NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 R 4.3377 8.1127 119.7070 55.9530 31.8185 176.1015 6 Q 4.0214 8.5494 121.4286 57.4402 28.9189 175.2084 7 E 4.0912 9.0639 119.7826 59.4989 30.0120 178.3378 8 D 4.3991 8.0895 119.3483 56.9721 41.0750 178.3244 9 F 4.2188 8.6189 121.1345 61.0272 39.2573 176.8923 10 A 4.4289 8.5881 120.6080 55.8524 18.1029 179.7752 11 T 3.6102 7.6527 114.0822 66.4922 68.4716 177.0851 12 V 3.4924 7.8211 120.3119 65.9910 31.3777 178.2620 13 V 3.3638 7.4644 116.8035 66.0100 31.4799 177.5873 14 R 3.7511 7.6792 117.3173 58.8266 29.7723 177.6900 15 S 4.5550 7.3027 113.0205 58.5094 64.2480 173.9864 16 T 4.5994 7.0864 113.9934 59.4355 70.3605 171.1308 17 P 4.4010 0.0000 0.0000 63.0791 31.9151 175.9299 18 L 4.2812 8.8514 123.5405 54.4702 43.3922 175.7328 19 V 5.0233 8.3491 121.9011 61.4522 33.7039 174.6615 20 S 5.2689 9.0921 121.2717 56.8025 67.4771 172.3747 21 L 5.3615 8.8107 119.7958 53.0974 44.4687 175.4834 22 D 5.1180 8.7744 122.6873 52.3821 44.0658 175.0270 23 F 5.3747 8.6712 121.7174 56.0156 41.1962 175.6677 24 I 3.9973 8.8907 126.3154 60.0524 37.8012 174.5591 25 V 4.4327 8.2412 127.7096 60.9708 33.4508 173.6656 26 E 4.9657 9.0457 129.7267 54.7053 31.6511 175.4093 27 N 5.1060 8.4475 123.3182 50.5889 39.7368 175.2668 28 S 4.1861 8.1758 111.1213 60.6230 63.3956 174.6758 29 R 4.1421 7.8349 118.7422 55.6049 30.1828 176.7745 30 G 3.8419 7.5222 104.7806 45.3444 0.0000 173.5432 31 E 4.7310 8.1514 119.3740 54.8652 32.2510 174.9711 32 F 6.2060 9.4177 119.7260 54.7481 42.6869 174.5352 33 L 3.8875 8.5667 124.7201 54.6361 42.6408 175.8747 34 L 5.1198 8.9659 125.3862 52.9763 46.2878 175.6543 35 G 3.9942 9.4817 108.8838 43.9259 0.0000 171.7260 36 K 3.2859 7.1326 124.5073 55.2220 32.8998 176.5157 37 R 4.1466 8.3466 127.5123 55.7500 30.4145 177.6965 38 T 3.8462 8.5101 115.2409 62.9248 69.5214 173.8302 39 N 5.0663 7.5243 117.2749 50.2082 40.6012 173.8996 40 R 4.0244 8.1314 117.0634 55.3049 30.6822 175.0309 41 P 4.5539 0.0000 0.0000 61.9684 32.6481 175.3461 42 A 3.8163 8.3801 118.5269 53.0399 15.8844 177.2827 43 Q 4.0323 7.8399 120.9992 57.8017 29.9813 176.4348 44 G 3.8859 8.8633 113.5527 45.6888 0.0000 173.3306 45 Y 4.5860 7.4904 117.5428 57.4932 39.8740 174.4151 46 W 5.1204 9.6169 121.8574 55.5762 31.2520 175.4286 47 F 5.0606 9.4649 125.8039 56.0492 42.8171 174.3305 48 V 4.3034 7.8914 117.3177 61.0294 32.2133 174.6421 49 P 4.5100 0.0000 0.0000 62.4475 32.7957 176.3540 50 G 3.4905 7.9511 107.4040 47.8272 0.0000 171.4738 51 G 4.2522 7.2659 106.7536 45.7792 0.0000 173.1287 52 R 4.8876 8.6000 116.9403 55.4420 30.8845 176.3581 53 V 3.9498 8.8004 121.5500 62.5366 32.5336 176.0894 54 Q 4.4029 9.1067 126.2388 54.2606 29.8909 175.2647 55 K 4.0531 8.4644 120.9375 58.3637 32.3819 176.3005 56 D 4.4781 8.8206 123.6835 54.8923 38.6879 172.7213 57 E 4.4839 7.9846 121.3393 54.9207 30.8316 176.0117 58 T 4.3310 8.2083 116.2663 61.4128 71.2177 175.6386 59 L 4.0805 8.4631 121.9592 57.8776 41.6805 179.7023 60 E 3.9086 8.1700 117.9395 59.4574 29.4727 179.1034 61 A 4.0053 8.0741 120.5122 55.0119 18.4009 179.3560 62 A 4.1996 8.3153 120.9842 54.6934 18.4737 179.5918 63 F 4.0228 8.4216 118.9607 61.6109 39.3930 177.2404 64 E 4.4145 8.2814 119.4782 58.9346 29.1855 179.3868 65 R 3.9113 8.4171 119.1673 59.4401 30.1991 178.5820 66 L 4.1418 8.4833 119.5160 57.6437 41.6239 179.4885 67 T 3.6179 7.8432 109.9612 64.7593 68.6246 176.2102 68 M 3.9225 7.7740 120.7470 58.2044 32.0724 178.0376 69 A 3.9388 7.9042 119.2817 55.4411 18.7474 179.1746 70 E 4.2473 8.5200 115.9170 58.7324 29.8199 178.5449 71 L 4.5230 8.1724 116.9531 53.4806 42.5605 177.1958 72 G 3.8185 8.4613 106.5802 45.6778 0.0000 173.1618 73 L 4.4296 7.5631 121.3403 53.2218 43.7900 175.1629 74 R 4.0540 8.5677 127.7141 55.9359 30.2948 175.3781 75 L 4.7622 8.5241 125.8520 52.0994 44.6522 174.5862 76 P 4.6177 0.0000 0.0000 61.6534 32.8000 176.9357 77 I 2.0000 7.7978 119.4789 63.4784 37.8354 178.0145 78 T 3.9043 7.4276 108.6316 63.6217 68.8878 175.3182 79 A 4.0376 7.8054 125.3616 54.1147 18.6651 177.6171 80 G 4.4474 7.2562 103.2778 45.3754 0.0000 173.6320 81 Q 4.6748 9.5848 126.5507 54.8145 30.3251 174.7997 82 F 4.3845 9.3181 129.5332 58.5827 40.0126 174.1895 83 Y 4.4144 8.1900 128.9316 57.1337 39.2758 176.6168 84 G 3.4470 5.9086 101.9828 44.5826 0.0000 172.7734 85 V 4.8206 7.9128 119.1135 61.2793 32.3740 175.1956 86 W 4.8563 9.8034 128.2948 55.0722 32.8175 174.9558 87 Q 4.8037 8.6982 119.0635 54.7600 31.7057 174.4331 88 H 4.9408 8.9867 121.5891 53.8270 31.9066 173.1604 89 F 5.3277 8.5566 120.9444 55.9674 41.6531 173.9599 90 Y 4.9262 9.1944 121.7653 56.2578 40.5917 176.9957 91 D 4.4474 9.1775 122.1509 55.9671 41.5711 175.2493 92 D 5.1332 7.8757 118.4640 51.4382 42.4377 173.6387 93 N 5.2684 8.5350 114.8462 51.0853 40.3569 174.9665 94 F 4.4623 9.3366 112.6855 58.7833 37.5773 176.3657 95 S 4.2338 7.3788 113.3944 57.4780 64.6957 175.3799 96 G 3.8904 5.7651 110.5926 46.2178 0.0000 173.9593 97 T 4.6514 7.8759 116.5632 61.3592 69.2087 174.9143 98 D 4.5591 7.8653 122.7650 56.7291 41.3264 175.7714 99 F 5.0606 6.8356 111.7458 55.9055 40.9664 174.0553 100 T 4.7305 8.6925 110.2761 61.6726 70.5412 173.7864 101 T 4.8074 8.9922 118.4428 62.0370 72.3334 172.8602 102 H 5.2762 8.6311 124.1178 54.7731 33.1147 171.2167 103 Y 5.0234 9.3054 124.0907 56.2887 40.6330 174.8404 104 V 4.6111 8.9535 124.4717 61.3332 33.6350 174.4155 105 V 4.9213 9.2101 128.5472 61.1564 34.3854 174.1876 106 L 4.9364 9.2166 129.0708 53.6561 42.7646 176.2124 107 G 4.1670 8.9153 112.5884 45.7582 0.0000 171.8437 108 F 5.6644 9.4165 121.2254 55.5405 43.7931 173.6493 109 R 4.9609 9.4920 123.4705 54.5178 32.7883 174.3561 110 F 5.3313 8.4980 119.7177 56.0096 42.0141 172.5612 111 R 5.1318 8.8087 119.5258 54.8342 31.7193 174.9482 112 V 4.6782 9.3310 118.5543 59.8094 36.9102 174.2335 113 S 4.7226 8.3593 117.0060 57.1570 63.7277 174.9316 114 E 3.7020 8.9225 126.6974 59.3894 29.3125 178.0468 115 E 4.0857 8.1169 116.0029 59.2125 29.7591 177.0666 116 E 4.5428 7.8734 117.9892 56.7244 29.8247 176.1078 117 L 4.7510 7.6525 117.0192 52.9989 45.5904 177.7927 118 L 4.3459 8.2220 125.5056 54.0463 41.8735 175.2575 119 L 4.3752 7.7956 125.4047 52.3956 44.9342 174.6322 *126 D 4.6375 8.3473 117.5005 55.0060 42.6180 174.0496 127 Y 5.5013 8.7983 118.9526 56.5917 41.5398 175.1406 128 R 4.7624 9.2391 119.8972 54.5821 35.3468 173.9085 129 W 5.2008 8.7828 121.0394 55.0881 31.2130 175.3450 130 L 4.9918 8.8695 124.5755 52.6719 45.1439 176.8974 131 T 4.3499 8.5246 112.7800 61.3285 69.9149 174.9684 132 S 3.7717 9.1134 116.7493 61.9262 62.0677 176.3060 133 D 4.3041 8.0930 120.4026 57.3856 40.5227 178.5567 134 A 3.9829 7.9259 121.3808 54.9741 18.1434 179.6851 135 L 3.8644 7.7585 117.5232 58.8900 40.6297 179.2709 136 L 4.0499 7.7343 118.8315 56.8728 41.6268 178.3576 137 A 4.4769 7.5086 118.2567 51.4947 19.2475 177.1929 138 S 4.3346 7.2323 115.6747 57.9446 63.2528 174.9843 139 D 4.6704 8.6572 125.1924 56.0902 41.2852 177.0202 140 N 4.5596 8.0696 115.7093 53.9333 39.2146 174.5317 141 V 4.6813 7.2645 117.9653 61.5682 32.6324 175.1841 142 H 4.0813 9.0952 127.1236 55.7517 30.6423 175.6718 143 A 3.9326 8.2694 127.1508 55.7591 17.7510 179.8981 144 N 4.1566 8.2938 113.1246 55.7179 38.7814 177.0842 145 S 4.0133 7.5484 116.5947 60.8351 63.2813 176.6199 146 R 4.0074 7.8401 119.9696 59.1891 29.7614 178.5428 147 A 3.9510 7.8189 120.6049 55.5358 18.0269 179.2005 148 Y 3.7965 6.8932 113.9851 60.0957 37.7396 177.3910 149 F 4.7037 7.8999 116.1788 56.7995 39.5562 174.8496 150 L 4.7225 7.7301 122.2585 52.5675 43.4078 177.3777 151 A 4.0540 8.7838 126.8687 55.2617 18.6071 179.0840 152 E 4.1055 8.1334 115.3881 58.8779 29.9657 177.8951 153 K 4.2690 7.7524 117.4833 58.5799 32.6040 178.5478 154 R 3.8592 7.8131 117.0861 58.6338 30.2448 177.0016 155 T 3.8483 7.6244 108.6244 62.7060 69.1199 174.5182 156 G 3.7083 8.7993 113.4361 45.4444 0.0000 172.7289 157 V 3.6213 7.0366 120.5894 60.2521 31.9508 173.7631 158 P 4.3682 0.0000 0.0000 64.4450 31.4780 177.2570 159 G 4.1698 9.1886 111.5393 45.0262 0.0000 173.1971 160 L 4.1737 7.4196 124.2776 54.7173 41.9149 176.1478 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 5 R 8.11 4.34 0.00 1.92 1.96 0.00 3.10 0.00 0.00 3.35 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 6 Q 8.55 4.02 0.00 2.31 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.88 0.00 0.00 0.00 0.00 0.00 2.94 2.71 0.00 7 E 9.06 4.09 0.00 2.28 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 0.00 2.41 2.44 0.00 8 D 8.09 4.40 0.00 2.93 2.81 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 9 F 8.62 4.22 0.00 3.10 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 10 A 8.59 4.43 1.60 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 0.00 0.00 11 T 7.65 3.61 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 1.15 0.00 0.00 12 V 7.82 3.49 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 0.88 0.00 0.00 0.96 0.00 0.00 13 V 7.46 3.36 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 1.02 0.00 0.00 0.28 0.00 0.00 14 R 7.68 3.75 0.00 0.67 1.63 0.00 2.97 0.00 0.00 3.01 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.17 0.00 15 S 7.30 4.55 0.00 3.79 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 16 T 7.09 4.60 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 1.19 0.00 0.00 17 P 0.00 4.40 0.00 1.93 1.47 0.00 3.79 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 18 L 8.85 4.28 0.00 1.08 1.54 0.50 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 19 V 8.35 5.02 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 1.13 0.00 0.00 0.97 0.00 0.00 20 S 9.09 5.27 0.00 4.03 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 0.00 21 L 8.81 5.36 0.00 1.27 1.69 1.14 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 22 D 8.77 5.12 0.00 2.59 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 0.00 0.00 0.00 0.00 23 F 8.67 5.37 0.00 2.87 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 24 I 8.89 4.00 1.30 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 -0.05 0.53 0.00 0.00 25 V 8.24 4.43 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 1.17 0.00 0.00 0.78 0.00 0.00 26 E 9.05 4.97 0.00 1.95 1.68 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 1.87 1.47 0.00 27 N 8.45 5.11 0.00 2.31 1.61 0.00 0.00 6.63 7.26 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 28 S 8.18 4.19 0.00 3.90 3.92 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 29 R 7.83 4.14 0.00 1.89 1.88 0.00 3.18 0.00 0.00 3.11 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.39 0.00 30 G 7.52 3.84 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 0.00 0.00 0.00 31 E 8.15 4.73 0.00 2.10 2.23 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 2.36 2.39 0.00 32 F 9.42 6.21 0.00 2.87 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 33 L 8.57 3.89 0.00 0.27 1.24 -0.03 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.97 5.12 0.00 1.65 1.74 0.87 0.80 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 35 G 9.48 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 36 K 7.13 3.29 0.00 0.79 0.76 0.00 1.43 0.00 0.00 1.43 0.00 0.00 2.68 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.93 0.57 7.81 37 R 8.35 4.15 0.00 1.80 1.68 0.00 2.62 0.00 0.00 2.80 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.46 0.00 38 T 8.51 3.85 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 1.08 0.00 0.00 39 N 7.52 5.07 0.00 2.80 2.79 0.00 0.00 6.07 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 40 R 8.13 4.02 0.00 1.91 1.96 0.00 3.07 0.00 0.00 3.44 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.57 0.00 41 P 0.00 4.55 0.00 1.32 2.10 0.00 3.41 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.74 0.00 42 A 8.38 3.82 1.20 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 0.00 0.00 0.00 43 Q 7.84 4.03 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.68 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 44 G 8.86 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 45 Y 7.49 4.59 0.00 3.18 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 46 W 9.62 5.12 0.00 3.34 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 47 F 9.46 5.06 0.00 3.03 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 48 V 7.89 4.30 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.90 0.00 0.00 49 P 0.00 4.51 0.00 2.36 2.20 0.00 4.02 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 50 G 7.95 3.49 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 0.00 0.00 0.00 51 G 7.27 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 0.00 0.00 0.00 0.00 52 R 8.60 4.89 0.00 2.11 2.13 0.00 3.17 0.00 0.00 3.38 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 53 V 8.80 3.95 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 0.85 0.00 0.00 1.04 0.00 0.00 54 Q 9.11 4.40 0.00 2.24 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.72 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 55 K 8.46 4.05 0.00 1.71 1.75 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.55 7.81 56 D 8.82 4.48 0.00 2.89 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 57 E 7.98 4.48 0.00 2.03 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 2.29 2.26 0.00 58 T 8.21 4.33 4.49 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 1.23 0.00 0.00 59 L 8.46 4.08 0.00 1.78 1.89 1.02 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.17 3.91 0.00 2.06 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 2.37 2.39 0.00 61 A 8.07 4.01 1.35 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 62 A 8.32 4.20 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 0.00 0.00 63 F 8.42 4.02 0.00 3.22 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 64 E 8.28 4.41 0.00 2.26 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 2.56 2.44 0.00 65 R 8.42 3.91 0.00 1.92 2.16 0.00 3.09 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 66 L 8.48 4.14 0.00 2.00 1.99 0.97 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 67 T 7.84 3.62 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 0.04 0.00 0.00 68 M 7.77 3.92 0.00 2.28 2.08 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.56 0.00 69 A 7.90 3.94 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 70 E 8.52 4.25 0.00 2.22 2.23 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 2.51 2.64 0.00 71 L 8.17 4.52 0.00 1.69 1.74 1.00 0.97 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 72 G 8.46 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 0.00 0.00 0.00 73 L 7.56 4.43 0.00 1.54 1.52 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.57 4.05 0.00 1.79 1.81 0.00 3.22 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.80 0.00 75 L 8.52 4.76 0.00 1.51 1.37 0.42 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.62 0.00 2.08 2.09 0.00 3.61 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.88 0.00 77 I 7.80 2.00 1.37 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.04 0.70 0.00 0.00 78 T 7.43 3.90 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 1.13 0.00 0.00 79 A 7.81 4.04 1.19 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 80 G 7.26 4.45 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 0.00 81 Q 9.58 4.67 0.00 2.31 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.91 0.00 0.00 0.00 0.00 0.00 2.56 2.49 0.00 82 F 9.32 4.38 0.00 3.04 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 83 Y 8.19 4.41 0.00 2.74 2.66 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 0.00 0.00 0.00 0.00 84 G 5.91 3.45 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 0.00 85 V 7.91 4.82 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 0.88 0.00 0.00 1.18 0.00 0.00 86 W 9.80 4.86 0.00 3.25 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 87 Q 8.70 4.80 0.00 1.98 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.68 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 88 H 8.99 4.94 0.00 3.17 2.95 0.00 5.57 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 F 8.56 5.33 0.00 2.80 2.87 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 90 Y 9.19 4.93 0.00 2.94 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 91 D 9.18 4.45 0.00 2.73 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 92 D 7.88 5.13 0.00 2.91 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 93 N 8.54 5.27 0.00 2.73 2.73 0.00 0.00 6.66 7.64 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 94 F 9.34 4.46 0.00 3.26 3.33 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 95 S 7.38 4.23 0.00 3.65 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 96 G 5.77 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 97 T 7.88 4.65 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 1.16 0.00 0.00 98 D 7.87 4.56 0.00 2.79 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 99 F 6.84 5.06 0.00 3.13 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 0.00 100 T 8.69 4.73 4.50 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 0.00 0.00 0.00 1.29 0.00 0.00 101 T 8.99 4.81 4.50 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 0.00 0.00 0.00 1.09 0.00 0.00 102 H 8.63 5.28 0.00 3.29 3.10 0.00 5.65 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 9.31 5.02 0.00 2.90 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 0.00 104 V 8.95 4.61 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 0.99 0.00 0.00 0.91 0.00 0.00 105 V 9.21 4.92 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 1.10 0.00 0.00 0.89 0.00 0.00 106 L 9.22 4.94 0.00 2.08 2.04 1.19 1.17 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 0.00 107 G 8.92 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 0.00 0.00 0.00 0.00 108 F 9.42 5.66 0.00 3.73 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 0.00 109 R 9.49 4.96 0.00 1.20 1.70 0.00 2.22 0.00 0.00 3.02 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 110 F 8.50 5.33 0.00 3.16 3.33 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 0.00 111 R 8.81 5.13 0.00 1.89 1.89 0.00 3.34 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 112 V 9.33 4.68 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 1.07 0.00 0.00 1.21 0.00 0.00 113 S 8.36 4.72 0.00 3.91 3.74 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 0.00 0.00 0.00 114 E 8.92 3.70 0.00 1.45 1.76 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 1.47 1.47 0.00 115 E 8.12 4.09 0.00 1.97 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 2.24 2.24 0.00 116 E 7.87 4.54 0.00 1.98 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 2.29 2.25 0.00 117 L 7.65 4.75 0.00 1.54 1.66 1.23 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 118 L 8.22 4.35 0.00 1.76 1.69 0.91 0.43 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 0.00 119 L 7.80 4.38 0.00 1.40 1.06 0.93 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 *126 D 8.35 4.64 0.00 2.93 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 0.00 127 Y 8.80 5.50 0.00 2.83 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 0.00 128 R 9.24 4.76 0.00 1.22 1.50 0.00 2.21 0.00 0.00 2.64 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.50 0.00 129 W 8.78 5.20 0.00 3.13 3.21 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 0.00 130 L 8.87 4.99 0.00 1.51 1.46 0.81 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 131 T 8.52 4.35 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 1.21 0.00 0.00 132 S 9.11 3.77 0.00 4.12 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 0.00 133 D 8.09 4.30 0.00 2.72 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 0.00 134 A 7.93 3.98 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 0.00 135 L 7.76 3.86 0.00 1.63 1.64 0.47 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 136 L 7.73 4.05 0.00 1.78 1.76 0.95 0.90 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 0.00 137 A 7.51 4.48 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 138 S 7.23 4.33 0.00 3.95 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 0.00 139 D 8.66 4.67 0.00 2.70 2.79 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 0.00 140 N 8.07 4.56 0.00 2.76 2.98 0.00 0.00 6.75 7.68 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 0.00 141 V 7.26 4.68 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 0.82 0.00 0.00 0.92 0.00 0.00 142 H 9.10 4.08 0.00 3.44 3.33 0.00 5.67 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 A 8.27 3.93 1.19 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 0.00 144 N 8.29 4.16 0.00 2.88 2.55 0.00 0.00 6.89 7.57 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 0.00 145 S 7.55 4.01 0.00 3.67 3.71 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 0.00 146 R 7.84 4.01 0.00 1.81 1.98 0.00 3.24 0.00 0.00 3.63 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.82 0.00 147 A 7.82 3.95 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 0.00 148 Y 6.89 3.80 0.00 2.29 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 0.00 0.00 0.00 149 F 7.90 4.70 0.00 2.90 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 0.00 150 L 7.73 4.72 0.00 1.90 1.61 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 151 A 8.78 4.05 1.34 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 0.00 152 E 8.13 4.11 0.00 1.96 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 2.29 2.28 0.00 153 K 7.75 4.27 0.00 2.21 2.14 0.00 1.86 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.61 7.81 154 R 7.81 3.86 0.00 2.06 1.88 0.00 3.18 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.95 0.00 155 T 7.62 3.85 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 1.22 0.00 0.00 156 G 8.80 3.71 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 0.00 0.00 0.00 157 V 7.04 3.62 1.57 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 -0.05 0.00 0.00 -0.16 0.00 0.00 158 P 0.00 4.37 0.00 2.21 1.97 0.00 3.61 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 2.07 2.04 0.00 159 G 9.19 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 0.00 0.00 0.00 0.00 160 L 7.42 4.17 0.00 1.52 1.34 0.50 0.08 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 * Residues marked with a * may have inaccurate shift predictions.