NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.2049 8.1127 119.7086 57.0865 30.9941 176.1054 3 V 3.1524 8.6307 119.6028 62.3770 31.5708 172.7969 4 K 4.0047 9.3344 118.9896 59.8184 33.2306 176.7077 5 M 4.3328 7.4184 115.7686 54.9527 32.0932 174.2081 6 H 4.4868 8.3836 113.2971 56.0348 30.2215 175.3525 7 V 2.5703 6.6315 107.5562 60.9884 32.7227 178.4324 8 K 4.7462 7.6617 124.6838 54.9952 35.7851 174.8686 9 K 4.4174 8.5588 117.1698 56.0525 35.0651 175.2463 10 G 3.9500 7.5190 109.7367 44.3698 0.0000 172.3826 11 D 4.3872 7.7762 125.2760 53.5598 43.2398 174.5388 12 T 4.9204 8.5826 114.9611 62.7699 69.9360 174.8531 13 V 4.7239 9.3198 125.4572 61.0800 35.5312 173.8222 14 L 5.6858 8.9899 127.3912 52.7383 45.6247 175.5693 15 V 4.5750 8.0390 122.6564 61.4194 34.4942 175.2014 16 A 4.8226 7.9753 120.0425 51.3653 20.4248 177.5452 17 S 4.6023 8.0161 118.4264 59.5080 66.0722 172.1273 18 G 3.9966 7.6467 112.6574 46.3350 0.0000 177.7749 19 K 3.5653 8.1853 116.7893 58.0665 33.8515 173.4838 20 Y 4.2784 8.2632 122.7037 57.9398 38.9055 176.2114 21 K 3.8741 7.1423 121.0921 57.2161 32.5639 175.8692 22 G 4.3052 8.7934 114.4676 46.2751 0.0000 171.0867 23 R 4.6923 7.7167 121.1674 54.1882 35.0064 174.2855 24 V 4.0234 8.6952 124.0293 63.2611 32.1589 175.3389 25 G 4.1796 9.4421 115.1117 44.6343 0.0000 172.4622 26 K 4.3313 8.5126 124.5673 55.3684 34.4997 174.4608 27 V 3.9227 8.0847 118.9620 63.6148 30.2383 176.2604 28 K 4.1046 8.4112 126.1203 56.3130 33.5321 175.0368 29 E 3.9191 8.0530 119.3010 56.4390 25.3233 173.2404 30 V 3.8614 7.4405 121.0452 62.3644 34.4529 175.3988 31 L 4.0321 8.7613 126.8277 55.3520 39.9882 174.9020 32 P 4.8440 0.0000 0.0000 62.4860 33.9704 177.5454 33 K 3.9063 8.2745 118.0320 59.3708 32.1583 177.6082 34 K 4.1026 8.0907 116.3881 57.2421 33.2927 176.2253 35 Y 3.4860 8.5057 117.5943 58.1256 36.6064 165.9967 36 A 5.5159 7.0563 121.7643 50.9058 23.1242 175.2308 37 V 4.0881 8.0404 106.8841 63.4205 32.9066 176.6011 38 I 3.6442 8.1127 128.4956 58.6322 37.7679 178.3982 39 V 3.3305 8.2375 121.2107 63.7958 31.4084 173.8670 40 E 4.6300 9.0575 113.5727 56.7975 34.9707 175.7319 41 G 3.3536 7.5319 106.1359 46.7810 0.0000 174.3519 42 V 2.4413 5.4500 111.9673 63.9624 29.0009 174.8889 43 N 4.6358 7.6981 122.4503 51.4859 38.3548 174.7692 44 I 4.6829 7.7286 123.3770 59.4042 40.2563 175.1587 45 V 4.5387 7.8821 119.0471 61.6238 35.8550 172.6145 46 K 4.1887 8.6664 123.9297 56.0564 32.5310 178.9213 47 K 4.3479 8.4978 119.9616 56.7760 33.9531 179.0655 48 A 4.2457 7.0412 124.4345 53.1892 15.9761 178.0127 49 V 3.9433 7.7957 121.1123 62.1809 33.7460 177.0274 50 R 4.1776 7.5823 117.1961 57.6610 27.0106 178.2855 51 V 4.1118 8.2665 124.8379 63.8982 32.7106 175.6478 52 S 4.3092 7.3974 113.3467 57.6180 63.6259 173.7218 53 P 4.6415 0.0000 0.0000 61.4879 30.5638 177.0221 54 K 3.7473 7.9638 119.7774 56.9550 32.6539 176.1974 55 Y 3.4188 8.9313 114.9200 59.9694 36.0281 168.3605 56 P 3.6002 0.0000 0.0000 61.5622 35.6610 175.0724 57 Q 3.9603 9.0742 120.4462 58.2260 27.0756 178.5885 58 G 4.4788 7.8436 104.9229 45.8467 0.0000 171.2081 59 G 4.4136 8.5753 109.0110 44.5742 0.0000 172.2589 60 F 4.9265 8.7410 111.3010 56.1736 39.3325 174.0806 61 I 4.3898 7.4634 120.6427 60.5746 40.7519 177.4584 62 E 3.4260 8.1300 118.3568 57.2338 28.2687 172.3727 63 K 4.7666 8.0623 118.9868 55.5814 37.4134 178.3580 64 E 5.0832 8.6771 116.1177 54.4351 28.3855 179.2704 65 A 4.8479 9.1804 135.0000 54.3771 20.3415 177.3801 66 P 3.0030 0.0000 0.0000 58.6467 33.8764 170.8670 67 L 3.7953 7.8040 127.6833 54.3774 43.0324 173.7206 68 H 4.4681 8.7425 125.7367 56.2896 30.4496 176.3013 69 A 4.3244 8.8991 135.0000 51.1080 16.7894 177.2668 70 S 4.6523 7.5662 112.1872 59.2956 67.9306 175.1476 71 K 4.2921 8.4162 119.0773 57.9150 32.4177 176.7397 72 V 4.8185 7.4210 111.6867 60.5267 33.6128 175.6228 73 R 4.8391 9.2396 121.4172 53.9044 34.5960 173.4123 74 P 4.7957 0.0000 0.0000 63.1955 32.4799 174.9534 75 I 4.6545 7.5353 118.6547 60.8985 40.7753 174.0486 76 C 4.5828 8.5929 124.9491 60.0807 35.0049 171.8120 77 P 4.0767 0.0000 0.0000 64.4815 30.1752 174.0171 78 A 3.9897 8.5094 125.6136 50.6118 17.8279 175.1096 79 C 4.6113 8.4283 109.2661 58.3798 32.9048 174.0894 80 G 3.4531 9.3408 105.7097 47.0264 0.0000 172.1283 81 K 4.3612 9.0150 122.4987 55.7444 32.5067 175.2356 82 P 4.3892 0.0000 0.0000 63.5255 31.8503 175.3969 83 T 4.5941 8.0186 115.8357 62.8913 70.6806 174.6768 84 R 4.4251 7.9359 121.0416 55.9044 35.1596 174.2148 85 V 4.7916 8.2312 120.8968 63.2070 34.8141 174.9623 86 R 4.8795 8.3750 125.6896 54.5102 33.3856 173.6388 87 K 4.3452 8.5196 112.9292 57.5154 34.3433 178.3888 88 K 4.0766 8.4042 116.0756 55.7859 30.5879 176.4727 89 F 4.1655 10.0633 118.9225 57.7514 37.5069 173.5718 90 L 4.7466 7.5116 118.8420 56.0020 48.4801 174.2197 91 E 4.8464 7.6441 119.5913 55.0325 30.5573 176.2310 92 N 4.5967 8.7049 130.9453 54.6413 39.3638 174.5441 93 G 3.9790 9.0121 103.1072 44.3790 0.0000 171.7418 94 K 4.8874 7.9484 117.7803 54.4605 33.9978 176.3015 95 K 4.7907 8.1049 119.6499 54.9542 36.9068 175.6743 96 I 4.4205 8.4058 117.5037 60.1217 39.3429 175.4059 97 R 3.8266 9.1049 120.6672 59.1203 29.7218 178.5710 98 V 3.1983 7.8292 124.6639 63.9909 29.1931 173.6122 99 C 4.4367 7.6477 119.3695 58.5089 34.6271 172.8363 100 A 3.1303 8.7552 118.7579 53.8318 18.7562 174.0430 101 K 3.5832 8.3335 123.0276 57.5941 29.2886 176.7860 *102 C 4.3630 8.0794 118.8935 57.4497 28.5244 173.3835 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 R 8.11 4.20 0.00 1.87 1.95 0.00 3.41 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 3 V 8.63 3.15 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 0.97 0.00 0.00 0.94 0.00 0.00 4 K 9.33 4.00 0.00 1.98 2.00 0.00 1.68 0.00 0.00 1.77 0.00 0.00 3.17 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.65 1.42 7.81 5 M 7.42 4.33 0.00 2.17 2.07 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 2.60 2.49 0.00 6 H 8.38 4.49 0.00 3.23 3.58 0.00 5.75 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 6.63 2.57 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 0.74 0.00 0.00 1.00 0.00 0.00 8 K 7.66 4.75 0.00 1.65 1.70 0.00 1.61 0.00 0.00 1.72 0.00 0.00 3.18 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.31 1.42 7.81 9 K 8.56 4.42 0.00 1.77 1.69 0.00 1.58 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.28 1.41 7.81 10 G 7.52 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 11 D 7.78 4.39 0.00 2.76 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 12 T 8.58 4.92 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 1.21 0.00 0.00 13 V 9.32 4.72 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 0.84 0.00 0.00 0.92 0.00 0.00 14 L 8.99 5.69 0.00 1.70 1.47 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.04 4.57 2.38 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 1.05 0.00 0.00 1.01 0.00 0.00 16 A 7.98 4.82 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 17 S 8.02 4.60 0.00 4.06 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 18 G 7.65 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 19 K 8.19 3.57 0.00 2.05 2.14 0.00 1.97 0.00 0.00 1.95 0.00 0.00 3.06 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.38 1.52 7.81 20 Y 8.26 4.28 0.00 2.94 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 21 K 7.14 3.87 0.00 1.88 1.76 0.00 1.71 0.00 0.00 1.58 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.42 7.81 22 G 8.79 4.31 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 0.00 23 R 7.72 4.69 0.00 1.80 1.83 0.00 3.14 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.91 0.00 24 V 8.70 4.02 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 0.76 0.00 0.00 0.94 0.00 0.00 25 G 9.44 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 0.00 0.00 0.00 26 K 8.51 4.33 0.00 1.80 1.72 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.41 7.81 27 V 8.08 3.92 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 1.07 0.00 0.00 0.92 0.00 0.00 28 K 8.41 4.10 0.00 2.12 2.10 0.00 1.87 0.00 0.00 1.84 0.00 0.00 3.34 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.32 7.81 29 E 8.05 3.92 0.00 2.11 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 2.18 2.32 0.00 30 V 7.44 3.86 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 0.78 0.00 0.00 0.90 0.00 0.00 31 L 8.76 4.03 0.00 1.85 1.29 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.84 0.00 2.34 2.33 0.00 3.80 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 2.00 1.96 0.00 33 K 8.27 3.91 0.00 1.78 1.98 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.53 7.81 34 K 8.09 4.10 0.00 1.74 1.89 0.00 1.63 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.41 1.49 7.81 35 Y 8.51 3.49 0.00 3.07 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 36 A 7.06 5.52 1.23 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 37 V 8.04 4.09 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 0.64 0.00 0.00 1.00 0.00 0.00 38 I 8.11 3.64 1.96 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 1.14 0.94 0.91 0.00 0.00 39 V 8.24 3.33 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 0.71 0.00 0.00 0.90 0.00 0.00 40 E 9.06 4.63 0.00 1.98 1.92 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 2.22 2.24 0.00 41 G 7.53 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 0.00 0.00 0.00 42 V 5.45 2.44 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 0.74 0.00 0.00 0.75 0.00 0.00 43 N 7.70 4.64 0.00 2.96 2.77 0.00 0.00 6.90 7.25 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 44 I 7.73 4.68 1.87 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 1.34 0.57 0.94 0.00 0.00 45 V 7.88 4.54 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 0.55 0.00 0.00 0.93 0.00 0.00 46 K 8.67 4.19 0.00 1.66 1.40 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.79 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.30 1.30 7.81 47 K 8.50 4.35 0.00 1.96 1.99 0.00 1.56 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.41 7.81 48 A 7.04 4.25 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.80 3.94 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 0.99 0.00 0.00 1.02 0.00 0.00 50 R 7.58 4.18 0.00 1.98 1.49 0.00 3.26 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 51 V 8.27 4.11 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 0.84 0.00 0.00 0.92 0.00 0.00 52 S 7.40 4.31 0.00 3.92 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 53 P 0.00 4.64 0.00 1.99 2.05 0.00 3.66 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 54 K 7.96 3.75 0.00 1.48 1.21 0.00 1.96 0.00 0.00 1.93 0.00 0.00 3.17 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.36 7.81 55 Y 8.93 3.42 0.00 3.19 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 56 P 0.00 3.60 0.00 2.17 2.42 0.00 3.78 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 57 Q 9.07 3.96 0.00 2.18 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 58 G 7.84 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 0.00 0.00 0.00 0.00 59 G 8.58 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 0.00 0.00 0.00 0.00 60 F 8.74 4.93 0.00 2.89 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 61 I 7.46 4.39 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 1.47 0.66 0.93 0.00 0.00 62 E 8.13 3.43 0.00 1.96 1.82 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 2.07 2.25 0.00 63 K 8.06 4.77 0.00 1.64 1.65 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.31 1.42 7.81 64 E 8.68 5.08 0.00 1.89 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 2.43 2.50 0.00 65 A 9.18 4.85 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 66 P 0.00 3.00 0.00 2.22 2.08 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 67 L 7.80 3.80 0.00 1.80 1.60 0.91 0.82 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 68 H 8.74 4.47 0.00 3.24 3.22 0.00 5.74 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 69 A 8.90 4.32 0.41 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 70 S 7.57 4.65 0.00 4.13 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 71 K 8.42 4.29 0.00 1.90 1.92 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.63 1.45 7.81 72 V 7.42 4.82 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 0.68 0.00 0.00 0.90 0.00 0.00 73 R 9.24 4.84 0.00 1.67 1.76 0.00 3.14 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 74 P 0.00 4.80 0.00 2.07 2.05 0.00 3.78 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.96 0.00 75 I 7.54 4.65 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 1.36 1.56 0.98 0.00 0.00 76 C 8.59 4.58 0.00 2.90 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 77 P 0.00 4.08 0.00 2.25 2.02 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 78 A 8.51 3.99 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 79 C 8.43 4.61 0.00 3.03 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 80 G 9.34 3.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 K 9.02 4.36 0.00 1.96 2.14 0.00 1.81 0.00 0.00 1.96 0.00 0.00 3.02 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.25 1.34 7.81 82 P 0.00 4.39 0.00 2.09 2.01 0.00 3.72 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 83 T 8.02 4.59 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 84 R 7.94 4.43 0.00 1.84 1.73 0.00 3.13 0.00 0.00 3.10 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 85 V 8.23 4.79 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 0.94 0.00 0.00 86 R 8.38 4.88 0.00 1.77 1.81 0.00 3.25 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 87 K 8.52 4.35 0.00 1.96 2.01 0.00 1.76 0.00 0.00 1.92 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.58 7.81 88 K 8.40 4.08 0.00 1.98 2.13 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.51 7.81 89 F 10.06 4.17 0.00 2.98 3.41 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 90 L 7.51 4.75 0.00 1.74 1.71 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 91 E 7.64 4.85 0.00 1.94 1.17 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 2.23 2.36 0.00 92 N 8.70 4.60 0.00 2.59 2.26 0.00 0.00 7.07 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 93 G 9.01 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 0.00 0.00 0.00 94 K 7.95 4.89 0.00 1.65 1.85 0.00 1.80 0.00 0.00 0.72 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.29 7.81 95 K 8.10 4.79 0.00 1.66 1.64 0.00 1.67 0.00 0.00 1.87 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.51 1.44 7.81 96 I 8.41 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 1.38 0.91 0.91 0.00 0.00 97 R 9.10 3.83 0.00 1.92 2.04 0.00 3.08 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 98 V 7.83 3.20 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 0.76 0.00 0.00 0.93 0.00 0.00 99 C 7.65 4.44 0.00 2.91 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 0.00 100 A 8.76 3.13 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 0.00 101 K 8.33 3.58 0.00 1.89 2.00 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.28 1.41 7.81 *102 C 8.08 4.36 0.00 2.74 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 * Residues marked with a * may have inaccurate shift predictions.