NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 768 R 4.2573 8.2549 120.8577 55.1682 31.4843 175.8155 769 P 4.2014 0.0000 0.0000 59.8615 33.2948 174.8978 770 P 4.2159 0.0000 0.0000 66.4084 31.4347 178.6000 771 L 4.0790 7.7558 118.0912 57.3121 41.5675 179.3488 772 Q 3.5322 7.7253 117.7366 58.8822 28.6623 178.4306 773 E 4.0498 8.0266 119.1185 59.1934 29.3787 178.8591 774 Y 4.2088 8.0145 119.8149 60.7063 38.9740 177.9004 775 V 3.2682 7.8357 119.1265 66.1747 31.6484 177.9968 776 R 3.4034 7.9772 117.5469 59.0859 29.7965 179.0428 777 K 3.9407 8.0177 119.2109 59.3592 32.2118 178.9044 778 L 3.8362 7.7653 119.2937 57.8152 41.3050 179.5019 779 L 3.9557 7.4797 117.2909 56.9255 41.9122 177.5419 780 Y 4.7548 7.8444 114.6888 58.0702 39.1126 176.4227 781 K 4.3229 7.8941 115.7300 58.1612 34.5399 177.2743 782 D 4.4070 8.3564 117.6422 56.9085 40.9296 177.3061 783 L 4.0326 7.5239 121.4539 54.8757 42.1405 175.8957 784 S 4.5635 8.4063 119.1807 56.8992 66.1211 174.6762 785 K 3.9581 8.6480 120.8332 58.9660 31.8780 177.6752 786 V 4.0916 7.4371 116.8316 62.1562 32.2792 176.5659 787 T 4.5601 7.5276 110.5500 61.5303 69.2040 176.0794 788 T 3.8577 7.9215 115.4801 65.5122 68.6569 176.0203 789 E 3.9940 8.1002 120.9447 58.8544 29.6282 179.0725 790 K 3.9492 7.9393 119.3301 59.4575 32.3081 178.9723 791 V 3.5558 7.8363 118.6378 65.6406 31.4335 177.5802 792 L 3.9230 7.9161 120.1764 58.2797 41.7186 178.7240 793 R 3.8704 7.5930 116.8199 59.8634 29.7092 178.1274 794 Q 4.1837 7.9542 117.0346 59.1877 28.7457 178.5578 795 M 4.0989 8.3784 120.0718 58.4158 31.7771 178.7865 796 R 4.1943 8.0067 117.5522 59.0420 30.3831 177.8070 797 K 4.3225 7.5046 113.4094 56.9410 33.1274 177.1691 798 L 3.9624 7.4230 120.3177 54.2624 41.9584 176.3846 799 P 4.5060 0.0000 0.0000 62.4584 29.1017 176.8409 800 W 4.4957 8.1214 124.8823 59.1293 29.5623 177.4001 801 Q 4.1767 7.9950 116.7931 57.6501 28.9691 175.8816 802 D 4.4711 7.9053 117.9823 53.7512 41.6157 176.3147 803 Q 4.0599 8.7078 129.0542 59.3385 29.3206 177.7177 804 E 3.9905 8.1592 119.8709 59.3349 29.5666 179.5608 805 V 3.6180 7.8232 117.8990 65.6537 31.8257 177.8690 806 K 4.2574 8.0934 119.3671 59.7821 32.1391 178.4914 807 D 4.4589 8.4783 119.3776 57.6191 40.7189 178.2364 808 Y 4.0065 8.0937 119.7631 60.5023 38.7921 178.1194 809 V 3.5486 7.8844 118.9377 65.9596 31.6831 177.9921 810 I 3.7573 7.7647 119.3432 64.6966 37.0075 177.9851 811 C 4.1247 8.1324 119.3511 62.7172 31.1368 175.4234 812 C 4.3402 7.6549 118.7550 62.4371 27.6703 175.6546 813 M 4.2032 7.9013 119.6773 58.1829 31.6562 178.5281 814 I 4.0848 7.7108 119.5105 63.8152 38.4244 177.2549 815 N 4.9581 8.1574 118.8470 52.8488 36.2301 176.4436 816 I 3.6142 7.5574 120.8713 62.8447 38.4263 176.2747 817 W 4.3333 8.2165 115.7653 59.5134 28.0742 176.9980 818 N 3.5046 6.4224 115.6614 54.4058 37.8264 175.0165 819 V 4.0504 6.8786 118.4272 60.5726 33.0097 175.6252 820 K 3.9456 8.5113 125.6395 56.9956 32.9477 176.9873 821 Y 4.0175 8.9469 123.6272 60.8958 38.7518 177.6993 822 N 4.7238 8.2937 113.3616 54.1691 37.7436 175.7323 823 S 4.4972 7.8934 114.5686 58.1678 63.9227 175.4412 824 I 3.5380 7.4699 124.7114 64.7451 36.8567 177.8620 825 H 4.2999 8.0599 115.2738 58.8862 28.2970 177.3019 826 C 4.0458 7.4446 119.4254 62.4297 27.8225 176.1961 827 V 3.5244 7.5476 119.6432 65.6569 31.0632 177.9445 828 A 4.0650 7.9580 120.1714 55.1421 18.4279 178.9135 829 N 3.8091 7.4447 115.4459 56.5536 38.9580 176.8103 830 L 3.9274 7.8929 121.7702 58.1076 42.1828 178.7285 831 L 3.9749 8.1372 120.1108 58.0380 41.7750 178.8261 832 A 4.1254 7.7891 120.2838 54.8902 18.3668 179.5542 833 G 3.6888 8.0642 104.2419 47.7708 0.0000 175.8585 834 L 4.2612 7.9640 122.6839 57.7578 41.9417 178.8622 835 V 3.8311 7.6209 110.4268 62.8107 31.5542 177.8601 836 L 3.8502 7.2947 117.6089 56.9149 41.3864 177.2334 837 Y 4.5700 7.6365 114.2490 58.2134 40.2070 176.0647 838 Q 4.3047 7.3247 119.8802 53.4083 29.2548 174.3018 839 E 3.8450 8.0037 122.8767 58.9509 30.2435 177.2249 840 D 4.2106 7.9916 118.8432 56.3884 39.1861 178.7386 841 V 3.6300 7.3918 119.5537 65.7871 31.5098 178.2702 842 G 3.5560 7.8733 104.9361 47.7343 0.0000 175.4883 843 I 3.6552 7.3888 122.2305 64.6276 37.1474 178.3398 844 H 4.2959 8.0123 116.9418 58.6428 28.3613 178.2038 845 V 3.6209 7.8769 120.2943 65.8951 31.4266 178.2404 846 V 3.4598 7.7137 117.9608 66.2119 31.5245 177.4795 847 D 4.4833 8.4120 118.9856 57.5323 40.6454 179.3840 848 G 3.6022 8.0919 106.0470 47.7540 0.0000 176.0370 849 V 3.7144 8.1147 121.1858 65.7847 31.6696 178.1850 850 L 4.0275 7.9651 118.7988 57.5405 41.3551 179.0386 851 E 3.9181 8.1203 119.1859 59.2786 29.5687 178.4120 852 D 4.3509 8.3264 118.1711 57.3068 40.7866 178.3120 853 I 3.8593 7.9136 120.5896 64.1251 36.9507 178.4652 854 R 3.7344 7.8773 119.2678 59.3714 30.0239 178.2818 855 L 4.3504 7.7683 122.0453 57.5620 41.9503 179.1130 856 G 3.6965 8.3140 105.7649 48.1303 0.0000 175.6213 857 M 4.3230 7.7478 118.9679 58.2206 32.0061 178.3996 858 E 4.2805 8.2167 118.8597 58.8866 28.0857 179.3170 859 V 3.7051 8.1213 118.2893 65.0721 32.2407 177.0777 860 N 4.2610 8.1072 114.1832 54.5444 38.0485 173.7683 861 Q 4.5594 7.4332 115.3036 53.4685 30.7659 175.8217 862 P 4.1034 0.0000 0.0000 65.0868 31.5822 178.5929 863 K 3.7700 7.7124 116.2059 59.1131 32.6208 177.9564 864 F 4.7586 7.7841 117.5029 57.2976 38.8927 177.0455 865 N 4.0989 7.8617 118.8319 56.6633 38.3719 177.1550 866 Q 4.1130 8.0753 118.6399 59.2077 28.8612 179.1261 867 R 4.0893 7.9515 118.5150 59.3494 30.1386 179.2182 868 R 4.1208 8.3187 117.9744 59.2074 30.1033 179.1068 869 I 3.8242 8.1496 119.7744 64.5805 37.1000 178.6094 870 S 4.3751 8.3721 116.0431 61.8518 62.6794 177.0154 871 S 4.3509 8.3769 117.6761 61.5145 62.5841 176.6268 872 A 4.1292 8.2170 123.5882 54.9833 18.1473 179.5279 873 K 3.9032 8.3489 118.2552 59.6580 32.1865 178.6673 874 F 4.4624 8.4853 120.9524 61.4109 39.3193 176.7766 875 L 3.8699 8.2442 120.0540 58.1081 41.9469 179.2170 876 G 3.6699 8.2387 105.6937 47.8864 0.0000 175.5631 877 E 4.2608 8.5014 120.8491 59.0223 29.4128 179.3067 878 L 3.9972 8.1924 119.7155 57.7023 41.5403 178.8945 879 Y 4.2351 7.9363 120.9247 60.3251 38.5681 177.7617 880 N 4.0302 8.0197 115.9554 55.4160 38.5326 175.9760 881 Y 4.3583 7.5153 116.0672 57.0947 38.6834 175.7789 882 R 3.7110 7.3314 116.5893 57.6443 27.9987 177.5624 883 M 4.2430 8.1734 119.8724 56.9007 32.3393 177.1762 884 V 4.4992 7.2650 110.3203 59.4359 35.9350 174.7326 885 E 4.5684 8.4238 121.8883 55.1320 31.0654 177.6907 886 S 4.0269 8.9455 114.8149 61.7231 62.6886 176.2666 887 A 4.0620 8.1836 123.8548 55.2317 18.1065 179.5740 888 V 3.5118 7.7978 116.4691 66.1380 31.5463 178.3809 889 I 3.4897 7.4128 119.0146 64.3888 36.9819 178.3478 890 F 3.9347 7.9605 118.6462 60.1261 38.7387 177.6192 891 R 3.9433 8.1108 118.5161 59.9559 29.9717 178.7839 892 T 3.5189 7.5171 114.7638 66.2968 67.9247 176.8377 893 L 3.5511 7.5150 120.8924 57.9044 41.1141 179.1671 894 Y 4.4866 8.0471 118.1462 60.5464 37.6916 178.9338 895 S 4.3347 7.9417 115.1367 61.5463 62.7778 176.6587 896 F 4.6558 7.7253 120.5239 60.0809 39.0575 176.7768 897 T 3.9832 7.8657 106.6526 62.0583 69.2062 176.1935 898 S 4.7606 8.2163 114.3161 58.3663 65.0022 173.7222 899 F 4.4254 8.8323 124.4218 59.0461 39.0429 174.7891 900 G 3.4714 8.3878 115.5534 45.8533 0.0000 172.3646 901 V 4.3292 7.4972 119.4729 60.4507 32.7645 175.5802 902 N 4.4304 8.6106 125.3841 52.8067 38.8528 174.0695 903 P 4.5616 0.0000 0.0000 64.2363 31.7267 176.3835 904 D 4.3611 7.7511 117.6085 52.9270 39.9410 177.1891 905 G 2.6007 6.8248 108.2968 45.1290 0.0000 174.0691 906 S 4.2894 7.7278 114.0782 56.5347 63.8718 172.5213 907 P 4.5846 0.0000 0.0000 62.9980 31.6894 175.1206 908 S 4.6626 8.0930 112.9790 56.5317 66.4320 174.1090 909 S 4.2139 8.8071 114.2891 61.5152 61.8878 175.1863 910 L 4.2802 7.7499 117.0004 56.0433 42.5835 176.3774 911 D 5.0129 7.8304 117.6993 51.8366 40.9291 172.5025 912 P 4.8731 0.0000 0.0000 61.5050 32.9561 176.4004 913 P 4.2328 0.0000 0.0000 66.0744 31.0340 177.7163 914 E 4.3805 7.9687 113.1619 56.8694 29.7145 176.1505 915 H 4.5500 8.0505 120.1931 56.1597 29.4151 174.3460 916 L 4.7910 8.3820 125.8908 54.4955 42.3979 178.4851 917 F 4.2532 7.9413 123.0381 61.1230 39.1695 177.1761 918 R 3.7879 8.0907 117.6568 59.2968 29.8773 178.7784 919 I 4.0956 7.8414 119.1960 64.4272 37.0686 178.7680 920 R 3.8288 7.6229 118.5591 58.9521 30.0669 178.8138 921 L 3.5035 7.2473 118.7577 57.4781 41.4454 179.6190 922 V 3.6242 7.4873 118.0064 66.4585 31.4783 177.8891 923 C 4.1462 7.9442 116.1880 62.9984 27.5816 176.3477 924 T 3.9158 7.9745 117.4737 66.6883 68.0543 176.8269 925 I 3.8264 7.6766 121.3680 64.4049 37.3038 178.5344 926 L 3.9883 8.0137 119.7840 57.8042 41.1635 179.1937 927 D 4.4490 8.0382 117.8597 56.7523 40.8369 178.3768 928 T 4.3217 7.2311 114.6190 65.2785 69.4029 175.2887 929 C 4.9024 8.0622 111.5261 57.1870 31.3932 175.9436 930 G 3.3952 7.8830 110.5971 48.6671 0.0000 176.1078 931 Q 3.8448 7.5533 117.6551 58.4449 28.6802 176.6806 932 Y 4.4549 6.8733 113.2488 58.6168 38.5643 175.6882 933 F 5.5074 7.9889 120.3808 56.8557 39.0326 176.4572 934 D 5.0218 8.1888 118.1025 53.1277 40.6257 176.2461 935 R 4.7433 7.4662 118.6684 55.2757 34.4467 175.9062 936 G 4.0321 8.4569 108.2190 47.1506 0.0000 176.8157 937 S 4.1864 8.7153 116.2723 61.3354 62.9561 176.5255 938 S 4.0986 8.1293 117.3831 60.7088 62.7260 176.2890 939 K 4.4420 7.7628 123.7579 59.0714 31.9497 178.6777 940 R 3.9384 7.6523 117.9054 59.4189 29.9619 178.6157 941 K 3.7288 7.9027 118.3040 59.1298 31.8429 179.1600 942 L 4.2742 8.0351 120.6482 58.3369 41.9675 178.5886 943 D 4.4598 8.2822 118.8573 57.7421 40.6381 178.7441 944 C 4.2940 8.4512 117.2310 62.8491 28.1684 175.9018 945 F 4.2861 8.3536 123.6049 60.8306 38.9675 177.1964 946 L 4.0421 8.3348 118.6628 57.4837 41.2049 179.6569 947 V 3.4781 7.5712 118.4483 66.2897 31.5005 177.7388 948 Y 4.0064 7.6005 116.4271 60.9254 37.6236 178.3938 949 F 4.2953 8.2272 122.0515 61.4404 39.4533 177.2786 950 Q 3.7561 8.1586 117.7376 58.6796 28.3626 178.6709 951 R 3.7160 7.5324 121.2037 58.8302 30.0858 177.7626 952 Y 3.8651 7.7036 119.2667 60.7382 38.6704 178.4090 953 V 3.2757 7.6573 118.9811 65.8140 31.5847 178.1202 954 W 3.8209 7.9547 118.5327 59.0620 28.5597 178.5238 955 W 4.5459 8.1632 118.8641 59.9236 28.7058 178.2884 956 K 4.2674 7.8685 118.1322 59.5955 31.3076 179.6816 957 K 3.4466 7.7298 117.5790 59.0087 31.8623 178.7970 958 S 4.5766 8.0842 112.9598 58.4304 63.4730 174.6771 959 L 4.2648 7.5514 123.3151 54.3928 41.9717 178.1496 960 E 4.0636 8.6026 119.6627 58.8346 29.9433 178.5713 961 V 3.3763 7.4814 118.6450 63.8709 31.2985 176.3904 962 W 5.0289 7.2233 121.3053 56.1510 29.5462 175.4709 963 T 4.8578 8.7691 112.8605 59.6365 71.7679 174.7551 964 K 3.9899 8.8663 119.9513 59.9344 31.9561 178.6126 965 D 4.5606 7.6068 116.6468 56.6902 41.5151 176.3466 966 H 4.9172 7.9711 118.3105 53.6576 29.7614 170.4556 967 P 4.9398 0.0000 0.0000 61.5881 32.5986 177.0338 968 F 2.5459 8.5927 121.9221 57.5785 39.6385 173.7645 969 P 4.0978 0.0000 0.0000 62.3025 32.1662 177.5853 970 I 3.4297 8.2184 122.8911 63.9756 37.9417 177.5823 971 D 4.4814 7.9049 119.5659 57.2540 40.6871 178.5880 972 I 3.6830 7.4808 119.9012 64.2780 37.1695 177.6783 973 D 4.3089 7.6744 119.9390 57.9866 40.7059 178.9183 974 Y 4.4160 7.8744 116.7827 61.0909 37.8814 178.1054 975 M 4.0855 8.1753 119.3433 58.7469 32.3403 178.4436 976 I 3.8718 7.7997 119.9948 64.5149 37.2801 178.6647 977 S 4.2062 8.1672 115.1832 61.5564 62.8347 176.2080 978 D 4.3607 8.3808 122.5468 57.3428 40.4187 178.9237 979 T 3.8989 7.9099 115.9793 66.7104 68.4288 176.8980 980 L 4.1010 8.1590 120.9083 57.9297 41.6065 179.4706 981 E 4.1648 8.5508 118.6073 58.9608 29.0804 179.2110 982 L 4.0524 7.5674 119.7373 58.1421 42.2567 178.6602 983 L 4.4180 7.5930 117.8206 56.3762 42.7310 177.5069 984 R 4.5896 8.3259 118.1231 53.3679 31.4342 173.4253 985 P 4.4100 0.0000 0.0000 64.2803 31.6584 177.6124 986 K 4.4067 7.8398 114.4301 55.8526 32.3144 176.4297 987 I 3.6856 7.4397 120.0878 60.8723 38.3318 175.3615 988 K 4.2120 8.4055 127.9612 55.2132 32.0841 176.1313 989 L 4.4659 8.3847 127.5141 53.9933 42.0872 176.9223 990 C 4.5773 8.8986 121.9977 59.8215 28.4710 173.5809 991 N 4.9936 8.7137 120.2803 53.1119 39.0574 175.2672 992 S 2.8221 6.2532 112.0540 55.3740 66.5521 175.4038 993 L 3.6232 7.2041 124.1849 58.2136 41.8382 179.0220 994 E 3.8297 7.7366 117.9123 59.4311 29.2725 178.7827 995 E 3.8039 7.6773 119.1834 59.2532 29.2822 179.0429 996 S 4.1046 7.6277 114.1349 61.3320 63.0061 176.5965 997 I 3.6675 7.8018 123.5544 64.1248 36.7523 178.5576 998 R 3.8867 7.9522 119.0017 59.2000 29.8356 179.0066 999 Q 3.8703 7.8832 117.8788 58.9632 28.6254 179.2539 1000 V 3.2247 7.3799 118.8527 65.8478 31.5468 178.0478 1001 Q 3.9165 8.3072 118.1993 59.1363 28.4532 178.5916 1002 D 4.2729 8.2675 120.1683 57.2382 40.8728 178.6857 1003 L 3.6124 7.6436 120.7631 58.0947 42.0060 178.8925 1004 E 3.8097 8.1261 118.3325 58.6646 29.3373 179.2766 1005 R 3.8465 7.8567 119.3498 59.2664 30.1514 178.1654 1006 E 3.9368 7.7406 118.2066 59.5214 29.4194 179.2708 1007 F 4.5077 7.7600 117.4319 60.7307 39.1631 177.2236 1008 L 4.0003 8.2072 119.8806 58.4397 41.5657 179.0407 1009 I 3.7114 7.5639 118.0367 64.5235 37.1852 178.1292 1010 K 4.1037 7.8974 117.6598 59.5876 32.0108 178.9942 1011 L 4.2462 8.3641 117.7730 54.8023 41.8451 177.1763 1012 G 3.9609 7.9012 106.3108 46.5863 0.0000 175.0931 1013 L 4.1861 8.1431 120.5539 56.2424 42.3219 177.9459 1014 V 4.0120 7.8116 117.5004 64.7557 33.4360 175.3740 *1015 N 4.5599 8.1070 119.0817 52.4695 38.1476 175.6705 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 768 R 8.25 4.26 0.00 1.77 2.05 0.00 3.28 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 769 P 0.00 4.20 0.00 2.14 1.87 0.00 3.54 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 2.15 2.13 0.00 770 P 0.00 4.22 0.00 2.17 2.25 0.00 3.63 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 771 L 7.76 4.08 0.00 1.57 1.66 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 772 Q 7.73 3.53 0.00 1.98 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.91 0.00 0.00 0.00 0.00 0.00 1.16 1.76 0.00 773 E 8.03 4.05 0.00 2.13 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 0.00 2.44 2.45 0.00 774 Y 8.01 4.21 0.00 3.05 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 0.00 775 V 7.84 3.27 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 0.88 0.00 0.00 0.90 0.00 0.00 776 R 7.98 3.40 0.00 2.13 1.98 0.00 3.38 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.95 0.00 777 K 8.02 3.94 0.00 2.00 1.97 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.40 0.00 0.00 0.00 0.00 1.59 1.49 7.81 778 L 7.77 3.84 0.00 1.58 1.49 -0.02 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 779 L 7.48 3.96 0.00 0.94 1.43 0.66 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 780 Y 7.84 4.75 0.00 3.04 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 781 K 7.89 4.32 0.00 1.89 1.80 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.34 1.45 7.81 782 D 8.36 4.41 0.00 2.75 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 0.00 783 L 7.52 4.03 0.00 1.70 1.68 0.87 1.20 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 0.00 784 S 8.41 4.56 0.00 4.01 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 0.00 785 K 8.65 3.96 0.00 1.76 1.91 0.00 1.79 0.00 0.00 1.88 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.54 7.81 786 V 7.44 4.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.94 0.00 0.00 787 T 7.53 4.56 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 1.21 0.00 0.00 788 T 7.92 3.86 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 1.23 0.00 0.00 789 E 8.10 3.99 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 790 K 7.94 3.95 0.00 1.82 1.95 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.50 7.81 791 V 7.84 3.56 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.95 0.00 0.00 792 L 7.92 3.92 0.00 1.92 1.91 0.99 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 793 R 7.59 3.87 0.00 2.03 2.09 0.00 3.31 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 794 Q 7.95 4.18 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 795 M 8.38 4.10 0.00 2.25 2.32 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.85 0.00 796 R 8.01 4.19 0.00 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1.46 7.81 821 Y 8.95 4.02 0.00 3.04 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 0.00 822 N 8.29 4.72 0.00 2.92 3.03 0.00 0.00 5.83 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 823 S 7.89 4.50 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 0.00 824 I 7.47 3.54 1.76 0.00 0.00 0.64 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 1.28 0.88 0.00 0.00 825 H 8.06 4.30 0.00 3.68 3.86 0.00 5.66 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 826 C 7.44 4.05 0.00 2.92 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 0.00 827 V 7.55 3.52 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.76 0.00 0.00 828 A 7.96 4.07 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 0.00 829 N 7.44 3.81 0.00 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0.00 0.00 854 R 7.88 3.73 0.00 1.79 1.97 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.50 0.00 855 L 7.77 4.35 0.00 1.84 1.63 0.99 0.69 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 0.00 856 G 8.31 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 0.00 857 M 7.75 4.32 0.00 2.48 2.53 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.05 2.87 0.00 858 E 8.22 4.28 0.00 2.20 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 0.00 2.63 2.71 0.00 859 V 8.12 3.71 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.94 0.00 0.00 860 N 8.11 4.26 0.00 3.07 2.81 0.00 0.00 7.29 6.62 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 0.00 861 Q 7.43 4.56 0.00 2.32 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.79 6.52 0.00 0.00 0.00 0.00 0.00 2.31 2.55 0.00 862 P 0.00 4.10 0.00 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0.00 0.00 920 R 7.62 3.83 0.00 1.41 1.64 0.00 3.18 0.00 0.00 3.46 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 921 L 7.25 3.50 0.00 0.75 0.13 0.63 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 922 V 7.49 3.62 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 0.38 0.00 0.00 1.09 0.00 0.00 923 C 7.94 4.15 0.00 3.10 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 0.00 924 T 7.97 3.92 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 1.32 0.00 0.00 925 I 7.68 3.83 1.86 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.11 0.80 0.00 0.00 926 L 8.01 3.99 0.00 1.67 1.71 0.92 0.93 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 0.00 927 D 8.04 4.45 0.00 2.89 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 0.00 928 T 7.23 4.32 4.40 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0.00 0.00 953 V 7.66 3.28 1.77 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 0.45 0.00 0.00 0.28 0.00 0.00 954 W 7.95 3.82 0.00 3.43 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 0.00 955 W 8.16 4.55 0.00 3.39 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 0.00 956 K 7.87 4.27 0.00 1.89 2.09 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.21 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.07 1.48 7.81 957 K 7.73 3.45 0.00 1.20 1.20 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 958 S 8.08 4.58 0.00 4.19 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 0.00 959 L 7.55 4.26 0.00 1.69 1.51 1.11 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 960 E 8.60 4.06 0.00 2.04 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 2.20 2.20 0.00 961 V 7.48 3.38 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 0.36 0.00 0.00 962 W 7.22 5.03 0.00 3.37 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 0.00 963 T 8.77 4.86 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 1.24 0.00 0.00 964 K 8.87 3.99 0.00 1.80 1.96 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.83 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.49 1.52 7.81 965 D 7.61 4.56 0.00 2.75 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 0.00 966 H 7.97 4.92 0.00 3.22 3.18 0.00 5.78 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 967 P 0.00 4.94 0.00 2.22 2.08 0.00 3.87 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 968 F 8.59 2.55 0.00 2.30 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 969 P 0.00 4.10 0.00 1.81 1.73 0.00 2.20 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.78 0.00 970 I 8.22 3.43 1.71 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.26 0.86 0.00 0.00 971 D 7.90 4.48 0.00 2.68 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 0.00 972 I 7.48 3.68 1.72 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 1.45 0.86 0.94 0.00 0.00 973 D 7.67 4.31 0.00 2.45 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 974 Y 7.87 4.42 0.00 3.14 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 0.00 975 M 8.18 4.09 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.65 0.00 976 I 7.80 3.87 2.01 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 1.68 0.66 0.92 0.00 0.00 977 S 8.17 4.21 0.00 4.13 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 0.00 978 D 8.38 4.36 0.00 2.81 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 979 T 7.91 3.90 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 980 L 8.16 4.10 0.00 1.99 1.79 1.23 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 981 E 8.55 4.16 0.00 2.12 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 0.00 2.36 2.43 0.00 982 L 7.57 4.05 0.00 1.70 1.95 0.90 1.32 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 0.00 983 L 7.59 4.42 0.00 1.78 1.76 1.00 1.10 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 0.00 984 R 8.33 4.59 0.00 1.90 1.83 0.00 3.35 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.79 0.00 985 P 0.00 4.41 0.00 2.04 2.14 0.00 3.73 0.00 0.00 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 986 K 7.84 4.41 0.00 1.75 1.83 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.42 7.81 987 I 7.44 3.69 1.99 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 1.21 0.77 0.97 0.00 0.00 988 K 8.41 4.21 0.00 1.72 1.71 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.50 7.81 989 L 8.38 4.47 0.00 1.72 1.65 1.02 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 990 C 8.90 4.58 0.00 3.08 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 991 N 8.71 4.99 0.00 2.61 2.79 0.00 0.00 6.82 7.24 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 0.00 992 S 6.25 2.82 0.00 3.61 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 0.00 993 L 7.20 3.62 0.00 1.86 1.60 1.11 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 994 E 7.74 3.83 0.00 1.92 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 995 E 7.68 3.80 0.00 1.85 1.79 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 2.17 2.20 0.00 996 S 7.63 4.10 0.00 4.04 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 0.00 997 I 7.80 3.67 1.94 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 1.57 0.69 0.91 0.00 0.00 998 R 7.95 3.89 0.00 1.93 1.89 0.00 3.05 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 999 Q 7.88 3.87 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 1000 V 7.38 3.22 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.60 0.00 0.00 1001 Q 8.31 3.92 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 1002 D 8.27 4.27 0.00 2.55 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 1003 L 7.64 3.61 0.00 1.49 1.43 0.55 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 1004 E 8.13 3.81 0.00 2.06 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 0.00 2.52 2.37 0.00 1005 R 7.86 3.85 0.00 1.97 2.01 0.00 3.07 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 1006 E 7.74 3.94 0.00 2.03 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 2.30 2.40 0.00 1007 F 7.76 4.51 0.00 3.22 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 1008 L 8.21 4.00 0.00 1.94 1.92 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 1009 I 7.56 3.71 2.06 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 1.53 0.74 0.93 0.00 0.00 1010 K 7.90 4.10 0.00 2.01 1.91 0.00 1.87 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.55 7.81 1011 L 8.36 4.25 0.00 1.63 1.73 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 1012 G 7.90 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 1013 L 8.14 4.19 0.00 1.67 1.76 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 1014 V 7.81 4.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.94 0.00 0.00 *1015 N 8.11 4.56 0.00 2.54 2.62 0.00 0.00 6.50 7.56 0.00 0.00 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.