NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2809 8.2644 123.5792 51.4696 19.9468 176.3724 2 Q 3.6963 8.5140 121.9856 55.4114 29.4769 171.1325 3 V 3.7730 8.9008 126.2170 61.6835 31.8234 175.2941 4 I 4.0801 8.0323 129.7952 60.9034 36.6696 175.7563 5 N 5.0492 8.5149 120.9951 51.9254 38.6818 174.1622 6 T 4.5832 7.6148 109.7575 60.3751 72.2107 175.1131 7 F 4.3278 8.2446 120.1905 61.3432 38.8913 177.8846 8 D 4.5783 8.3272 117.7728 57.1846 40.8084 178.9455 9 G 3.6369 8.1228 106.2624 47.9170 0.0000 176.0273 10 V 3.7013 8.2938 121.2205 65.3402 31.5591 177.9740 11 A 4.0510 8.2352 120.5833 55.4721 18.2365 179.3519 12 D 4.3299 8.4145 117.5694 57.5680 40.7797 178.5185 13 Y 3.9779 8.0907 119.9090 60.6360 38.8931 178.0007 14 L 4.2064 8.4099 121.6327 57.5661 41.5547 179.6664 15 Q 3.8425 7.8555 116.4837 58.7245 28.6402 178.5878 16 T 3.5908 7.5451 116.4651 65.7910 68.6539 175.7494 17 Y 4.2806 7.2042 114.7394 56.4928 39.3500 175.1167 18 H 2.6038 7.4165 116.4991 55.3627 26.8328 174.0051 19 K 4.5151 7.0098 114.4931 56.3293 34.7824 174.5214 20 L 4.2573 8.4920 120.0729 53.3781 42.6480 175.2895 21 P 3.7096 0.0000 0.0000 62.5407 31.6073 176.9010 22 D 4.5860 8.2834 117.8359 55.8737 40.9323 176.9297 23 N 4.5364 7.9103 116.4192 53.1623 37.9676 173.5840 24 Y 5.0399 7.5990 117.3255 56.7579 39.6139 175.1777 25 I 4.9747 8.5077 116.2961 59.1814 41.5099 175.0573 26 T 4.5937 9.2315 114.7488 61.2939 70.0784 175.3172 27 A 4.1427 9.2830 124.8020 55.7468 18.3091 180.2556 28 S 4.1744 8.1262 110.9386 61.5502 62.5846 175.9947 29 E 3.9872 8.4129 121.1527 59.3650 29.1280 179.2485 30 A 4.0351 8.5589 121.2407 55.3463 18.4492 179.7573 31 Q 4.2866 8.9613 116.8347 59.0467 28.5561 178.7518 32 A 4.1669 8.2453 120.8849 54.2307 18.4754 178.5618 33 L 4.4565 7.1211 115.0540 54.3017 42.2414 177.2472 34 G 4.1576 7.7906 107.1320 44.7323 0.0000 174.0192 35 W 4.4477 8.3781 130.4990 57.3141 31.1797 175.7797 36 V 3.8060 8.7576 124.6128 60.4261 32.2902 175.3622 37 A 3.4156 7.4876 131.3272 55.0116 18.1057 179.5914 38 S 4.4637 7.7657 107.8097 60.3759 63.2936 175.1839 39 K 4.1770 8.0915 120.2662 56.5727 32.5395 176.9657 40 G 3.0861 7.7940 107.5482 46.5620 0.0000 174.2715 41 N 5.0030 8.0640 113.7858 52.2559 38.0489 176.0275 42 L 3.8717 8.3996 122.7323 59.0267 41.4594 178.8022 43 A 4.0036 8.0389 119.6437 54.8415 18.0904 179.1470 44 D 4.3378 7.8020 117.1231 57.1225 41.0839 178.5533 45 V 4.1227 7.7605 110.2526 61.8271 33.6856 176.6151 46 A 4.6630 8.1151 121.5834 49.4463 19.5766 173.1069 47 P 4.4548 0.0000 0.0000 62.8382 32.2235 177.6064 48 G 3.8520 8.8479 110.1265 45.3914 0.0000 173.0906 49 K 4.6794 7.5468 118.4650 55.0788 34.2031 176.0862 50 S 4.6399 8.2834 117.3741 56.4235 67.4290 173.6188 51 I 4.2656 7.8899 123.1146 61.3987 37.9370 175.3872 52 G 4.2368 9.1971 112.0385 47.0573 0.0000 173.7947 53 G 4.5035 9.6952 110.3409 44.4239 0.0000 173.8709 54 D 4.7665 7.9700 119.4257 53.4755 42.6301 175.7526 55 I 4.0883 8.3731 121.4122 61.9849 37.7762 175.2780 56 F 4.8054 9.2075 129.9026 56.6917 40.1898 175.5501 57 S 4.0522 8.2796 121.6864 58.2117 63.7774 173.4442 58 N 3.4270 5.7700 118.6224 54.3971 36.8136 175.4297 59 R 3.8055 7.1953 116.6723 58.9136 30.8007 178.0959 60 E 4.2413 8.0931 114.7166 55.4912 29.8173 176.0958 61 G 3.9001 7.7069 106.7604 46.4631 0.0000 175.6438 62 K 4.0455 8.0473 120.9547 58.0009 32.5458 177.7312 63 L 3.8270 7.0948 118.0495 52.0459 42.6664 174.6757 64 P 4.3810 0.0000 0.0000 62.7222 32.0034 176.1851 65 G 4.2138 8.1809 109.9812 44.2836 0.0000 172.3785 66 K 4.3715 7.9626 117.3943 54.7544 34.8158 174.6745 67 S 4.1794 8.6357 119.5480 60.2581 62.9160 174.9095 68 G 3.8488 8.9903 112.8558 44.9824 0.0000 172.7548 69 R 4.2062 7.6597 120.5134 54.8839 31.3338 175.1766 70 T 4.7497 8.0793 114.2021 59.6657 72.7093 172.5395 71 W 5.1756 8.5379 120.4030 55.0879 33.5779 174.4248 72 R 5.3163 8.8047 119.9864 54.6881 34.6537 173.7791 73 E 5.3937 9.1652 116.9681 55.2413 33.6612 174.0950 74 A 5.0362 8.8617 120.4711 50.5928 23.0971 175.3463 75 D 5.0463 9.3158 120.8022 54.3029 41.5873 176.2132 76 I 4.4693 8.3323 122.5542 60.2563 40.6687 175.9050 77 N 4.2868 8.7471 121.2786 54.1141 36.7558 173.4140 78 Y 4.5704 7.3295 120.5603 56.5101 40.0860 175.8898 79 T 4.0555 7.4466 114.6653 62.7249 70.9336 173.5147 80 S 4.1524 6.4038 112.3704 58.2847 66.0130 174.8137 81 G 3.7614 8.4486 107.2189 45.8816 0.0000 173.3250 82 F 4.4637 8.5263 118.6738 57.1959 39.7095 175.5295 83 R 4.3495 8.7337 122.4269 56.4254 30.7613 176.4314 84 N 5.1146 8.4718 117.8194 51.9564 40.0439 175.0635 85 S 4.7074 8.5730 114.3949 58.7438 64.6376 172.6590 86 D 5.5278 8.4812 121.6089 53.2267 42.8237 175.7323 87 R 5.0531 9.1435 121.3146 54.6002 35.2224 173.7681 88 I 5.0966 8.9132 122.2169 59.4594 40.9531 174.1601 89 L 5.5463 9.2789 128.4128 53.1260 44.8377 175.1173 90 Y 5.7735 9.1750 121.4418 55.6240 41.8002 174.8984 91 S 4.3735 8.5782 117.4319 56.3205 65.2195 175.2858 92 S 3.4161 7.9740 114.8886 60.1568 62.7290 174.7897 93 D 4.4910 7.2275 119.2000 52.5529 39.2765 176.1262 94 W 3.8330 6.9932 116.8671 58.3107 27.0751 174.5312 95 L 4.4619 7.9520 118.6833 54.6831 42.0346 176.0764 96 I 5.5577 8.3983 121.5572 60.0878 41.0143 174.0570 97 Y 5.3756 9.8802 123.8690 56.0483 42.3649 174.3810 98 K 5.2686 9.2412 119.0704 55.6626 36.7052 175.0467 99 T 4.8517 8.8950 115.1073 60.4482 70.6633 174.1360 100 T 5.1845 8.7943 115.4351 60.5462 69.6103 173.5330 101 D 4.7455 7.2897 121.7150 54.1000 40.3932 174.6974 102 H 3.6669 8.5729 114.1170 58.7998 28.4739 173.8838 103 Y 3.2342 7.4013 110.8937 58.9913 36.4509 171.7059 104 Q 4.1805 7.8738 121.5488 58.3057 29.0222 176.6527 105 T 4.7043 8.2065 105.6625 59.5683 71.7909 172.8888 106 F 5.1191 8.6101 120.2778 56.0799 42.7697 174.3978 107 T 4.7000 9.0377 118.8099 61.4520 71.5249 173.2982 108 K 3.5082 8.5621 128.1746 55.9897 32.4365 176.2377 109 I 4.3101 8.6797 122.0783 61.4196 39.1975 176.5211 *110 R 4.1340 7.8417 126.0468 56.6108 29.9968 180.5561 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 A 8.26 4.28 1.25 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 2 Q 8.51 3.70 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.00 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 3 V 8.90 3.77 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 0.75 0.00 0.00 0.87 0.00 0.00 4 I 8.03 4.08 1.75 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 1.48 0.75 0.93 0.00 0.00 5 N 8.51 5.05 0.00 2.76 2.84 0.00 0.00 5.86 7.22 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 6 T 7.61 4.58 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 1.19 0.00 0.00 7 F 8.24 4.33 0.00 3.17 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.33 4.58 0.00 2.76 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 9 G 8.12 3.64 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 0.00 0.00 0.00 10 V 8.29 3.70 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 0.81 0.00 0.00 1.10 0.00 0.00 11 A 8.24 4.05 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.41 4.33 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 13 Y 8.09 3.98 0.00 3.33 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.41 4.21 0.00 1.87 1.80 0.63 0.37 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 15 Q 7.86 3.84 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.98 0.00 0.00 0.00 0.00 0.00 2.48 2.61 0.00 16 T 7.55 3.59 3.24 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 0.17 0.00 0.00 17 Y 7.20 4.28 0.00 2.48 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 18 H 7.42 2.60 0.00 3.02 3.11 0.00 5.71 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.01 4.52 0.00 2.02 1.99 0.00 1.61 0.00 0.00 1.90 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.61 1.63 7.81 20 L 8.49 4.26 0.00 1.69 1.54 0.86 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 3.71 0.00 2.21 1.15 0.00 3.57 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 2.17 1.57 0.00 22 D 8.28 4.59 0.00 2.63 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 23 N 7.91 4.54 0.00 2.75 2.88 0.00 0.00 6.16 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 24 Y 7.60 5.04 0.00 3.05 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 25 I 8.51 4.97 1.85 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.91 0.89 0.00 0.00 26 T 9.23 4.59 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 1.37 0.00 0.00 27 A 9.28 4.14 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 4.17 0.00 3.96 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 29 E 8.41 3.99 0.00 2.31 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 2.36 2.37 0.00 30 A 8.56 4.04 1.21 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 0.00 0.00 31 Q 8.96 4.29 0.00 2.20 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.50 2.70 0.00 32 A 8.25 4.17 1.39 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 0.00 0.00 33 L 7.12 4.46 0.00 1.97 1.75 0.92 0.96 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 34 G 7.79 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 35 W 8.38 4.45 0.00 3.22 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 36 V 8.76 3.81 1.99 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 0.87 0.00 0.00 0.94 0.00 0.00 37 A 7.49 3.42 0.72 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 38 S 7.77 4.46 0.00 4.03 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 39 K 8.09 4.18 0.00 1.88 1.90 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.38 7.81 40 G 7.79 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 0.00 0.00 0.00 41 N 8.06 5.00 0.00 3.01 3.02 0.00 0.00 5.73 6.67 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 42 L 8.40 3.87 0.00 1.33 1.72 0.32 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.04 4.00 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 44 D 7.80 4.34 0.00 2.82 2.74 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 45 V 7.76 4.12 2.33 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 0.85 0.00 0.00 1.09 0.00 0.00 46 A 8.12 4.66 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 47 P 0.00 4.45 0.00 2.02 2.00 0.00 3.76 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 48 G 8.85 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 49 K 7.55 4.68 0.00 1.63 1.59 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.69 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.61 1.47 7.81 50 S 8.28 4.64 0.00 2.95 3.54 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 51 I 7.89 4.27 1.84 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.11 0.88 0.00 0.00 52 G 9.20 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 0.00 0.00 0.00 0.00 53 G 9.70 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 0.00 0.00 0.00 0.00 54 D 7.97 4.77 0.00 2.72 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 55 I 8.37 4.09 1.88 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 1.22 0.48 0.90 0.00 0.00 56 F 9.21 4.81 0.00 2.95 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 57 S 8.28 4.05 0.00 3.61 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 58 N 5.77 3.43 0.00 2.50 2.49 0.00 0.00 7.18 7.65 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 59 R 7.20 3.81 0.00 1.65 1.84 0.00 3.08 0.00 0.00 3.10 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.29 0.00 60 E 8.09 4.24 0.00 1.99 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 2.25 2.29 0.00 61 G 7.71 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 0.00 0.00 0.00 62 K 8.05 4.05 0.00 1.51 1.91 0.00 1.89 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.67 7.81 63 L 7.09 3.83 0.00 0.53 0.13 -0.78 -0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.38 0.00 2.30 2.13 0.00 3.43 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.21 0.00 65 G 8.18 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 0.00 0.00 0.00 0.00 66 K 7.96 4.37 0.00 1.74 1.55 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.34 1.37 7.81 67 S 8.64 4.18 0.00 3.99 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 68 G 8.99 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 69 R 7.66 4.21 0.00 1.57 1.83 0.00 3.22 0.00 0.00 2.39 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.92 0.00 70 T 8.08 4.75 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 1.14 0.00 0.00 71 W 8.54 5.18 0.00 3.58 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 72 R 8.80 5.32 0.00 0.67 1.49 0.00 3.02 0.00 0.00 3.41 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.33 0.00 73 E 9.17 5.39 0.00 2.01 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 2.39 2.40 0.00 74 A 8.86 5.04 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.32 5.05 0.00 2.65 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.33 4.47 1.42 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 1.19 1.06 -0.29 0.00 0.00 77 N 8.75 4.29 0.00 2.82 2.91 0.00 0.00 6.84 8.27 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 78 Y 7.33 4.57 0.00 3.10 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 79 T 7.45 4.06 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 1.07 0.00 0.00 80 S 6.40 4.15 0.00 3.84 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 81 G 8.45 3.76 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 0.00 0.00 0.00 82 F 8.53 4.46 0.00 3.19 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 83 R 8.73 4.35 0.00 1.95 1.93 0.00 3.31 0.00 0.00 3.55 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.67 0.00 84 N 8.47 5.11 0.00 2.85 2.96 0.00 0.00 5.97 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 85 S 8.57 4.71 0.00 3.97 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 86 D 8.48 5.53 0.00 2.81 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 87 R 9.14 5.05 0.00 1.55 1.77 0.00 3.54 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.19 0.00 88 I 8.91 5.10 2.14 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.88 1.05 0.00 0.00 89 L 9.28 5.55 0.00 1.55 1.33 0.24 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 9.18 5.77 0.00 3.14 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 91 S 8.58 4.37 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.97 3.42 0.00 3.70 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 93 D 7.23 4.49 0.00 2.70 2.61 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 94 W 6.99 3.83 0.00 3.50 3.42 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 95 L 7.95 4.46 0.00 1.69 1.95 1.09 0.73 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 96 I 8.40 5.56 2.01 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 1.64 1.09 1.17 0.00 0.00 97 Y 9.88 5.38 0.00 2.73 2.93 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 98 K 9.24 5.27 0.00 1.12 1.55 0.00 0.61 0.00 0.00 0.64 0.00 0.00 2.55 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.18 1.01 7.81 99 T 8.89 4.85 3.57 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 0.86 0.00 0.00 100 T 8.79 5.18 4.33 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 1.33 0.00 0.00 101 D 7.29 4.75 0.00 2.82 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 0.00 102 H 8.57 3.67 0.00 3.23 3.37 0.00 5.88 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.40 3.23 0.00 3.21 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 0.00 104 Q 7.87 4.18 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 105 T 8.21 4.70 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 0.00 106 F 8.61 5.12 0.00 2.97 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 0.00 107 T 9.04 4.70 4.15 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 1.14 0.00 0.00 108 K 8.56 3.51 0.00 0.79 1.39 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.17 0.92 7.81 109 I 8.68 4.31 1.85 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 1.10 0.90 0.80 0.00 0.00 *110 R 7.84 4.13 0.00 1.68 1.84 0.00 3.35 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.82 0.00 * Residues marked with a * may have inaccurate shift predictions.