 2.85 2.72 0.00 0.00 6.33 7.20 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 1002 H 7.94 4.97 0.00 3.09 3.13 0.00 5.62 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1003 G 7.90 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1004 P 0.00 4.94 0.00 2.00 2.16 0.00 3.63 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 2.05 2.27 0.00 1005 V 8.25 4.80 2.19 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 0.74 0.00 0.00 0.87 0.00 0.00 1006 I 8.62 4.94 2.05 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.85 1.02 0.00 0.00 1007 A 10.10 4.87 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 1008 G 6.50 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 1009 V 7.97 4.94 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.12 0.00 0.00 1010 I 8.43 4.53 2.09 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.24 1.20 0.00 0.00 1011 G 8.86 3.93 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 0.00 0.00 0.00 1012 A 8.57 4.24 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 1013 Q 8.27 4.24 0.00 2.07 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.04 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 1014 K 9.16 4.09 0.00 1.88 1.87 0.00 1.58 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.48 7.81 1015 P 0.00 4.70 0.00 2.01 2.10 0.00 3.66 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.21 0.00 1016 Q 8.46 4.81 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 1017 Y 8.56 5.02 0.00 2.96 2.83 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 1018 D 8.66 4.45 0.00 2.42 1.54 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 1019 I 7.07 4.76 1.70 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.59 0.61 0.00 0.00 1020 W 9.27 4.76 0.00 3.34 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 1021 G 9.09 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 1022 N 8.82 4.33 0.00 2.79 2.84 0.00 0.00 6.86 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 1023 T 8.01 3.98 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 1.25 0.00 0.00 1024 V 7.59 3.72 2.21 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 1.15 0.00 0.00 0.96 0.00 0.00 1025 N 8.11 4.23 0.00 2.87 2.82 0.00 0.00 6.76 7.68 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 1026 V 7.71 3.49 2.22 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 0.85 0.00 0.00 0.97 0.00 0.00 1027 A 7.96 4.02 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 0.00 0.00 0.00 0.00 0.00 1028 S 7.76 2.85 0.00 3.20 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 1029 R 7.88 4.05 0.00 1.89 1.92 0.00 3.28 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.62 0.00 1030 M 8.30 4.14 0.00 2.17 2.32 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.85 0.00 1031 D 7.61 4.46 0.00 2.91 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 1032 S 8.02 4.09 0.00 4.04 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 1033 T 7.63 4.30 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 1.25 0.00 0.00 1034 G 8.16 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 1035 V 7.80 4.38 1.52 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 0.87 0.00 0.00 1.00 0.00 0.00 1036 L 8.40 3.96 0.00 1.62 1.57 0.92 1.06 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 1037 D 8.86 4.37 0.00 2.70 2.66 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 0.00 0.00 0.00 0.00 1038 K 7.49 4.56 0.00 1.33 1.08 0.00 1.47 0.00 0.00 1.48 0.00 0.00 2.82 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.22 0.99 7.81 1039 I 8.13 4.58 1.88 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 1.11 0.55 0.92 0.00 0.00 1040 Q 8.82 5.35 0.00 2.45 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.65 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 1041 V 9.49 5.19 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 0.87 0.00 0.00 1.08 0.00 0.00 1042 T 8.14 4.47 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 1.23 0.00 0.00 1043 E 8.69 3.80 0.00 2.14 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 2.32 2.45 0.00 1044 E 8.05 3.89 0.00 2.10 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 2.37 2.45 0.00 1045 T 7.87 3.83 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 1.29 0.00 0.00 1046 S 8.09 3.94 0.00 3.65 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 1047 L 7.99 3.86 0.00 1.72 1.72 0.90 0.77 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 1048 I 7.91 3.92 1.93 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.19 0.96 0.00 0.00 1049 L 7.81 4.26 0.00 1.85 1.88 0.83 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 1050 Q 8.68 4.51 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.53 2.39 0.00 1051 T 7.66 4.22 4.28 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 1.33 0.00 0.00 1052 L 7.80 4.57 0.00 1.68 1.67 1.06 1.06 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 1053 G 8.27 3.82 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 1054 Y 8.12 4.83 0.00 3.14 2.86 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 1055 T 8.62 4.76 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 1.26 0.00 0.00 1056 C 8.61 5.41 0.00 2.87 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 1057 T 8.64 4.53 4.47 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 1.25 0.00 0.00 1058 C 8.44 3.51 0.00 2.41 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 1059 R 8.21 3.43 0.00 0.67 1.46 0.00 3.48 0.00 0.00 3.02 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.00 0.00 1060 G 6.98 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 0.00 0.00 0.00 1061 I 7.92 5.05 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.55 0.88 0.00 0.00 1062 I 8.22 4.52 1.84 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 0.65 0.89 0.00 0.00 1063 N 8.94 4.76 0.00 2.86 2.76 0.00 0.00 7.06 7.71 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 1064 V 8.99 3.97 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 0.92 0.00 0.00 0.91 0.00 0.00 1065 K 8.58 3.98 0.00 1.74 1.79 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.48 7.81 1066 G 8.70 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 1067 K 8.37 4.21 0.00 1.70 1.82 0.00 1.83 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.36 7.81 1068 G 7.97 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 1069 D 8.48 5.08 0.00 2.57 2.61 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 1070 L 8.81 4.82 0.00 1.71 1.69 0.92 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 1071 K 8.66 4.79 0.00 1.81 1.83 0.00 1.87 0.00 0.00 1.67 0.00 0.00 2.76 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.27 1.35 7.81 1072 T 8.40 5.07 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 1073 Y 9.32 4.89 0.00 2.82 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 1074 F 8.80 5.52 0.00 3.00 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 1075 V 8.42 4.43 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 0.75 0.00 0.00 0.93 0.00 0.00 1076 N 9.46 4.94 0.00 2.81 2.82 0.00 0.00 6.85 7.50 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 1077 T 8.32 4.31 4.35 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 1.39 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.