NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 R 4.3209 8.2549 119.7052 55.9672 32.3685 176.1637 6 L 3.9861 7.7003 116.8770 52.0767 42.1854 174.2473 7 P 4.6775 0.0000 0.0000 61.8753 33.2868 175.9854 8 L 4.0773 8.4693 121.1480 55.2386 42.0914 177.3409 9 K 4.3834 8.1716 122.5286 54.4300 34.1882 174.1175 10 P 4.4897 0.0000 0.0000 62.6408 32.0618 175.8741 11 V 4.4271 8.0531 118.8532 60.9755 34.4625 174.2088 12 L 4.7589 8.5323 127.8914 53.2348 43.8923 175.1890 13 R 5.0509 8.4332 124.5630 54.6963 33.7890 173.8731 14 I 4.6490 9.0025 125.6407 59.4935 39.8538 174.7387 15 D 4.7983 8.8994 127.3855 54.4216 41.5150 176.9184 16 F 4.6576 8.9437 123.0195 54.5967 38.2935 173.3133 17 P 4.3872 0.0000 0.0000 61.7931 32.5714 174.3198 18 P 4.7277 0.0000 0.0000 62.5223 33.1220 176.0162 19 G 4.1379 8.8769 109.4554 45.4285 0.0000 173.5956 20 E 4.6827 7.7328 117.6162 55.3038 31.9259 175.7272 21 R 5.1881 8.5029 119.3278 54.7662 34.9344 174.8559 22 L 4.4553 9.5667 125.2604 53.4794 43.9412 174.1269 23 G 3.9854 8.1387 121.5189 43.8410 0.0000 172.6592 24 H 4.1623 9.1871 118.2635 59.1433 29.9390 178.1487 25 G 3.4825 7.9399 107.0831 47.8371 0.0000 175.7754 26 K 3.9607 7.7437 119.5802 58.7110 32.2456 179.3088 27 V 3.4815 7.5249 118.0467 65.7469 31.6704 177.3031 28 E 4.0240 8.2138 119.4483 59.0616 29.3138 179.3000 29 L 3.9410 7.5976 117.4223 55.9039 42.0229 178.1598 *31 Q 4.1754 8.0573 120.1565 55.5850 30.9702 177.1974 32 L 4.0475 8.3006 118.2175 57.5077 41.4880 179.4588 33 I 3.6524 8.0111 119.8735 64.4363 36.8803 178.0008 34 A 3.9983 8.0088 119.5358 55.4450 18.1221 178.8343 35 E 4.2189 7.8031 115.4467 58.0594 29.9081 178.0867 36 T 4.5200 7.9794 107.8793 60.5120 70.7571 175.5142 37 G 4.0076 9.5463 109.7485 46.2113 0.0000 172.7336 38 S 4.9097 7.7161 113.6822 55.7139 67.3462 175.1760 39 I 3.7364 8.4604 125.1745 64.5662 37.0248 178.9785 40 S 4.4412 8.2733 114.5522 61.4996 63.0830 176.1178 41 A 4.0163 8.3221 124.4168 54.8071 17.8769 179.4818 42 A 4.0356 7.9257 118.4511 55.1256 18.5197 179.7690 43 G 3.7229 8.2794 103.6623 48.0455 0.0000 175.7018 44 R 4.1650 7.9327 119.3250 58.7642 30.1393 179.8724 45 A 4.1159 7.7165 116.8669 52.0336 19.7287 177.5936 *47 D 4.2144 7.8272 120.3291 55.4726 41.5633 175.0899 *49 S 4.3410 7.6136 117.6746 57.4900 65.8783 173.9458 50 Y 4.0107 8.4659 123.0358 60.8287 38.5575 178.3044 51 R 3.9553 8.1745 119.0722 59.6198 30.2332 178.2794 52 R 3.9323 7.7655 117.5537 59.4405 30.1575 178.8133 53 A 3.9250 7.8426 120.1753 55.0325 18.2990 179.5395 54 W 3.7962 8.4416 127.1252 60.3453 30.6275 178.3035 55 L 4.0525 8.1705 119.2189 57.4008 40.9376 179.4069 56 L 3.8618 7.8852 119.1791 57.7018 41.5283 179.5025 57 V 3.3801 7.5277 118.1242 66.0549 31.1336 177.5927 58 D 3.8902 7.4576 116.2879 56.8860 41.2572 177.7027 59 A 4.0484 7.9973 121.4490 55.2514 18.2150 179.3983 60 L 3.9194 7.7088 116.1556 58.1470 41.8538 179.0366 61 N 4.6313 8.0497 112.9606 53.9852 39.8623 175.0209 62 H 4.7196 7.5910 117.0341 54.2872 28.9300 172.0865 *64 F 4.5490 7.3860 119.7517 57.1342 40.4587 176.7410 65 R 4.0734 8.4232 119.5210 58.0684 29.9588 176.5835 66 Q 4.5526 7.1524 114.1283 53.7262 31.6931 172.6506 67 P 4.4035 0.0000 0.0000 62.9116 32.1588 176.8436 68 V 4.1137 8.6180 120.9465 64.6603 33.0172 175.7292 69 I 5.2779 8.2902 119.9374 59.4424 40.6160 174.8899 70 C 5.0847 8.9565 120.4197 55.9324 33.3433 173.4723 71 S 4.7007 8.7272 115.2988 58.8345 62.7653 173.6911 72 Q 4.3819 8.8965 122.4521 56.3822 31.7647 176.2228 *79 G 3.8958 7.8129 105.5232 45.8098 0.0000 170.8097 80 G 4.0019 8.0197 107.3949 43.7049 0.0000 172.0171 81 A 5.2699 9.1779 123.7457 50.6072 23.3043 174.8380 82 A 4.6016 8.9769 120.5022 50.1926 23.4945 175.5949 83 L 4.6295 8.3617 119.2162 54.7629 42.6441 177.6493 84 T 4.2947 8.5340 113.7034 61.0264 70.4874 175.9485 85 V 3.5697 8.5105 121.3745 64.9264 31.1512 177.9202 86 F 4.1789 8.3458 121.0161 60.9365 39.2292 177.0346 87 G 3.3892 8.2802 105.1078 47.8548 0.0000 175.5298 88 A 3.9603 8.1577 123.5027 54.4660 18.2162 179.2988 89 E 3.8196 7.7315 117.7793 58.7775 29.6171 178.3687 90 L 3.5469 7.4891 120.9249 58.0112 42.0272 178.7950 91 L 3.8876 7.6707 119.9275 58.3210 42.0566 178.8276 92 E 4.0053 8.0893 118.4906 59.2418 29.0894 179.3712 93 R 3.8854 7.9980 118.6456 59.5208 30.2338 177.6408 94 Y 4.1464 8.1759 118.7761 60.7020 39.1988 177.7918 95 R 4.5105 7.7650 120.6324 58.4222 30.0299 179.9083 96 G 3.7160 8.0133 103.5607 45.1404 0.0000 175.2057 *98 E 4.1023 8.1680 122.0136 56.0939 31.8050 178.3321 99 E 4.0006 8.0541 117.6763 59.7277 29.7443 180.6057 100 R 4.1732 8.0701 115.2344 57.0979 29.7945 178.3535 *102 N 4.6741 8.2817 117.6447 53.5209 40.1988 176.8455 103 E 3.9082 8.3756 117.4067 59.3384 29.2785 179.2652 104 A 4.0803 7.9164 119.8278 54.3822 18.6270 178.6388 105 L 4.4400 7.2907 115.1254 54.6900 41.9531 178.4800 106 R 3.8842 7.5687 120.3141 59.7112 30.0607 178.2887 107 E 4.0385 8.1901 117.7588 59.5786 29.4684 179.0498 108 D 4.4294 8.0297 118.4292 57.4329 40.9554 178.6461 109 I 3.8126 8.2010 120.7379 64.4082 37.0676 178.1673 110 D 4.3925 8.2427 119.7934 57.1639 40.6781 178.6734 111 W 4.1146 8.3534 128.7842 60.3840 30.4879 177.8662 112 L 3.9168 8.1221 117.8227 57.9929 41.2935 178.9898 113 E 4.0549 8.5924 118.5245 59.5103 29.1798 179.4283 114 A 3.9434 7.8744 119.6170 54.6107 18.5033 178.4565 115 N 4.3671 7.3659 112.1292 52.3907 39.2043 175.6712 116 R 3.9469 6.7269 121.6072 55.6080 30.8086 175.5587 117 N 4.3997 8.4975 122.5775 52.8675 39.3351 172.7574 118 P 4.1921 0.0000 0.0000 64.4885 31.7260 176.0020 119 Q 4.1436 8.2663 121.8810 56.1226 29.4810 172.4988 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 5 R 8.25 4.32 0.00 1.79 2.06 0.00 3.22 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 6 L 7.70 3.99 0.00 1.69 1.60 0.92 0.73 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 7 P 0.00 4.68 0.00 2.18 2.04 0.00 3.78 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 1.99 1.98 0.00 8 L 8.47 4.08 0.00 1.67 1.67 0.96 0.73 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 9 K 8.17 4.38 0.00 1.66 1.66 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.43 7.81 10 P 0.00 4.49 0.00 2.22 2.04 0.00 3.77 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 2.17 1.95 0.00 11 V 8.05 4.43 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 0.89 0.00 0.00 0.99 0.00 0.00 12 L 8.53 4.76 0.00 1.53 1.41 0.93 0.50 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 13 R 8.43 5.05 0.00 1.89 1.80 0.00 3.29 0.00 0.00 3.28 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.86 0.00 14 I 9.00 4.65 2.21 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.64 0.92 0.00 0.00 15 D 8.90 4.80 0.00 2.58 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 16 F 8.94 4.66 0.00 2.73 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 17 P 0.00 4.39 0.00 2.03 1.99 0.00 3.59 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 18 P 0.00 4.73 0.00 2.21 2.16 0.00 3.74 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 2.01 1.95 0.00 19 G 8.88 4.14 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 0.00 0.00 0.00 20 E 7.73 4.68 0.00 2.06 1.78 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 2.22 2.32 0.00 21 R 8.50 5.19 0.00 1.67 1.81 0.00 3.14 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 22 L 9.57 4.46 0.00 1.53 1.76 0.86 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.14 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 24 H 9.19 4.16 0.00 3.24 3.33 0.00 5.68 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.94 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 0.00 0.00 0.00 26 K 7.74 3.96 0.00 1.61 1.76 0.00 1.77 0.00 0.00 1.52 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.41 7.81 27 V 7.52 3.48 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 0.59 0.00 0.00 -0.13 0.00 0.00 28 E 8.21 4.02 0.00 1.89 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 29 L 7.60 3.94 0.00 1.79 1.78 0.85 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 *31 Q 8.06 4.18 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.62 6.69 0.00 0.00 0.00 0.00 0.00 2.31 2.55 0.00 32 L 8.30 4.05 0.00 1.79 1.68 0.95 0.76 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 33 I 8.01 3.65 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.59 0.89 0.00 0.00 34 A 8.01 4.00 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 35 E 7.80 4.22 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 2.31 2.52 0.00 36 T 7.98 4.52 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 1.25 0.00 0.00 37 G 9.55 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 38 S 7.72 4.91 0.00 4.02 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 39 I 8.46 3.74 2.05 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 1.65 0.65 0.64 0.00 0.00 40 S 8.27 4.44 0.00 4.26 4.40 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 41 A 8.32 4.02 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 42 A 7.93 4.04 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 43 G 8.28 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 0.00 0.00 0.00 44 R 7.93 4.16 0.00 1.99 2.04 0.00 3.21 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.95 0.00 45 A 7.72 4.12 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 *47 D 7.83 4.21 0.00 2.67 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 *49 S 7.61 4.34 0.00 4.18 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 50 Y 8.47 4.01 0.00 3.15 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 51 R 8.17 3.96 0.00 1.99 1.97 0.00 3.26 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 52 R 7.77 3.93 0.00 1.86 1.98 0.00 3.20 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 53 A 7.84 3.92 1.28 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 0.00 0.00 0.00 54 W 8.44 3.80 0.00 2.85 3.22 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 55 L 8.17 4.05 0.00 1.98 1.74 1.01 0.60 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 56 L 7.89 3.86 0.00 1.80 1.62 0.86 0.72 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 57 V 7.53 3.38 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 0.78 0.00 0.00 0.78 0.00 0.00 58 D 7.46 3.89 0.00 1.68 2.46 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 59 A 8.00 4.05 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 60 L 7.71 3.92 0.00 1.72 1.77 0.84 1.38 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 61 N 8.05 4.63 0.00 2.49 2.68 0.00 0.00 6.87 7.79 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 62 H 7.59 4.72 0.00 3.02 3.17 0.00 5.88 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *64 F 7.39 4.55 0.00 3.40 2.91 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 0.00 0.00 0.00 65 R 8.42 4.07 0.00 1.68 1.91 0.00 3.17 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 66 Q 7.15 4.55 0.00 2.17 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.86 0.00 0.00 0.00 0.00 0.00 1.66 2.23 0.00 67 P 0.00 4.40 0.00 2.07 2.00 0.00 3.66 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 68 V 8.62 4.11 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 0.91 0.00 0.00 1.17 0.00 0.00 69 I 8.29 5.28 1.79 0.00 0.00 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 1.23 0.73 0.86 0.00 0.00 70 C 8.96 5.08 0.00 2.95 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 71 S 8.73 4.70 0.00 3.95 3.97 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 72 Q 8.90 4.38 0.00 1.96 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.46 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 *79 G 7.81 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 80 G 8.02 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 81 A 9.18 5.27 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 82 A 8.98 4.60 1.19 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 83 L 8.36 4.63 0.00 1.50 1.61 0.85 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 84 T 8.53 4.29 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 85 V 8.51 3.57 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 0.79 0.00 0.00 0.95 0.00 0.00 86 F 8.35 4.18 0.00 3.16 3.10 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 87 G 8.28 3.39 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 0.00 88 A 8.16 3.96 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 E 7.73 3.82 0.00 2.13 1.77 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 2.23 2.25 0.00 90 L 7.49 3.55 0.00 0.64 1.31 0.65 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 91 L 7.67 3.89 0.00 1.70 1.55 0.86 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.09 4.01 0.00 2.07 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 2.43 2.43 0.00 93 R 8.00 3.89 0.00 1.89 2.09 0.00 3.30 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 94 Y 8.18 4.15 0.00 2.97 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 95 R 7.77 4.51 0.00 2.02 1.98 0.00 3.49 0.00 0.00 3.51 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.68 0.00 96 G 8.01 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 0.00 0.00 0.00 *98 E 8.17 4.10 0.00 2.13 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 1.95 1.83 0.00 99 E 8.05 4.00 0.00 2.17 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 2.30 2.54 0.00 100 R 8.07 4.17 0.00 1.88 1.91 0.00 3.13 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 *102 N 8.28 4.67 0.00 2.93 2.89 0.00 0.00 7.04 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 0.00 103 E 8.38 3.91 0.00 2.00 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 2.32 2.50 0.00 104 A 7.92 4.08 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 0.00 105 L 7.29 4.44 0.00 1.81 1.69 0.92 0.72 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 0.00 106 R 7.57 3.88 0.00 2.13 1.93 0.00 3.11 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 1.64 1.68 0.00 107 E 8.19 4.04 0.00 2.05 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 2.42 2.42 0.00 108 D 8.03 4.43 0.00 2.88 2.74 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 0.00 109 I 8.20 3.81 2.02 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 1.73 0.95 0.94 0.00 0.00 110 D 8.24 4.39 0.00 3.05 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 0.00 111 W 8.35 4.11 0.00 3.41 3.39 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 0.00 112 L 8.12 3.92 0.00 1.95 1.77 1.02 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 113 E 8.59 4.05 0.00 2.08 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 2.49 2.49 0.00 114 A 7.87 3.94 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 0.00 115 N 7.37 4.37 0.00 2.07 2.46 0.00 0.00 6.99 7.82 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 0.00 116 R 6.73 3.95 0.00 1.91 1.80 0.00 3.24 0.00 0.00 3.12 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.53 0.00 117 N 8.50 4.40 0.00 2.67 2.70 0.00 0.00 7.03 7.69 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 0.00 118 P 0.00 4.19 0.00 2.05 2.10 0.00 3.66 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 119 Q 8.27 4.14 0.00 2.17 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.65 0.00 0.00 0.00 0.00 0.00 2.17 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.