NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 644 S 4.4490 8.1933 115.2911 58.1648 63.0791 174.2553 645 T 3.8072 8.4364 126.2529 64.8294 68.2709 175.3325 646 S 4.1465 8.1997 116.1089 61.3404 63.5671 175.9258 647 L 4.0177 8.0773 124.0229 57.8694 41.8078 179.1034 648 S 4.2100 8.0323 114.7136 61.5592 62.8912 176.3542 649 L 3.9730 8.2485 123.2477 58.1780 41.8517 178.7273 650 F 3.9922 8.4938 120.6244 61.6666 39.3449 176.7660 651 Y 3.6054 8.3336 116.2448 60.5485 37.0686 178.2861 652 K 4.1712 8.3581 119.8461 59.2947 32.0619 179.5747 653 K 3.9332 7.8618 118.5653 59.4757 32.1370 179.5697 654 V 3.3521 7.2641 118.3669 66.1518 31.1997 177.6841 655 Y 4.7273 7.8755 116.5445 61.2556 37.6139 178.4158 656 R 3.9420 7.9007 118.9258 59.0464 29.6185 178.3683 657 L 3.9647 8.1606 120.3704 57.9018 41.9983 178.7101 658 A 4.1848 8.5559 121.2224 55.4086 18.2415 179.0232 659 Y 3.7022 8.0227 118.0664 60.5891 38.8021 178.0816 660 L 3.6998 7.5843 120.0093 57.8939 41.5303 179.7987 661 R 4.0508 7.7562 116.9150 58.7919 29.8819 178.7828 662 L 4.0728 7.7404 120.4086 58.1654 42.2636 178.1520 663 N 4.4414 7.7312 118.4029 56.5253 38.7745 176.9595 664 T 3.8762 7.6738 116.3342 66.2920 68.3541 176.3667 665 L 4.0122 7.6141 122.1224 57.7938 42.1752 178.5397 666 C 4.2294 8.3828 117.2466 62.2209 27.9944 174.9874 667 E 4.2824 8.1304 117.7263 57.4745 29.3092 177.8488 668 R 4.5054 7.3418 114.7328 56.1404 31.9705 177.0208 669 L 4.6262 7.6532 117.2042 54.9328 43.4423 177.2437 670 L 4.7776 7.6983 117.1114 54.2887 42.1260 178.3447 671 S 3.7402 8.2558 115.9096 61.2117 62.5601 174.9740 672 E 4.2590 8.0787 117.9213 57.2636 30.4225 175.5959 673 H 4.9741 8.7403 116.7899 53.3530 29.1992 172.9388 674 P 4.4061 0.0000 0.0000 64.3857 31.6376 176.9901 675 E 4.4283 7.9792 115.9233 57.1106 30.1612 178.0635 676 L 3.8358 8.0782 121.1284 57.7565 41.6335 178.2731 677 E 4.0697 8.3052 118.9805 59.9773 29.4462 178.4320 678 H 4.3768 8.3612 117.2559 59.4472 29.7370 177.0859 679 I 3.7093 7.4233 121.2519 64.4109 36.8518 178.4168 680 I 3.7161 8.5930 121.3406 64.2830 36.9207 178.3632 681 W 4.6133 8.9881 129.3646 60.7153 30.4814 178.2073 682 T 3.6903 7.8202 115.7518 66.1750 67.7935 176.5064 683 L 4.0675 7.6852 122.0870 58.1142 42.3284 178.4836 684 F 4.4248 8.4530 120.8440 61.6173 39.2707 176.9066 685 Q 3.5004 7.7441 118.9223 59.3288 28.7140 177.3424 686 H 4.0779 8.5282 119.6531 59.7072 29.7257 177.0174 687 T 3.8939 8.2779 117.3441 66.9349 68.1958 176.4971 688 L 4.2775 7.9132 119.1397 57.8630 41.7526 178.9037 689 Q 4.2929 8.1864 118.2723 57.6679 29.2841 176.4439 690 N 4.9445 8.4034 115.9126 53.3602 41.0380 175.2158 691 E 4.5909 8.3412 120.7378 55.4792 30.3980 177.5846 692 Y 4.3262 8.0642 119.7019 60.6358 38.0024 177.1222 693 E 4.3358 7.5260 119.2940 58.6700 29.3013 178.4524 694 L 4.2242 7.9803 119.7696 57.5088 42.4289 177.9316 695 M 4.5224 8.6280 118.4506 55.8860 31.9318 175.3188 696 R 4.0830 7.2182 118.6840 57.8365 30.1073 175.2493 697 D 4.5730 8.9962 123.8292 55.2497 38.2329 173.5214 698 R 4.7516 8.3140 118.7791 54.7439 33.9138 173.6134 699 H 4.8668 8.9509 117.4511 54.2738 32.4249 174.2684 700 L 4.0800 8.7856 128.5843 58.9615 41.9712 179.1569 701 D 4.5851 8.5996 117.1622 56.7736 40.8379 178.5650 702 Q 3.9378 8.5001 119.7622 58.7802 28.7688 178.3464 703 I 3.7317 7.6675 120.4506 64.2769 37.2106 177.6485 704 M 2.6504 7.7837 119.1078 58.6267 31.9575 178.0293 705 M 3.9368 7.7848 118.1636 58.8127 32.2554 178.7813 706 C 4.1871 7.8401 116.1418 62.5538 28.1813 176.4438 707 S 4.3008 7.6421 117.1649 61.6298 62.3976 176.3094 708 M 3.9722 7.9688 121.4142 58.5588 31.7124 178.2013 709 Y 3.6406 7.9413 119.6551 60.5683 38.7840 178.1159 710 G 3.9685 8.1253 106.5951 48.9776 0.0000 175.5550 711 I 3.8151 7.6752 121.3825 63.9159 37.0692 178.3285 712 C 4.0278 7.7067 117.5393 62.4679 27.7209 175.8954 713 K 3.6649 7.5454 120.4070 59.3477 31.7683 178.6893 714 V 3.8339 7.3529 117.6686 64.9040 31.4740 177.0572 715 K 4.3902 7.3378 116.7713 55.5562 32.0299 176.3134 716 N 4.2254 7.8234 114.0436 54.2018 36.0305 173.8763 717 I 4.1747 7.5929 118.5401 60.2205 38.3691 176.1595 718 D 4.4686 8.2133 124.3564 52.4799 39.5444 174.0292 719 L 4.5155 7.4983 123.7138 52.0053 42.8479 175.6356 720 K 4.4083 8.1566 124.5600 55.6337 33.0346 178.4578 721 F 3.9004 8.9221 121.3671 60.7161 38.5270 178.0074 722 K 3.8960 8.0744 118.7492 59.5544 32.0349 178.7838 723 I 3.8140 7.9239 120.1397 63.9781 36.9484 178.4533 724 I 3.6247 7.6278 120.3417 64.5022 37.0473 178.2867 725 V 3.4434 7.9802 119.1944 66.4501 30.9299 178.2127 726 T 3.8168 7.4835 114.2206 66.3593 68.5386 176.3614 727 A 4.1169 7.9734 122.8643 55.1136 18.3679 178.8276 728 Y 4.0970 8.6661 118.4966 61.1107 38.6640 178.5941 729 K 3.7781 8.5268 117.9238 59.6261 32.1820 178.4812 730 D 4.4154 7.8623 117.8972 55.5112 41.5115 177.0158 731 L 4.0234 7.4213 120.5263 53.8649 42.0649 176.4865 732 P 4.3414 0.0000 0.0000 64.9275 31.3425 176.5121 733 H 4.7574 7.5041 112.0139 54.7425 29.4596 174.1316 734 A 3.9223 7.3948 123.6505 52.4294 18.8686 177.1967 735 V 4.4167 8.0681 120.4181 60.5185 34.6043 176.4503 736 Q 3.3795 8.4661 124.9159 57.5552 28.5165 178.0798 737 E 3.7866 7.7315 120.7451 59.0788 29.5352 178.2664 738 T 3.7749 7.5905 115.5307 65.5995 68.8691 175.2673 739 F 4.7488 7.0788 114.1884 57.1245 39.1597 177.4605 740 K 4.4351 7.2434 117.9149 57.0225 32.4456 176.2211 741 R 4.5529 7.9298 118.6076 54.2019 31.5023 174.3873 742 V 4.4399 8.8685 125.8146 60.1899 34.8203 174.3274 743 L 3.0775 8.5085 129.9067 55.5504 41.9743 175.1623 744 I 4.4044 8.2776 125.9979 61.1318 40.9763 177.9918 745 K 4.1333 8.2059 120.9097 56.8775 31.4013 176.8125 746 E 4.4767 9.5558 119.9726 58.2270 31.7493 177.4921 747 E 4.6266 7.9611 115.8224 55.5889 31.8948 175.8348 748 E 4.4342 7.9094 120.4393 56.1026 30.9548 174.9216 749 Y 5.1879 8.4719 122.3553 56.8501 42.1689 173.9244 750 D 4.7307 8.8049 120.4239 53.5733 45.7234 174.5121 751 S 4.8256 8.5841 113.9198 57.8704 63.8540 174.9032 752 I 3.7571 8.0796 119.8321 63.6771 37.3142 178.1685 753 I 3.1663 7.2095 120.5925 64.2861 37.0571 178.3263 754 V 3.5745 7.4199 118.5527 65.6376 31.2412 177.9447 755 F 4.1670 8.0060 120.4508 61.2149 39.1430 176.3544 756 Y 3.9316 8.2883 119.5169 60.9843 38.4695 177.8268 757 N 4.4335 8.4267 114.7486 54.9512 38.8736 176.5826 758 S 4.5501 7.5624 114.9502 58.7617 64.1842 174.1604 759 V 3.9792 7.3184 118.7351 63.6851 32.9644 176.5353 760 F 3.8127 6.8874 120.1692 61.6266 38.8358 176.3042 761 M 3.6053 7.6467 116.9479 59.0196 31.8476 178.4554 762 Q 3.8848 7.7967 115.7245 59.2502 28.9668 178.8706 763 R 3.9874 7.3986 118.2251 58.2315 30.4214 177.4345 764 L 4.4988 7.2777 115.8469 53.7207 42.3079 177.7552 765 K 3.7458 8.2364 122.3805 60.2491 31.8256 178.6338 766 T 3.9412 7.7424 107.8460 64.6759 68.3656 175.3759 767 N 4.3324 7.9030 119.5169 56.5710 39.1021 176.8293 768 I 4.0892 8.2797 121.7192 64.4484 37.1523 178.3207 769 L 4.0250 8.4210 120.3276 57.8131 41.2132 179.1565 770 Q 3.9741 7.4688 117.3818 58.4588 28.9282 176.9397 771 Y 4.6576 7.5567 115.3549 57.5031 39.1570 176.1740 772 A 4.2953 8.1111 125.1229 51.9252 17.8842 179.6986 773 S 3.3122 9.1206 119.6854 58.3383 62.8785 172.4559 774 T 3.3789 9.4205 102.4533 62.7086 67.7558 171.5274 775 R 3.6655 8.0503 116.5455 57.6275 25.5472 174.0790 776 P 4.4434 0.0000 0.0000 63.1309 32.7205 174.8337 777 P 4.2672 0.0000 0.0000 63.9166 31.5534 176.9725 778 T 4.6660 8.6332 118.4428 64.8062 70.4648 173.2052 779 L 4.3119 6.9885 119.8780 54.3200 43.0501 176.6556 780 S 4.7412 8.3779 118.2529 55.9676 64.4519 172.5632 781 P 4.3184 0.0000 0.0000 62.9142 31.2357 176.4025 782 I 3.3905 8.1439 123.9691 60.2005 37.6182 174.2148 783 P 4.1334 0.0000 0.0000 62.2667 31.6726 175.3921 784 H 3.9675 8.8357 121.1734 56.5676 29.6218 174.7514 785 I 3.7135 8.6646 128.4223 64.1427 37.1921 174.5435 786 P 3.7804 0.0000 0.0000 62.2981 29.7027 176.4888 *787 R 4.1304 8.4130 121.4751 56.3437 30.0112 172.1254 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 644 S 8.19 4.45 0.00 3.87 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 0.00 645 T 8.44 3.81 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 0.00 646 S 8.20 4.15 0.00 4.06 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 0.00 647 L 8.08 4.02 0.00 1.81 1.74 1.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 648 S 8.03 4.21 0.00 4.00 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 0.00 649 L 8.25 3.97 0.00 1.90 1.92 0.96 1.22 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 0.00 650 F 8.49 3.99 0.00 3.23 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 0.00 651 Y 8.33 3.61 0.00 2.98 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 652 K 8.36 4.17 0.00 2.08 1.91 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.60 7.81 653 K 7.86 3.93 0.00 1.64 1.69 0.00 1.62 0.00 0.00 1.52 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.41 7.81 654 V 7.26 3.35 1.49 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 0.78 0.00 0.00 -0.15 0.00 0.00 655 Y 7.88 4.73 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 0.00 656 R 7.90 3.94 0.00 1.94 2.08 0.00 3.09 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 657 L 8.16 3.96 0.00 1.83 1.79 0.91 1.01 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 0.00 658 A 8.56 4.18 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 0.00 659 Y 8.02 3.70 0.00 1.81 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 0.00 660 L 7.58 3.70 0.00 1.67 1.65 0.92 0.90 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 0.00 661 R 7.76 4.05 0.00 2.06 2.14 0.00 3.30 0.00 0.00 3.35 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.92 0.00 662 L 7.74 4.07 0.00 2.08 1.72 1.30 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 663 N 7.73 4.44 0.00 1.81 2.32 0.00 0.00 6.83 8.03 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 0.00 664 T 7.67 3.88 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 1.19 0.00 0.00 665 L 7.61 4.01 0.00 2.04 1.68 0.98 1.05 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 0.00 666 C 8.38 4.23 0.00 3.07 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 0.00 667 E 8.13 4.28 0.00 1.93 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 2.33 2.60 0.00 668 R 7.34 4.51 0.00 1.81 1.94 0.00 3.24 0.00 0.00 3.21 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 669 L 7.65 4.63 0.00 1.72 1.67 0.92 1.06 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 0.00 670 L 7.70 4.78 0.00 1.81 1.64 0.90 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 671 S 8.26 3.74 0.00 3.97 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 0.00 672 E 8.08 4.26 0.00 1.87 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 2.27 2.25 0.00 673 H 8.74 4.97 0.00 3.13 3.35 0.00 5.83 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 674 P 0.00 4.41 0.00 2.03 2.14 0.00 3.66 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 2.29 0.00 675 E 7.98 4.43 0.00 2.18 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 0.00 2.33 2.35 0.00 676 L 8.08 3.84 0.00 1.74 1.74 0.87 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 677 E 8.31 4.07 0.00 2.09 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 0.00 2.59 2.54 0.00 678 H 8.36 4.38 0.00 3.31 3.33 0.00 5.73 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 0.00 679 I 7.42 3.71 1.93 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 0.71 0.50 0.00 0.00 680 I 8.59 3.72 2.16 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 1.39 0.85 1.00 0.00 0.00 681 W 8.99 4.61 0.00 3.59 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 682 T 7.82 3.69 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 683 L 7.69 4.07 0.00 1.69 1.89 1.16 1.01 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 0.00 684 F 8.45 4.42 0.00 3.34 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 0.00 685 Q 7.74 3.50 0.00 1.18 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.52 0.00 0.00 0.00 0.00 0.00 1.49 1.25 0.00 686 H 8.53 4.08 0.00 3.28 3.58 0.00 5.84 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 0.00 687 T 8.28 3.89 4.71 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 1.45 0.00 0.00 688 L 7.91 4.28 0.00 2.11 2.14 0.97 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 689 Q 8.19 4.29 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 690 N 8.40 4.94 0.00 2.59 2.76 0.00 0.00 6.91 8.08 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 0.00 691 E 8.34 4.59 0.00 2.05 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 2.15 2.29 0.00 692 Y 8.06 4.33 0.00 3.35 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 693 E 7.53 4.34 0.00 1.81 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 1.97 2.16 0.00 694 L 7.98 4.22 0.00 1.89 1.87 1.01 1.31 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 0.00 695 M 8.63 4.52 0.00 2.13 2.39 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.87 0.00 696 R 7.22 4.08 0.00 1.94 2.00 0.00 3.65 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 697 D 9.00 4.57 0.00 2.90 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 0.00 698 R 8.31 4.75 0.00 1.80 1.93 0.00 2.53 0.00 0.00 2.94 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.66 0.00 699 H 8.95 4.87 0.00 3.10 3.17 0.00 5.62 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 700 L 8.79 4.08 0.00 1.76 1.83 1.06 1.63 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 0.00 701 D 8.60 4.59 0.00 2.72 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 0.00 702 Q 8.50 3.94 0.00 2.12 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 703 I 7.67 3.73 2.15 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.75 1.10 0.00 0.00 704 M 7.78 2.65 0.00 2.15 1.94 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.54 0.00 705 M 7.78 3.94 0.00 2.23 2.09 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.47 0.00 706 C 7.84 4.19 0.00 2.23 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 0.00 0.00 0.00 707 S 7.64 4.30 0.00 3.91 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 0.00 708 M 7.97 3.97 0.00 1.97 2.14 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 2.75 2.54 0.00 709 Y 7.94 3.64 0.00 1.91 2.27 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 0.00 710 G 8.13 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 0.00 711 I 7.68 3.82 1.92 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.73 0.79 0.00 0.00 712 C 7.71 4.03 0.00 2.79 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 0.00 713 K 7.55 3.66 0.00 1.28 1.65 0.00 1.26 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.19 7.81 714 V 7.35 3.83 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 0.95 0.00 0.00 1.10 0.00 0.00 715 K 7.34 4.39 0.00 1.66 1.78 0.00 1.92 0.00 0.00 1.73 0.00 0.00 3.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.57 1.58 7.81 716 N 7.82 4.23 0.00 2.83 2.89 0.00 0.00 7.03 7.45 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 0.00 717 I 7.59 4.17 1.80 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.66 0.67 0.00 0.00 718 D 8.21 4.47 0.00 2.57 2.56 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 0.00 0.00 0.00 0.00 719 L 7.50 4.52 0.00 1.46 1.36 0.87 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 720 K 8.16 4.41 0.00 1.89 1.77 0.00 1.76 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.59 1.64 7.81 721 F 8.92 3.90 0.00 2.76 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 0.00 722 K 8.07 3.90 0.00 1.82 1.81 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.51 7.81 723 I 7.92 3.81 1.85 0.00 0.00 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 1.52 0.64 0.90 0.00 0.00 724 I 7.63 3.62 2.00 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 1.43 0.89 0.88 0.00 0.00 725 V 7.98 3.44 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 -0.27 0.00 0.00 0.63 0.00 0.00 726 T 7.48 3.82 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 1.19 0.00 0.00 727 A 7.97 4.12 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 728 Y 8.67 4.10 0.00 3.09 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 0.00 729 K 8.53 3.78 0.00 1.72 1.93 0.00 1.99 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.62 1.64 7.81 730 D 7.86 4.42 0.00 2.88 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 0.00 731 L 7.42 4.02 0.00 1.30 1.24 1.01 1.10 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 0.00 732 P 0.00 4.34 0.00 2.16 2.15 0.00 3.60 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.94 0.00 733 H 7.50 4.76 0.00 3.23 3.43 0.00 5.73 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 734 A 7.39 3.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 735 V 8.07 4.42 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 0.99 0.00 0.00 0.92 0.00 0.00 736 Q 8.47 3.38 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.69 0.00 0.00 0.00 0.00 0.00 2.62 2.42 0.00 737 E 7.73 3.79 0.00 1.90 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 738 T 7.59 3.77 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 739 F 7.08 4.75 0.00 3.17 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 0.00 740 K 7.24 4.44 0.00 1.67 1.84 0.00 1.58 0.00 0.00 1.60 0.00 0.00 3.18 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.50 7.81 741 R 7.93 4.55 0.00 1.70 1.90 0.00 3.02 0.00 0.00 3.13 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.40 0.00 742 V 8.87 4.44 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 0.33 0.00 0.00 0.90 0.00 0.00 743 L 8.51 3.08 0.00 1.41 1.34 0.89 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 744 I 8.28 4.40 1.84 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.04 0.92 0.00 0.00 745 K 8.21 4.13 0.00 1.70 1.43 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.38 7.81 746 E 9.56 4.48 0.00 2.04 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 2.17 2.24 0.00 747 E 7.96 4.63 0.00 1.99 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 0.00 2.24 2.23 0.00 748 E 7.91 4.43 0.00 2.12 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 2.38 2.41 0.00 749 Y 8.47 5.19 0.00 2.79 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 0.00 750 D 8.80 4.73 0.00 2.72 2.53 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 0.00 751 S 8.58 4.83 0.00 4.00 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 0.00 752 I 8.08 3.76 1.78 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 1.28 0.85 0.32 0.00 0.00 753 I 7.21 3.17 1.71 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 -0.06 0.85 0.00 0.00 754 V 7.42 3.57 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.99 0.00 0.00 755 F 8.01 4.17 0.00 3.16 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 0.00 756 Y 8.29 3.93 0.00 3.24 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 0.00 757 N 8.43 4.43 0.00 2.77 2.89 0.00 0.00 7.04 8.29 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 0.00 758 S 7.56 4.55 0.00 3.79 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 0.00 759 V 7.32 3.98 1.39 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 0.95 0.00 0.00 0.91 0.00 0.00 760 F 6.89 3.81 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 0.00 761 M 7.65 3.61 0.00 1.86 1.52 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.51 0.00 762 Q 7.80 3.88 0.00 1.95 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.87 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 763 R 7.40 3.99 0.00 1.60 1.88 0.00 3.36 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 764 L 7.28 4.50 0.00 1.18 1.41 0.14 0.75 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 0.00 765 K 8.24 3.75 0.00 1.92 1.78 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.45 7.81 766 T 7.74 3.94 4.19 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 1.17 0.00 0.00 767 N 7.90 4.33 0.00 2.72 3.00 0.00 0.00 7.25 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 0.00 768 I 8.28 4.09 2.09 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.87 1.04 0.00 0.00 769 L 8.42 4.02 0.00 1.76 1.70 0.93 0.79 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 0.00 770 Q 7.47 3.97 0.00 1.88 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.90 0.00 0.00 0.00 0.00 0.00 1.92 2.20 0.00 771 Y 7.56 4.66 0.00 3.16 2.94 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 0.00 772 A 8.11 4.30 1.28 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 0.00 0.00 0.00 773 S 9.12 3.31 0.00 3.92 3.67 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 0.00 774 T 9.42 3.38 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 1.27 0.00 0.00 775 R 8.05 3.67 0.00 1.97 2.07 0.00 3.24 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.69 0.00 776 P 0.00 4.44 0.00 2.17 2.11 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.36 0.00 777 P 0.00 4.27 0.00 2.06 2.08 0.00 3.70 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 2.08 2.22 0.00 778 T 8.63 4.67 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 779 L 6.99 4.31 0.00 1.55 1.36 0.60 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 780 S 8.38 4.74 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 0.00 781 P 0.00 4.32 0.00 2.19 2.11 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 782 I 8.14 3.39 1.53 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.50 -0.31 0.00 0.00 783 P 0.00 4.13 0.00 1.72 1.90 0.00 2.20 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.83 0.00 784 H 8.84 3.97 0.00 3.03 3.29 0.00 5.93 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 785 I 8.66 3.71 1.79 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 1.37 0.49 0.89 0.00 0.00 786 P 0.00 3.78 0.00 1.98 1.92 0.00 3.26 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 1.52 1.94 0.00 *787 R 8.41 4.13 0.00 1.56 1.73 0.00 3.22 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.