NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 F 4.7156 8.1833 119.3550 57.4925 41.3853 173.2573 3 Y 4.8250 8.7573 119.6546 55.3701 41.0936 170.7473 4 E 5.1819 10.5973 127.6974 54.7271 32.4742 174.0953 5 I 4.9764 9.2071 128.1896 59.7594 40.0297 174.5743 6 R 5.0276 8.6349 126.6342 54.6221 32.6610 175.3738 7 T 4.9446 8.9584 120.2665 61.9966 71.7742 172.6974 8 Y 5.3611 8.9461 124.1239 56.1779 42.0342 174.7089 9 R 4.9876 9.1633 122.8044 54.8130 32.3325 175.4752 10 L 4.9135 8.9325 127.1081 53.0199 43.7464 176.5260 11 K 4.2375 8.8823 122.0440 55.8002 33.3402 175.5475 12 N 4.4595 8.7902 125.0638 56.1532 38.8697 174.7097 13 G 3.9213 9.2654 114.1170 45.6701 0.0000 173.8302 14 A 4.3887 8.2044 121.0287 52.5343 18.9266 179.5537 15 I 3.6796 7.7506 118.9651 63.9267 37.2615 176.1820 16 P 4.1539 0.0000 0.0000 65.5439 31.2993 178.4997 17 A 3.9727 7.9611 118.9196 55.2219 18.4060 178.7247 18 Y 3.9616 8.3419 118.2711 61.1119 38.9433 178.5375 19 L 4.0663 8.6176 120.1584 57.3809 41.5279 179.6300 20 K 3.8769 8.0273 120.0218 59.5512 32.2143 179.4285 21 V 3.6494 7.6885 119.2287 64.5206 31.3358 178.5854 22 V 3.4839 7.7057 119.0757 65.7408 31.1634 177.6090 23 E 3.7916 7.7140 117.6849 59.5295 29.5880 178.2785 24 D 4.5240 8.1527 117.7857 56.5549 41.0209 176.9867 25 E 4.6067 8.6526 115.2170 54.5779 32.1201 176.7841 26 G 3.0669 7.2632 104.4374 45.3717 0.0000 174.9170 27 I 3.7746 8.0374 121.1136 64.1062 37.9368 177.8786 28 E 3.9866 8.0363 118.7696 59.4166 29.1306 179.1605 29 I 3.6991 7.6768 119.3701 64.4463 37.2339 178.1255 30 Q 3.3394 8.2511 120.4688 59.0000 28.9698 178.4515 31 K 4.4216 8.6448 120.2871 59.3902 31.8967 179.4178 32 S 4.2151 8.0604 113.4725 60.6540 62.9122 175.3924 33 H 4.6022 7.2557 118.4004 57.8991 29.5887 176.9912 34 L 4.2545 7.9693 119.4104 54.6405 41.5668 177.8635 35 G 4.0068 8.7012 108.8952 43.5797 0.0000 174.2536 36 E 4.5361 9.0440 123.4257 54.2059 32.6130 175.7729 37 L 3.3304 8.2301 127.6859 54.2520 42.2152 176.4355 38 V 3.8389 8.5082 127.5577 65.0408 32.5440 176.2954 39 G 3.7366 6.9448 103.4389 45.5628 0.0000 172.2436 40 Y 4.6049 7.5790 122.5291 55.6639 41.2374 174.1136 41 F 5.4385 9.3960 125.6674 55.5903 43.3699 174.2366 42 F 5.6805 8.3023 114.7432 54.7243 40.7791 174.8600 43 S 4.2958 8.8213 115.5277 59.4689 63.1478 173.0095 44 E 4.6047 8.6893 119.3015 57.1972 33.4067 175.4261 45 I 4.5344 8.0857 118.7557 60.6150 40.8774 172.8524 46 G 3.9912 8.7845 114.4427 43.2433 0.0000 172.7492 47 P 4.3092 0.0000 0.0000 62.6371 31.7077 175.8690 48 I 4.2569 8.1842 123.7312 61.4492 38.6572 174.8050 49 N 4.3060 8.7242 117.7395 54.7200 35.7930 173.1594 50 E 5.2548 8.0863 117.8836 54.5407 32.7499 174.4215 51 I 5.1870 8.5806 125.8274 59.5393 41.0110 174.7098 52 V 4.8774 9.0460 126.1997 61.4225 34.6993 173.7335 53 H 5.0556 8.7393 122.8377 53.6361 32.0462 172.3173 54 I 5.2020 8.5436 121.3353 59.4027 40.4558 174.4984 55 W 5.0679 9.2491 125.7067 54.7230 32.6256 174.1124 56 A 4.6928 8.1900 125.7503 50.2810 20.0576 176.3956 57 F 4.9319 8.9110 120.8881 55.4573 41.8449 175.8115 58 S 4.3530 9.1834 118.0916 61.0952 63.3336 174.8148 59 S 4.9396 7.7092 113.7686 55.7982 67.1602 174.6477 60 L 3.7321 7.7919 121.5966 57.2876 41.4154 179.1893 61 D 4.3236 7.8134 118.5305 56.7334 40.8023 177.9883 62 D 4.2988 7.7447 118.7019 56.9733 41.1437 178.1440 63 R 3.0634 7.6211 119.0322 59.0696 29.9685 178.1957 64 A 3.7934 7.6784 120.4437 55.0968 18.2722 179.2001 65 E 3.7784 7.9689 117.5527 59.5669 29.7732 179.3294 66 R 3.9112 8.2042 118.4342 59.3923 29.9302 179.3660 67 R 3.8147 8.0099 116.8227 58.7127 30.0240 178.6698 68 A 4.0857 7.6050 120.3170 55.1444 18.5939 179.5964 69 R 4.0333 7.7648 116.3053 58.8753 29.8687 179.4639 70 L 3.6220 7.3385 117.5388 55.1326 42.0392 177.5863 *72 A 4.2509 8.0035 121.2521 51.2170 20.6660 177.2290 73 D 4.4501 7.7042 116.3799 53.6015 41.4690 175.2667 74 P 4.4217 0.0000 0.0000 65.8138 31.0349 178.5105 75 R 4.0908 8.8756 118.7434 58.6337 29.8938 178.5894 76 W 4.4844 8.4991 128.5559 60.5177 30.5355 178.2135 77 L 3.9217 8.0226 117.4765 57.6381 41.1820 179.0675 78 S 4.2770 7.8065 114.2599 60.6842 63.0700 176.0539 79 F 4.2921 7.8052 123.6939 60.9890 39.2906 177.2791 80 L 3.1170 7.3155 118.8342 57.3660 41.2068 177.9271 81 P 4.1893 0.0000 0.0000 64.7325 31.2992 177.9700 82 K 4.1041 7.7571 116.5241 57.3658 32.4345 177.1936 83 I 4.5188 6.8316 109.8703 59.7082 39.0725 177.0099 84 R 3.7552 7.8040 121.5562 59.0418 29.8320 176.5716 85 D 4.7514 7.8183 114.2104 54.1048 41.8142 176.8371 86 L 4.2671 7.7938 120.1002 56.0037 42.3013 176.4992 87 I 4.4816 7.5768 119.4825 60.3325 38.0706 174.7481 88 E 4.3826 9.3677 125.7721 58.0222 30.9420 176.4092 89 V 4.6809 7.6394 117.8735 61.1582 35.1901 173.6864 90 A 5.5957 8.5008 126.5886 50.7426 22.6571 174.6032 91 E 4.9937 8.5279 114.2752 55.9840 32.2457 174.4233 92 N 5.7863 8.8199 117.5466 51.4814 41.0196 173.3782 93 K 4.7736 9.0964 117.9751 55.7918 36.4164 175.1845 94 I 5.3925 8.1928 121.7102 59.0736 39.7240 175.2250 *96 K 4.1548 8.3571 122.3158 55.5634 33.0694 174.3303 97 P 4.1853 0.0000 0.0000 62.1213 32.3696 176.2233 98 A 3.9575 7.8267 123.2004 51.4821 18.9974 178.7357 99 R 3.7899 8.1127 118.9681 58.8118 30.2040 177.8895 100 F 4.7821 6.7590 110.5990 56.4183 38.1967 175.1167 101 S 4.4986 7.4474 115.9081 57.0764 63.0967 172.4505 102 P 4.3838 0.0000 0.0000 65.5755 31.4402 176.4254 103 L 4.2369 7.6731 120.9735 54.9892 41.5619 176.6749 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 2 F 8.18 4.72 0.00 3.32 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 3 Y 8.76 4.83 0.00 3.09 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 4 E 10.60 5.18 0.00 2.25 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 0.00 2.41 2.40 0.00 5 I 9.21 4.98 1.93 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 1.32 0.65 0.94 0.00 0.00 6 R 8.63 5.03 0.00 1.30 1.71 0.00 3.25 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 7 T 8.96 4.94 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 1.25 0.00 0.00 8 Y 8.95 5.36 0.00 2.78 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 9 R 9.16 4.99 0.00 1.86 1.80 0.00 3.10 0.00 0.00 3.19 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 10 L 8.93 4.91 0.00 1.50 1.71 0.62 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.88 4.24 0.00 1.77 1.69 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.77 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.39 7.81 12 N 8.79 4.46 0.00 2.71 2.77 0.00 0.00 7.29 7.98 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 13 G 9.27 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 14 A 8.20 4.39 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.75 3.68 1.89 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.60 0.80 0.00 0.00 16 P 0.00 4.15 0.00 2.15 2.07 0.00 3.71 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 2.11 2.12 0.00 17 A 7.96 3.97 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 18 Y 8.34 3.96 0.00 3.13 3.26 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 19 L 8.62 4.07 0.00 1.65 1.65 0.36 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.03 3.88 0.00 1.95 1.91 0.00 1.62 0.00 0.00 1.69 0.00 0.00 3.19 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.61 1.42 7.81 21 V 7.69 3.65 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 0.94 0.00 0.00 1.08 0.00 0.00 22 V 7.71 3.48 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 0.63 0.00 0.00 0.58 0.00 0.00 23 E 7.71 3.79 0.00 1.95 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 0.00 2.27 2.29 0.00 24 D 8.15 4.52 0.00 2.72 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 25 E 8.65 4.61 0.00 2.02 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 2.25 0.00 26 G 7.26 3.07 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 27 I 8.04 3.77 1.77 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.40 0.87 0.00 0.00 28 E 8.04 3.99 0.00 1.99 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 2.37 2.32 0.00 29 I 7.68 3.70 2.15 0.00 0.00 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 1.57 0.86 1.07 0.00 0.00 30 Q 8.25 3.34 0.00 1.88 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 31 K 8.64 4.42 0.00 2.05 1.95 0.00 1.75 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.72 1.92 7.81 32 S 8.06 4.22 0.00 3.95 3.95 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 33 H 7.26 4.60 0.00 3.11 3.19 0.00 5.65 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 34 L 7.97 4.25 0.00 1.16 1.46 -0.23 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.70 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 36 E 9.04 4.54 0.00 1.78 1.79 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 2.26 2.22 0.00 37 L 8.23 3.33 0.00 0.60 1.18 -0.26 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.51 3.84 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 0.86 0.00 0.00 1.04 0.00 0.00 39 G 6.94 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 0.00 0.00 0.00 40 Y 7.58 4.60 0.00 2.72 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.40 5.44 0.00 2.94 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 F 8.30 5.68 0.00 3.09 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 43 S 8.82 4.30 0.00 3.99 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 44 E 8.69 4.60 0.00 1.76 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 2.35 0.00 45 I 8.09 4.53 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.77 0.90 0.00 0.00 46 G 8.78 3.99 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 0.00 0.00 0.00 47 P 0.00 4.31 0.00 2.17 2.03 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 2.03 2.11 0.00 48 I 8.18 4.26 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.70 0.95 0.00 0.00 49 N 8.72 4.31 0.00 2.95 3.06 0.00 0.00 6.43 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 50 E 8.09 5.25 0.00 2.09 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 2.23 2.44 0.00 51 I 8.58 5.19 1.80 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.28 0.97 0.00 0.00 52 V 9.05 4.88 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 1.11 0.00 0.00 0.95 0.00 0.00 53 H 8.74 5.06 0.00 2.69 1.66 0.00 5.27 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.54 5.20 1.86 0.00 0.00 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 1.29 1.03 1.15 0.00 0.00 55 W 9.25 5.07 0.00 3.26 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 56 A 8.19 4.69 0.78 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 0.00 0.00 57 F 8.91 4.93 0.00 2.93 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 58 S 9.18 4.35 0.00 4.04 4.06 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 59 S 7.71 4.94 0.00 4.03 4.05 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 60 L 7.79 3.73 0.00 1.33 1.42 0.58 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 61 D 7.81 4.32 0.00 2.63 2.65 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 0.00 0.00 0.00 0.00 62 D 7.74 4.30 0.00 2.79 2.90 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 63 R 7.62 3.06 0.00 0.82 1.59 0.00 2.54 0.00 0.00 2.78 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.50 0.00 64 A 7.68 3.79 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 65 E 7.97 3.78 0.00 2.27 1.96 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 2.27 2.32 0.00 66 R 8.20 3.91 0.00 2.01 2.09 0.00 3.52 0.00 0.00 3.53 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.85 0.00 67 R 8.01 3.81 0.00 1.63 1.86 0.00 2.95 0.00 0.00 2.99 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.49 0.00 68 A 7.61 4.09 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 69 R 7.76 4.03 0.00 1.96 1.98 0.00 3.15 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 70 L 7.34 3.62 0.00 1.27 1.45 -0.27 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 *72 A 8.00 4.25 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 7.70 4.45 0.00 2.74 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 74 P 0.00 4.42 0.00 2.34 2.33 0.00 3.80 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 75 R 8.88 4.09 0.00 2.10 2.11 0.00 3.17 0.00 0.00 3.13 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 76 W 8.50 4.48 0.00 3.38 3.35 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 77 L 8.02 3.92 0.00 1.82 1.72 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 78 S 7.81 4.28 0.00 4.06 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 79 F 7.81 4.29 0.00 3.02 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 80 L 7.32 3.12 0.00 1.38 1.40 0.79 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 81 P 0.00 4.19 0.00 1.87 2.00 0.00 3.54 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.04 0.00 82 K 7.76 4.10 0.00 1.22 1.68 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.28 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.36 1.31 7.81 83 I 6.83 4.52 1.95 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 0.66 0.55 0.55 0.00 0.00 84 R 7.80 3.76 0.00 1.80 1.87 0.00 3.16 0.00 0.00 3.11 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 85 D 7.82 4.75 0.00 2.65 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 86 L 7.79 4.27 0.00 2.01 1.82 1.10 0.93 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 87 I 7.58 4.48 1.73 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.68 0.67 0.00 0.00 88 E 9.37 4.38 0.00 2.00 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 2.27 2.23 0.00 89 V 7.64 4.68 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 1.00 0.00 0.00 0.95 0.00 0.00 90 A 8.50 5.60 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 91 E 8.53 4.99 0.00 2.05 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 2.25 2.27 0.00 92 N 8.82 5.79 0.00 2.75 2.87 0.00 0.00 5.84 7.13 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 93 K 9.10 4.77 0.00 1.85 1.93 0.00 1.32 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.48 7.81 94 I 8.19 5.39 1.96 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 2.00 1.16 0.00 0.00 *96 K 8.36 4.15 0.00 1.74 1.70 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.12 1.47 7.81 97 P 0.00 4.19 0.00 2.12 1.91 0.00 3.73 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 1.94 2.09 0.00 98 A 7.83 3.96 0.23 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 99 R 8.11 3.79 0.00 1.81 2.02 0.00 3.20 0.00 0.00 3.30 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 100 F 6.76 4.78 0.00 3.11 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 0.00 101 S 7.45 4.50 0.00 3.61 3.77 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 0.00 102 P 0.00 4.38 0.00 2.06 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 2.01 2.12 0.00 103 L 7.67 4.24 0.00 1.26 1.36 0.82 0.87 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 * Residues marked with a * may have inaccurate shift predictions.