NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 A 3.7727 8.2644 123.5672 51.9070 20.2298 177.4589 10 R 4.0109 7.7452 122.0908 57.4881 30.7784 176.9333 11 F 4.4196 8.5337 112.5334 58.6803 39.0635 175.4656 12 R 4.2627 7.0782 118.9097 56.6715 30.1047 176.9041 13 K 4.2221 7.6252 117.6077 56.7317 32.5843 176.8608 14 V 4.2915 7.4946 119.1641 60.0274 33.0029 176.4886 15 D 4.6254 8.4582 124.0913 52.9497 39.9531 176.4526 16 V 3.9356 8.1921 125.1561 65.3668 31.7309 176.7729 17 D 4.4507 8.2972 118.1881 57.0344 40.4164 177.6911 18 E 3.7615 7.9149 119.5347 58.5798 29.4110 176.9395 19 Y 4.6297 7.1891 114.1656 57.5824 38.0664 175.0863 20 D 4.5127 8.0530 120.4054 54.2028 42.4127 176.2055 21 E 4.6442 7.9469 127.5093 53.9990 28.1413 174.8104 22 N 4.6529 7.6109 114.8086 53.8350 45.7800 174.1387 23 K 3.8330 7.5749 118.7305 55.9422 31.5424 175.4826 24 F 4.0512 8.6816 127.1145 58.5201 39.7580 174.7305 25 V 4.1271 6.6300 124.8485 60.5218 33.9362 175.0131 26 D 4.4524 8.4363 126.5094 53.8820 41.3105 175.6371 27 E 4.0012 8.5630 121.2967 56.5374 29.4922 175.8196 28 D 4.6125 8.2159 125.3528 52.6308 44.7989 175.1506 *35 A 4.2719 8.8326 126.4886 52.9253 20.2656 176.2772 36 G 4.3308 6.9583 98.7821 42.2807 0.0000 170.9533 37 P 4.4746 0.0000 0.0000 62.0385 32.3413 176.2779 38 D 4.6657 8.2599 118.0886 53.0295 41.7111 175.8755 39 E 3.9821 8.8432 127.1545 59.8342 29.5395 179.4697 40 G 3.6731 8.0671 104.4500 47.9836 0.0000 174.5829 41 E 3.9138 9.2245 122.7055 59.0227 29.4705 179.2757 42 V 3.5393 7.8350 117.7765 66.2710 31.6992 177.5807 43 D 4.3321 8.6070 118.9528 57.4257 40.5258 179.0500 44 S 4.0223 8.5275 113.8671 61.6996 62.4171 175.9292 45 C 4.0900 7.9273 119.1023 62.7338 27.8295 176.2347 46 L 3.8920 8.1655 120.6890 57.9398 41.0859 179.4641 47 R 3.9208 8.3261 117.3991 58.9719 29.9245 177.1683 48 Q 4.4599 8.0181 117.2634 55.3269 29.2891 176.2424 49 G 3.8318 7.8445 104.8527 46.2088 0.0000 175.6143 50 N 4.6645 8.0367 119.8057 51.8032 35.0079 174.7591 51 M 3.7619 7.7431 124.3169 59.2633 32.6302 178.3493 52 T 4.1299 8.1035 114.3374 67.2283 68.7704 176.3237 53 A 4.0788 7.9625 122.1591 54.7421 18.2465 179.6591 54 A 3.8851 8.1743 119.6805 55.2123 18.5284 179.2771 55 L 3.8918 8.1962 118.3683 58.8006 41.9152 179.0147 56 Q 4.0418 7.8886 115.8048 58.9538 28.8835 178.7834 57 A 4.1142 7.9801 121.4608 55.1800 18.3063 179.6468 58 A 3.9978 8.0316 118.0193 54.6903 18.3798 178.7798 59 L 4.3843 7.5534 115.7720 54.1944 42.0839 176.6754 60 K 4.4685 7.3293 118.8271 56.0196 34.0743 175.9661 61 N 4.1989 8.7447 117.1726 53.5037 36.2868 172.9253 62 P 4.5963 0.0000 0.0000 62.4818 32.4591 176.6357 63 P 4.6248 0.0000 0.0000 62.6782 30.4192 177.8996 64 I 3.9366 8.2511 119.8976 63.0998 37.8210 175.7531 65 N 4.9521 7.9492 114.2957 53.5141 39.9891 174.1550 66 T 4.4162 7.8229 108.9546 60.5542 70.3268 174.6291 67 K 4.2745 8.2942 121.6359 56.5643 33.4325 176.5474 68 S 4.4105 7.4086 113.0381 58.4138 63.3891 174.5654 69 Q 4.0533 8.7349 128.2411 58.6721 28.5006 178.5153 70 A 3.9773 7.9258 121.8681 55.1529 18.5785 179.8595 71 V 3.5895 7.7133 117.5827 64.8386 31.2822 178.8005 72 K 3.9975 7.9762 118.6289 59.4913 31.9125 179.1890 73 D 4.4166 8.7030 119.2929 56.9343 40.5970 178.9514 74 R 3.8242 8.2676 119.7462 59.3538 30.1205 178.3248 75 A 4.0360 8.0806 120.6926 55.1370 18.4147 179.6576 76 G 3.6915 8.5041 104.5745 48.1800 0.0000 176.0296 77 S 4.0797 8.3668 117.8444 61.2605 62.9482 176.6479 78 I 3.5954 7.6947 122.4049 64.3969 36.9082 178.4575 79 V 3.2308 7.6985 119.0590 65.8809 31.2809 177.5851 80 L 3.6832 7.9944 120.2682 58.0210 41.9598 178.6162 81 K 3.7825 8.4086 119.7369 59.6812 31.9092 178.7517 82 V 3.6283 7.5399 117.9462 66.0872 31.2338 177.9338 83 L 3.3240 7.3654 117.4209 57.6757 41.3332 179.3465 84 I 3.9848 7.6158 118.9577 64.2239 37.0883 178.1292 85 S 4.3194 7.8564 115.0266 60.8734 63.0362 175.3313 86 F 4.0673 7.5103 118.4445 57.7339 39.5438 174.5597 87 K 4.4287 8.4143 122.8827 56.1099 33.4898 178.1888 88 A 3.7812 7.5593 128.2912 54.8783 20.0982 178.1016 89 N 4.5628 7.9991 110.8086 54.7571 38.9567 175.5899 90 D 4.8132 8.9469 119.4127 54.9641 42.6826 178.6921 91 I 2.8519 7.6220 120.5724 64.0355 36.8843 177.3630 92 E 3.7413 7.9683 119.4169 59.4471 29.0774 178.7261 93 K 3.8978 7.9383 117.0096 59.5020 32.4710 178.0730 94 A 4.2393 7.9209 120.6384 55.0424 18.2326 179.8288 95 V 3.5752 7.8573 116.8016 66.3372 31.5065 178.2754 96 Q 4.0829 7.8691 116.1019 58.2404 28.5581 178.3522 97 S 4.3502 7.5844 114.4010 59.3588 63.6570 174.6008 98 L 4.2876 7.3888 122.9530 54.2582 42.3852 176.6960 99 D 4.7711 8.2373 121.3988 51.9988 42.4032 177.6389 100 K 3.8925 8.4588 118.3674 60.0388 32.0956 179.1738 101 N 4.4363 8.3619 115.9725 56.1669 38.2564 177.6073 102 G 3.5338 8.1840 107.2385 47.7903 0.0000 175.7246 103 V 3.6368 7.8590 121.6277 65.6490 31.4705 177.5022 104 D 4.3701 8.1943 118.3954 57.5797 40.7502 178.7878 105 L 3.8765 7.8275 120.2071 58.0446 42.0070 178.6257 106 L 4.0541 8.3092 120.6076 58.5312 42.0259 178.5759 107 M 4.0695 8.6149 118.3971 58.7166 32.1643 178.3270 108 K 4.0522 8.0973 118.6135 59.7608 32.1213 178.9956 109 Y 4.1506 7.8925 117.0136 60.9430 37.7138 178.4363 110 I 3.4174 7.9917 121.2189 64.4589 36.9094 178.1071 111 Y 4.0501 7.8348 116.7672 60.7645 38.1096 177.9412 112 K 4.2699 8.2927 120.9242 59.1759 32.2622 179.0759 113 G 3.5469 8.1267 106.3082 48.0039 0.0000 175.4637 114 F 4.5809 7.5983 119.2052 60.4867 39.0108 177.2140 115 E 4.4247 7.9813 116.0835 57.4530 30.4164 178.1020 116 S 4.7077 7.9582 113.1647 55.9811 64.0192 171.0726 117 P 4.4042 0.0000 0.0000 63.7243 33.5773 173.5730 118 S 4.2965 9.3219 116.2972 58.6603 62.1119 176.0812 119 D 4.7130 8.9921 118.2257 53.2137 40.4830 176.0018 120 N 4.4246 8.1195 114.6858 54.5407 38.1247 175.7486 121 S 4.2213 7.5858 114.6770 61.1912 62.7218 176.3980 122 S 4.3531 8.1684 118.1780 61.1398 62.3890 176.0631 123 A 4.0827 7.9405 123.5891 54.9045 18.3034 179.6039 124 V 3.9177 7.7538 117.1009 64.7912 32.0155 178.3509 125 L 3.9983 8.1071 119.6813 57.6545 41.5182 179.5776 126 L 4.4236 8.2242 118.7487 57.5839 41.5801 179.5937 127 Q 4.0133 8.4588 118.8195 58.6472 28.6134 178.5137 128 W 3.7926 8.2043 119.5020 59.9686 29.1277 177.7173 129 H 3.9036 8.8023 118.6326 59.2884 29.1929 176.7791 130 E 3.9807 8.1138 120.6313 59.3075 29.6142 179.0892 131 K 3.8984 7.8823 118.0446 59.3426 32.0429 179.2617 132 A 4.0385 8.8689 122.0145 54.9294 18.2624 179.4821 133 L 3.8386 8.3263 119.0316 58.3576 42.0274 178.9753 134 A 4.0693 7.7589 119.0896 55.0333 18.2842 179.0582 135 A 4.2699 7.8616 118.0519 54.4140 19.0987 179.1850 136 G 3.9019 8.2904 101.3699 43.4154 0.0000 174.8832 137 G 4.0095 8.5889 112.1949 44.5405 0.0000 174.9659 138 V 3.8585 8.1571 117.5517 64.3936 31.1052 178.4559 139 G 3.6791 8.1120 106.4784 47.4445 0.0000 175.5976 140 S 4.3750 7.9453 115.8155 61.1959 63.4022 176.3044 141 I 3.9480 7.6027 123.2965 63.9128 36.9624 178.0763 142 V 3.5520 7.7946 119.2079 66.1546 31.4694 178.1038 143 R 4.0379 8.0033 116.4921 57.9473 29.6026 179.0512 144 V 3.6599 7.3636 118.4308 65.8565 31.6723 177.6177 145 L 4.0491 7.6093 117.1021 57.9281 41.6345 179.0362 146 T 4.0528 7.9877 114.4252 64.4697 68.8059 175.3015 147 A 4.0541 7.0145 122.8759 52.5911 18.7876 177.4849 148 R 4.3122 8.5398 120.7896 56.4491 31.2750 176.7134 149 K 4.4944 7.9160 116.7873 54.6932 34.0593 174.9168 150 T 4.5703 7.9966 117.2477 60.3139 70.8231 173.7542 151 V 3.7449 8.0624 114.4997 61.6594 31.5594 176.3956 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 9 A 8.26 3.77 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 10 R 7.75 4.01 0.00 1.92 1.95 0.00 3.20 0.00 0.00 3.41 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 11 F 8.53 4.42 0.00 3.17 3.19 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 12 R 7.08 4.26 0.00 1.52 1.87 0.00 2.82 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.69 0.00 13 K 7.63 4.22 0.00 1.69 1.84 0.00 1.65 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.37 7.81 14 V 7.49 4.29 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 0.85 0.00 0.00 1.03 0.00 0.00 15 D 8.46 4.63 0.00 2.83 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 16 V 8.19 3.94 2.16 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 1.10 0.00 0.00 1.07 0.00 0.00 17 D 8.30 4.45 0.00 2.96 2.70 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 18 E 7.91 3.76 0.00 1.99 1.12 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 2.11 2.16 0.00 19 Y 7.19 4.63 0.00 2.99 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 20 D 8.05 4.51 0.00 2.79 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 21 E 7.95 4.64 0.00 2.03 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 2.28 2.42 0.00 22 N 7.61 4.65 0.00 2.89 2.81 0.00 0.00 7.14 7.61 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 23 K 7.57 3.83 0.00 1.87 1.79 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.45 7.81 24 F 8.68 4.05 0.00 3.01 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 V 6.63 4.13 1.80 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 0.75 0.00 0.00 0.87 0.00 0.00 26 D 8.44 4.45 0.00 2.70 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 27 E 8.56 4.00 0.00 1.94 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 0.00 2.30 2.39 0.00 28 D 8.22 4.61 0.00 2.60 2.47 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 0.00 0.00 0.00 0.00 *35 A 8.83 4.27 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 36 G 6.96 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 0.00 0.00 0.00 0.00 37 P 0.00 4.47 0.00 2.00 2.05 0.00 3.64 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.23 0.00 38 D 8.26 4.67 0.00 2.69 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 39 E 8.84 3.98 0.00 2.00 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 2.39 2.34 0.00 40 G 8.07 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 0.00 0.00 0.00 41 E 9.22 3.91 0.00 2.11 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 2.34 0.00 42 V 7.84 3.54 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 1.04 0.00 0.00 1.00 0.00 0.00 43 D 8.61 4.33 0.00 2.81 2.70 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 44 S 8.53 4.02 0.00 3.90 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 45 C 7.93 4.09 0.00 3.18 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 46 L 8.17 3.89 0.00 1.88 1.68 0.91 1.06 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 47 R 8.33 3.92 0.00 1.87 2.11 0.00 3.40 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 1.63 1.78 0.00 48 Q 8.02 4.46 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.81 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 49 G 7.84 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 0.00 0.00 0.00 50 N 8.04 4.66 0.00 2.82 2.78 0.00 0.00 6.94 8.40 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 51 M 7.74 3.76 0.00 0.65 1.78 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.52 0.00 52 T 8.10 4.13 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 1.31 0.00 0.00 53 A 7.96 4.08 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 54 A 8.17 3.89 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 55 L 8.20 3.89 0.00 2.01 2.05 0.69 0.86 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 56 Q 7.89 4.04 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.74 0.00 0.00 0.00 0.00 0.00 2.44 2.59 0.00 57 A 7.98 4.11 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.03 4.00 1.22 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 59 L 7.55 4.38 0.00 1.82 1.75 0.96 1.02 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 60 K 7.33 4.47 0.00 1.88 1.73 0.00 1.86 0.00 0.00 1.91 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.72 7.81 61 N 8.74 4.20 0.00 3.06 2.85 0.00 0.00 6.76 8.03 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 62 P 0.00 4.60 0.00 2.23 2.33 0.00 3.73 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 63 P 0.00 4.62 0.00 2.23 2.12 0.00 3.73 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.24 0.00 64 I 8.25 3.94 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.72 0.93 0.00 0.00 65 N 7.95 4.95 0.00 2.70 2.77 0.00 0.00 6.94 7.54 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 66 T 7.82 4.42 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 67 K 8.29 4.27 0.00 1.72 1.84 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.34 7.81 68 S 7.41 4.41 0.00 3.94 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 69 Q 8.73 4.05 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 70 A 7.93 3.98 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 71 V 7.71 3.59 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 0.83 0.00 0.00 0.94 0.00 0.00 72 K 7.98 4.00 0.00 2.05 2.15 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.15 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.48 1.74 7.81 73 D 8.70 4.42 0.00 2.95 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 74 R 8.27 3.82 0.00 2.10 2.06 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 75 A 8.08 4.04 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 0.00 0.00 76 G 8.50 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.37 4.08 0.00 4.00 3.89 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 78 I 7.69 3.60 1.90 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.23 0.81 0.00 0.00 79 V 7.70 3.23 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 0.51 0.00 0.00 -0.18 0.00 0.00 80 L 7.99 3.68 0.00 1.74 1.76 0.78 0.43 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 81 K 8.41 3.78 0.00 1.90 1.94 0.00 1.67 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.44 7.81 82 V 7.54 3.63 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 1.17 0.00 0.00 0.91 0.00 0.00 83 L 7.37 3.32 0.00 1.36 0.68 0.35 -1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 84 I 7.62 3.98 2.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.36 0.95 0.00 0.00 85 S 7.86 4.32 0.00 4.16 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 86 F 7.51 4.07 0.00 3.55 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 87 K 8.41 4.43 0.00 1.82 1.67 0.00 1.64 0.00 0.00 1.85 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.48 7.81 88 A 7.56 3.78 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 89 N 8.00 4.56 0.00 2.72 2.87 0.00 0.00 6.80 8.06 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 90 D 8.95 4.81 0.00 2.97 2.84 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 91 I 7.62 2.85 1.30 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.48 -1.08 0.00 0.00 92 E 7.97 3.74 0.00 1.92 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 2.34 2.33 0.00 93 K 7.94 3.90 0.00 1.79 1.85 0.00 1.85 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.53 7.81 94 A 7.92 4.24 1.61 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 0.00 0.00 95 V 7.86 3.58 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 1.18 0.00 0.00 0.86 0.00 0.00 96 Q 7.87 4.08 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 97 S 7.58 4.35 0.00 4.01 4.17 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 98 L 7.39 4.29 0.00 1.78 1.67 0.99 1.02 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 99 D 8.24 4.77 0.00 2.88 2.82 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 0.00 0.00 0.00 100 K 8.46 3.89 0.00 1.79 1.92 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.54 1.50 7.81 101 N 8.36 4.44 0.00 2.74 2.89 0.00 0.00 6.94 7.63 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 0.00 102 G 8.18 3.53 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 0.00 103 V 7.86 3.64 2.22 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 0.97 0.00 0.00 0.99 0.00 0.00 104 D 8.19 4.37 0.00 3.01 2.72 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 0.00 105 L 7.83 3.88 0.00 1.90 1.89 0.75 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.31 4.05 0.00 1.83 1.92 0.79 1.09 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 0.00 107 M 8.61 4.07 0.00 2.31 2.20 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 3.01 2.81 0.00 108 K 8.10 4.05 0.00 1.80 1.64 0.00 1.59 0.00 0.00 1.52 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.63 7.81 109 Y 7.89 4.15 0.00 3.19 2.84 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 0.00 110 I 7.99 3.42 1.84 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 1.32 0.77 0.30 0.00 0.00 111 Y 7.83 4.05 0.00 3.02 3.13 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 0.00 0.00 0.00 0.00 112 K 8.29 4.27 0.00 1.88 2.04 0.00 1.71 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.49 1.50 7.81 113 G 8.13 3.55 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 0.00 0.00 0.00 114 F 7.60 4.58 0.00 3.33 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 0.00 115 E 7.98 4.42 0.00 2.28 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 0.00 2.43 2.60 0.00 116 S 7.96 4.71 0.00 3.95 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 0.00 117 P 0.00 4.40 0.00 2.09 2.09 0.00 3.67 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 118 S 9.32 4.30 0.00 3.80 3.48 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 0.00 119 D 8.99 4.71 0.00 2.74 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 0.00 120 N 8.12 4.42 0.00 2.95 2.90 0.00 0.00 6.79 7.63 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 0.00 121 S 7.59 4.22 0.00 4.20 4.13 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 0.00 0.00 0.00 0.00 122 S 8.17 4.35 0.00 3.96 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 0.00 123 A 7.94 4.08 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.75 3.92 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 1.13 0.00 0.00 1.21 0.00 0.00 125 L 8.11 4.00 0.00 1.76 1.34 0.76 0.11 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 0.00 126 L 8.22 4.42 0.00 1.99 1.80 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 8.46 4.01 0.00 2.29 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 2.65 2.55 0.00 128 W 8.20 3.79 0.00 3.46 3.21 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 0.00 129 H 8.80 3.90 0.00 3.28 3.59 0.00 5.59 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 0.00 130 E 8.11 3.98 0.00 2.26 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 2.29 2.37 0.00 131 K 7.88 3.90 0.00 1.83 1.67 0.00 1.51 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.21 1.34 7.81 132 A 8.87 4.04 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 0.00 0.00 133 L 8.33 3.84 0.00 1.78 1.89 0.97 1.05 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 0.00 134 A 7.76 4.07 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 0.00 135 A 7.86 4.27 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 0.00 136 G 8.29 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 0.00 137 G 8.59 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 0.00 138 V 8.16 3.86 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 0.84 0.00 0.00 0.96 0.00 0.00 139 G 8.11 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 0.00 0.00 0.00 140 S 7.95 4.37 0.00 4.09 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 0.00 141 I 7.60 3.95 2.07 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.82 0.88 0.00 0.00 142 V 7.79 3.55 2.25 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 1.08 0.00 0.00 0.94 0.00 0.00 143 R 8.00 4.04 0.00 1.90 1.94 0.00 3.16 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 144 V 7.36 3.66 2.07 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 0.55 0.00 0.00 1.03 0.00 0.00 145 L 7.61 4.05 0.00 1.70 1.64 0.85 0.68 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 0.00 146 T 7.99 4.05 4.30 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 1.18 0.00 0.00 147 A 7.01 4.05 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 0.00 148 R 8.54 4.31 0.00 1.83 2.03 0.00 3.31 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 149 K 7.92 4.49 0.00 1.67 1.93 0.00 1.59 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.44 7.81 150 T 8.00 4.57 4.19 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 1.18 0.00 0.00 151 V 8.06 3.74 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 -0.04 0.00 0.00 0.63 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.