NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7864 8.2133 109.7238 45.5215 0.0000 175.4599 *2 D 4.4934 7.8956 119.5308 54.1982 43.0501 177.6065 3 K 3.5389 7.9331 119.1372 59.0825 32.0720 178.1681 4 L 3.8918 7.2181 119.9590 58.6298 41.9866 178.9452 5 N 4.3707 8.0105 115.5542 55.9680 38.4280 177.0259 6 E 3.9276 8.2476 121.0196 59.5502 29.6832 178.5455 7 Y 4.3646 8.2978 117.2094 60.9990 37.8928 178.5209 8 R 3.6446 8.4034 119.4350 59.4460 30.1998 179.0237 9 T 3.8092 7.7330 115.3383 66.8839 68.5160 176.8857 10 K 3.9923 8.3245 120.4143 59.1864 32.0260 179.7696 11 V 3.4322 7.9643 119.0728 66.0390 31.4409 178.4196 12 R 3.5497 7.7023 117.7630 58.8837 29.7074 179.1432 13 Q 3.9781 8.1476 118.0366 58.8781 28.9072 178.3668 14 L 3.9673 7.7943 121.2832 58.2742 42.0183 179.1003 15 L 4.1215 7.9843 118.8354 58.1740 41.3881 179.5634 16 T 3.9609 8.0052 114.6727 66.3443 68.6661 176.0527 17 K 3.9844 8.4129 121.9446 60.1826 32.0546 178.1637 18 H 4.4402 7.9128 112.8120 57.2316 28.3106 177.0632 19 L 4.1949 7.7466 121.2002 56.7947 41.3073 178.3076 20 Q 4.1429 8.1298 119.2971 56.9778 29.0609 175.7061 *21 Y 4.7953 6.6468 118.2010 54.8052 40.8121 179.8695 22 K 4.6085 7.9935 117.3584 55.3044 35.5723 174.0082 23 P 4.1129 0.0000 0.0000 62.6957 31.4081 177.1947 24 S 4.2875 8.3221 115.6322 59.4484 63.7311 173.6152 25 Y 4.4852 7.3553 120.2739 57.0075 39.4213 176.7220 26 G 3.9844 8.9756 111.5163 44.9835 0.0000 172.8010 27 D 4.8664 8.7579 113.5864 51.8631 41.5604 174.5719 28 V 4.8721 7.9955 120.5752 60.5332 34.0951 173.9634 29 E 4.6888 9.1169 127.2778 54.7800 32.0967 174.8742 30 V 4.6855 8.2462 122.8616 61.3807 33.2144 174.5565 31 E 4.7835 9.2392 126.8536 54.5300 33.7704 174.3020 32 Q 4.6128 8.3594 122.1719 54.8086 30.8534 175.2241 33 I 4.4482 9.1377 126.5912 59.6256 40.0911 173.5234 34 F 5.4761 8.7370 125.3828 55.7433 41.0712 174.8846 35 D 4.6879 8.8465 125.0741 52.4254 41.7962 176.1819 36 E 4.1239 8.7259 127.7437 58.0604 30.3693 178.2747 37 E 3.8481 8.4221 118.8403 59.1710 29.4970 177.0330 38 H 4.5307 8.1524 111.7304 54.6796 29.9929 174.0981 39 D 4.1913 7.1994 118.3864 55.9662 38.9689 172.8598 40 H 5.9916 7.3993 114.9131 53.4862 31.6763 174.6221 41 Y 5.1636 8.8599 120.2025 56.3340 41.4388 174.2864 42 Q 4.8015 9.9004 125.8473 54.1003 33.1670 173.6521 43 I 5.0751 8.4063 117.6130 59.1736 40.7780 174.0023 44 I 4.8419 8.5515 124.4680 59.3422 41.9370 173.8933 45 S 4.9275 8.7773 125.2649 57.8291 64.4379 173.4829 46 V 4.6413 9.2298 124.4066 60.6466 34.3746 174.2928 47 G 4.2584 8.0609 116.9710 46.0904 0.0000 171.0332 48 W 5.3819 8.3093 121.2188 55.2003 33.5759 173.6922 49 N 5.1786 9.2975 120.9262 52.2863 40.1093 176.5871 50 N 4.1519 8.9256 127.3321 54.6266 38.9629 174.7373 51 Q 4.6351 6.4967 107.7624 55.9018 29.2185 174.6130 52 H 4.7007 8.4907 119.8999 55.5956 30.2654 174.1425 53 R 3.0890 8.5209 128.1966 56.0041 30.7199 175.2860 54 I 4.2745 7.8330 128.1579 59.9124 39.1159 174.4236 55 Y 4.8277 7.6542 127.5340 55.2670 41.7258 173.8142 56 G 4.3496 7.3564 121.6157 45.1091 0.0000 170.1547 57 P 4.6752 0.0000 0.0000 62.8898 32.0931 176.5418 58 I 4.3926 8.4603 122.7877 62.2993 38.8721 174.9652 *60 H 5.1122 8.0016 121.8252 55.9921 31.2818 171.7626 61 L 5.4358 9.2833 125.6992 53.1558 45.1591 175.3856 62 D 5.6346 9.4895 123.3764 52.6928 44.3208 175.2646 63 I 4.9786 8.4694 122.4896 59.7545 39.1259 175.6559 64 K 4.4406 9.1820 126.8826 55.8008 35.5437 176.5334 65 N 4.3830 9.8540 122.3555 54.7157 36.0214 173.8519 66 N 4.4760 8.4249 106.9926 54.1810 36.6415 174.6956 67 K 4.9767 8.1933 115.8653 54.8696 37.1857 175.6321 68 I 4.7222 8.7144 124.3883 60.1234 38.6791 174.9105 69 W 4.8488 9.6296 128.9278 55.3137 30.8484 176.0686 70 I 4.4421 8.4732 127.3887 60.9722 36.5871 176.5644 71 Q 4.3971 9.2428 127.9315 57.7324 29.6616 176.7064 72 Q 4.3529 7.9635 116.9937 55.0599 31.8427 173.2375 73 N 4.7549 8.1109 123.7461 53.2886 40.2746 173.1645 74 T 4.3369 9.1775 117.0071 61.4322 69.0374 174.3849 75 T 4.8787 7.4715 111.9101 60.2091 71.1895 173.3605 76 E 4.1690 8.5296 119.9981 56.8675 30.0324 176.2527 77 A 4.0565 7.6899 121.3967 52.6939 19.0662 177.5648 78 D 4.6865 8.3708 120.4154 53.0541 41.6502 177.3254 79 I 3.7182 8.0956 128.8875 63.9081 37.0912 177.6385 80 A 3.7369 7.8709 120.3710 55.5574 18.1755 179.2751 81 L 4.1375 7.6920 115.4567 57.9728 41.7558 179.4827 82 E 4.2117 8.1379 117.9498 58.8915 29.4702 179.0751 83 L 4.1585 8.1300 117.6705 54.8685 41.7534 177.2060 *85 E 4.1066 8.1968 117.5779 56.2362 30.5432 176.1474 *87 G 3.8749 8.0161 102.1890 45.0728 0.0000 172.6548 88 I 4.3886 7.2919 120.5826 59.1009 38.5843 175.5986 89 D 4.5477 8.5703 124.7434 53.6233 41.8806 177.1642 90 K 4.0863 8.7335 124.5954 59.8566 32.6224 178.0665 91 Q 4.4627 8.1873 116.3807 56.5526 29.0471 175.5113 92 D 4.9966 8.3623 118.3237 53.9200 42.5556 175.3506 93 I 4.7440 7.5143 119.1109 59.3677 40.3134 174.5833 94 V 4.2837 8.1881 127.1245 60.8793 34.2174 174.7429 95 I 3.8571 7.8914 128.8228 59.9703 36.5603 176.8031 96 G 3.7524 8.6458 117.8168 47.5842 0.0000 172.7658 97 F 4.8113 7.3037 112.8359 56.8049 38.3599 174.9277 98 H 4.9607 7.3844 118.6939 54.2784 30.1459 175.2216 99 T 4.1418 8.2448 112.9996 60.8795 69.3753 172.3653 100 P 4.3641 0.0000 0.0000 66.0914 31.8651 179.5677 101 K 4.0586 7.9046 115.1334 56.8366 31.4591 178.9095 *103 R 4.1667 8.0785 120.4823 56.3385 31.8441 177.7329 104 Q 4.1279 7.7750 117.5323 57.9963 29.1489 176.6226 105 L 4.5112 7.1704 114.2549 55.4131 43.2753 177.1911 106 S 4.4954 7.6704 110.1756 58.1544 62.9991 175.0524 107 G 3.6847 8.5351 108.9763 45.3494 0.0000 172.9025 108 F 4.8683 7.3941 116.8710 55.1915 42.3497 174.0151 109 A 4.1428 8.1397 124.3918 52.5349 18.6262 178.5309 110 V 3.6601 8.3638 122.3622 65.6169 32.0874 175.8187 111 E 4.2361 7.7610 121.2240 56.8674 28.7743 175.1473 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 0 G 8.21 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 D 7.90 4.49 0.00 2.69 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 3 K 7.93 3.54 0.00 1.64 1.55 0.00 1.59 0.00 0.00 1.61 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.59 0.75 7.81 4 L 7.22 3.89 0.00 2.07 1.63 1.04 0.67 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 5 N 8.01 4.37 0.00 2.78 2.83 0.00 0.00 6.67 7.66 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 6 E 8.25 3.93 0.00 2.07 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 2.44 2.39 0.00 7 Y 8.30 4.36 0.00 3.18 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.40 3.64 0.00 1.96 1.90 0.00 3.17 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 1.82 1.86 0.00 9 T 7.73 3.81 4.40 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 1.20 0.00 0.00 10 K 8.32 3.99 0.00 1.86 1.83 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.60 7.81 11 V 7.96 3.43 1.71 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 0.65 0.00 0.00 0.84 0.00 0.00 12 R 7.70 3.55 0.00 1.93 1.92 0.00 3.02 0.00 0.00 3.04 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.98 0.00 13 Q 8.15 3.98 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 14 L 7.79 3.97 0.00 1.80 1.80 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.98 4.12 0.00 1.95 2.00 1.01 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 16 T 8.01 3.96 4.52 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 0.00 0.00 0.00 1.25 0.00 0.00 17 K 8.41 3.98 0.00 1.92 2.09 0.00 1.55 0.00 0.00 1.27 0.00 0.00 2.91 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.34 1.45 7.81 18 H 7.91 4.44 0.00 3.35 3.35 0.00 5.71 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.75 4.19 0.00 1.93 1.70 0.85 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 8.13 4.14 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.70 0.00 0.00 0.00 0.00 0.00 2.73 2.50 0.00 *21 Y 6.65 4.80 0.00 2.47 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 0.00 0.00 0.00 22 K 7.99 4.61 0.00 1.71 1.71 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.25 1.37 7.81 23 P 0.00 4.11 0.00 1.19 0.91 0.00 3.47 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 1.69 1.84 0.00 24 S 8.32 4.29 0.00 3.97 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 25 Y 7.36 4.49 0.00 3.07 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.98 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 27 D 8.76 4.87 0.00 2.76 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.00 4.87 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 0.81 0.00 0.00 0.99 0.00 0.00 29 E 9.12 4.69 0.00 1.90 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 30 V 8.25 4.69 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 0.77 0.00 0.00 0.87 0.00 0.00 31 E 9.24 4.78 0.00 1.80 1.72 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 2.17 2.33 0.00 32 Q 8.36 4.61 0.00 1.58 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.99 0.00 0.00 0.00 0.00 0.00 1.68 1.16 0.00 33 I 9.14 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 1.21 0.53 0.92 0.00 0.00 34 F 8.74 5.48 0.00 2.92 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 35 D 8.85 4.69 0.00 2.59 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 36 E 8.73 4.12 0.00 2.17 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 2.42 2.39 0.00 37 E 8.42 3.85 0.00 1.89 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 0.00 1.92 2.21 0.00 38 H 8.15 4.53 0.00 2.91 2.92 0.00 6.05 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 7.20 4.19 0.00 2.87 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 40 H 7.40 5.99 0.00 2.93 3.09 0.00 5.57 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 8.86 5.16 0.00 2.94 2.43 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 42 Q 9.90 4.80 0.00 1.92 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 43 I 8.41 5.08 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.71 1.08 0.00 0.00 44 I 8.55 4.84 1.95 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.28 0.88 0.00 0.00 45 S 8.78 4.93 0.00 3.81 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 46 V 9.23 4.64 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 1.12 0.00 0.00 0.93 0.00 0.00 47 G 8.06 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 48 W 8.31 5.38 0.00 3.50 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 N 9.30 5.18 0.00 2.90 2.80 0.00 0.00 6.94 6.50 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 50 N 8.93 4.15 0.00 2.90 2.21 0.00 0.00 7.11 7.08 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 51 Q 6.50 4.64 0.00 2.27 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.56 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 52 H 8.49 4.70 0.00 3.29 3.49 0.00 5.78 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.52 3.09 0.00 1.28 1.58 0.00 2.58 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.40 0.00 54 I 7.83 4.27 1.69 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 1.09 0.87 0.92 0.00 0.00 55 Y 7.65 4.83 0.00 2.81 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 56 G 7.36 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 0.00 0.00 0.00 0.00 57 P 0.00 4.68 0.00 2.02 1.98 0.00 3.58 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 58 I 8.46 4.39 1.84 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 1.04 1.60 0.88 0.00 0.00 *60 H 8.00 5.11 0.00 3.27 3.23 0.00 5.63 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 9.28 5.44 0.00 1.66 1.57 0.88 0.79 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 62 D 9.49 5.63 0.00 2.61 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.47 4.98 2.04 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 1.36 0.83 1.16 0.00 0.00 64 K 9.18 4.44 0.00 1.53 1.49 0.00 1.20 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.35 0.00 0.00 0.00 0.00 1.10 1.16 7.81 65 N 9.85 4.38 0.00 2.97 2.93 0.00 0.00 7.17 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 N 8.42 4.48 0.00 2.96 2.99 0.00 0.00 6.96 7.61 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 67 K 8.19 4.98 0.00 2.02 1.63 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.42 1.66 7.81 68 I 8.71 4.72 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 1.08 0.37 0.83 0.00 0.00 69 W 9.63 4.85 0.00 3.17 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 I 8.47 4.44 1.72 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 1.15 0.57 1.06 0.00 0.00 71 Q 9.24 4.40 0.00 1.74 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.52 0.00 0.00 0.00 0.00 0.00 2.53 2.31 0.00 72 Q 7.96 4.35 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.83 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 73 N 8.11 4.75 0.00 2.67 2.59 0.00 0.00 7.03 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 T 9.18 4.34 4.20 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 0.00 0.00 0.00 1.19 0.00 0.00 75 T 7.47 4.88 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 1.22 0.00 0.00 76 E 8.53 4.17 0.00 2.22 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 2.26 1.87 0.00 77 A 7.69 4.06 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 78 D 8.37 4.69 0.00 2.74 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 79 I 8.10 3.72 1.83 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 0.31 0.86 0.00 0.00 80 A 7.87 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 7.69 4.14 0.00 1.66 1.79 1.01 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.14 4.21 0.00 2.16 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 2.46 0.00 83 L 8.13 4.16 0.00 1.70 1.55 0.78 0.66 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 *85 E 8.20 4.11 0.00 2.27 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 2.19 1.89 0.00 *87 G 8.02 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 7.29 4.39 1.91 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 1.15 0.65 0.60 0.00 0.00 89 D 8.57 4.55 0.00 2.81 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 90 K 8.73 4.09 0.00 1.96 2.06 0.00 1.56 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.12 7.81 91 Q 8.19 4.46 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.31 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 92 D 8.36 5.00 0.00 2.74 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 93 I 7.51 4.74 2.02 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 0.91 0.57 0.29 0.00 0.00 94 V 8.19 4.28 0.67 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 -0.32 0.00 0.00 0.12 0.00 0.00 95 I 7.89 3.86 1.37 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.81 -0.44 0.00 0.00 96 G 8.65 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 97 F 7.30 4.81 0.00 3.13 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 98 H 7.38 4.96 0.00 3.18 3.17 0.00 5.68 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 T 8.24 4.14 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 1.24 0.00 0.00 100 P 0.00 4.36 0.00 2.22 2.19 0.00 3.63 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.20 0.00 101 K 7.90 4.06 0.00 1.82 1.81 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.47 7.81 *103 R 8.08 4.17 0.00 2.07 1.95 0.00 3.11 0.00 0.00 3.11 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.75 0.00 104 Q 7.78 4.13 0.00 1.98 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 105 L 7.17 4.51 0.00 1.70 1.66 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 106 S 7.67 4.50 0.00 4.15 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.54 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 0.00 0.00 0.00 108 F 7.39 4.87 0.00 2.84 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 A 8.14 4.14 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 110 V 8.36 3.66 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 0.84 0.00 0.00 0.90 0.00 0.00 111 E 7.76 4.24 0.00 2.30 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.