NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.1011 8.2493 123.5836 50.6698 20.6036 172.6822 5 D 4.3806 8.2382 122.5195 52.5780 38.1938 172.4974 6 M 3.9015 9.0041 125.7563 58.3635 33.3446 177.8403 7 E 3.5355 8.3050 122.6764 56.7648 26.7273 176.5965 8 V 4.5245 8.1591 122.8242 58.6789 34.7825 173.4082 9 I 4.4164 8.1032 125.9831 58.4490 37.1549 171.1090 10 E 4.9566 8.8175 127.4259 54.4239 30.3383 175.5188 11 L 4.6130 8.6609 125.3981 54.8223 42.7323 172.8123 12 N 4.0806 9.0194 126.7636 53.1675 40.1656 173.3288 13 K 4.8269 8.1245 122.4524 54.5188 32.5971 175.5796 14 C 4.3399 7.7963 116.7543 60.2031 28.4413 173.3738 15 T 4.2312 8.4932 112.5514 63.8953 67.7603 176.2975 16 S 4.6252 7.6458 112.8505 56.9376 62.5751 172.7581 17 G 4.0152 6.9609 106.7707 45.3274 0.0000 171.9675 18 Q 4.6797 8.7416 122.2386 54.9394 32.1535 174.7600 19 S 4.9328 8.0061 121.9600 56.6961 66.1649 172.0340 20 F 4.8944 7.5780 110.8080 58.4426 39.0834 173.7210 21 E 4.3585 8.5785 121.1346 55.8557 30.2579 176.7302 22 V 4.5491 8.1094 123.6262 60.5561 32.3244 175.4794 23 I 4.1038 8.1425 123.8186 59.6793 36.2793 173.5835 24 L 4.5330 8.4132 126.1002 56.1507 44.0296 177.2899 25 K 4.2910 8.1048 118.4474 53.5483 32.9645 175.9021 26 P 4.1109 0.0000 0.0000 59.8514 31.8493 175.5388 27 P 4.2271 0.0000 0.0000 64.4663 31.0206 175.9963 28 S 3.4391 7.5485 112.9968 59.7874 62.7439 171.5770 *29 F 4.7231 7.6629 130.2065 58.0149 42.1998 170.6467 30 D 4.5805 8.7745 118.0428 54.9748 42.8781 173.1804 *45 P 4.1760 0.0000 0.0000 63.2774 32.2865 177.4719 46 S 4.0319 8.8337 123.1820 59.3032 62.6052 172.3245 47 L 3.4584 8.1038 113.7340 55.2043 37.9407 177.8418 48 E 4.1085 9.2362 125.0098 59.2156 29.8985 178.6310 49 E 3.8757 8.0467 121.6764 59.9282 30.8242 178.0647 50 I 4.4548 7.4925 116.8570 59.4321 33.3043 176.6541 51 Q 4.6269 7.6568 121.7330 55.8824 30.5264 178.4935 52 K 4.0562 7.7266 116.4585 58.1855 32.0911 177.6978 53 K 4.6013 7.8025 117.3769 55.8998 31.9002 176.5989 54 L 4.6580 8.2577 121.4249 54.6339 42.6838 177.3156 55 E 4.5460 8.1945 114.7224 55.9933 29.8743 177.1665 56 A 4.3312 7.3885 124.1753 54.4076 18.9298 178.8278 57 A 4.1459 7.7796 119.4976 53.9976 18.6344 180.2356 58 E 3.8526 7.8588 113.1204 58.0999 30.2542 178.0947 59 E 4.9763 7.3580 119.1520 55.0577 29.8581 176.1810 60 R 4.6713 8.6903 115.2130 55.1097 35.6994 177.1739 61 R 4.3737 8.0320 116.3416 56.9378 30.8568 177.3917 62 K 4.2972 7.5725 118.1247 59.1665 32.1896 177.1651 63 Y 4.1847 8.6724 120.9732 58.6517 38.4826 178.4422 64 Q 3.6240 8.4843 119.7044 58.4386 30.2871 179.2877 65 E 4.0281 7.5360 117.4727 59.0410 30.1306 178.0136 66 A 4.1398 8.1699 119.5317 54.2215 18.2980 178.0217 67 E 4.1560 8.6524 122.0603 58.2988 29.1926 178.8892 68 L 4.4099 7.3856 121.3773 56.3721 41.7872 179.1986 69 L 4.6938 8.5851 121.1848 57.6537 43.7670 178.3304 70 K 4.5191 7.7001 115.5376 56.9676 31.4385 176.5051 71 H 4.6913 8.0757 115.5165 54.7659 31.4238 174.0826 72 L 4.4644 7.7658 117.7147 55.7468 42.6558 176.7666 73 A 4.2425 8.0601 119.0576 54.1701 18.7203 178.4256 74 E 4.0474 8.1484 121.1757 59.1036 29.4306 178.9541 75 K 4.0356 7.9731 123.7677 59.5270 31.8069 180.7320 76 R 4.1343 7.5728 116.2421 59.2868 30.2491 178.4054 77 E 4.7293 7.9530 117.3202 57.0114 30.2180 176.7216 78 H 4.9062 7.7924 117.0251 56.5109 31.2155 174.6290 79 E 3.9965 8.0685 120.6158 59.6733 29.2508 178.5586 80 R 3.9567 8.0308 116.6905 58.3312 30.1936 176.9078 81 E 4.3700 7.8651 120.1609 59.4896 30.3356 178.5672 82 V 3.6113 7.5023 121.4144 66.5030 31.5464 180.3165 83 I 4.2239 7.6670 117.3561 62.9257 35.2955 177.9921 84 Q 4.6954 7.6517 121.6027 59.2574 30.1909 177.9458 85 K 3.9630 8.7684 124.3333 58.8214 31.5287 179.6759 86 A 4.3812 7.7266 119.7805 55.1327 19.2821 178.7996 87 I 3.6399 7.7421 117.8337 65.0309 38.2135 178.7509 88 E 4.0783 9.0625 119.6111 60.8837 28.2814 180.5133 89 E 4.2230 7.6880 118.9334 59.0677 29.5657 178.5984 90 N 4.3146 8.3386 117.5647 56.7956 39.1178 176.5981 91 N 4.5595 8.0032 116.5383 55.1958 38.3592 176.1585 92 N 4.5176 7.7109 117.0495 54.8898 39.4436 175.6722 93 F 4.5654 7.4546 118.9558 60.9350 40.0104 176.6560 94 I 3.6443 8.3882 119.7638 64.4509 38.6670 177.7531 95 K 4.4156 7.9653 126.4770 55.7069 30.2428 177.8773 96 M 5.0976 7.6086 122.8270 56.3983 40.5382 175.2198 97 A 4.3097 7.5034 120.7359 51.7773 17.2870 177.2853 98 K 4.2614 7.5263 125.8704 57.4250 34.0982 175.9615 99 E 4.4793 7.9967 118.0332 57.7424 30.0275 177.9822 100 K 4.3020 7.7843 123.6163 57.8424 31.9901 182.0085 101 L 4.7024 7.4234 117.0442 57.6123 44.0601 177.8686 102 A 4.0508 8.8735 123.4714 55.1386 18.1905 179.1522 103 Q 4.5351 7.5080 117.2187 56.9324 28.3751 180.2270 104 K 4.7789 7.8359 120.0911 57.3551 32.4140 176.6737 105 M 4.8331 7.8501 113.0031 55.1996 34.5249 175.1738 106 E 4.5909 8.0757 119.7350 55.4686 31.6861 177.6543 107 S 4.1439 8.1981 111.9983 61.2079 62.5848 175.1152 108 N 4.4009 8.0275 119.5215 56.5646 38.9652 176.1008 109 K 3.8123 8.2478 122.5154 60.8145 31.9644 178.5175 110 E 4.0135 7.9689 117.8935 61.0681 29.6190 180.4022 111 N 4.7424 8.1744 114.6178 55.5741 39.2570 175.9544 112 R 4.3297 7.6603 118.3724 58.1172 31.1310 177.4854 113 E 3.8274 7.8147 117.7851 58.5888 29.6924 177.3501 114 A 4.7706 7.9616 119.0780 51.9773 19.8645 175.6409 115 H 4.7352 11.0268 122.8859 58.8863 32.1611 177.0724 116 L 4.0581 7.9002 118.5904 56.3720 40.8754 181.2894 117 A 4.5968 8.0491 117.8043 52.8626 19.3044 177.6548 118 A 4.3368 7.7908 117.1409 52.5785 19.7277 178.3773 119 M 4.1485 7.7679 116.6981 57.9177 32.6840 177.7497 120 L 3.9142 7.5157 119.2581 58.1110 42.1299 178.4299 121 E 4.1148 7.6033 117.3418 58.4360 29.6756 177.8491 122 R 4.2918 7.2605 115.8407 56.6946 30.4769 175.6040 123 L 4.4630 7.4087 118.6441 56.4613 44.6412 177.7450 124 Q 3.8622 7.8979 118.8429 57.4935 30.1030 177.8618 125 E 4.4583 8.8648 117.8049 58.0731 31.4367 177.0567 126 K 4.3634 7.8869 115.6471 56.8733 32.2301 176.1533 127 D 4.6650 8.1270 118.8334 56.5960 42.9973 178.7884 128 K 4.1726 7.7727 114.4390 55.7341 31.3105 178.8891 129 H 4.8713 8.3256 119.4603 57.3867 32.0533 175.2411 130 A 3.9876 8.1410 124.6120 55.9725 18.7396 179.8367 131 E 3.8895 8.4581 113.8479 59.9772 29.7996 181.0684 132 E 4.5549 8.0733 111.6213 56.3714 29.6527 178.7827 133 V 4.6898 7.4966 112.0543 62.2154 33.0427 176.4032 134 R 4.4285 8.1367 121.3646 56.8457 32.5492 175.6546 135 K 4.7256 8.4178 121.1052 52.7892 31.2037 180.0971 136 N 4.5702 7.5568 122.1269 54.9268 44.1739 176.2977 137 K 4.2932 8.2347 120.6322 56.6907 32.3647 182.3921 138 E 4.7231 7.9003 115.0189 56.8091 30.0845 182.5974 139 L 4.8698 7.7936 121.0483 55.9929 46.6084 181.1170 140 K 4.7415 7.2910 125.8185 54.9663 30.6579 181.6721 141 E 4.2549 8.8238 115.1693 57.7590 29.7084 175.1395 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 A 8.25 4.10 1.31 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 0.00 0.00 0.00 5 D 8.24 4.38 0.00 3.07 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 6 M 9.00 3.90 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.48 0.00 7 E 8.31 3.54 0.00 2.11 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 2.14 1.85 0.00 8 V 8.16 4.52 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 0.91 0.00 0.00 0.93 0.00 0.00 9 I 8.10 4.42 1.87 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 1.23 0.58 0.91 0.00 0.00 10 E 8.82 4.96 0.00 1.85 1.97 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 2.15 2.17 0.00 11 L 8.66 4.61 0.00 1.63 1.68 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 12 N 9.02 4.08 0.00 2.94 2.79 0.00 0.00 6.59 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 13 K 8.12 4.83 0.00 1.71 1.66 0.00 1.87 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.48 7.81 14 C 7.80 4.34 0.00 3.08 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 15 T 8.49 4.23 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 1.21 0.00 0.00 16 S 7.65 4.63 0.00 3.84 3.80 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 17 G 6.96 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 18 Q 8.74 4.68 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.70 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 19 S 8.01 4.93 0.00 3.47 3.61 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 20 F 7.58 4.89 0.00 3.12 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 21 E 8.58 4.36 0.00 2.24 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 2.32 2.26 0.00 22 V 8.11 4.55 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 0.85 0.00 0.00 1.00 0.00 0.00 23 I 8.14 4.10 1.87 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 1.30 0.69 0.91 0.00 0.00 24 L 8.41 4.53 0.00 1.55 1.68 0.93 0.51 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 25 K 8.10 4.29 0.00 1.77 1.56 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.27 1.02 7.81 26 P 0.00 4.11 0.00 2.18 1.99 0.00 3.59 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 27 P 0.00 4.23 0.00 2.17 2.21 0.00 3.91 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 28 S 7.55 3.44 0.00 4.09 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 *29 F 7.66 4.72 0.00 2.34 1.48 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 0.00 30 D 8.77 4.58 0.00 2.63 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 0.00 0.00 0.00 0.00 *45 P 0.00 4.18 0.00 2.06 2.11 0.00 3.64 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.08 0.00 46 S 8.83 4.03 0.00 3.63 3.78 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 47 L 8.10 3.46 0.00 1.73 1.52 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 48 E 9.24 4.11 0.00 1.90 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 2.37 0.00 49 E 8.05 3.88 0.00 2.09 1.88 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 2.37 2.42 0.00 50 I 7.49 4.45 1.87 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 1.47 0.80 0.91 0.00 0.00 51 Q 7.66 4.63 0.00 2.22 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.92 0.00 0.00 0.00 0.00 0.00 2.28 2.48 0.00 52 K 7.73 4.06 0.00 1.88 1.90 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.42 7.81 53 K 7.80 4.60 0.00 1.72 1.80 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.34 7.81 54 L 8.26 4.66 0.00 1.65 1.76 0.92 0.73 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 55 E 8.19 4.55 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 2.29 2.29 0.00 56 A 7.39 4.33 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 57 A 7.78 4.15 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 58 E 7.86 3.85 0.00 2.27 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 2.34 2.31 0.00 59 E 7.36 4.98 0.00 2.00 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 2.23 2.27 0.00 60 R 8.69 4.67 0.00 2.14 1.86 0.00 3.12 0.00 0.00 3.03 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.60 0.00 61 R 8.03 4.37 0.00 1.88 2.06 0.00 3.18 0.00 0.00 3.35 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 62 K 7.57 4.30 0.00 2.24 1.88 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.45 7.81 63 Y 8.67 4.18 0.00 3.05 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 64 Q 8.48 3.62 0.00 2.35 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 65 E 7.54 4.03 0.00 2.10 2.12 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 2.30 2.32 0.00 66 A 8.17 4.14 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 67 E 8.65 4.16 0.00 1.73 1.81 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 2.21 2.30 0.00 68 L 7.39 4.41 0.00 1.83 1.54 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.59 4.69 0.00 1.70 1.71 0.91 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 70 K 7.70 4.52 0.00 1.69 1.89 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.34 7.81 71 H 8.08 4.69 0.00 3.28 3.19 0.00 5.76 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 7.77 4.46 0.00 1.65 1.65 0.92 1.02 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 73 A 8.06 4.24 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 74 E 8.15 4.05 0.00 2.03 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 2.30 2.37 0.00 75 K 7.97 4.04 0.00 1.80 1.83 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.45 1.08 7.81 76 R 7.57 4.13 0.00 2.02 1.93 0.00 3.09 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 77 E 7.95 4.73 0.00 1.99 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 0.00 2.24 2.27 0.00 78 H 7.79 4.91 0.00 3.24 3.41 0.00 5.78 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 79 E 8.07 4.00 0.00 2.43 1.97 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 2.33 2.32 0.00 80 R 8.03 3.96 0.00 1.79 1.97 0.00 3.47 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 81 E 7.87 4.37 0.00 1.96 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 2.23 2.31 0.00 82 V 7.50 3.61 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 0.72 0.00 0.00 0.93 0.00 0.00 83 I 7.67 4.22 1.87 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 1.41 1.10 0.91 0.00 0.00 84 Q 7.65 4.70 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.79 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 85 K 8.77 3.96 0.00 1.73 1.81 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.38 1.34 7.81 86 A 7.73 4.38 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 87 I 7.74 3.64 1.87 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 1.50 1.33 0.97 0.00 0.00 88 E 9.06 4.08 0.00 1.97 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 2.24 2.18 0.00 89 E 7.69 4.22 0.00 2.12 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 2.27 2.31 0.00 90 N 8.34 4.31 0.00 2.97 2.95 0.00 0.00 7.12 7.53 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 91 N 8.00 4.56 0.00 2.77 2.87 0.00 0.00 6.74 8.21 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 92 N 7.71 4.52 0.00 3.09 2.97 0.00 0.00 7.00 6.90 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 93 F 7.45 4.57 0.00 3.16 3.23 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 94 I 8.39 3.64 2.11 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.84 0.99 0.00 0.00 95 K 7.97 4.42 0.00 1.85 1.64 0.00 1.88 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.38 1.31 7.81 96 M 7.61 5.10 0.00 1.95 2.05 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.46 0.00 97 A 7.50 4.31 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.53 4.26 0.00 1.92 1.72 0.00 1.69 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.42 7.81 99 E 8.00 4.48 0.00 2.17 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 2.28 2.28 0.00 100 K 7.78 4.30 0.00 1.90 1.75 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.31 7.81 101 L 7.42 4.70 0.00 1.61 1.74 0.89 1.05 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 0.00 102 A 8.87 4.05 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 0.00 103 Q 7.51 4.54 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 7.23 0.00 0.00 0.00 0.00 0.00 2.26 2.22 0.00 104 K 7.84 4.78 0.00 1.64 1.81 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.35 7.81 105 M 7.85 4.83 0.00 1.94 2.15 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.46 0.00 106 E 8.08 4.59 0.00 2.04 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 0.00 2.25 2.19 0.00 107 S 8.20 4.14 0.00 3.99 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 0.00 108 N 8.03 4.40 0.00 2.94 2.77 0.00 0.00 6.81 7.39 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 0.00 109 K 8.25 3.81 0.00 1.85 1.79 0.00 1.80 0.00 0.00 1.95 0.00 0.00 2.98 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.52 1.60 7.81 110 E 7.97 4.01 0.00 2.12 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 2.27 2.22 0.00 111 N 8.17 4.74 0.00 3.02 2.86 0.00 0.00 7.01 8.36 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 0.00 112 R 7.66 4.33 0.00 1.87 1.86 0.00 3.26 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 113 E 7.81 3.83 0.00 2.07 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 2.34 2.31 0.00 114 A 7.96 4.77 1.24 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 0.00 115 H 11.03 4.74 0.00 3.24 3.36 0.00 5.59 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.90 4.06 0.00 1.61 1.67 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 117 A 8.05 4.60 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 0.00 118 A 7.79 4.34 1.26 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 0.00 0.00 0.00 119 M 7.77 4.15 0.00 2.34 2.10 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.60 0.00 120 L 7.52 3.91 0.00 1.96 1.64 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 121 E 7.60 4.11 0.00 2.06 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 2.38 0.00 122 R 7.26 4.29 0.00 1.67 1.94 0.00 3.15 0.00 0.00 3.19 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 123 L 7.41 4.46 0.00 1.93 1.62 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 124 Q 7.90 3.86 0.00 2.37 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.35 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 125 E 8.86 4.46 0.00 1.99 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 2.18 2.37 0.00 126 K 7.89 4.36 0.00 1.80 1.84 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.41 7.81 127 D 8.13 4.66 0.00 2.72 2.57 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 0.00 128 K 7.77 4.17 0.00 1.90 1.69 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.26 7.81 129 H 8.33 4.87 0.00 3.00 3.46 0.00 5.92 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.14 3.99 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 0.00 131 E 8.46 3.89 0.00 1.91 1.97 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 2.32 1.88 0.00 132 E 8.07 4.55 0.00 1.98 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.90 0.00 133 V 7.50 4.69 2.06 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 0.89 0.00 0.00 0.95 0.00 0.00 134 R 8.14 4.43 0.00 1.87 1.82 0.00 3.16 0.00 0.00 3.36 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 135 K 8.42 4.73 0.00 1.77 1.63 0.00 1.90 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.24 7.81 136 N 7.56 4.57 0.00 2.73 2.74 0.00 0.00 7.14 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 0.00 137 K 8.23 4.29 0.00 1.81 1.70 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.32 0.99 7.81 138 E 7.90 4.72 0.00 1.97 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 2.20 2.11 0.00 139 L 7.79 4.87 0.00 1.59 1.52 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 140 K 7.29 4.74 0.00 1.85 1.17 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.39 1.25 7.81 141 E 8.82 4.25 0.00 1.98 1.75 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 2.23 1.87 0.00 * Residues marked with a * may have inaccurate shift predictions.