NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9302 8.2133 108.0328 46.2930 0.0000 172.4970 2 I 4.6168 8.0891 120.9050 57.6665 37.6389 172.6665 3 E 4.1831 9.5841 127.8980 56.0819 31.6723 175.6181 4 I 4.4943 8.1279 122.7735 60.0776 38.7572 175.3693 5 V 4.0280 8.4616 128.8718 60.9702 32.8298 174.2472 6 N 5.0582 8.5131 126.3998 52.9006 39.2501 174.9888 7 R 4.6925 8.9159 124.0573 54.6286 33.9168 173.9393 8 K 5.0125 8.8223 125.1026 56.0625 33.3668 175.6861 9 A 4.5658 8.3938 123.8502 51.1778 22.5307 176.8997 10 V 3.7190 8.6782 119.1633 65.9529 32.5861 175.8746 11 W 5.2144 8.2409 121.0549 56.0242 29.6173 175.2178 12 Y 5.1960 8.8500 122.8065 55.0674 41.5002 173.9101 13 L 5.4485 8.6426 122.7378 53.7998 44.0850 176.2666 14 T 4.5198 8.9957 115.8464 62.3787 69.6420 175.3683 15 S 4.3492 8.1441 120.1709 58.8902 64.3542 172.8641 16 E 4.3796 9.5264 126.6450 56.0121 30.5212 175.1265 17 I 5.0738 8.4310 128.0884 59.3765 39.4192 175.1465 18 K 4.6446 8.8464 125.4508 54.9873 36.4721 174.8888 19 E 4.5633 8.7012 123.1847 55.9969 29.8208 175.7883 20 T 4.5454 8.6310 116.9976 59.2885 71.5292 174.5903 21 E 4.0413 8.6958 121.4675 58.7410 29.8264 177.3552 22 T 4.4303 7.0956 105.1091 62.6111 71.4856 173.8801 23 G 3.8870 6.9229 112.2857 46.4163 0.0000 175.3521 24 I 4.7500 8.1989 127.3685 58.8826 40.4500 173.0899 25 E 4.7225 8.9240 126.0961 54.4213 32.4115 174.9462 26 V 4.7385 8.8001 125.5890 60.8869 33.6420 175.5506 27 S 4.8611 9.0282 123.3429 57.5586 64.2887 173.7813 28 A 4.3583 8.5557 122.6403 52.6547 18.7855 177.7464 29 G 4.1885 8.7216 107.6912 46.6812 0.0000 171.3170 30 E 5.2572 8.9771 119.6662 54.5185 33.9040 174.7100 31 L 4.9883 9.0734 126.6631 54.2642 43.9424 174.7388 32 H 5.0510 9.1153 123.6791 53.7553 31.8859 173.3802 33 K 3.6711 8.7177 124.7109 53.8259 32.7618 176.4926 34 G 3.7713 8.8640 121.4475 47.1490 0.0000 173.8488 35 D 4.5642 8.6532 121.0392 56.0211 41.5540 177.4323 36 E 3.9994 8.2334 119.3562 58.4046 30.0647 176.0603 37 E 4.5140 7.7631 116.3005 54.1486 32.9008 174.2137 38 V 4.5265 7.6791 121.0205 61.0072 34.5188 174.4984 39 F 5.0677 8.9868 125.5784 54.8188 42.9285 172.5152 40 P 4.7529 0.0000 0.0000 62.7593 32.3932 175.6403 41 V 4.4291 8.7716 122.8511 60.9895 34.0571 174.9350 42 E 4.7426 9.0246 127.3762 55.9866 30.3427 176.5251 43 E 4.6056 8.7739 119.9392 56.9069 30.8919 176.3079 44 V 4.6348 8.5510 119.3841 60.8843 34.9290 173.0342 45 S 5.1081 8.4222 116.0740 57.4817 65.9006 173.0260 46 F 4.9813 8.1895 115.2941 55.7487 41.3048 173.1188 47 D 4.7001 8.7322 120.5553 53.8294 41.5122 177.4025 48 L 3.7033 7.8687 124.4821 53.5375 40.2009 176.4631 49 T 4.1640 7.8555 116.6698 62.5096 69.4525 173.7502 50 P 4.6828 0.0000 0.0000 62.1146 33.0786 174.6727 51 D 5.0827 8.2270 117.9706 52.5164 43.1761 177.0799 52 D 4.4326 8.7536 123.6925 57.0898 41.2617 177.4608 53 T 4.1163 8.0921 113.2825 64.8633 69.7474 174.2139 54 Y 4.9037 7.7674 116.7044 55.6236 40.4742 173.8078 55 P 4.6849 0.0000 0.0000 62.3145 33.3923 175.2991 56 V 4.4375 8.6084 122.6233 61.0219 33.9854 173.8554 57 E 4.7103 9.0106 129.6903 55.4187 31.1234 174.8115 58 Y 5.2994 9.0754 124.1916 55.1570 42.1006 174.1524 *60 L 4.2244 8.1271 120.6948 55.4475 43.5635 174.6439 61 Y 5.1521 9.3053 124.6548 56.2678 40.7119 174.4859 62 L 4.5757 8.6384 125.7993 53.7305 44.2700 173.5192 63 H 5.0094 7.8302 126.0814 53.0483 32.3012 171.7244 *65 N 4.6450 8.6593 115.8532 53.6006 39.4202 176.0424 66 V 3.5490 8.5026 126.0783 66.1671 31.9913 177.2444 67 Q 4.1424 8.3055 117.7396 58.8006 28.7481 177.0968 68 T 4.1692 8.3219 105.7200 61.2403 69.5412 175.8498 69 K 3.8649 8.2501 119.9584 56.3436 30.4515 175.6454 70 K 4.0216 7.7699 121.0782 56.0697 32.4233 176.0767 71 V 4.1623 8.1703 126.1770 61.4471 32.8235 174.6648 72 S 4.6988 8.6232 122.3577 56.5104 67.3737 172.7350 73 W 5.4910 8.6081 120.5659 55.6383 30.8807 176.1404 74 S 4.9885 9.5428 118.6593 56.7827 67.0433 172.6637 75 L 4.7749 8.6524 124.5356 53.3823 44.3226 175.7260 76 C 4.8172 8.5865 126.1441 54.9200 45.8675 171.8654 77 K 4.4822 8.5093 126.2953 54.4524 34.2047 174.7161 78 A 4.6557 8.4510 129.3432 50.1847 22.4098 174.1239 79 Y 4.5019 8.4546 119.2291 56.6699 39.4454 175.7570 80 L 4.6377 8.8097 128.1342 53.4094 39.4640 176.5697 81 D 4.5101 7.9273 116.5061 52.6075 40.2133 178.2509 82 G 4.1074 8.4451 108.4694 45.4995 0.0000 174.3379 83 E 4.5835 8.0979 116.4497 56.6087 32.1489 176.7638 84 G 3.8020 8.6429 107.3616 44.7830 0.0000 172.3546 85 Y 4.7222 7.6981 118.9787 56.2207 40.3466 174.0995 86 C 4.7703 8.5688 118.6034 55.3499 41.9547 173.4385 87 D 4.6775 8.2405 122.4024 52.8618 43.8225 173.9305 88 Y 3.4447 8.4497 127.8794 58.0084 38.7628 175.4001 89 Q 4.0279 7.7963 125.5066 55.8370 30.0228 175.9413 90 G 3.3755 5.7855 106.7424 45.1967 0.0000 172.8173 91 N 4.6981 8.3289 113.6500 52.3874 37.5844 174.3856 92 E 4.3964 7.8411 118.6977 54.7383 31.4653 175.7183 93 R 3.9034 8.0811 120.1095 55.5215 29.6623 175.3134 94 L 3.7895 8.1796 128.5142 55.1726 42.3350 176.2933 95 I 3.3707 8.1152 128.2029 63.3562 38.1048 175.8207 *97 Y 5.2467 7.9808 119.2570 56.6424 37.5518 173.3768 98 P 4.8151 0.0000 0.0000 65.1747 33.2336 176.1029 99 V 5.0298 7.9787 120.1605 61.2269 34.3144 174.7444 100 S 4.7933 9.2330 122.1116 56.8665 65.2490 172.3743 101 V 4.8914 9.0862 127.4309 61.3500 34.9545 174.0756 102 T 4.7744 9.2098 124.7431 62.0585 70.5497 173.5929 103 V 4.6282 8.8672 127.5084 61.2364 33.4582 175.2811 104 F 4.8262 9.2282 127.4164 55.7722 40.1776 174.9219 105 P 4.9828 0.0000 0.0000 65.2486 31.1193 177.2177 106 N 4.5700 8.1706 111.9630 53.1566 37.6062 175.6523 107 G 4.0561 8.5335 108.2174 45.3013 0.0000 174.1566 108 T 4.1091 8.2304 117.6541 63.8052 69.4427 173.4196 109 R 5.1832 8.7006 125.3230 54.5887 32.5197 175.4979 110 E 5.0996 9.3258 122.7522 53.0685 33.5785 175.5750 111 G 3.9929 7.8671 111.2696 46.5807 0.0000 170.6177 112 T 5.0440 7.9800 115.8623 62.0099 73.6583 173.2576 113 I 4.7449 8.5899 126.0935 59.6657 39.7375 174.5464 114 F 4.6789 9.6824 128.0748 56.1875 40.1363 175.6909 115 L 4.5984 8.8021 125.0166 53.1887 43.3441 174.9749 116 Y 5.2048 8.5240 122.8454 57.1738 39.6112 174.8471 117 E 4.8214 9.1416 121.9517 53.6346 33.4707 175.3970 118 K 3.6734 7.5724 119.1631 56.3182 33.2591 176.9103 119 E 4.1028 8.4718 121.6879 56.0333 30.1673 176.7864 120 D 4.3454 8.5899 124.6395 55.3279 41.5408 177.5624 121 R 4.1641 8.4310 120.3920 56.4645 29.5272 174.3583 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 1 G 8.21 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 2 I 8.09 4.62 1.97 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 1.41 0.77 0.90 0.00 0.00 3 E 9.58 4.18 0.00 2.00 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 2.20 2.14 0.00 4 I 8.13 4.49 1.80 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 1.16 0.53 0.84 0.00 0.00 5 V 8.46 4.03 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 0.88 0.00 0.00 0.59 0.00 0.00 6 N 8.51 5.06 0.00 2.62 2.94 0.00 0.00 6.84 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 7 R 8.92 4.69 0.00 1.92 1.61 0.00 3.27 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.87 0.00 8 K 8.82 5.01 0.00 1.71 1.73 0.00 1.84 0.00 0.00 1.69 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.44 7.81 9 A 8.39 4.57 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.68 3.72 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 0.68 0.00 0.00 1.00 0.00 0.00 11 W 8.24 5.21 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 12 Y 8.85 5.20 0.00 3.33 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 13 L 8.64 5.45 0.00 1.81 1.83 1.08 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 14 T 9.00 4.52 4.36 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 15 S 8.14 4.35 0.00 4.03 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 16 E 9.53 4.38 0.00 2.04 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 2.30 2.30 0.00 17 I 8.43 5.07 1.89 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 1.42 1.00 0.87 0.00 0.00 18 K 8.85 4.64 0.00 1.70 1.79 0.00 1.26 0.00 0.00 1.54 0.00 0.00 2.75 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.24 1.29 7.81 19 E 8.70 4.56 0.00 1.92 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 2.19 2.20 0.00 20 T 8.63 4.55 4.16 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 1.18 0.00 0.00 21 E 8.70 4.04 0.00 1.89 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 2.27 2.34 0.00 22 T 7.10 4.43 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 1.17 0.00 0.00 23 G 6.92 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 0.00 0.00 0.00 24 I 8.20 4.75 0.56 0.00 0.00 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 0.58 0.62 0.62 0.00 0.00 25 E 8.92 4.72 0.00 1.74 1.73 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 2.11 2.07 0.00 26 V 8.80 4.74 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 1.05 0.00 0.00 0.59 0.00 0.00 27 S 9.03 4.86 0.00 3.91 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 28 A 8.56 4.36 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.72 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 0.00 0.00 0.00 0.00 30 E 8.98 5.26 0.00 1.96 1.70 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 2.21 2.26 0.00 31 L 9.07 4.99 0.00 1.79 1.71 1.11 0.69 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 32 H 9.12 5.05 0.00 1.40 2.68 0.00 5.63 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 33 K 8.72 3.67 0.00 0.79 0.97 0.00 1.55 0.00 0.00 1.50 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.71 0.21 7.81 34 G 8.86 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 0.00 0.00 0.00 35 D 8.65 4.56 0.00 2.65 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 36 E 8.23 4.00 0.00 1.86 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 2.16 2.23 0.00 37 E 7.76 4.51 0.00 1.35 1.75 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 1.98 2.19 0.00 38 V 7.68 4.53 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 0.56 0.00 0.00 0.68 0.00 0.00 39 F 8.99 5.07 0.00 2.92 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 40 P 0.00 4.75 0.00 2.11 2.08 0.00 3.84 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 41 V 8.77 4.43 2.28 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 1.13 0.00 0.00 0.91 0.00 0.00 42 E 9.02 4.74 0.00 2.12 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 2.39 2.38 0.00 43 E 8.77 4.61 0.00 2.15 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 2.30 2.30 0.00 44 V 8.55 4.63 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 -0.09 0.00 0.00 0.84 0.00 0.00 45 S 8.42 5.11 0.00 3.80 3.72 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 46 F 8.19 4.98 0.00 3.08 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 47 D 8.73 4.70 0.00 2.60 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.87 3.70 0.00 1.45 1.47 0.75 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 49 T 7.86 4.16 4.41 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 1.29 0.00 0.00 50 P 0.00 4.68 0.00 2.25 2.22 0.00 3.80 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 51 D 8.23 5.08 0.00 3.07 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 52 D 8.75 4.43 0.00 2.71 2.69 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 53 T 8.09 4.12 3.35 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 0.42 0.00 0.00 54 Y 7.77 4.90 0.00 3.14 2.91 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 55 P 0.00 4.68 0.00 1.92 1.37 0.00 3.89 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 56 V 8.61 4.44 1.93 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 0.05 0.00 0.00 0.77 0.00 0.00 57 E 9.01 4.71 0.00 1.93 1.64 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 2.19 2.25 0.00 58 Y 9.08 5.30 0.00 2.92 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 *60 L 8.13 4.22 0.00 1.75 1.68 0.86 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 9.31 5.15 0.00 3.02 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 62 L 8.64 4.58 0.00 1.31 1.28 -0.81 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 63 H 7.83 5.01 0.00 3.05 2.81 0.00 5.81 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *65 N 8.66 4.65 0.00 2.75 2.76 0.00 0.00 6.56 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 66 V 8.50 3.55 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 0.84 0.00 0.00 0.88 0.00 0.00 67 Q 8.31 4.14 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 68 T 8.32 4.17 4.25 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 1.26 0.00 0.00 69 K 8.25 3.86 0.00 2.04 2.20 0.00 1.90 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.63 7.81 70 K 7.77 4.02 0.00 1.73 1.70 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.38 7.81 71 V 8.17 4.16 1.92 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 0.54 0.00 0.00 0.70 0.00 0.00 72 S 8.62 4.70 0.00 3.58 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 73 W 8.61 5.49 0.00 3.20 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 74 S 9.54 4.99 0.00 4.16 4.03 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 75 L 8.65 4.77 0.00 1.38 1.41 -0.06 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 76 C 8.59 4.82 0.00 3.26 2.91 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 77 K 8.51 4.48 0.00 1.50 1.46 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.69 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.67 0.41 7.81 78 A 8.45 4.66 1.09 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 79 Y 8.45 4.50 0.00 2.73 2.80 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 80 L 8.81 4.64 0.00 1.58 1.65 0.88 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 81 D 7.93 4.51 0.00 2.24 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.45 4.11 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 0.00 0.00 0.00 83 E 8.10 4.58 0.00 1.89 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 2.20 2.25 0.00 84 G 8.64 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 0.00 0.00 0.00 85 Y 7.70 4.72 0.00 3.01 2.85 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 86 C 8.57 4.77 0.00 3.14 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 87 D 8.24 4.68 0.00 2.86 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.45 3.44 0.00 1.54 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 89 Q 7.80 4.03 0.00 1.79 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.11 0.00 90 G 5.79 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 0.00 0.00 0.00 91 N 8.33 4.70 0.00 2.74 2.80 0.00 0.00 5.92 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 92 E 7.84 4.40 0.00 2.06 1.92 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 2.27 2.23 0.00 93 R 8.08 3.90 0.00 1.73 1.65 0.00 3.05 0.00 0.00 3.01 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.46 0.00 94 L 8.18 3.79 0.00 1.02 1.37 0.46 1.07 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 95 I 8.12 3.37 1.57 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.34 0.28 0.00 0.00 *97 Y 7.98 5.25 0.00 3.02 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 98 P 0.00 4.82 0.00 2.40 2.70 0.00 4.20 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 99 V 7.98 5.03 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 0.99 0.00 0.00 1.02 0.00 0.00 100 S 9.23 4.79 0.00 4.15 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 0.00 101 V 9.09 4.89 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 0.97 0.00 0.00 0.99 0.00 0.00 102 T 9.21 4.77 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 0.52 0.00 0.00 103 V 8.87 4.63 2.22 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 1.07 0.00 0.00 1.05 0.00 0.00 104 F 9.23 4.83 0.00 3.15 2.98 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 0.00 105 P 0.00 4.98 0.00 2.10 2.42 0.00 3.99 0.00 0.00 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.28 0.00 106 N 8.17 4.57 0.00 2.86 2.96 0.00 0.00 6.30 7.00 0.00 0.00 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 8.53 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 0.00 0.00 0.00 108 T 8.23 4.11 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 1.26 0.00 0.00 109 R 8.70 5.18 0.00 1.70 1.86 0.00 3.22 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.86 0.00 110 E 9.33 5.10 0.00 2.20 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 0.00 2.30 2.23 0.00 111 G 7.87 3.99 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 0.00 0.00 0.00 112 T 7.98 5.04 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 0.40 0.00 0.00 113 I 8.59 4.74 1.79 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.62 0.89 0.00 0.00 114 F 9.68 4.68 0.00 2.92 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 L 8.80 4.60 0.00 1.47 1.60 0.90 0.70 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 0.00 116 Y 8.52 5.20 0.00 3.11 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 0.00 117 E 9.14 4.82 0.00 1.88 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 2.28 2.19 0.00 118 K 7.57 3.67 0.00 1.33 0.74 0.00 1.44 0.00 0.00 1.55 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.00 1.22 7.81 119 E 8.47 4.10 0.00 1.96 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 2.33 2.42 0.00 120 D 8.59 4.35 0.00 2.64 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 0.00 121 R 8.43 4.16 0.00 1.83 1.69 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.19 0.00 * Residues marked with a * may have inaccurate shift predictions.