NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 H 4.7304 8.3033 120.3914 55.9009 31.4395 174.0326 5 E 3.7225 8.0776 125.9003 58.6374 29.5475 177.6444 6 L 3.7751 7.8377 119.8846 58.4955 42.6199 178.1729 7 K 3.9620 8.0782 118.2511 60.1106 32.3194 177.7831 8 E 4.1548 9.1098 118.6680 59.2879 29.3772 179.6224 9 A 3.9577 8.0166 120.7830 55.1995 18.5058 179.2875 10 L 3.8905 7.8635 117.5973 58.2327 41.7093 179.5325 11 E 3.9209 8.1492 118.7201 59.5685 29.5119 178.7828 12 T 3.8566 7.9493 115.6426 66.7498 68.5525 176.3339 13 L 4.2211 7.9712 121.8932 57.2726 41.5033 179.4151 14 K 3.8772 8.1060 118.3125 59.4815 32.3694 178.0061 15 E 4.1833 8.0735 119.1111 59.1550 29.6809 178.2697 16 T 4.1687 8.4293 107.4944 62.7228 68.2387 175.1881 17 G 4.0023 7.8923 109.1656 45.7253 0.0000 173.2629 18 V 4.2288 7.9176 119.2659 60.5745 32.7592 175.9270 19 R 4.0912 8.4733 127.0896 56.6105 30.5900 176.7030 20 I 4.3281 7.9813 125.9732 60.2778 36.4494 175.9948 21 T 4.3622 7.7587 115.2773 60.0309 71.6104 173.5848 22 P 4.3389 0.0000 0.0000 66.1735 31.3220 178.7557 23 Q 3.0527 7.8967 117.4687 58.8269 28.9925 177.8835 24 R 4.1120 7.8725 119.2174 59.9008 30.1341 178.5190 25 H 4.1491 8.2127 117.1521 59.0004 29.8936 176.9466 26 A 4.1003 8.6102 122.9948 55.5300 18.2014 179.6383 27 I 3.7076 8.0380 118.4102 64.6400 37.0945 178.7715 28 L 3.7493 8.1161 119.8112 57.6197 41.2309 179.1927 29 E 3.7467 8.5177 119.7569 58.9374 29.5947 178.3853 30 Y 3.8110 7.9363 119.8446 60.6251 38.7207 177.1012 31 L 3.9494 7.9661 118.7275 58.1484 41.8665 178.7796 32 V 3.1525 7.0503 117.5894 65.6078 31.4222 176.7415 33 N 4.4845 7.2490 114.7074 53.6231 39.0460 175.2435 34 S 4.1869 7.2705 113.2154 57.7495 62.9959 173.5197 35 M 4.4613 8.3977 122.1792 55.2911 33.7213 175.6596 36 A 4.4279 7.5756 121.7949 52.0905 18.9324 178.4979 *38 P 4.4026 0.0000 0.0000 63.9939 33.8101 175.6442 39 T 5.0183 8.4509 109.9915 60.1843 71.2306 175.8156 40 A 3.7673 8.5621 122.9358 55.2148 18.1608 179.4989 41 D 4.4179 8.0656 117.0183 57.5483 40.7387 178.6045 42 D 4.3880 7.7583 119.2853 57.4469 40.5188 178.9072 43 I 2.9131 7.4196 119.7939 63.9012 37.0863 177.6190 44 Y 3.8879 8.4219 120.7206 60.8346 38.3785 178.5111 45 K 3.8861 8.4421 117.8445 59.4631 32.1790 178.8825 46 A 4.1580 7.5804 120.2214 54.1508 18.7090 178.6558 47 L 4.5804 7.4071 115.4716 55.0833 43.0755 178.4684 48 E 4.0390 7.9626 118.1519 58.7223 29.2973 178.9507 49 G 3.7012 8.0075 105.4573 46.1702 0.0000 174.3570 50 K 4.5283 7.8238 118.7556 55.6426 33.7193 175.9624 51 F 4.7122 7.5667 117.8922 55.1841 41.2469 172.9747 52 P 4.4268 0.0000 0.0000 65.4636 31.4644 177.7685 53 N 4.7938 8.1562 113.3033 53.4816 38.4065 173.9480 54 M 4.4054 7.6837 119.4883 54.4864 33.4131 176.0931 55 S 5.0341 8.3073 120.0521 56.0216 67.4905 174.8280 56 V 3.4686 8.0713 121.1940 66.3956 30.8730 178.0661 57 A 4.0937 7.9520 119.7740 55.5463 18.3237 179.6439 58 T 3.7853 7.6509 113.4652 66.6046 68.4535 176.8470 59 V 3.3588 7.5673 119.7076 66.4174 31.4349 177.3814 60 Y 3.9324 8.0447 116.0466 61.3959 37.9397 178.8041 61 N 4.3348 8.7256 117.3538 56.4172 38.5333 177.3241 62 N 3.9193 8.4457 118.2003 55.9628 38.4961 177.2008 63 L 3.7569 7.5936 120.5416 57.7954 41.5504 179.4271 64 R 3.8856 7.8337 118.2934 59.6314 29.8954 178.1437 65 V 3.5309 7.3194 117.1877 66.6109 31.3222 177.9869 66 F 4.4949 8.0303 117.1246 60.6813 38.8186 177.7938 67 R 4.5680 8.2515 119.9767 58.9720 29.7056 178.4290 68 E 4.0874 8.3813 117.8206 59.2385 29.5546 178.8226 69 S 4.4536 8.2814 113.6349 59.1468 63.0044 174.9501 70 G 3.9234 7.9436 109.5966 45.7482 0.0000 174.1082 71 L 4.4547 8.4395 121.5515 54.4019 44.5330 176.6923 72 V 4.9644 7.7599 117.3305 60.9191 35.5789 174.2121 73 K 4.8481 8.9299 125.9303 54.8793 34.1079 174.9825 74 E 4.6161 8.8929 126.4124 55.3099 30.7538 175.0075 75 L 4.8105 8.5046 127.6510 53.3537 43.7864 175.7270 76 T 4.9787 8.1218 112.9210 60.3929 72.0528 172.9195 77 Y 4.4015 8.7591 120.1773 58.1721 42.5797 174.2620 78 G 3.4625 7.4929 116.2101 47.2608 0.0000 175.2851 79 D 4.7893 8.4452 114.5745 52.5348 40.1241 174.9843 80 A 4.9037 8.0245 122.8616 49.7331 22.2738 177.1007 81 S 4.3697 8.4749 116.2632 58.2899 63.6132 174.7383 82 S 4.3501 8.6610 119.4550 59.6211 63.2872 174.0484 83 R 4.7826 8.4706 121.0651 54.5284 33.2465 175.0317 84 F 5.1904 8.7807 119.6350 55.8568 41.8965 174.1776 85 D 4.8532 9.0179 124.2513 52.5714 42.6650 175.0376 86 F 4.8199 8.9428 129.5810 57.6656 39.9472 175.0995 87 V 3.6689 8.1073 127.7114 63.1099 32.0853 175.2899 88 T 4.3972 8.0748 123.7363 61.3942 70.4359 174.6304 89 S 4.1857 8.3528 122.4059 58.7676 63.6684 174.1894 90 D 4.8853 7.9031 122.7415 52.5685 43.3001 174.9747 *92 Y 4.5799 8.2512 115.6406 58.4201 40.0591 174.1774 *94 A 4.5764 8.1559 120.8275 52.1858 20.4883 175.4771 95 I 4.8352 8.4921 124.1902 59.8024 39.7896 174.5058 96 C 4.8461 9.1997 128.3142 58.8414 32.2182 173.9799 97 E 4.2300 9.2123 125.7998 58.4063 29.1988 177.6018 98 N 4.6749 8.3558 116.2237 54.6571 39.6660 175.5572 99 C 4.5635 8.2121 108.5761 57.4718 30.7610 174.5945 100 G 3.9695 8.3358 109.3800 44.8360 0.0000 173.8632 101 K 4.0456 7.8495 121.1066 57.1343 33.4094 175.2603 102 I 5.0819 8.2904 125.7020 59.5093 40.2919 174.7315 103 V 4.4418 8.4620 127.0680 60.7865 33.3591 175.0387 104 D 4.9503 8.9511 128.3956 54.6662 41.4511 175.3951 105 F 5.1471 8.4000 116.4279 55.6721 41.7329 173.0389 106 H 4.9015 8.9691 118.0362 54.5739 31.2882 173.0796 107 Y 4.3488 7.1903 125.6459 54.9913 42.0157 173.6069 108 P 4.3074 0.0000 0.0000 62.2169 30.9170 176.9139 109 G 4.2154 8.2340 102.9708 46.8909 0.0000 172.8419 110 L 4.9865 8.1551 116.5904 52.5322 42.8200 177.6236 111 D 4.4435 8.3922 122.9813 56.9169 39.4933 178.3465 112 E 3.8980 8.1600 120.3981 58.8050 29.7824 178.6255 113 V 3.6050 7.8081 117.7014 66.0336 31.5635 177.6293 114 E 3.9532 8.1556 118.1304 59.6216 29.2741 179.4162 115 Q 4.0337 8.1949 118.0293 58.6954 28.7663 178.5499 116 L 3.9103 8.0816 121.0878 58.1603 42.2223 178.5028 117 A 3.9193 8.3803 120.9594 55.5804 18.3595 179.5643 118 A 4.2457 8.1344 118.8248 55.4592 18.1551 179.2771 119 H 4.1623 7.8733 115.9162 59.7189 30.1563 177.7531 120 V 3.6555 8.2507 114.1282 63.9612 31.5062 178.0328 121 T 4.3122 8.5076 108.3771 61.6656 69.3794 176.0634 122 G 4.0271 8.0290 108.8411 45.1092 0.0000 173.6548 123 F 4.1931 7.8400 118.3872 56.8814 39.5298 175.2778 124 K 4.2677 8.3490 125.4019 55.2135 31.8764 176.4486 125 V 3.9651 8.2875 126.9285 62.7402 32.3765 175.0777 126 S 4.4923 8.5775 121.8228 59.2492 63.0801 173.1561 127 H 4.7339 7.3074 111.3797 55.5810 30.3556 171.6426 128 H 4.9202 9.0611 114.2903 53.9699 31.5016 171.9155 129 R 4.4496 8.2338 119.1766 54.4007 32.8856 173.6698 130 L 4.7849 8.2209 127.1360 53.1924 45.3234 174.3817 131 E 4.6248 8.7965 124.8110 54.5249 32.1250 175.1251 132 I 4.3418 8.1005 124.9965 59.7388 39.6505 174.2058 133 Y 4.7911 8.3217 124.7960 56.8735 39.5631 176.1834 134 G 4.1176 8.1308 108.3846 46.7872 0.0000 172.4421 135 V 4.7086 8.4712 122.2899 60.4134 34.7646 176.2660 136 C 4.4969 8.4477 122.2787 57.0786 32.3049 174.2994 137 Q 3.9086 8.5199 120.7869 59.5299 28.3115 177.9594 138 E 3.9559 8.2378 118.8005 60.0531 29.3528 179.1966 139 C 4.2258 7.9671 113.9736 62.1813 28.2351 175.3767 140 S 4.3187 7.9290 114.8596 60.3766 62.0497 176.1279 141 K 3.9460 8.1128 122.6770 59.4222 31.8394 178.5268 142 K 3.8510 7.4650 118.5713 59.0678 32.0015 177.1516 143 E 4.4384 7.6574 114.2703 55.3598 30.6674 175.3882 144 N 4.6563 7.8590 122.2785 53.7375 40.6411 173.5031 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 H 8.30 4.73 0.00 3.17 3.24 0.00 5.64 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.08 3.72 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 2.41 2.37 0.00 6 L 7.84 3.78 0.00 1.65 1.70 0.71 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.08 3.96 0.00 1.93 2.05 0.00 1.80 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.61 7.81 8 E 9.11 4.15 0.00 2.19 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 2.34 2.51 0.00 9 A 8.02 3.96 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.86 3.89 0.00 1.96 1.79 0.99 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.15 3.92 0.00 2.18 2.14 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 2.31 2.37 0.00 12 T 7.95 3.86 4.48 0.00 0.00 0.00 0.00 0.00 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 13 L 7.97 4.22 0.00 1.87 1.79 1.08 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.11 3.88 0.00 1.82 2.00 0.00 1.70 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.52 7.81 15 E 8.07 4.18 0.00 2.15 2.09 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 2.30 2.32 0.00 16 T 8.43 4.17 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 1.29 0.00 0.00 17 G 7.89 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 0.00 0.00 0.00 18 V 7.92 4.23 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 0.85 0.00 0.00 1.04 0.00 0.00 19 R 8.47 4.09 0.00 1.83 1.83 0.00 3.28 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 20 I 7.98 4.33 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.91 0.98 0.00 0.00 21 T 7.76 4.36 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 1.22 0.00 0.00 22 P 0.00 4.34 0.00 2.47 2.40 0.00 3.68 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 23 Q 7.90 3.05 0.00 1.34 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.83 0.00 0.00 0.00 0.00 0.00 2.15 1.90 0.00 24 R 7.87 4.11 0.00 2.22 2.23 0.00 3.21 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.63 0.00 25 H 8.21 4.15 0.00 3.36 3.53 0.00 5.60 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.61 4.10 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 27 I 8.04 3.71 2.09 0.00 0.00 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 1.41 0.75 1.01 0.00 0.00 28 L 8.12 3.75 0.00 1.75 1.45 0.65 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.52 3.75 0.00 1.91 2.17 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 2.29 2.39 0.00 30 Y 7.94 3.81 0.00 3.23 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 31 L 7.97 3.95 0.00 1.59 1.51 1.07 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 32 V 7.05 3.15 1.74 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 0.57 0.00 0.00 0.18 0.00 0.00 33 N 7.25 4.48 0.00 2.51 2.67 0.00 0.00 6.97 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 34 S 7.27 4.19 0.00 3.29 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 35 M 8.40 4.46 0.00 2.11 2.12 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 2.45 2.40 0.00 36 A 7.58 4.43 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 *38 P 0.00 4.40 0.00 2.33 2.49 0.00 4.05 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 39 T 8.45 5.02 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 1.30 0.00 0.00 40 A 8.56 3.77 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.07 4.42 0.00 2.81 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 42 D 7.76 4.39 0.00 2.96 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 43 I 7.42 2.91 1.76 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.56 0.57 0.00 0.00 44 Y 8.42 3.89 0.00 2.90 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 45 K 8.44 3.89 0.00 1.88 1.89 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.61 1.84 7.81 46 A 7.58 4.16 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 47 L 7.41 4.58 0.00 1.60 1.81 0.87 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 48 E 7.96 4.04 0.00 1.82 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 1.47 2.01 0.00 49 G 8.01 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.82 4.53 0.00 1.43 1.72 0.00 1.35 0.00 0.00 1.57 0.00 0.00 3.09 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.31 1.75 7.81 51 F 7.57 4.71 0.00 2.97 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 52 P 0.00 4.43 0.00 2.20 2.10 0.00 3.65 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 53 N 8.16 4.79 0.00 2.77 2.86 0.00 0.00 6.79 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 54 M 7.68 4.41 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.59 0.00 55 S 8.31 5.03 0.00 4.04 3.96 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 56 V 8.07 3.47 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 1.26 0.00 0.00 0.38 0.00 0.00 57 A 7.95 4.09 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 58 T 7.65 3.79 4.32 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 1.38 0.00 0.00 59 V 7.57 3.36 2.08 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 0.85 0.00 0.00 0.94 0.00 0.00 60 Y 8.04 3.93 0.00 3.32 2.95 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 0.00 0.00 0.00 61 N 8.73 4.33 0.00 2.84 2.81 0.00 0.00 7.11 7.47 0.00 0.00 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 N 8.45 3.92 0.00 2.58 2.12 0.00 0.00 7.00 6.75 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 63 L 7.59 3.76 0.00 1.39 1.13 -0.47 0.63 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 64 R 7.83 3.89 0.00 1.93 2.09 0.00 3.14 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 65 V 7.32 3.53 1.90 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 1.07 0.00 0.00 0.86 0.00 0.00 66 F 8.03 4.49 0.00 3.23 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 67 R 8.25 4.57 0.00 2.13 2.20 0.00 3.22 0.00 0.00 3.40 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.84 0.00 68 E 8.38 4.09 0.00 2.16 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 2.37 2.49 0.00 69 S 8.28 4.45 0.00 4.07 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 70 G 7.94 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 0.00 0.00 0.00 71 L 8.44 4.45 0.00 1.77 1.63 0.80 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 72 V 7.76 4.96 2.32 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 1.37 0.00 0.00 1.18 0.00 0.00 73 K 8.93 4.85 0.00 1.74 1.74 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.53 7.81 74 E 8.89 4.62 0.00 2.18 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 2.14 1.84 0.00 75 L 8.50 4.81 0.00 1.66 1.52 0.92 0.50 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 76 T 8.12 4.98 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 1.20 0.00 0.00 77 Y 8.76 4.40 0.00 3.04 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 78 G 7.49 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.45 4.79 0.00 2.65 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 80 A 8.02 4.90 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 81 S 8.47 4.37 0.00 3.97 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 82 S 8.66 4.35 0.00 3.76 3.32 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 83 R 8.47 4.78 0.00 1.68 1.77 0.00 3.04 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 84 F 8.78 5.19 0.00 2.94 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 85 D 9.02 4.85 0.00 2.86 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 86 F 8.94 4.82 0.00 3.09 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 87 V 8.11 3.67 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 0.68 0.00 0.00 0.94 0.00 0.00 88 T 8.07 4.40 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 0.84 0.00 0.00 89 S 8.35 4.19 0.00 3.77 3.73 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 90 D 7.90 4.89 0.00 2.43 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 0.00 0.00 0.00 0.00 *92 Y 8.25 4.58 0.00 1.99 1.71 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 *94 A 8.16 4.58 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 95 I 8.49 4.84 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.70 1.04 0.00 0.00 96 C 9.20 4.85 0.00 2.98 2.97 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 97 E 9.21 4.23 0.00 2.05 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 2.44 0.00 98 N 8.36 4.67 0.00 2.70 2.86 0.00 0.00 6.80 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 99 C 8.21 4.56 0.00 3.06 3.02 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 0.00 100 G 8.34 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 0.00 0.00 0.00 101 K 7.85 4.05 0.00 1.87 1.72 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.51 7.81 102 I 8.29 5.08 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.99 0.93 0.00 0.00 103 V 8.46 4.44 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 0.86 0.00 0.00 0.96 0.00 0.00 104 D 8.95 4.95 0.00 2.65 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.40 5.15 0.00 3.04 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 0.00 106 H 8.97 4.90 0.00 3.12 3.28 0.00 5.87 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 7.19 4.35 0.00 2.36 1.43 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.31 0.00 2.02 1.90 0.00 2.20 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.53 0.00 109 G 8.23 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 0.00 110 L 8.16 4.99 0.00 1.58 1.57 0.84 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 111 D 8.39 4.44 0.00 2.97 3.01 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 0.00 112 E 8.16 3.90 0.00 2.08 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 0.00 113 V 7.81 3.60 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 0.97 0.00 0.00 0.93 0.00 0.00 114 E 8.16 3.95 0.00 2.27 2.02 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 2.36 2.63 0.00 115 Q 8.19 4.03 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 116 L 8.08 3.91 0.00 1.78 1.67 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 117 A 8.38 3.92 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 0.00 118 A 8.13 4.25 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.87 4.16 0.00 3.15 3.59 0.00 5.78 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 V 8.25 3.66 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 0.85 0.00 0.00 0.95 0.00 0.00 121 T 8.51 4.31 4.14 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 1.02 0.00 0.00 122 G 8.03 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 0.00 123 F 7.84 4.19 0.00 2.84 3.02 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 0.00 124 K 8.35 4.27 0.00 1.71 1.75 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.44 7.81 125 V 8.29 3.97 2.13 0.00 0.00 0.00 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 1.00 0.00 0.00 126 S 8.58 4.49 0.00 3.94 3.96 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 0.00 127 H 7.31 4.73 0.00 3.41 3.27 0.00 5.53 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 0.00 128 H 9.06 4.92 0.00 3.12 3.32 0.00 5.21 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 R 8.23 4.45 0.00 1.69 1.71 0.00 3.28 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.46 0.00 130 L 8.22 4.78 0.00 1.75 1.44 0.93 1.05 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 0.00 131 E 8.80 4.62 0.00 1.78 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 2.09 2.24 0.00 132 I 8.10 4.34 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.82 0.88 0.00 0.00 133 Y 8.32 4.79 0.00 2.92 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 0.00 134 G 8.13 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 0.00 135 V 8.47 4.71 2.09 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 0.90 0.00 0.00 0.95 0.00 0.00 136 C 8.45 4.50 0.00 3.19 3.06 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 0.00 137 Q 8.52 3.91 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.88 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 138 E 8.24 3.96 0.00 2.05 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 2.41 2.43 0.00 139 C 7.97 4.23 0.00 2.95 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 0.00 140 S 7.93 4.32 0.00 3.93 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 0.00 141 K 8.11 3.95 0.00 1.99 1.93 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.44 7.81 142 K 7.46 3.85 0.00 1.93 1.96 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.52 7.81 143 E 7.66 4.44 0.00 2.00 1.94 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 2.25 2.37 0.00 144 N 7.86 4.66 0.00 2.83 2.94 0.00 0.00 6.98 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 * Residues marked with a * may have inaccurate shift predictions.