NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.4403 8.3027 118.6731 56.1358 32.4707 173.6978 2 V 4.5200 8.2231 116.7076 63.5447 32.1253 173.8588 3 Q 4.7103 9.4862 128.4525 54.5948 33.1455 172.5227 4 L 5.2982 8.5681 123.8112 52.9854 45.6431 175.4515 5 V 4.7890 8.8665 123.4456 61.3213 34.3178 174.1436 6 E 5.8017 9.7187 127.9118 54.7279 31.8576 175.2233 7 S 4.5110 8.5339 115.4548 57.6164 67.0668 173.2144 8 G 4.0061 8.5203 105.9507 44.9471 0.0000 172.0446 9 G 3.7062 7.8340 103.7136 43.3985 0.0000 172.7643 10 G 4.0182 7.5204 103.8968 44.0968 0.0000 173.6149 11 L 5.2161 8.4359 125.9145 53.3437 44.9869 176.0668 12 V 4.6283 8.4981 117.8286 59.6697 36.6945 174.7426 13 Q 5.2026 8.3081 119.9706 53.5899 30.6370 174.0473 14 P 4.4633 0.0000 0.0000 64.7905 31.6937 177.0688 15 G 3.9286 9.2306 112.0451 45.0043 0.0000 173.6852 16 G 4.0626 7.9969 107.6042 45.9375 0.0000 172.5858 17 S 5.6565 8.1354 112.8826 55.6688 66.0828 173.3588 18 L 4.7001 8.0330 119.8340 53.3181 46.6543 175.0214 19 R 4.6684 8.1639 120.1001 54.6215 32.4456 174.6821 20 L 4.5180 8.5519 127.3477 54.4249 43.4350 176.3003 21 S 5.2786 9.0638 117.3090 57.1655 67.0266 172.7676 22 C 5.3703 9.3006 122.7196 54.8750 46.7449 171.7271 23 A 4.7385 9.0147 128.4258 51.1154 19.6229 176.2795 24 T 5.7316 8.3693 112.5683 59.5594 71.9221 173.4270 25 S 4.4191 8.5411 115.2631 58.0192 66.3882 174.9748 26 G 4.0255 10.9384 108.2268 46.6021 0.0000 172.3796 27 Y 4.7624 6.8658 115.2670 55.7364 40.8491 174.5686 28 T 4.0390 8.6860 117.1927 63.3374 67.9847 175.0373 29 F 3.9992 9.0496 130.4234 61.5976 39.2196 177.1281 30 T 3.7982 7.9258 106.7496 62.9836 68.9005 174.5167 31 E 4.2989 8.0670 120.9826 56.8996 29.8507 175.7655 32 Y 4.6855 7.3797 116.3282 56.2209 42.1813 175.0694 33 T 4.4363 8.4445 113.5669 61.8155 70.9770 173.2196 34 M 5.3465 8.6532 121.6220 54.0898 36.2647 174.3432 35 H 5.4193 8.9789 117.6230 54.0051 33.9794 172.1336 36 W 5.3120 9.0673 120.8989 55.5026 31.2944 175.2767 37 M 5.4612 9.5847 124.0815 53.5610 35.6154 174.7643 38 R 4.9824 9.1112 117.1272 54.6265 34.0418 174.3103 39 Q 4.9776 9.0099 119.8418 53.3445 31.7320 174.0877 40 A 4.5740 8.5020 129.8039 50.9054 19.3317 174.8788 41 P 4.4663 0.0000 0.0000 63.9022 31.6396 177.4068 42 G 3.9309 8.9860 111.1810 45.5090 0.0000 172.8690 43 K 4.6111 7.8299 119.3690 54.8413 34.6441 174.3413 44 G 4.2206 8.0895 108.2975 44.8887 0.0000 172.4772 45 L 4.7216 8.2665 118.9071 54.5120 42.9700 176.4289 46 E 4.7975 9.0748 122.4557 54.1835 33.1754 174.3301 47 W 4.6277 9.2280 135.0000 57.9599 31.2947 174.8924 48 V 4.0703 8.2697 125.6532 63.9176 33.2484 175.0812 49 A 4.2183 6.4747 118.8034 50.7901 22.3265 175.1371 50 G 4.5448 8.8454 106.8805 44.7929 0.0000 171.4010 51 I 5.0516 8.4369 120.3507 59.1938 42.3734 173.1953 52 N 5.0434 8.9315 127.9573 51.4811 39.6643 173.9541 53 P 4.4010 0.0000 0.0000 64.8429 31.9249 178.1484 54 K 4.1457 8.3070 118.1398 58.7513 31.9247 177.4422 55 N 4.8555 7.7202 111.3173 51.7009 38.2358 174.6891 56 G 3.8797 8.4012 106.0687 46.0971 0.0000 174.0431 57 G 3.8503 8.3981 108.6863 46.2990 0.0000 173.4736 58 T 5.3632 8.5350 115.1961 60.0352 72.0725 173.2940 59 S 4.7970 8.5544 115.9753 57.3773 66.8424 172.4437 60 Y 5.0187 8.5684 117.4314 56.0444 41.9314 175.1033 61 A 4.5723 8.7127 124.7271 51.9349 19.2907 178.7380 62 D 4.4240 8.9777 120.0362 57.1842 41.1423 178.5099 63 S 4.2530 8.0514 112.4799 60.1463 63.4109 174.9682 64 V 3.8179 7.5158 112.4911 59.9160 33.1655 175.6079 65 K 3.7446 7.8367 119.7223 58.3819 32.5552 175.6863 66 G 4.0428 8.7297 110.9329 45.2219 0.0000 174.2541 67 R 4.3228 8.0113 117.6433 56.8063 31.2113 176.0732 68 F 5.5163 7.7405 114.4864 56.1098 41.8697 175.6227 69 T 4.7488 8.6475 117.0762 62.0180 72.1984 172.7885 70 I 5.1401 9.2133 127.5542 59.9590 39.7726 174.5325 71 S 5.0098 8.9727 122.1650 57.4550 67.0000 172.8235 72 V 5.0976 8.4546 118.3867 60.0641 34.7631 174.6672 73 D 4.9025 9.2484 122.5329 52.5694 42.8646 176.7719 74 K 4.1622 8.8753 127.2768 59.1943 32.5774 179.9645 75 S 4.2113 7.9157 113.0211 60.6663 63.0499 175.1356 76 K 4.1898 8.1063 117.2453 55.3520 32.4564 175.7422 77 N 3.1400 7.0682 114.6006 54.1286 36.9380 173.3761 78 T 4.7259 7.0711 112.7852 61.5671 71.7118 173.4365 79 L 5.0899 8.6049 127.4220 53.9220 44.5966 174.7576 80 Y 5.5584 9.2921 121.9130 56.3557 42.9041 174.4334 81 L 4.6545 8.5478 122.7750 53.5561 45.3570 174.7756 82 Q 4.3667 8.7641 128.9428 55.3878 30.8026 174.1983 83 M 4.1297 8.6379 126.3878 53.6151 34.3114 174.9025 84 N 4.9636 8.9407 121.3222 50.6854 41.6064 174.9067 85 S 3.6745 8.4467 113.3727 59.2989 60.7706 173.0918 86 L 4.3892 7.8206 119.6615 55.1986 42.5827 177.2459 87 R 4.9067 9.0630 116.5625 53.9690 33.0913 175.8973 88 A 4.3084 8.7112 121.1205 55.6207 18.2973 179.6199 89 E 4.1908 8.1488 113.1733 58.6177 29.5737 177.2232 90 D 4.7992 8.3402 118.0713 54.5785 41.3264 176.8655 91 T 4.1236 7.8258 117.1959 63.9484 68.8909 173.2403 92 A 4.3094 8.1941 126.6228 51.5914 23.8278 174.9292 93 V 4.2917 7.8900 119.8013 62.5196 32.9327 174.3343 94 Y 5.0540 9.1970 126.4120 56.7049 40.1985 174.2190 95 Y 5.6520 9.6608 121.9848 56.4544 41.3235 172.8828 96 C 4.5992 9.0554 118.2832 54.5768 45.3340 172.2763 97 A 4.7351 8.0715 119.5417 50.8958 22.7026 175.2074 98 R 4.7148 8.8125 121.7545 54.7896 32.1341 174.8034 99 W 4.9658 8.7063 135.0000 55.7967 32.3389 175.1862 100 R 4.0897 8.1922 128.9740 55.6999 30.2730 174.7659 101 G 4.0172 8.6056 118.7864 45.4915 0.0000 172.1029 102 L 4.8481 8.1171 117.3555 54.4976 42.5565 176.8501 *107 D 4.4540 7.9287 114.5752 53.7695 40.8921 174.1717 108 V 4.6421 7.3051 120.8214 63.8740 34.4516 173.5357 109 R 2.6645 8.0280 110.2011 56.3021 26.9050 174.3519 110 Y 4.1510 5.3700 115.1375 55.3115 41.4569 174.3723 111 F 4.8655 8.6256 119.8832 56.6979 39.3772 175.5802 112 D 4.9822 8.5574 125.3470 53.4072 40.8326 176.7213 113 V 4.6258 7.4284 119.5320 60.8930 34.9958 173.8703 114 W 5.1002 8.9562 126.5390 54.6097 31.5023 175.6070 115 G 4.1624 9.0025 111.4293 45.7865 0.0000 174.1411 116 Q 4.2031 8.8987 116.6491 56.3456 29.3177 176.7525 117 G 3.7209 8.6391 106.9821 46.2150 0.0000 172.8070 118 T 4.6850 8.3879 115.4930 59.9038 71.4702 172.3080 119 L 4.8359 8.5054 129.7326 54.4400 44.0916 175.1225 120 V 4.7721 8.9218 125.8865 61.4245 34.4078 174.0087 121 T 4.8738 8.8370 124.6134 61.7147 71.2662 173.2929 122 V 4.6808 8.6254 127.3422 61.4971 33.0223 174.7596 123 S 4.6850 8.7922 121.6610 57.4757 66.9019 174.9167 124 S 4.3778 8.5018 115.8433 58.8023 62.8950 174.3517 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 E 8.30 4.44 0.00 1.68 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 2.21 1.89 0.00 2 V 8.22 4.52 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 0.59 0.00 0.00 0.91 0.00 0.00 3 Q 9.49 4.71 0.00 2.15 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.63 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 4 L 8.57 5.30 0.00 1.66 1.52 0.99 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.87 4.79 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 1.08 0.00 0.00 0.96 0.00 0.00 6 E 9.72 5.80 0.00 2.00 2.18 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 2.35 2.42 0.00 7 S 8.53 4.51 0.00 3.87 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 8 G 8.52 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 0.00 0.00 0.00 9 G 7.83 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 10 G 7.52 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.44 5.22 0.00 1.60 1.49 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.50 4.63 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 0.71 0.00 0.00 0.88 0.00 0.00 13 Q 8.31 5.20 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.02 0.00 0.00 0.00 0.00 0.00 2.41 2.28 0.00 14 P 0.00 4.46 0.00 2.03 2.02 0.00 3.64 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 15 G 9.23 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 16 G 8.00 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 17 S 8.14 5.66 0.00 3.85 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 18 L 8.03 4.70 0.00 1.31 1.33 0.80 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.16 4.67 0.00 1.64 1.70 0.00 3.46 0.00 0.00 3.15 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.52 0.00 20 L 8.55 4.52 0.00 1.11 1.13 0.67 -0.14 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 21 S 9.06 5.28 0.00 3.83 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 22 C 9.30 5.37 0.00 2.69 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 23 A 9.01 4.74 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 24 T 8.37 5.73 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 1.40 0.00 0.00 25 S 8.54 4.42 0.00 3.86 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 26 G 10.94 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 0.00 0.00 0.00 27 Y 6.87 4.76 0.00 3.07 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 28 T 8.69 4.04 4.42 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 1.28 0.00 0.00 29 F 9.05 4.00 0.00 2.94 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 30 T 7.93 3.80 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 1.30 0.00 0.00 31 E 8.07 4.30 0.00 2.17 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 2.38 2.43 0.00 32 Y 7.38 4.69 0.00 2.76 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 33 T 8.44 4.44 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 1.19 0.00 0.00 34 M 8.65 5.35 0.00 1.81 1.86 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 35 H 8.98 5.42 0.00 3.26 3.38 0.00 5.78 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 W 9.07 5.31 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 37 M 9.58 5.46 0.00 2.23 2.03 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.63 0.00 38 R 9.11 4.98 0.00 1.05 1.18 0.00 2.49 0.00 0.00 2.96 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.42 0.00 39 Q 9.01 4.98 0.00 2.30 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.02 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 40 A 8.50 4.57 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 41 P 0.00 4.47 0.00 2.07 2.03 0.00 3.75 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 42 G 8.99 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 43 K 7.83 4.61 0.00 1.87 1.80 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.52 7.81 44 G 8.09 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 45 L 8.27 4.72 0.00 1.65 1.76 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 46 E 9.07 4.80 0.00 2.07 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 2.33 2.34 0.00 47 W 9.23 4.63 0.00 3.32 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 48 V 8.27 4.07 2.24 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 1.13 0.00 0.00 1.05 0.00 0.00 49 A 6.47 4.22 1.16 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 0.00 0.00 50 G 8.85 4.54 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 0.00 51 I 8.44 5.05 1.87 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.52 0.92 0.00 0.00 52 N 8.93 5.04 0.00 2.74 2.74 0.00 0.00 7.08 8.35 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 53 P 0.00 4.40 0.00 1.87 1.89 0.00 3.63 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 1.88 1.82 0.00 54 K 8.31 4.15 0.00 1.94 1.85 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.71 1.48 7.81 55 N 7.72 4.86 0.00 2.75 2.84 0.00 0.00 6.03 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 56 G 8.40 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.40 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 0.00 0.00 0.00 58 T 8.54 5.36 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 1.32 0.00 0.00 59 S 8.55 4.80 0.00 4.13 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 60 Y 8.57 5.02 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 61 A 8.71 4.57 1.36 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 0.00 0.00 0.00 62 D 8.98 4.42 0.00 2.73 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 63 S 8.05 4.25 0.00 3.90 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 64 V 7.52 3.82 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 0.19 0.00 0.00 0.83 0.00 0.00 65 K 7.84 3.74 0.00 1.80 1.85 0.00 1.57 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.62 1.40 7.81 66 G 8.73 4.04 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 0.00 0.00 0.00 67 R 8.01 4.32 0.00 1.87 2.32 0.00 3.27 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 68 F 7.74 5.52 0.00 2.65 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 69 T 8.65 4.75 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 1.30 0.00 0.00 70 I 9.21 5.14 2.06 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 1.48 1.37 0.86 0.00 0.00 71 S 8.97 5.01 0.00 4.06 4.04 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 72 V 8.45 5.10 2.24 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 1.01 0.00 0.00 1.22 0.00 0.00 73 D 9.25 4.90 0.00 2.98 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 74 K 8.88 4.16 0.00 1.94 1.95 0.00 1.80 0.00 0.00 1.97 0.00 0.00 3.20 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.82 1.61 7.81 75 S 7.92 4.21 0.00 3.96 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 76 K 8.11 4.19 0.00 1.72 1.80 0.00 1.97 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.45 7.81 77 N 7.07 3.14 0.00 2.58 2.29 0.00 0.00 6.78 6.93 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 78 T 7.07 4.73 3.94 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 0.71 0.00 0.00 79 L 8.60 5.09 0.00 1.85 1.62 1.13 0.16 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 80 Y 9.29 5.56 0.00 2.95 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 81 L 8.55 4.65 0.00 0.27 0.36 0.96 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 8.76 4.37 0.00 2.15 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.51 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 83 M 8.64 4.13 0.00 0.88 1.36 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.81 0.00 84 N 8.94 4.96 0.00 2.70 2.72 0.00 0.00 7.30 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 85 S 8.45 3.67 0.00 3.95 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 86 L 7.82 4.39 0.00 1.81 1.61 0.80 0.67 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 87 R 9.06 4.91 0.00 1.94 1.98 0.00 2.80 0.00 0.00 3.36 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.57 0.00 88 A 8.71 4.31 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 89 E 8.15 4.19 0.00 1.99 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 0.00 2.33 2.29 0.00 90 D 8.34 4.80 0.00 2.88 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 91 T 7.83 4.12 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 1.28 0.00 0.00 92 A 8.19 4.31 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 7.89 4.29 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 0.43 0.00 0.00 0.90 0.00 0.00 94 Y 9.20 5.05 0.00 2.98 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 95 Y 9.66 5.65 0.00 3.10 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 96 C 9.06 4.60 0.00 2.22 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 97 A 8.07 4.74 -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 0.00 0.00 0.00 98 R 8.81 4.71 0.00 1.65 1.70 0.00 2.21 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.37 0.00 99 W 8.71 4.97 0.00 3.27 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 0.00 100 R 8.19 4.09 0.00 1.55 0.66 0.00 3.29 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.20 0.00 101 G 8.61 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 102 L 8.12 4.85 0.00 1.64 1.70 0.91 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 *107 D 7.93 4.45 0.00 2.77 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 0.00 108 V 7.31 4.64 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 0.79 0.00 0.00 0.86 0.00 0.00 109 R 8.03 2.66 0.00 1.91 1.95 0.00 3.27 0.00 0.00 3.41 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 110 Y 5.37 4.15 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 0.00 111 F 8.63 4.87 0.00 3.25 2.64 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 0.00 0.00 0.00 112 D 8.56 4.98 0.00 2.86 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 0.00 113 V 7.43 4.63 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 1.07 0.00 0.00 0.81 0.00 0.00 114 W 8.96 5.10 0.00 3.04 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 0.00 115 G 9.00 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 0.00 0.00 0.00 0.00 116 Q 8.90 4.20 0.00 2.27 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.44 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 117 G 8.64 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 0.00 0.00 0.00 118 T 8.39 4.69 4.31 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 1.32 0.00 0.00 119 L 8.51 4.84 0.00 1.82 1.52 1.01 0.81 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 0.00 120 V 8.92 4.77 2.18 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 0.83 0.00 0.00 0.63 0.00 0.00 121 T 8.84 4.87 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 1.22 0.00 0.00 122 V 8.63 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 0.84 0.00 0.00 0.99 0.00 0.00 123 S 8.79 4.69 0.00 3.92 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 0.00 124 S 8.50 4.38 0.00 3.87 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 * Residues marked with a * may have inaccurate shift predictions.