NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 T 4.2240 8.1744 110.9427 61.3643 70.1207 172.6959 8 D 4.4681 8.2494 121.6840 50.6593 41.2998 174.7000 9 P 4.3216 0.0000 0.0000 65.5047 32.4589 177.0792 10 R 4.2021 8.1315 116.0188 56.8144 30.5443 176.7637 11 A 4.2044 7.3845 120.9981 51.2346 18.9678 177.2300 12 K 4.0096 8.4799 121.0595 56.1920 32.7519 176.5556 13 W 4.2297 8.8397 135.0000 57.3284 31.1208 175.5302 14 V 4.0464 7.6040 125.6300 59.9827 31.6014 173.1059 15 P 3.8813 0.0000 0.0000 62.1576 32.1413 175.6966 16 Q 4.6707 8.6032 117.2090 54.6987 31.8437 174.1775 17 D 5.5894 8.5426 115.9202 54.3225 41.5700 175.4114 18 N 4.9855 9.4564 112.6243 51.9833 38.6907 174.0328 19 D 4.2453 7.9518 118.6391 53.8540 42.4543 175.3736 20 I 3.0356 7.9607 120.4717 62.0166 37.9263 176.4973 21 Q 4.2934 8.4982 119.5838 55.9448 29.2918 175.1629 22 A 4.7667 7.4556 121.6878 50.4642 20.5621 177.7971 23 C 4.6477 8.9454 118.9686 59.2481 41.8451 174.3012 24 D 4.9668 8.1271 118.7005 52.9367 39.5359 175.2897 25 Y 4.7548 8.2545 122.8108 57.4537 39.1877 176.6606 26 W 4.6259 8.8405 125.0787 59.9619 28.0358 178.1678 27 R 3.4819 5.8400 114.9994 57.5893 29.9102 176.3516 28 H 5.1612 8.3447 116.0055 55.7524 28.8825 174.6057 29 C 2.6141 7.8241 116.0986 57.6529 41.3118 174.3456 30 S 4.7730 7.8230 115.5877 56.8031 62.1306 173.6996 31 I 3.3544 7.3975 117.9339 59.9184 39.8536 174.1675 32 D 4.7723 8.7793 126.3389 53.8018 44.3273 171.9417 33 G 4.2258 7.7766 117.6352 44.2854 0.0000 175.4726 34 N 5.4337 9.6543 122.7576 50.8701 42.2858 173.3830 35 I 4.2709 8.2232 122.7337 60.9520 37.5707 176.7990 36 C 3.9121 8.5824 124.3625 62.9688 28.2326 175.8442 37 D 4.3717 8.1699 118.1043 56.8475 40.7726 177.7496 38 C 4.8125 8.1811 114.8102 57.3183 40.4108 173.8317 39 S 4.6240 8.5045 114.0858 58.3606 63.2135 174.9780 40 G 4.0674 8.7386 108.2922 46.0113 0.0000 175.3837 41 G 4.0752 7.5818 111.0912 44.9038 0.0000 171.3587 42 S 4.9535 8.1755 115.3802 56.2332 66.3665 173.2864 43 L 4.0436 8.6968 120.8742 58.1339 41.5899 178.4545 44 T 4.7916 7.8089 104.0193 60.9219 69.6751 172.8087 45 N 5.0843 7.7928 118.8538 51.7644 42.0842 173.6662 46 C 4.6347 8.2818 117.8177 58.4760 29.5469 172.2773 47 P 4.5130 0.0000 0.0000 61.3949 31.7181 174.4125 48 P 4.3053 0.0000 0.0000 64.2971 31.6281 177.1219 49 G 3.9614 8.8895 110.8381 45.2879 0.0000 173.4575 50 T 4.2328 6.7500 108.7491 60.5911 70.8536 174.1850 51 K 4.5593 8.8794 121.3739 54.4467 35.1458 175.4577 52 L 4.5766 8.4594 126.8241 53.9395 42.9029 176.0678 53 A 4.6448 8.6825 129.0222 52.6032 18.9824 176.8221 54 T 4.3627 8.7468 109.2373 63.2740 70.9054 175.5275 55 A 4.7674 8.0126 123.5198 51.0212 20.8310 178.0278 56 S 3.9254 7.0599 117.9005 58.7253 65.9712 179.1605 *58 V 4.5119 8.7288 113.8575 61.6196 32.6522 172.9307 59 A 4.6269 8.0256 118.8308 51.4807 22.2797 175.4800 60 S 4.9639 8.8986 116.5390 57.8787 63.3032 173.8425 61 C 5.2900 9.6400 125.6097 55.3472 38.5105 172.5724 62 Y 4.6832 9.0183 124.9819 57.3039 40.1664 173.3753 63 N 3.7619 8.2353 126.7831 50.7553 39.2734 173.8058 64 P 4.0899 0.0000 0.0000 65.2487 31.8396 178.1383 65 T 3.8864 7.9193 116.5404 66.1627 68.3080 175.1327 66 D 4.6227 7.5438 116.3022 52.1831 39.9340 176.4951 67 G 3.9097 7.7188 106.9183 46.2721 0.0000 173.6011 68 Q 4.5463 8.1707 118.8779 54.2724 31.6434 174.5700 69 S 5.3236 8.1587 116.7539 57.1745 65.7072 172.8257 70 Y 5.1375 9.3143 121.7061 55.9828 41.8300 174.5104 71 L 4.8055 9.2184 125.4972 54.7392 43.6984 175.3188 72 I 4.5351 8.8388 127.9218 59.7381 39.2596 174.8322 73 A 4.1472 8.1333 129.5072 50.4150 19.1680 176.8298 74 Y 4.7648 7.8773 120.7569 58.0096 35.8299 175.7692 75 R 4.4079 7.9977 121.4185 55.9206 32.4800 175.4054 76 D 5.5213 8.5996 121.3297 53.1512 44.2907 175.0189 77 C 5.0827 8.7534 119.2493 58.6494 30.3675 172.5257 78 C 5.8451 9.0934 121.0551 54.2765 44.4183 174.9562 79 G 4.0861 9.3081 106.1614 45.8676 0.0000 172.8913 80 Y 4.7667 7.3447 114.7525 55.6041 41.9341 174.6613 81 N 4.5429 8.4934 120.2813 52.8619 39.8247 174.8564 82 V 3.6932 8.4573 121.8997 63.4286 31.9228 176.2433 83 S 4.1556 8.3069 122.0182 60.0472 62.7638 175.9027 84 G 3.9654 7.7554 107.3595 45.0488 0.0000 172.9660 85 R 4.5137 7.6833 118.2719 55.5990 33.0576 175.4493 86 C 4.2680 8.6942 117.8112 57.4958 37.4824 171.2033 87 P 5.0437 0.0000 0.0000 63.0332 32.6412 177.0820 88 C 5.0060 9.0429 117.1881 55.8914 45.3743 173.4281 89 L 4.8239 8.3624 123.8918 54.4354 43.5967 174.3296 90 N 5.1438 9.2000 124.2839 50.9397 43.0651 174.5829 91 T 4.8309 7.6125 109.1872 61.0258 69.1357 173.9561 92 E 3.9796 8.1878 122.7217 58.7658 29.3742 177.8983 93 G 3.7520 8.7971 111.9070 45.3087 0.0000 172.2309 94 E 4.2793 7.9085 121.5710 56.2302 29.5652 176.1965 95 L 4.7994 8.5029 126.2054 52.0264 45.4144 174.1864 96 P 4.3895 0.0000 0.0000 62.3737 32.1070 177.9637 97 V 3.6675 8.5097 120.3530 64.9307 31.1632 176.8238 98 Y 4.4453 7.9004 115.8460 57.9829 38.6889 175.5750 99 R 4.7152 7.6744 119.3768 53.9893 30.9057 174.2348 100 P 4.3894 0.0000 0.0000 66.0288 31.6309 178.7372 101 E 3.6354 8.1810 115.3742 58.2829 29.4149 177.4417 102 F 5.0940 8.4232 116.0043 56.8536 40.0894 173.8737 103 A 5.1581 8.5695 124.6635 50.5515 19.4618 177.4661 104 N 5.0890 9.2311 119.8166 52.8404 37.5456 175.4378 105 D 4.7531 7.8417 117.5192 54.7823 41.6307 176.8855 106 I 3.5234 7.2097 120.3436 60.6515 37.5472 176.0331 107 I 3.7902 7.5886 125.6645 60.5067 36.3244 176.6453 108 W 4.7205 8.6104 130.1097 55.8334 27.5196 176.6981 109 C 4.9002 7.2524 114.8854 56.1444 39.1112 174.4295 110 F 4.5666 7.4317 119.8627 59.3347 38.8898 176.2876 111 G 4.3408 9.4097 112.1641 46.3759 0.0000 173.6508 112 A 4.7575 7.6200 122.1454 51.1417 19.3059 177.1462 113 E 3.9704 8.5731 119.7736 57.7955 30.0993 177.3610 114 D 4.4741 9.2261 119.3456 54.7349 38.4729 173.4620 115 D 4.4135 7.9330 115.9880 54.9416 38.9466 173.9236 116 A 4.1152 7.7680 121.3701 52.9576 18.6067 178.3487 117 M 4.6623 8.5007 120.3109 54.7213 34.2247 175.7238 118 T 4.3323 7.6156 110.3634 61.2940 70.8321 173.0241 119 Y 4.4924 8.5679 125.6614 57.7939 39.5083 172.9738 120 H 4.7073 7.9366 124.8866 56.9811 32.2648 173.3104 121 C 4.7416 6.6311 109.8756 57.8508 32.8530 171.7627 122 T 5.2807 9.1438 115.8605 61.8020 71.1006 173.9975 123 I 4.6039 8.5554 118.6259 59.1125 40.5174 175.0673 124 S 4.9782 8.2622 117.1745 56.6693 61.8040 172.4455 125 P 4.5200 0.0000 0.0000 62.3838 33.6467 176.9649 126 I 4.6476 8.0902 122.0884 60.8343 37.9806 176.0487 127 V 4.3229 9.7160 118.6447 60.2473 33.1370 175.6046 128 G 4.2179 7.5754 109.1158 45.9065 0.0000 171.7832 129 K 4.5839 8.2900 119.1401 55.8227 33.2947 176.9249 130 A 4.9323 8.4463 125.7319 50.6746 21.8470 176.8844 131 S 4.3496 8.5767 111.7306 59.0979 63.0695 174.3716 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 7 T 8.17 4.22 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 8 D 8.25 4.47 0.00 2.83 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 9 P 0.00 4.32 0.00 2.24 2.20 0.00 3.83 0.00 0.00 3.81 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 10 R 8.13 4.20 0.00 1.98 2.04 0.00 3.18 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 11 A 7.38 4.20 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 12 K 8.48 4.01 0.00 1.77 1.78 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.52 1.51 7.81 13 W 8.84 4.23 0.00 3.35 3.25 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 0.00 0.00 0.00 0.00 14 V 7.60 4.05 1.91 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 0.82 0.00 0.00 0.95 0.00 0.00 15 P 0.00 3.88 0.00 2.21 1.63 0.00 3.65 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 2.01 2.17 0.00 16 Q 8.60 4.67 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.99 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 17 D 8.54 5.59 0.00 2.60 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 18 N 9.46 4.99 0.00 2.77 2.88 0.00 0.00 6.53 7.97 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 19 D 7.95 4.25 0.00 2.67 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 20 I 7.96 3.04 1.31 0.00 0.00 0.73 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 0.54 -0.06 0.00 0.00 21 Q 8.50 4.29 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 22 A 7.46 4.77 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 C 8.95 4.65 0.00 3.13 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.13 4.97 0.00 2.67 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 25 Y 8.25 4.75 0.00 3.37 2.90 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 26 W 8.84 4.63 0.00 3.72 3.25 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 0.00 0.00 0.00 0.00 27 R 5.84 3.48 0.00 1.42 1.29 0.00 2.21 0.00 0.00 2.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.97 0.00 28 H 8.34 5.16 0.00 3.55 3.37 0.00 5.63 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 C 7.82 2.61 0.00 2.31 3.43 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 30 S 7.82 4.77 0.00 3.77 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 31 I 7.40 3.35 1.79 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 1.05 1.44 0.86 0.00 0.00 32 D 8.78 4.77 0.00 2.79 2.38 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 33 G 7.78 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 0.00 0.00 0.00 0.00 34 N 9.65 5.43 0.00 2.67 2.86 0.00 0.00 7.39 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 35 I 8.22 4.27 1.86 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 1.12 0.54 0.96 0.00 0.00 36 C 8.58 3.91 0.00 2.95 2.97 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 37 D 8.17 4.37 0.00 2.71 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 38 C 8.18 4.81 0.00 3.12 3.09 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 39 S 8.50 4.62 0.00 3.96 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 40 G 8.74 4.07 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 0.00 0.00 0.00 41 G 7.58 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.18 4.95 0.00 3.90 3.81 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 0.00 0.00 0.00 43 L 8.70 4.04 0.00 1.63 1.69 0.93 0.68 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 44 T 7.81 4.79 4.21 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 1.17 0.00 0.00 45 N 7.79 5.08 0.00 2.69 2.67 0.00 0.00 7.02 9.01 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 46 C 8.28 4.63 0.00 2.90 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 47 P 0.00 4.51 0.00 1.98 2.10 0.00 3.48 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 48 P 0.00 4.31 0.00 2.00 1.96 0.00 3.63 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 49 G 8.89 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 50 T 6.75 4.23 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 0.32 0.00 0.00 51 K 8.88 4.56 0.00 1.61 1.95 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.49 1.66 7.81 52 L 8.46 4.58 0.00 1.73 1.54 0.92 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.68 4.64 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.75 4.36 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 1.30 0.00 0.00 55 A 8.01 4.77 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.06 3.93 0.00 3.99 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 *58 V 8.73 4.51 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.97 0.00 0.00 59 A 8.03 4.63 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.90 4.96 0.00 3.95 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 C 9.64 5.29 0.00 3.27 3.56 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 62 Y 9.02 4.68 0.00 3.16 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 63 N 8.24 3.76 0.00 1.44 2.23 0.00 0.00 6.56 7.28 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 64 P 0.00 4.09 0.00 2.13 2.16 0.00 3.18 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.04 0.00 65 T 7.92 3.89 4.12 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 1.13 0.00 0.00 66 D 7.54 4.62 0.00 2.68 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 67 G 7.72 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 0.00 0.00 0.00 68 Q 8.17 4.55 0.00 1.89 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.51 6.72 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 69 S 8.16 5.32 0.00 3.75 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 9.31 5.14 0.00 3.26 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 9.22 4.81 0.00 1.78 1.59 1.06 0.99 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 72 I 8.84 4.54 1.34 0.00 0.00 0.60 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 1.18 0.15 0.00 0.00 73 A 8.13 4.15 1.12 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 0.00 0.00 74 Y 7.88 4.76 0.00 2.93 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 75 R 8.00 4.41 0.00 1.79 1.88 0.00 3.31 0.00 0.00 3.52 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 76 D 8.60 5.52 0.00 2.88 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 C 8.75 5.08 0.00 2.74 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.09 5.85 0.00 2.77 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 79 G 9.31 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 0.00 0.00 0.00 80 Y 7.34 4.77 0.00 2.58 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 81 N 8.49 4.54 0.00 2.64 2.72 0.00 0.00 6.92 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 V 8.46 3.69 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 1.07 0.00 0.00 1.02 0.00 0.00 83 S 8.31 4.16 0.00 3.98 3.61 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 84 G 7.76 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 85 R 7.68 4.51 0.00 1.80 1.83 0.00 3.33 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 86 C 8.69 4.27 0.00 3.11 3.09 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 87 P 0.00 5.04 0.00 2.19 2.07 0.00 3.77 0.00 0.00 3.67 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 88 C 9.04 5.01 0.00 2.83 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 89 L 8.36 4.82 0.00 1.53 1.50 0.93 0.86 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 90 N 9.20 5.14 0.00 2.36 2.11 0.00 0.00 6.17 7.37 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 91 T 7.61 4.83 4.17 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 1.19 0.00 0.00 92 E 8.19 3.98 0.00 1.87 1.91 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 1.90 2.12 0.00 93 G 8.80 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 94 E 7.91 4.28 0.00 1.94 1.87 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 2.56 2.61 0.00 95 L 8.50 4.80 0.00 1.78 1.43 0.83 0.90 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 96 P 0.00 4.39 0.00 1.56 2.06 0.00 3.28 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.09 0.00 97 V 8.51 3.67 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 0.83 0.00 0.00 0.95 0.00 0.00 98 Y 7.90 4.45 0.00 3.11 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 99 R 7.67 4.72 0.00 1.78 1.91 0.00 3.40 0.00 0.00 3.34 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.53 0.00 100 P 0.00 4.39 0.00 2.47 2.50 0.00 3.82 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.07 0.00 101 E 8.18 3.64 0.00 1.50 1.85 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 1.47 1.47 0.00 102 F 8.42 5.09 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 0.00 103 A 8.57 5.16 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 0.00 0.00 104 N 9.23 5.09 0.00 2.78 2.90 0.00 0.00 7.01 8.13 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 0.00 105 D 7.84 4.75 0.00 2.62 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 7.21 3.52 0.90 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 1.16 0.30 -0.42 0.00 0.00 107 I 7.59 3.79 1.61 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.63 0.93 0.00 0.00 108 W 8.61 4.72 0.00 3.65 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 0.00 109 C 7.25 4.90 0.00 2.72 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 0.00 110 F 7.43 4.57 0.00 3.30 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 0.00 111 G 9.41 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 A 7.62 4.76 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 0.00 113 E 8.57 3.97 0.00 2.09 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 2.40 2.41 0.00 114 D 9.23 4.47 0.00 2.84 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 0.00 115 D 7.93 4.41 0.00 2.82 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 0.00 116 A 7.77 4.12 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 0.00 117 M 8.50 4.66 0.00 1.89 2.02 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.59 0.00 118 T 7.62 4.33 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 1.22 0.00 0.00 119 Y 8.57 4.49 0.00 2.98 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 0.00 120 H 7.94 4.71 0.00 3.22 3.24 0.00 5.87 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 0.00 121 C 6.63 4.74 0.00 3.12 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 T 9.14 5.28 4.39 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 1.54 0.00 0.00 123 I 8.56 4.60 1.98 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 1.44 0.91 0.93 0.00 0.00 124 S 8.26 4.98 0.00 3.76 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 0.00 125 P 0.00 4.52 0.00 2.05 2.11 0.00 3.80 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.94 0.00 126 I 8.09 4.65 1.85 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 1.30 0.42 1.08 0.00 0.00 127 V 9.72 4.32 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 0.61 0.00 0.00 0.99 0.00 0.00 128 G 7.58 4.22 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 0.00 129 K 8.29 4.58 0.00 1.61 1.62 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.85 1.34 7.81 130 A 8.45 4.93 1.24 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 0.00 0.00 0.00 131 S 8.58 4.35 0.00 3.87 3.77 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 * Residues marked with a * may have inaccurate shift predictions.