NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 739 L 4.2504 8.0385 122.4923 54.7360 43.6753 177.5028 740 A 3.8700 8.5862 127.9131 54.2954 18.3866 178.1817 741 R 3.8336 8.1300 117.0234 59.6144 30.6875 176.5852 742 E 3.9268 8.1981 118.4045 59.2202 29.6705 178.4830 743 A 4.0270 8.0285 120.3139 54.8790 18.4108 179.5879 744 A 3.9557 7.9859 119.0868 55.4791 18.5847 179.9420 745 L 3.8860 7.9901 117.5105 57.7987 41.6175 179.8438 746 S 4.0840 8.1315 113.3147 61.1299 62.3814 176.1396 747 K 3.9674 8.0785 122.3665 59.6857 31.9447 178.8724 748 I 3.6668 7.7549 120.2433 64.2060 36.8287 178.7079 749 G 3.6326 8.1444 106.7353 47.5680 0.0000 175.4501 750 E 3.9607 8.0828 121.6146 59.0764 29.7959 178.9136 751 L 3.9581 8.0075 118.7343 57.8603 41.6885 179.4113 752 A 3.9954 8.3218 121.0135 55.0977 18.1736 179.8450 753 S 4.1832 8.5042 114.0802 61.8685 63.0085 176.7101 754 E 3.9811 8.0982 121.0350 59.6211 29.1650 179.6470 755 I 3.4113 7.5859 119.5440 64.1538 37.0971 178.3527 756 F 4.2370 8.5892 121.7637 61.2277 39.1772 176.9869 757 A 4.1813 8.3636 122.1465 54.5507 17.9949 179.2961 758 E 3.9070 8.0403 117.7738 59.5034 29.5934 179.0069 759 F 4.7111 8.3271 116.8559 59.4649 39.0453 176.0981 760 T 4.5301 7.5391 108.4833 60.6535 68.7936 173.9613 761 E 3.8476 8.9171 118.9314 58.1609 27.5749 175.9243 762 G 3.9295 8.8113 104.5384 45.6238 0.0000 175.3995 763 K 3.9600 8.1423 122.2033 58.3613 32.0912 176.7119 764 Y 4.9895 7.5455 115.5067 56.1016 39.9901 176.5267 765 S 4.6029 8.8921 119.9648 60.7815 64.2760 173.6030 766 E 4.8744 8.0623 116.4877 55.6796 32.6568 174.1712 767 V 4.7957 9.2630 120.8733 61.1104 33.7914 174.6228 768 V 4.3417 9.3726 128.8548 61.2385 33.6837 174.4275 769 V 4.6217 8.5120 128.3564 61.6514 32.1440 174.7822 770 R 4.4899 9.4722 128.3814 54.6607 31.8107 176.0099 771 A 4.0197 8.5231 124.4927 52.3174 19.2055 176.7629 *776 V 4.3324 8.0409 119.8943 63.8723 32.3377 174.8409 777 R 4.6998 9.2267 126.7048 54.3572 33.4596 174.8347 778 L 5.2730 8.1279 121.5183 53.3536 43.9215 175.8595 779 F 4.9287 9.3202 120.0392 55.9436 43.7776 174.0673 780 V 4.9898 8.6422 114.1727 59.7291 35.2969 174.7266 781 V 4.8957 8.8532 123.7828 61.3468 33.4651 174.4144 782 W 5.1703 8.9754 135.0000 55.9901 33.8604 174.9554 783 E 3.1950 9.2522 127.1380 57.4019 26.3681 175.6616 784 G 3.9004 8.3115 103.5452 45.4020 0.0000 173.4169 785 K 4.6854 7.7853 121.1201 54.1859 35.4399 174.9754 786 E 4.8834 8.9781 126.8763 56.5286 30.1430 176.3238 787 R 5.0241 9.6685 123.5964 53.6695 34.2387 174.0440 788 P 4.5130 0.0000 0.0000 62.0567 32.2666 177.8678 789 L 4.0029 8.0300 119.8899 57.5773 41.7014 179.6656 790 T 3.6678 7.6779 107.8732 64.0126 68.4524 174.8363 791 F 4.4780 7.5892 118.9357 58.2771 39.4506 176.0412 792 L 4.2425 7.7656 121.9520 54.2799 42.1730 177.6585 793 R 4.4676 8.9088 120.0703 55.0698 32.1041 177.6135 794 G 3.9785 8.7672 105.1591 48.6541 0.0000 175.9286 795 G 3.7505 8.1113 107.9416 47.1789 0.0000 175.2512 796 E 4.2437 8.2197 120.1150 59.0348 29.4616 179.4402 797 R 3.8990 7.9426 118.5794 59.2031 30.1297 178.9841 798 I 3.7033 7.6933 118.9667 64.3951 37.0616 178.3689 799 A 4.2094 8.2906 121.6301 55.0578 18.1801 179.5415 800 L 3.5821 8.4468 119.1368 58.0782 42.2106 179.3332 801 G 3.6334 8.3064 105.9862 47.9307 0.0000 175.6827 802 L 4.1260 8.1528 121.3023 57.3183 41.6844 179.3156 803 A 3.9051 8.4635 120.9953 55.1949 18.3448 179.5203 804 F 3.9770 8.4670 119.2201 61.3298 39.4167 177.6889 805 R 3.9424 8.1133 117.6863 59.3060 29.9321 179.0539 806 L 4.0271 8.4746 118.9980 57.5533 41.4773 179.4938 807 A 3.9432 7.9157 120.8493 55.4338 18.2621 179.5767 808 M 3.8990 7.7626 117.1950 58.3801 31.8668 178.9093 809 S 4.0935 8.1978 113.3266 61.4669 62.5147 176.3428 810 L 3.9940 8.0275 121.6030 57.8655 41.1528 178.6835 811 Y 3.9931 8.1494 118.8069 60.7481 38.7643 177.9148 812 L 4.1057 8.1388 118.2047 56.7840 42.0363 178.2312 813 A 4.4871 8.5180 119.4825 51.3867 19.6278 178.7919 814 G 3.9631 9.5818 105.4437 45.4332 0.0000 172.8672 815 E 4.6714 7.0592 113.8050 55.9178 32.4093 175.0008 816 I 4.4959 8.3150 119.8839 59.8071 39.7837 174.8610 817 S 4.6061 8.7640 119.5277 59.5186 64.5864 173.3693 818 L 5.2676 7.8174 122.1232 52.2272 44.6373 174.6919 819 L 4.8021 8.7608 126.5863 53.4276 45.6302 174.7932 820 I 4.8711 8.5789 126.5209 59.7904 39.6348 175.4440 821 L 4.3619 9.0687 129.4165 53.4296 42.2033 174.8117 822 D 4.7104 8.6072 124.7502 53.0057 38.8935 175.1785 823 E 3.8665 8.4861 130.2482 56.0281 28.8131 174.5571 824 P 4.5072 0.0000 0.0000 65.4203 32.5443 177.1951 825 T 4.7087 7.3303 106.1340 58.7600 68.2971 172.3861 826 P 4.5541 0.0000 0.0000 65.7853 31.8979 177.1620 827 Y 4.0782 7.3909 117.6422 56.7091 38.7710 174.5828 828 L 4.5061 7.6889 126.9172 52.4929 44.7599 175.9195 829 D 4.8284 8.0888 126.2090 51.7607 43.3143 175.6904 830 E 3.8764 8.5608 118.2056 60.0230 29.6699 179.2962 831 E 3.9699 8.1240 117.9168 59.5344 29.5637 179.4203 832 R 3.9319 9.0330 118.3549 59.2460 30.0697 179.1107 833 R 3.8337 8.0213 118.3676 59.5627 30.0702 178.7859 834 R 3.8865 8.0130 117.8680 59.0080 29.9539 179.0215 835 K 3.8887 8.0884 119.4932 59.3505 32.1577 178.6208 836 L 3.8563 8.0595 120.7484 58.2680 42.0244 179.0078 837 I 3.6698 7.9620 119.8872 64.5644 37.1119 178.5752 838 T 3.8491 8.0371 116.6078 66.7870 68.3124 176.7634 839 I 3.4637 7.9266 122.0204 64.3805 36.9126 178.4026 840 M 4.0533 8.1880 119.6873 58.6802 31.7137 178.7300 841 E 4.1393 8.1886 117.0014 58.2022 29.7309 178.4666 842 R 4.5106 7.8193 114.3172 56.3757 31.0114 175.3859 843 Y 4.4976 7.7113 117.1913 59.0868 41.0810 177.2594 844 L 4.3917 8.3789 119.5119 57.7854 41.8373 179.2494 845 K 4.2548 7.8026 115.4559 57.6008 31.9572 177.6510 846 K 4.2291 8.0884 118.2933 56.7544 32.5957 176.8341 847 I 4.1743 7.2565 120.7211 59.5484 38.1389 173.7961 848 P 4.4014 0.0000 0.0000 65.3610 31.5011 176.4463 849 Q 4.5765 8.2124 118.4390 54.5232 32.6109 173.3385 850 V 4.9142 8.5119 125.4336 61.1690 34.7335 174.2964 851 I 4.4463 9.0201 128.9686 59.5775 39.4685 174.1632 852 L 5.0503 8.5933 129.6093 53.1946 43.9730 175.3417 853 V 4.3944 8.6042 126.9565 61.3784 33.4277 174.4991 854 S 5.1498 8.7743 120.9996 58.1371 65.6161 173.0335 855 H 4.6833 8.5782 115.3232 55.0299 28.9957 173.6133 856 D 4.6183 7.7803 121.5942 52.9167 41.1269 176.4839 857 E 3.9918 8.7722 127.8320 59.6373 29.0729 179.0906 858 E 4.0437 8.3525 117.8367 59.1097 29.5280 178.7515 859 L 3.9295 7.7922 118.2670 56.2447 41.6130 179.0028 860 K 3.9644 8.0515 119.7240 60.1867 32.0695 178.7510 861 D 4.4500 7.6147 118.4549 56.1503 40.6856 176.8052 862 A 4.6237 7.6095 120.4935 51.5922 19.0562 176.1792 863 A 4.8157 7.4540 119.9796 51.4517 21.6608 177.1194 864 D 4.5513 8.5045 118.6099 56.1612 41.7581 177.2796 865 H 5.2043 7.7631 113.5657 54.0387 32.8847 173.4227 866 V 4.6822 8.2361 120.9078 61.2187 35.0844 173.8370 867 I 5.0930 8.3684 119.2071 59.1723 41.0057 174.1047 868 R 4.7184 9.2304 124.1559 54.6612 32.7745 174.4088 869 I 5.2289 8.3204 125.8203 59.7035 40.2267 174.8057 870 S 4.6640 8.7471 119.3958 56.8935 66.9779 172.6720 871 L 4.7007 8.4113 123.4317 54.4570 42.8570 175.7272 872 E 4.4954 9.2799 126.2632 55.3463 31.9646 175.5963 873 N 3.8499 9.9166 123.9281 54.6553 37.3301 174.8422 874 G 4.0237 8.7473 103.1173 45.2773 0.0000 173.7609 875 S 4.8048 7.7503 114.9604 56.2847 67.4681 173.7618 876 S 4.6754 8.7573 119.0333 58.6983 63.5533 173.5718 877 K 4.5893 9.4684 125.3657 54.5823 35.1648 174.6657 878 V 4.7529 8.4455 126.8695 61.3978 33.4055 174.2923 879 E 4.6311 9.1684 128.6153 54.2360 32.4149 174.6250 880 V 4.0771 8.5315 127.6179 62.9333 31.6040 175.4165 881 V 4.1669 8.8913 128.4010 64.3052 33.0353 175.9310 882 S 4.1956 7.7565 119.9825 58.9406 63.7432 173.7902 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 739 L 8.04 4.25 0.00 1.74 1.62 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 740 A 8.59 3.87 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 741 R 8.13 3.83 0.00 1.90 1.95 0.00 3.20 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 742 E 8.20 3.93 0.00 2.08 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 2.38 2.38 0.00 743 A 8.03 4.03 1.45 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 0.00 0.00 744 A 7.99 3.96 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 745 L 7.99 3.89 0.00 1.75 1.74 1.02 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 746 S 8.13 4.08 0.00 4.00 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 0.00 747 K 8.08 3.97 0.00 2.12 2.05 0.00 1.65 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.71 1.77 7.81 748 I 7.75 3.67 1.65 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 -0.19 0.46 0.00 0.00 749 G 8.14 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 750 E 8.08 3.96 0.00 2.10 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 0.00 2.33 2.38 0.00 751 L 8.01 3.96 0.00 1.86 1.69 1.02 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 752 A 8.32 4.00 1.45 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 0.00 0.00 753 S 8.50 4.18 0.00 4.09 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 0.00 754 E 8.10 3.98 0.00 2.18 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 2.54 0.00 755 I 7.59 3.41 1.61 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 1.33 0.78 -0.28 0.00 0.00 756 F 8.59 4.24 0.00 3.06 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 0.00 757 A 8.36 4.18 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 758 E 8.04 3.91 0.00 2.23 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 2.41 2.67 0.00 759 F 8.33 4.71 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 760 T 7.54 4.53 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 0.78 0.00 0.00 761 E 8.92 3.85 0.00 2.04 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 0.00 2.28 2.31 0.00 762 G 8.81 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 0.00 763 K 8.14 3.96 0.00 1.74 1.76 0.00 1.73 0.00 0.00 1.84 0.00 0.00 2.40 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.79 1.39 7.81 764 Y 7.55 4.99 0.00 3.01 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 0.00 765 S 8.89 4.60 0.00 3.94 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 0.00 766 E 8.06 4.87 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 767 V 9.26 4.80 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 0.77 0.00 0.00 0.87 0.00 0.00 768 V 9.37 4.34 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 0.93 0.00 0.00 1.04 0.00 0.00 769 V 8.51 4.62 2.14 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 0.94 0.00 0.00 1.10 0.00 0.00 770 R 9.47 4.49 0.00 2.15 1.88 0.00 3.15 0.00 0.00 2.86 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.53 0.00 771 A 8.52 4.02 1.27 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 0.00 0.00 0.00 *776 V 8.04 4.33 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 0.98 0.00 0.00 0.94 0.00 0.00 777 R 9.23 4.70 0.00 1.99 1.69 0.00 3.28 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 778 L 8.13 5.27 0.00 1.21 1.35 0.16 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 779 F 9.32 4.93 0.00 2.92 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 0.00 780 V 8.64 4.99 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 0.51 0.00 0.00 1.03 0.00 0.00 781 V 8.85 4.90 2.24 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 1.03 0.00 0.00 1.04 0.00 0.00 782 W 8.98 5.17 0.00 3.55 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 0.00 783 E 9.25 3.19 0.00 1.30 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 784 G 8.31 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 785 K 7.79 4.69 0.00 1.85 1.71 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.42 7.81 786 E 8.98 4.88 0.00 1.92 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 2.38 2.37 0.00 787 R 9.67 5.02 0.00 1.86 1.96 0.00 3.38 0.00 0.00 3.33 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.88 0.00 788 P 0.00 4.51 0.00 2.14 1.88 0.00 4.21 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 789 L 8.03 4.00 0.00 1.51 1.54 0.67 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 790 T 7.68 3.67 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 1.02 0.00 0.00 791 F 7.59 4.48 0.00 3.21 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 0.00 792 L 7.77 4.24 0.00 1.68 1.59 0.74 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 793 R 8.91 4.47 0.00 2.12 2.10 0.00 2.98 0.00 0.00 3.58 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.94 0.00 794 G 8.77 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 0.00 795 G 8.11 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 0.00 0.00 0.00 796 E 8.22 4.24 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.50 0.00 797 R 7.94 3.90 0.00 2.06 1.94 0.00 3.08 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.84 0.00 798 I 7.69 3.70 2.06 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 1.49 0.60 0.91 0.00 0.00 799 A 8.29 4.21 1.69 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 0.00 0.00 800 L 8.45 3.58 0.00 1.22 1.59 -0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 801 G 8.31 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 802 L 8.15 4.13 0.00 1.92 1.87 0.89 1.01 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 0.00 803 A 8.46 3.91 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 804 F 8.47 3.98 0.00 3.16 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 0.00 805 R 8.11 3.94 0.00 2.11 2.00 0.00 3.41 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.88 0.00 806 L 8.47 4.03 0.00 1.75 1.77 0.90 0.85 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 0.00 807 A 7.92 3.94 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 0.00 0.00 808 M 7.76 3.90 0.00 2.01 2.15 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 2.16 2.09 0.00 809 S 8.20 4.09 0.00 3.91 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 0.00 810 L 8.03 3.99 0.00 1.92 1.73 0.98 0.56 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 0.00 811 Y 8.15 3.99 0.00 2.94 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 0.00 812 L 8.14 4.11 0.00 1.73 1.72 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 813 A 8.52 4.49 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 814 G 9.58 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 0.00 815 E 7.06 4.67 0.00 2.07 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 816 I 8.32 4.50 1.92 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.73 0.97 0.00 0.00 817 S 8.76 4.61 0.00 3.89 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 0.00 818 L 7.82 5.27 0.00 1.63 1.56 1.07 0.85 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 0.00 819 L 8.76 4.80 0.00 1.83 1.49 0.98 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 820 I 8.58 4.87 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.81 0.93 0.00 0.00 821 L 9.07 4.36 0.00 1.61 1.64 0.96 0.73 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 0.00 822 D 8.61 4.71 0.00 2.68 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 0.00 823 E 8.49 3.87 0.00 2.14 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 2.27 2.31 0.00 824 P 0.00 4.51 0.00 2.24 2.19 0.00 3.77 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 825 T 7.33 4.71 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 1.23 0.00 0.00 826 P 0.00 4.55 0.00 2.26 2.29 0.00 3.41 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 827 Y 7.39 4.08 0.00 3.08 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 0.00 828 L 7.69 4.51 0.00 1.49 1.44 0.82 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 829 D 8.09 4.83 0.00 2.91 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 0.00 830 E 8.56 3.88 0.00 2.05 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 2.38 2.40 0.00 831 E 8.12 3.97 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 832 R 9.03 3.93 0.00 1.97 2.00 0.00 3.36 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.87 0.00 833 R 8.02 3.83 0.00 1.95 2.06 0.00 3.07 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 834 R 8.01 3.89 0.00 2.04 1.96 0.00 3.18 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 835 K 8.09 3.89 0.00 1.89 1.96 0.00 1.51 0.00 0.00 1.53 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.65 1.43 7.81 836 L 8.06 3.86 0.00 1.83 1.75 0.87 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 837 I 7.96 3.67 1.97 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 1.50 0.88 0.89 0.00 0.00 838 T 8.04 3.85 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 1.20 0.00 0.00 839 I 7.93 3.46 1.74 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.42 0.41 0.00 0.00 840 M 8.19 4.05 0.00 2.04 2.24 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.57 0.00 841 E 8.19 4.14 0.00 1.96 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 2.34 2.31 0.00 842 R 7.82 4.51 0.00 2.06 2.08 0.00 3.19 0.00 0.00 3.52 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.77 0.00 843 Y 7.71 4.50 0.00 3.22 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 0.00 844 L 8.38 4.39 0.00 1.99 1.80 0.94 0.88 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 0.00 845 K 7.80 4.25 0.00 1.74 1.85 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.47 1.62 7.81 846 K 8.09 4.23 0.00 1.49 1.70 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.52 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.35 1.42 7.81 847 I 7.26 4.17 1.99 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.88 1.02 0.00 0.00 848 P 0.00 4.40 0.00 2.24 2.14 0.00 3.87 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 849 Q 8.21 4.58 0.00 2.11 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 850 V 8.51 4.91 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 0.92 0.00 0.00 1.01 0.00 0.00 851 I 9.02 4.45 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.56 0.92 0.00 0.00 852 L 8.59 5.05 0.00 1.63 1.54 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 853 V 8.60 4.39 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 0.88 0.00 0.00 0.94 0.00 0.00 854 S 8.77 5.15 0.00 3.83 3.64 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 0.00 855 H 8.58 4.68 0.00 3.23 3.37 0.00 5.76 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 856 D 7.78 4.62 0.00 2.59 2.49 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 0.00 857 E 8.77 3.99 0.00 2.00 1.98 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 2.40 2.35 0.00 858 E 8.35 4.04 0.00 2.34 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 2.38 2.45 0.00 859 L 7.79 3.93 0.00 1.64 1.68 0.87 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 860 K 8.05 3.96 0.00 1.99 2.07 0.00 1.30 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.68 1.48 7.81 861 D 7.61 4.45 0.00 2.49 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 0.00 862 A 7.61 4.62 1.26 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 0.00 863 A 7.45 4.82 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 0.00 864 D 8.50 4.55 0.00 2.57 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 865 H 7.76 5.20 0.00 2.99 3.13 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 866 V 8.24 4.68 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 0.99 0.00 0.00 0.93 0.00 0.00 867 I 8.37 5.09 1.94 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.84 0.92 0.00 0.00 868 R 9.23 4.72 0.00 1.83 1.78 0.00 3.03 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 869 I 8.32 5.23 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.80 0.96 0.00 0.00 870 S 8.75 4.66 0.00 3.86 3.90 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 0.00 0.00 0.00 871 L 8.41 4.70 0.00 1.66 1.62 0.89 0.85 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 0.00 872 E 9.28 4.50 0.00 1.94 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 2.21 2.34 0.00 873 N 9.92 3.85 0.00 2.81 2.84 0.00 0.00 7.33 7.98 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 0.00 874 G 8.75 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 0.00 875 S 7.75 4.80 0.00 3.75 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 0.00 876 S 8.76 4.68 0.00 3.75 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 0.00 877 K 9.47 4.59 0.00 1.73 1.60 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.34 7.81 878 V 8.45 4.75 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 0.82 0.00 0.00 0.93 0.00 0.00 879 E 9.17 4.63 0.00 2.01 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 2.18 2.21 0.00 880 V 8.53 4.08 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 0.80 0.00 0.00 0.93 0.00 0.00 881 V 8.89 4.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.93 0.00 0.00 882 S 7.76 4.20 0.00 3.95 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 * Residues marked with a * may have inaccurate shift predictions.