NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 I 4.1809 8.0249 121.4560 61.5443 37.3767 175.3087 5 H 4.5246 8.8683 123.4195 56.0380 28.7137 174.3192 6 Q 4.6404 8.6259 114.9283 55.4151 32.6377 172.0565 7 I 4.5647 8.3683 120.6882 59.8981 39.1678 175.1174 8 T 4.6699 8.7994 118.5742 59.1175 71.2941 172.6056 9 P 4.7847 0.0000 0.0000 62.5399 32.9201 175.2714 10 F 4.8086 9.3552 124.8367 56.6616 41.6454 173.8128 11 L 4.5782 8.9175 126.7732 54.0795 43.6980 175.9685 12 H 5.3307 8.8939 119.2142 54.2700 30.7128 173.2023 13 I 4.7263 8.3743 117.5067 58.1633 40.4079 175.3111 14 P 4.3228 0.0000 0.0000 64.6876 31.7919 175.1107 15 D 4.6253 7.4904 116.4965 52.6611 44.8431 174.6160 *17 Q 4.2205 8.5332 118.7108 56.2139 30.8483 177.0660 18 E 3.9412 8.6729 117.1728 59.2443 29.3466 179.1587 19 A 3.9766 8.2232 120.9761 55.2630 18.4077 179.7585 20 L 4.0141 7.8862 116.9808 58.1243 41.5912 179.6391 21 T 4.5589 7.9320 117.2803 66.0980 68.2351 176.2115 22 L 3.8505 7.7820 122.2580 58.0428 42.1975 178.9272 23 F 4.2818 8.0327 117.5536 60.6858 38.9155 177.2299 24 C 5.1354 8.4593 117.8936 62.1320 28.4309 175.9614 25 D 4.4257 8.0052 119.7990 57.0010 40.3088 178.4923 26 T 4.1355 7.5193 115.0021 65.3462 69.4451 176.4438 27 L 4.5011 8.1800 117.8860 54.5038 42.2230 177.7959 28 G 3.9435 7.8880 106.8132 45.0797 0.0000 173.8289 29 F 4.2198 8.8246 119.1432 57.3672 40.4765 173.6893 30 E 4.8498 9.1413 123.3562 54.2941 31.7407 174.5871 31 L 4.3699 8.5785 129.4021 55.2843 42.1022 176.0092 32 K 4.4550 8.7841 126.4936 58.4117 33.1989 176.7030 33 Y 5.1899 7.8158 119.0676 56.3171 42.7648 173.6390 34 R 4.6221 7.6211 123.4579 55.3959 33.6301 173.7812 35 H 4.7596 8.5463 125.2879 55.5695 33.9435 173.0484 36 S 3.5191 8.3643 122.4636 59.8649 62.9372 172.3259 37 N 4.8149 8.8060 114.7852 52.4197 37.4271 172.5514 38 Y 5.2410 7.9293 119.8246 56.4586 41.6611 174.3171 39 A 4.6460 7.9431 126.1015 50.1994 23.4721 174.2945 40 Y 4.8170 8.7069 122.0015 55.8062 41.5635 174.5252 41 L 5.0749 8.4515 126.2487 52.9383 46.0115 175.3696 42 E 5.0452 8.9108 118.9689 54.7164 34.3065 174.4272 43 L 4.0418 8.6428 126.2122 53.0696 43.9516 176.4273 44 S 3.8156 9.7385 124.5151 59.4328 60.5728 173.1824 45 G 4.0670 8.3931 108.3845 45.2174 0.0000 174.1814 46 C 4.3618 8.0803 118.5790 59.3029 28.9879 173.9844 47 G 4.1158 9.0568 111.8667 46.1050 0.0000 172.8631 48 L 4.6223 8.4872 123.4561 53.4434 45.8849 174.7662 49 R 4.7354 8.4232 125.0354 54.3620 32.7683 175.1861 50 L 5.2401 8.4139 121.9621 52.8735 46.1927 175.3711 51 L 5.1513 8.7287 123.7721 53.3235 45.3806 174.7478 52 E 4.6802 9.1376 128.6716 56.1787 30.1997 176.4149 53 E 4.6323 9.5311 126.7140 53.0286 30.7497 174.8870 54 P 4.4590 0.0000 0.0000 63.4835 32.3841 176.1997 *64 A 4.2042 7.6671 120.6553 51.9349 19.6882 175.7484 65 R 4.7203 8.2792 116.2210 54.1605 33.9420 174.1904 66 V 4.4487 8.2420 119.3376 62.8024 31.6169 175.2123 67 A 5.0287 9.1845 129.1608 51.4314 21.3529 175.9924 68 I 5.1705 7.6903 115.4471 59.7734 42.1237 174.0304 69 C 5.1696 9.2527 123.1443 58.1050 31.8358 172.9721 70 I 4.7238 8.8631 126.3185 59.5760 38.7490 174.7118 71 D 5.0897 8.6677 128.5323 54.1457 41.8464 176.4075 72 V 4.6886 8.6680 115.8520 59.9375 36.2922 174.4512 73 S 4.6246 8.4470 115.6222 57.5642 64.5690 173.0266 74 D 4.3188 8.5400 121.7291 55.2510 38.8612 173.9014 75 I 3.8980 7.4244 120.4302 63.3032 38.5509 176.5721 76 D 4.3526 8.0549 120.0986 57.4303 40.8110 178.5032 77 S 4.1334 8.3524 114.8945 61.1876 62.9925 176.3575 78 L 3.9043 7.6891 123.8188 58.2314 41.9110 178.3749 79 H 3.6422 8.5341 118.6000 59.3675 29.4442 177.4162 80 T 3.7813 7.7410 116.7345 66.3720 68.3629 176.2184 81 K 3.9942 7.7863 120.4128 59.4265 32.5077 178.2649 82 L 4.1987 7.9215 117.9665 56.0023 41.7304 178.9783 83 S 3.9138 7.6531 116.2045 61.4004 62.5799 174.9150 84 P 4.2036 0.0000 0.0000 65.6590 31.3713 178.2323 85 A 4.1463 7.8623 118.9975 55.0103 18.5250 179.5214 86 L 4.0553 8.1290 117.4702 57.6632 41.4165 179.2939 87 E 4.1314 8.0561 117.5767 58.3795 29.4633 177.8232 88 N 4.6795 7.7013 114.7284 52.5398 39.3689 175.1694 89 L 4.3808 6.8860 120.4308 52.9725 42.9499 175.0419 90 P 4.2741 0.0000 0.0000 62.7092 31.8538 177.3515 91 A 4.0638 8.8401 125.4374 55.4340 18.2567 178.0141 92 D 4.8385 8.1130 112.0653 54.1099 39.8829 176.4131 93 Q 4.6788 8.5853 118.7870 55.6506 30.2175 175.1215 94 V 5.3627 7.9171 117.4914 60.5924 34.5289 173.6088 95 E 5.0289 9.7339 122.5551 53.9221 33.0990 174.0165 96 P 4.7852 0.0000 0.0000 61.9167 32.9773 175.7589 97 L 4.4374 8.1215 120.2658 55.3525 42.3350 177.2424 98 K 4.6082 9.0190 122.0405 55.0776 36.8825 176.1148 99 N 4.7415 8.6124 122.1651 52.3882 39.6395 173.1396 *101 P 4.3429 0.0000 0.0000 62.8524 33.1864 177.8855 102 Y 4.4254 7.0587 113.8756 56.9986 38.0816 175.7596 103 G 3.7937 7.9114 106.4365 46.1108 0.0000 173.1366 104 Q 4.9318 7.4006 116.0966 53.6671 32.6328 174.5400 105 R 4.8131 9.1643 123.2304 54.9378 32.5340 174.7403 106 E 5.4055 8.7013 122.3141 55.7998 33.6498 173.5958 107 F 5.4295 8.7458 113.8627 55.5765 41.9292 173.4174 108 Q 5.4637 8.8338 117.5567 54.4134 32.9543 174.7346 109 V 5.0335 8.9385 120.5849 61.6254 35.3090 175.4837 110 R 3.0619 7.9976 128.3805 54.6445 31.2922 173.5723 *112 P 4.3720 0.0000 0.0000 62.4464 33.0336 177.2645 113 D 4.4996 7.9902 114.8070 53.4496 39.8193 176.9110 114 G 3.8727 8.1659 108.6909 45.3202 0.0000 173.3949 115 D 4.8913 8.0282 119.1752 53.5590 42.4996 175.5771 116 W 4.8578 9.4165 119.2957 55.0858 32.5222 175.0737 117 L 5.1444 9.1650 123.9399 53.4712 44.4897 174.7522 118 N 5.4962 9.2092 123.2627 51.5387 41.6497 173.4926 119 F 4.8774 8.4357 121.2679 55.9061 41.8570 174.5449 120 T 5.1769 9.0545 116.9119 60.8960 71.2507 172.1804 121 A 5.0689 9.0929 128.6317 49.4106 22.9815 173.9171 122 P 4.7922 0.0000 0.0000 62.4453 32.3411 176.2803 123 L 4.0812 8.2186 121.8210 54.7173 41.6732 177.6890 124 A 4.6440 8.5085 131.1987 51.6035 18.0397 177.2509 125 E 4.2427 8.6618 115.8191 59.0118 30.0020 177.9638 126 G 3.9046 9.0847 108.2372 45.8067 0.0000 172.7146 127 H 4.9100 7.2667 114.8823 53.4938 32.4878 172.6692 128 H 4.3147 8.7047 121.2657 56.3882 30.2203 174.1519 129 H 4.8464 8.5065 123.7752 54.3144 30.3718 173.9019 130 H 4.5466 8.7180 121.8976 55.0851 29.8238 175.0220 131 H 4.4209 8.5504 117.7212 55.6283 28.6031 174.5298 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 4 I 8.02 4.18 1.92 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.12 0.98 0.00 0.00 5 H 8.87 4.52 0.00 3.19 3.33 0.00 5.70 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 6 Q 8.63 4.64 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 7 I 8.37 4.56 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.67 0.89 0.00 0.00 8 T 8.80 4.67 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 9 P 0.00 4.78 0.00 2.05 2.01 0.00 3.49 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 10 F 9.36 4.81 0.00 3.04 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 11 L 8.92 4.58 0.00 1.63 1.60 0.81 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.89 5.33 0.00 2.95 3.39 0.00 5.84 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.37 4.73 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.86 0.99 0.00 0.00 14 P 0.00 4.32 0.00 2.24 2.35 0.00 3.82 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 2.07 1.91 0.00 15 D 7.49 4.63 0.00 2.61 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 *17 Q 8.53 4.22 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.68 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 18 E 8.67 3.94 0.00 2.17 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 2.31 2.69 0.00 19 A 8.22 3.98 1.45 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 20 L 7.89 4.01 0.00 1.84 1.74 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.93 4.56 4.40 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 1.18 0.00 0.00 22 L 7.78 3.85 0.00 1.54 1.34 0.72 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 23 F 8.03 4.28 0.00 3.06 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 24 C 8.46 5.14 0.00 3.18 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 25 D 8.01 4.43 0.00 2.89 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 26 T 7.52 4.14 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 1.18 0.00 0.00 27 L 8.18 4.50 0.00 2.16 1.97 0.99 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 28 G 7.89 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 0.00 0.00 0.00 0.00 29 F 8.82 4.22 0.00 3.09 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 30 E 9.14 4.85 0.00 1.98 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 2.22 2.23 0.00 31 L 8.58 4.37 0.00 1.67 1.58 0.88 0.62 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 32 K 8.78 4.45 0.00 1.98 2.05 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.55 7.81 33 Y 7.82 5.19 0.00 3.09 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 34 R 7.62 4.62 0.00 1.67 1.60 0.00 3.18 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.60 0.00 35 H 8.55 4.76 0.00 3.12 3.00 0.00 5.99 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.36 3.52 0.00 4.07 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 37 N 8.81 4.81 0.00 2.91 3.03 0.00 0.00 5.42 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 38 Y 7.93 5.24 0.00 3.05 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 39 A 7.94 4.65 0.94 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 0.00 0.00 40 Y 8.71 4.82 0.00 3.02 2.92 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 41 L 8.45 5.07 0.00 1.29 1.59 0.54 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.91 5.05 0.00 1.76 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 2.22 1.86 0.00 43 L 8.64 4.04 0.00 0.27 0.92 0.46 0.34 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 44 S 9.74 3.82 0.00 3.91 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 45 G 8.39 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 46 C 8.08 4.36 0.00 2.96 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 47 G 9.06 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 0.00 0.00 0.00 48 L 8.49 4.62 0.00 1.54 1.06 0.59 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.42 4.74 0.00 0.89 0.66 0.00 2.79 0.00 0.00 2.45 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 50 L 8.41 5.24 0.00 1.29 1.40 0.79 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.73 5.15 0.00 1.91 1.35 1.01 0.87 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 52 E 9.14 4.68 0.00 2.00 1.84 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 2.31 2.29 0.00 53 E 9.53 4.63 0.00 1.88 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 2.23 2.47 0.00 54 P 0.00 4.46 0.00 2.03 2.14 0.00 3.76 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.21 0.00 *64 A 7.67 4.20 1.63 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 0.00 0.00 65 R 8.28 4.72 0.00 1.54 1.82 0.00 2.57 0.00 0.00 2.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.38 0.00 66 V 8.24 4.45 1.83 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 0.94 0.00 0.00 0.99 0.00 0.00 67 A 9.18 5.03 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 68 I 7.69 5.17 1.85 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 1.36 0.69 0.85 0.00 0.00 69 C 9.25 5.17 0.00 2.81 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 70 I 8.86 4.72 1.23 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.44 0.91 0.00 0.00 71 D 8.67 5.09 0.00 2.67 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 72 V 8.67 4.69 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 0.78 0.00 0.00 1.03 0.00 0.00 73 S 8.45 4.62 0.00 3.87 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 74 D 8.54 4.32 0.00 2.83 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 75 I 7.42 3.90 1.97 0.00 0.00 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 1.97 1.66 0.99 0.00 0.00 76 D 8.05 4.35 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 77 S 8.35 4.13 0.00 4.06 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 78 L 7.69 3.90 0.00 1.79 1.91 0.89 0.83 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 79 H 8.53 3.64 0.00 2.99 3.26 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 T 7.74 3.78 4.35 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 1.17 0.00 0.00 81 K 7.79 3.99 0.00 1.82 1.98 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.47 7.81 82 L 7.92 4.20 0.00 1.55 1.60 0.75 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 83 S 7.65 3.91 0.00 3.94 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 84 P 0.00 4.20 0.00 1.99 2.09 0.00 3.69 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 1.99 2.12 0.00 85 A 7.86 4.15 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 86 L 8.13 4.06 0.00 1.76 1.72 0.64 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.06 4.13 0.00 2.12 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 2.33 2.61 0.00 88 N 7.70 4.68 0.00 2.87 2.85 0.00 0.00 7.00 7.90 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 89 L 6.89 4.38 0.00 1.79 1.60 0.98 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 90 P 0.00 4.27 0.00 2.17 1.99 0.00 3.72 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 2.10 2.09 0.00 91 A 8.84 4.06 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 92 D 8.11 4.84 0.00 2.91 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 93 Q 8.59 4.68 0.00 2.11 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.75 0.00 0.00 0.00 0.00 0.00 2.05 2.22 0.00 94 V 7.92 5.36 2.21 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 0.77 0.00 0.00 1.14 0.00 0.00 95 E 9.73 5.03 0.00 2.04 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 2.17 2.30 0.00 96 P 0.00 4.79 0.00 2.05 2.06 0.00 3.81 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 1.99 2.00 0.00 97 L 8.12 4.44 0.00 1.44 1.62 0.75 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 98 K 9.02 4.61 0.00 1.64 1.60 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.65 7.81 99 N 8.61 4.74 0.00 2.55 2.68 0.00 0.00 7.05 8.02 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 *101 P 0.00 4.34 0.00 2.26 2.15 0.00 3.32 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 102 Y 7.06 4.43 0.00 2.96 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 0.00 103 G 7.91 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 0.00 0.00 0.00 104 Q 7.40 4.93 0.00 1.86 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.66 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 105 R 9.16 4.81 0.00 1.79 1.76 0.00 3.11 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 106 E 8.70 5.41 0.00 2.38 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 0.00 2.21 2.30 0.00 107 F 8.75 5.43 0.00 3.37 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 0.00 108 Q 8.83 5.46 0.00 2.31 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.50 2.33 0.00 109 V 8.94 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 1.00 0.00 0.00 1.29 0.00 0.00 110 R 8.00 3.06 0.00 0.67 1.13 0.00 2.87 0.00 0.00 2.91 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.50 0.00 *112 P 0.00 4.37 0.00 2.07 2.10 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.04 0.00 113 D 7.99 4.50 0.00 2.76 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 0.00 114 G 8.17 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 0.00 0.00 0.00 115 D 8.03 4.89 0.00 2.72 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 W 9.42 4.86 0.00 3.21 3.16 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 0.00 117 L 9.16 5.14 0.00 1.62 1.61 0.80 0.02 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 0.00 118 N 9.21 5.50 0.00 2.90 2.69 0.00 0.00 6.59 7.96 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 0.00 119 F 8.44 4.88 0.00 1.95 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.05 5.18 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 1.27 0.00 0.00 121 A 9.09 5.07 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 0.00 122 P 0.00 4.79 0.00 2.08 2.03 0.00 3.79 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 123 L 8.22 4.08 0.00 1.52 1.48 0.72 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 124 A 8.51 4.64 1.23 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 0.00 125 E 8.66 4.24 0.00 2.11 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 2.27 0.00 126 G 9.08 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 0.00 127 H 7.27 4.91 0.00 2.96 3.11 0.00 5.86 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 0.00 128 H 8.70 4.31 0.00 3.01 3.20 0.00 5.89 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 H 8.51 4.85 0.00 3.12 3.17 0.00 5.94 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 H 8.72 4.55 0.00 2.94 3.14 0.00 5.87 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 H 8.55 4.42 0.00 3.23 3.24 0.00 5.56 0.00 0.00 0.00 0.00 6.91 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.