NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 A 4.3932 8.1233 123.5864 52.4052 20.9415 179.0961 10 N 4.1685 8.0779 112.7913 56.1599 38.5899 176.0817 11 S 4.1636 8.8414 117.3362 61.6239 63.3918 176.4707 12 T 3.8673 7.8026 118.0739 66.5953 68.3695 176.6096 13 V 3.3551 7.4435 119.5974 66.0068 31.4563 177.9613 14 L 3.8302 8.1151 119.0468 57.8159 40.9423 179.4577 15 S 4.1517 8.2297 113.0320 61.4201 62.1124 176.0475 16 F 4.4406 8.0157 122.1259 61.6459 39.3303 176.6257 17 C 3.8319 8.1829 116.0758 62.0077 27.6742 175.8400 18 A 3.6395 7.7405 123.1558 55.3427 17.8722 178.5208 19 F 4.3832 7.2140 109.3593 57.9812 39.0783 176.0949 20 A 4.2463 7.0992 124.2612 51.6630 18.7813 178.5959 21 V 3.7698 8.1438 112.8984 63.6682 32.1198 176.4948 22 D 4.6310 7.5563 118.3081 50.3811 41.7359 173.0479 23 P 4.1855 0.0000 0.0000 65.3111 31.4394 177.7302 24 A 3.9283 7.9168 118.8025 55.0838 18.4056 179.4857 25 K 3.9699 9.0439 118.3253 59.3300 32.1813 178.8120 26 A 3.9675 7.9598 121.4000 55.2472 18.3321 178.6195 27 Y 4.3579 8.3128 117.6482 60.9940 38.8064 178.6213 28 K 3.8300 8.3066 120.2319 59.6789 32.2258 178.5682 29 D 4.3586 8.1965 119.1740 57.2725 40.8131 177.8011 30 Y 4.1540 8.5799 120.5961 60.8997 38.7684 178.5097 31 L 3.5121 7.8967 119.2421 57.6917 41.5077 179.1075 32 A 4.0742 7.5605 119.2779 55.2370 18.1718 178.7405 33 S 4.5423 7.8474 111.5152 58.2324 63.2346 174.4261 34 G 3.6401 8.2893 109.3412 46.4663 0.0000 174.7712 35 G 2.6443 7.0113 107.4972 43.7056 0.0000 174.1638 36 Q 4.1717 8.3211 122.8288 54.3074 29.7979 174.1042 37 P 4.5894 0.0000 0.0000 62.8091 32.0166 176.0901 38 I 3.9287 8.6056 122.9715 61.8269 37.3122 176.1301 39 T 4.4972 9.1754 115.9603 60.7561 71.0085 173.4131 40 N 4.4350 8.7188 115.3101 54.6165 35.0194 174.4122 41 C 4.4774 7.9626 114.6113 59.0555 29.5069 173.8075 42 V 4.0861 8.7166 117.8610 61.0577 32.3802 175.3344 43 K 4.5170 8.6527 125.3539 55.5386 33.0856 176.6046 44 M 4.2385 9.3266 125.9050 54.9288 33.1514 176.6426 45 L 4.3121 8.4132 124.5170 53.6811 41.3941 174.6743 46 C 4.9793 8.0131 120.8386 56.2281 32.4779 173.7141 47 T 4.1762 8.3380 107.6916 62.1682 69.0951 174.1046 48 H 4.0761 8.1643 117.9901 57.6333 25.5788 174.9308 49 T 4.5781 7.9521 104.8609 61.1820 69.4831 173.8467 50 G 3.9435 7.9337 112.0018 44.8965 0.0000 174.4061 51 T 3.8058 8.7445 109.9289 63.0535 68.4266 175.7328 52 G 4.4624 8.3047 108.6200 45.2766 0.0000 173.5190 53 Q 4.0840 7.4239 117.4074 55.2617 29.4123 175.9035 54 A 3.9416 8.3209 123.4505 54.7859 18.7040 177.3838 55 I 5.0571 7.4146 116.0807 59.7817 40.0832 174.5429 56 T 4.8217 8.8451 116.5978 59.7602 72.1948 175.3549 57 V 4.1530 8.6112 114.1917 63.0456 32.1024 176.6130 58 T 4.5719 7.5299 108.3337 58.6938 71.6133 171.7561 59 P 4.0640 0.0000 0.0000 63.7726 31.7491 176.0839 60 E 4.6433 9.0674 121.3029 55.7073 31.2980 175.5464 61 A 4.5739 7.6603 122.0175 52.4912 19.4213 178.0337 62 N 5.2635 8.4485 119.2004 52.4201 38.8164 175.0829 63 M 4.2370 8.7123 115.1277 58.2058 32.6770 176.4334 64 D 4.9751 9.6915 118.9754 54.0976 42.3942 175.7929 65 Q 5.1575 7.9102 117.6363 54.4066 33.8647 173.4281 66 E 4.9347 8.9433 117.8332 54.8860 34.0049 175.2394 67 S 5.1945 8.1882 117.6775 56.8684 65.6451 173.1498 68 F 5.1260 9.4402 123.3232 55.1459 42.6621 175.0052 69 G 3.6506 9.4253 110.2807 46.4284 0.0000 173.9194 70 G 3.9522 9.0419 112.2280 48.2065 0.0000 175.1472 71 A 3.9750 7.9119 121.7187 54.9501 18.3597 179.5960 72 S 4.0735 7.4543 111.7118 61.6167 63.3286 175.9874 73 C 4.6939 8.6454 117.5425 58.9694 28.8993 172.5201 74 C 4.4244 7.9879 121.3986 55.4433 41.9758 172.9311 75 L 3.4651 8.3702 130.9632 58.7726 41.4831 178.4364 76 Y 3.8616 7.4774 115.6859 61.0962 37.6326 178.8134 77 C 4.3467 7.9558 116.1072 59.6167 40.4866 175.6765 78 R 3.7355 7.8000 119.0735 58.3426 29.8040 177.7429 79 C 4.1281 7.5610 114.6307 59.0442 29.2691 172.7971 80 H 4.0464 7.9020 116.3699 56.8800 25.6467 174.0441 81 I 4.6017 7.1340 109.9212 58.5566 40.9082 174.5667 82 D 4.5250 8.4240 121.1148 54.8577 41.2472 175.2411 83 H 4.4645 8.0707 115.9807 53.0681 33.4521 173.0916 84 P 4.2789 0.0000 0.0000 62.9379 31.2702 179.6710 85 N 3.8690 9.6465 114.4932 53.9288 37.4786 175.9209 *89 F 3.8749 8.9729 122.6786 58.7630 40.8936 172.7838 90 C 3.5056 6.8863 120.3653 58.9756 26.2832 174.6867 91 D 4.7629 8.6552 123.9840 54.1488 39.3955 176.7453 92 L 4.3860 7.5818 120.3732 55.7777 43.2667 176.3953 93 K 3.9462 7.4261 120.1549 58.4579 32.1427 176.1495 94 G 3.9174 9.0592 115.1006 44.7615 0.0000 172.4165 95 K 4.5046 7.7906 119.0063 54.8985 35.5842 174.5651 96 Y 5.1385 8.9182 117.3933 56.6807 41.8977 175.1431 97 V 5.0287 9.0044 123.4544 61.4576 33.8427 174.3297 98 Q 5.1209 9.1567 127.8555 55.2319 30.0286 175.4904 99 I 4.2770 8.8603 124.1457 58.4215 41.5045 173.1289 100 P 4.6622 0.0000 0.0000 63.3680 31.9979 177.6771 101 T 3.8375 8.8924 120.8986 66.8131 68.6049 176.7766 102 T 3.9952 7.9503 110.1542 63.8466 68.9317 174.3234 103 C 4.5974 8.0401 118.2688 59.3100 29.3140 175.2984 104 A 4.1793 7.7264 119.9280 53.2594 17.4353 177.8894 105 N 4.7395 8.2571 115.3906 54.1284 38.5401 175.1938 106 D 4.7582 7.4412 118.1197 51.3344 41.8030 173.2484 107 P 4.0168 0.0000 0.0000 65.3646 31.5045 178.2777 108 V 4.1932 7.1505 117.9045 65.6348 31.3375 178.2768 109 G 3.7290 8.3879 106.2521 46.9779 0.0000 175.3772 110 F 3.8321 8.4388 123.4276 61.4017 39.1710 177.3578 111 T 3.9767 7.7455 107.6248 64.2278 68.6386 176.2208 112 L 4.2359 7.1034 121.2763 57.6354 41.9600 178.9942 113 R 4.0719 8.0081 116.7513 57.0914 30.2340 176.3319 114 N 4.9071 7.0466 115.0022 51.6940 41.0838 173.8692 115 T 4.9464 8.2310 114.6980 61.9651 72.7784 173.2907 116 V 4.2461 8.3073 124.8859 61.6976 32.9360 175.0011 117 C 4.4150 8.8386 129.4668 59.4984 31.8507 174.4982 118 T 4.0705 8.8449 116.7160 63.6178 68.9038 174.9915 119 V 4.0571 7.6413 120.6432 64.8918 32.8121 176.3465 120 C 4.1067 8.0835 118.0457 62.0119 31.6451 174.5934 121 G 3.8769 8.7779 107.4184 45.2708 0.0000 172.5715 122 M 4.8033 7.3084 118.5918 52.5964 34.8262 175.2207 123 W 4.8740 8.3929 120.2845 56.7458 29.8119 176.2576 124 K 4.3735 9.0023 123.6119 57.7419 31.8435 177.9258 125 G 3.8591 9.4741 111.2150 46.0948 0.0000 173.1147 126 Y 4.8647 8.4339 116.1222 55.7499 38.7878 174.3549 127 G 4.1618 8.5315 109.2351 46.2239 0.0000 173.2142 128 C 4.1393 8.1479 119.3970 60.4486 32.2267 173.3379 129 S 4.1008 8.7014 120.7862 59.2494 62.5769 172.1151 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 8.12 4.39 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.08 4.17 0.00 2.82 2.85 0.00 0.00 6.99 6.68 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 11 S 8.84 4.16 0.00 3.88 3.93 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 12 T 7.80 3.87 4.41 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 1.22 0.00 0.00 13 V 7.44 3.36 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 0.31 0.00 0.00 0.77 0.00 0.00 14 L 8.12 3.83 0.00 1.64 1.58 0.84 0.44 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 15 S 8.23 4.15 0.00 4.07 4.18 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 16 F 8.02 4.44 0.00 3.04 3.27 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 17 C 8.18 3.83 0.00 2.81 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 18 A 7.74 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.21 4.38 0.00 3.11 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 20 A 7.10 4.25 1.04 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 0.00 0.00 21 V 8.14 3.77 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 0.71 0.00 0.00 0.93 0.00 0.00 22 D 7.56 4.63 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 23 P 0.00 4.19 0.00 1.94 1.91 0.00 3.69 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 2.09 2.18 0.00 24 A 7.92 3.93 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 25 K 9.04 3.97 0.00 1.80 1.96 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.47 7.81 26 A 7.96 3.97 1.04 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 0.00 0.00 27 Y 8.31 4.36 0.00 2.91 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 28 K 8.31 3.83 0.00 2.02 1.98 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.46 7.81 29 D 8.20 4.36 0.00 3.03 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 30 Y 8.58 4.15 0.00 3.20 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 31 L 7.90 3.51 0.00 1.65 1.48 0.39 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.56 4.07 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 33 S 7.85 4.54 0.00 3.84 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 34 G 8.29 3.64 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 0.00 0.00 0.00 35 G 7.01 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 0.00 0.00 0.00 36 Q 8.32 4.17 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.83 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 37 P 0.00 4.59 0.00 2.24 2.29 0.00 3.77 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 2.06 2.15 0.00 38 I 8.61 3.93 1.76 0.00 0.00 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 1.25 0.52 0.81 0.00 0.00 39 T 9.18 4.50 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 1.28 0.00 0.00 40 N 8.72 4.44 0.00 2.92 3.08 0.00 0.00 6.83 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 41 C 7.96 4.48 0.00 2.88 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 42 V 8.72 4.09 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 0.78 0.00 0.00 1.06 0.00 0.00 43 K 8.65 4.52 0.00 1.60 1.60 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.74 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.64 1.00 7.81 44 M 9.33 4.24 0.00 1.64 1.89 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.87 0.00 45 L 8.41 4.31 0.00 1.55 1.57 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 46 C 8.01 4.98 0.00 2.96 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 47 T 8.34 4.18 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 1.19 0.00 0.00 48 H 8.16 4.08 0.00 3.33 3.59 0.00 5.64 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 7.95 4.58 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 1.27 0.00 0.00 50 G 7.93 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 51 T 8.74 3.81 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 1.26 0.00 0.00 52 G 8.30 4.46 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 53 Q 7.42 4.08 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 54 A 8.32 3.94 -0.19 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 0.00 0.00 55 I 7.41 5.06 1.80 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 1.47 0.60 0.92 0.00 0.00 56 T 8.85 4.82 4.29 0.00 0.00 0.00 0.00 0.00 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 57 V 8.61 4.15 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 0.77 0.00 0.00 0.97 0.00 0.00 58 T 7.53 4.57 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 1.23 0.00 0.00 59 P 0.00 4.06 0.00 1.82 1.82 0.00 3.23 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.11 0.00 60 E 9.07 4.64 0.00 1.99 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 2.52 2.37 0.00 61 A 7.66 4.57 1.10 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 0.00 0.00 62 N 8.45 5.26 0.00 2.84 2.96 0.00 0.00 6.14 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 63 M 8.71 4.24 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.64 0.00 64 D 9.69 4.98 0.00 2.59 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 65 Q 7.91 5.16 0.00 1.96 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.22 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.72 0.00 66 E 8.94 4.93 0.00 1.75 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 2.20 2.39 0.00 67 S 8.19 5.19 0.00 3.61 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 68 F 9.44 5.13 0.00 3.00 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 69 G 9.43 3.65 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 0.00 0.00 0.00 70 G 9.04 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 0.00 0.00 0.00 71 A 7.91 3.98 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 72 S 7.45 4.07 0.00 4.14 4.04 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 73 C 8.65 4.69 0.00 2.97 2.87 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 74 C 7.99 4.42 0.00 3.03 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 75 L 8.37 3.47 0.00 1.37 1.10 0.30 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 7.48 3.86 0.00 2.94 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 77 C 7.96 4.35 0.00 3.02 3.14 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 0.00 78 R 7.80 3.74 0.00 1.72 1.80 0.00 3.21 0.00 0.00 3.14 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 79 C 7.56 4.13 0.00 2.77 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 80 H 7.90 4.05 0.00 3.30 3.37 0.00 5.60 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 81 I 7.13 4.60 1.79 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.66 0.73 0.00 0.00 82 D 8.42 4.52 0.00 2.63 2.67 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 83 H 8.07 4.46 0.00 2.80 2.71 0.00 5.89 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 84 P 0.00 4.28 0.00 2.05 1.47 0.00 2.72 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.48 0.00 85 N 9.65 3.87 0.00 2.81 2.43 0.00 0.00 6.71 7.45 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 *89 F 8.97 3.87 0.00 2.89 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 90 C 6.89 3.51 0.00 3.01 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 91 D 8.66 4.76 0.00 2.78 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 92 L 7.58 4.39 0.00 1.73 1.75 1.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 93 K 7.43 3.95 0.00 1.74 1.95 0.00 2.05 0.00 0.00 1.98 0.00 0.00 3.10 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.51 1.46 7.81 94 G 9.06 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 95 K 7.79 4.50 0.00 1.75 1.93 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.35 7.81 96 Y 8.92 5.14 0.00 2.96 2.88 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 0.00 0.00 0.00 97 V 9.00 5.03 2.33 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 1.29 0.00 0.00 1.08 0.00 0.00 98 Q 9.16 5.12 0.00 2.27 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.36 0.00 0.00 0.00 0.00 0.00 2.57 2.47 0.00 99 I 8.86 4.28 2.01 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.97 0.23 0.00 0.00 100 P 0.00 4.66 0.00 1.80 2.03 0.00 2.20 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 2.09 0.00 101 T 8.89 3.84 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 1.26 0.00 0.00 102 T 7.95 4.00 4.29 0.00 0.00 0.00 0.00 0.00 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 0.00 103 C 8.04 4.60 0.00 2.52 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 0.00 104 A 7.73 4.18 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 0.00 105 N 8.26 4.74 0.00 2.80 2.96 0.00 0.00 6.54 7.70 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 0.00 106 D 7.44 4.76 0.00 2.74 2.54 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 0.00 107 P 0.00 4.02 0.00 1.65 1.15 0.00 3.44 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.40 0.00 108 V 7.15 4.19 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 0.99 0.00 0.00 0.80 0.00 0.00 109 G 8.39 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 0.00 0.00 0.00 110 F 8.44 3.83 0.00 3.08 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 0.00 111 T 7.75 3.98 4.47 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 1.45 0.00 0.00 112 L 7.10 4.24 0.00 1.90 1.79 0.92 0.94 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 0.00 113 R 8.01 4.07 0.00 1.54 1.85 0.00 3.06 0.00 0.00 3.18 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 114 N 7.05 4.91 0.00 1.69 2.52 0.00 0.00 6.76 7.27 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 0.00 115 T 8.23 4.95 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 1.27 0.00 0.00 116 V 8.31 4.25 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 0.49 0.00 0.00 0.17 0.00 0.00 117 C 8.84 4.42 0.00 3.07 2.87 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 0.00 118 T 8.84 4.07 4.23 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 1.20 0.00 0.00 119 V 7.64 4.06 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 0.81 0.00 0.00 0.93 0.00 0.00 120 C 8.08 4.11 0.00 2.98 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 0.00 121 G 8.78 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 122 M 7.31 4.80 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.66 0.00 123 W 8.39 4.87 0.00 3.90 3.38 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 0.00 124 K 9.00 4.37 0.00 2.10 1.88 0.00 1.72 0.00 0.00 1.78 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.50 7.81 125 G 9.47 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 126 Y 8.43 4.86 0.00 3.24 3.05 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 0.00 127 G 8.53 4.16 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 0.00 128 C 8.15 4.14 0.00 3.15 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 0.00 129 S 8.70 4.10 0.00 4.07 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 * Residues marked with a * may have inaccurate shift predictions.