NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.1366 8.0433 120.5388 54.6060 43.9190 175.1187 5 D 4.9665 8.1085 119.8252 53.0462 42.2218 174.7369 6 Y 4.8580 9.7805 121.4131 56.8864 42.1206 175.4845 7 H 5.0277 9.0452 117.4754 55.1879 31.0773 173.3778 8 A 4.5952 8.2543 122.7154 51.7486 19.2699 178.8791 9 C 3.8716 8.2524 120.5545 55.0905 41.8975 174.0034 10 G 2.4953 6.4435 112.8993 43.1737 0.0000 169.0969 11 G 3.9996 7.0876 103.4727 43.3244 0.0000 173.1222 12 R 4.8914 8.2016 119.2757 54.8841 30.7917 176.1724 13 L 4.6894 8.7482 125.2275 53.3802 44.2834 176.2929 14 T 5.0486 8.1191 117.9221 61.2762 71.4960 172.7291 15 D 4.5995 8.6462 123.2604 53.5857 43.7074 175.2837 16 D 4.5769 8.7873 124.4768 57.1653 42.3487 175.3758 17 Y 5.0091 8.3432 119.6617 56.2976 41.2441 174.6610 18 G 3.7992 8.2723 114.1217 44.3326 0.0000 170.8693 19 T 4.7722 8.6200 118.5023 61.4795 71.9135 173.0430 20 I 4.5473 8.5635 128.5803 60.1882 38.6476 175.3550 21 F 5.0867 8.8328 125.3847 55.1385 42.3353 175.3119 22 T 2.6243 8.1105 116.1447 64.2106 68.5719 173.3108 23 Y 4.5792 8.7274 128.3279 57.3549 39.3789 175.1587 24 K 4.1185 8.1264 125.1022 55.9405 32.8786 176.4960 25 G 3.5731 5.3800 108.6479 43.8388 0.0000 172.0078 26 P 4.4195 0.0000 0.0000 64.7638 31.4942 177.2126 27 K 4.2235 8.4657 119.8419 56.8804 32.4096 176.8101 28 T 4.5757 8.5111 112.0044 62.0749 70.3527 173.6165 29 E 5.0010 7.8841 123.1190 55.0855 32.8464 174.7748 30 C 4.6808 9.4226 123.9659 54.9820 44.4343 173.4264 31 V 4.7284 7.5301 115.0096 59.3403 35.0291 174.2252 32 W 5.1040 9.4416 126.2874 55.2510 31.5105 175.0817 33 T 4.8213 9.0479 122.2523 61.9549 69.9972 173.4855 34 L 4.7398 8.6821 127.5355 53.2910 42.9501 176.1852 35 Q 4.9490 8.9716 122.6410 54.3954 32.3113 174.8829 36 V 4.5657 8.5867 120.1811 60.3085 35.1921 173.3885 37 D 4.4085 8.8821 121.3782 54.0684 41.1472 175.3409 38 P 4.4927 0.0000 0.0000 64.9233 31.5799 177.4053 39 K 3.9209 7.9224 118.6454 58.0571 32.2340 175.8512 40 Y 4.8072 8.0678 115.3106 56.0994 40.9191 174.6200 41 K 4.7583 8.4143 119.6915 55.0387 35.5920 175.2789 42 L 5.1000 9.2035 122.8011 53.3675 44.1379 175.4500 43 L 5.0810 8.9851 125.4927 53.4523 44.3922 174.9299 44 V 4.8606 9.0489 127.3044 61.2291 33.9407 174.1975 45 S 5.0039 9.5169 122.4887 56.6787 65.3092 172.8424 46 I 4.5502 8.4580 128.0901 58.6130 37.3554 172.7387 47 P 4.3706 0.0000 0.0000 63.0944 32.5396 177.5052 48 T 3.4325 8.3741 108.9835 62.6514 68.0210 171.4702 49 L 4.2658 8.1194 129.2439 55.6241 44.0146 176.1464 50 N 5.2355 8.6193 123.5837 52.3474 39.2391 172.8723 51 L 4.7209 9.3750 124.3568 52.8556 45.0503 176.9579 52 T 4.2830 8.7680 117.0168 62.3517 67.1024 173.6736 53 C 4.3462 8.5451 123.3315 58.7865 40.8094 173.2574 54 G 4.0148 9.2751 111.2876 45.1674 0.0000 174.1924 55 K 4.5841 8.0867 117.3078 56.2594 33.5942 175.4979 56 E 5.0080 7.7698 114.3052 55.8315 31.9317 173.5434 57 Y 5.0414 7.6498 116.8522 56.3937 41.9447 173.0789 58 V 5.0216 9.0926 120.5628 61.1797 34.5032 173.8678 59 E 5.0386 9.6990 128.3022 54.3767 33.1687 174.2007 60 V 4.8598 8.4649 126.3740 61.3128 33.6017 174.2493 61 L 5.1252 8.9084 128.0183 52.8026 43.9909 177.2820 62 E 3.8995 9.3756 124.3034 58.9349 29.8718 176.8127 63 G 3.9520 8.5063 109.8489 44.8418 0.0000 172.8402 64 A 4.3057 8.7783 126.6871 51.0543 19.2400 175.0101 65 P 4.3337 0.0000 0.0000 64.6319 31.6487 177.4189 66 G 3.9272 8.9582 110.8760 45.1647 0.0000 173.5553 67 S 4.4307 7.6240 114.2520 56.7089 64.6451 173.4608 68 K 3.9203 8.4231 121.3799 57.0571 32.7259 175.3575 69 S 4.6503 8.6009 122.7472 58.0403 62.4157 173.7344 70 L 4.2665 9.1430 128.2178 55.9634 42.4125 177.3308 71 G 3.9280 7.0187 106.4443 45.9016 0.0000 171.9939 72 K 4.6326 7.6540 119.0754 54.2657 35.4027 175.7969 73 F 5.1937 9.0149 122.3482 56.4904 43.7052 172.6958 74 C 5.0233 9.1310 111.7555 55.1596 43.3334 173.6685 75 E 5.6810 7.6811 117.1019 53.3936 33.4135 174.6702 76 G 4.5509 8.2850 116.5871 45.2590 0.0000 173.0749 77 L 4.0045 8.0450 127.6531 58.1817 43.2912 176.9488 78 S 4.7553 7.6720 111.5248 57.2272 65.5825 173.5010 79 I 4.4434 8.2858 128.1093 59.3052 39.9112 174.2091 80 L 5.2638 8.5298 128.4407 53.3182 44.8365 175.1547 81 N 5.1675 9.4467 122.4649 51.4684 43.3833 173.2903 82 R 4.9375 8.7611 121.7915 54.8799 32.5546 174.3758 83 G 4.3220 9.3772 113.9212 45.1207 0.0000 170.7383 84 S 5.1698 8.4036 114.5170 56.1323 66.4248 173.8424 85 S 4.1076 8.6959 115.4707 59.6147 62.5770 175.1041 *87 G 4.3051 8.6776 111.7365 45.8975 0.0000 172.6892 88 M 4.5868 7.8732 121.4743 55.9688 33.6248 175.0300 89 T 5.1965 8.4352 114.8045 59.8988 72.3738 172.6568 90 V 4.9112 8.8491 124.1409 61.1467 34.3182 174.1842 91 K 5.2147 9.4990 128.5284 54.7921 35.6327 173.8787 92 Y 5.1017 9.3113 127.9112 55.6754 41.9364 174.1069 93 K 4.5701 7.3767 126.5006 54.4984 35.9218 174.9428 94 R 4.9901 8.4401 122.0570 54.4055 33.1703 174.3454 95 D 4.6900 8.7558 119.6920 53.6879 42.3103 176.6416 96 S 4.2983 8.5667 118.1211 60.3710 63.2785 175.1361 97 G 3.9304 9.1492 112.6849 45.3305 0.0000 172.2610 98 H 4.8356 7.7805 119.9047 53.1333 31.2730 171.9962 99 P 4.3462 0.0000 0.0000 62.0302 31.9039 176.0831 100 A 4.4935 8.5143 124.3466 52.1905 18.8429 177.3681 101 S 4.6506 8.7826 118.5068 56.7878 64.1501 172.6772 102 P 4.2517 0.0000 0.0000 62.8589 31.5064 175.4204 103 Y 5.0339 8.0595 120.6343 55.8561 41.8933 174.4555 104 E 4.5292 8.6902 119.7179 55.6029 32.2708 173.8535 105 I 4.5344 8.4740 128.4778 59.4639 40.3754 174.6709 106 I 5.0697 8.8539 127.9280 59.3469 39.9114 174.5557 107 F 5.5337 8.5286 121.5465 55.1186 40.9418 174.1236 108 L 5.2597 8.9710 120.5604 52.9091 46.4465 175.4647 109 R 4.3226 8.8130 123.6808 56.1158 30.6588 175.5616 110 D 4.6236 9.0475 127.9389 54.1480 41.1739 175.2263 111 S 4.7079 8.3853 119.0225 57.5003 65.2909 173.6116 112 Q 4.5286 8.2207 121.4876 55.4608 30.0330 176.2385 113 G 3.7771 7.7508 112.1769 46.3192 0.0000 173.3609 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 4 L 8.04 4.14 0.00 1.52 1.21 0.83 0.72 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 5 D 8.11 4.97 0.00 2.67 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 6 Y 9.78 4.86 0.00 3.07 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 7 H 9.05 5.03 0.00 3.21 3.37 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 A 8.25 4.60 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.25 3.87 0.00 1.23 2.36 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 10 G 6.44 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.09 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 12 R 8.20 4.89 0.00 1.69 1.89 0.00 3.17 0.00 0.00 3.21 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 13 L 8.75 4.69 0.00 1.17 1.27 0.30 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.12 5.05 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 1.28 0.00 0.00 15 D 8.65 4.60 0.00 2.93 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 16 D 8.79 4.58 0.00 2.67 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 17 Y 8.34 5.01 0.00 2.74 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 18 G 8.27 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.62 4.77 4.20 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 0.45 0.00 0.00 20 I 8.56 4.55 1.44 0.00 0.00 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 0.80 0.84 -0.15 0.00 0.00 21 F 8.83 5.09 0.00 2.75 2.86 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 22 T 8.11 2.62 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 1.02 0.00 0.00 23 Y 8.73 4.58 0.00 3.18 3.12 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 0.00 0.00 0.00 24 K 8.13 4.12 0.00 1.59 1.65 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.24 1.44 7.81 25 G 5.38 3.57 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 0.00 0.00 0.00 26 P 0.00 4.42 0.00 2.25 2.23 0.00 3.87 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 2.10 2.04 0.00 27 K 8.47 4.22 0.00 1.80 1.77 0.00 1.47 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.49 7.81 28 T 8.51 4.58 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 1.27 0.00 0.00 29 E 7.88 5.00 0.00 1.84 1.72 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 2.05 2.19 0.00 30 C 9.42 4.68 0.00 2.19 1.71 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 31 V 7.53 4.73 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 0.72 0.00 0.00 0.77 0.00 0.00 32 W 9.44 5.10 0.00 3.17 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 33 T 9.05 4.82 4.20 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 1.18 0.00 0.00 34 L 8.68 4.74 0.00 1.29 1.09 0.63 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 8.97 4.95 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.61 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 36 V 8.59 4.57 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 0.68 0.00 0.00 1.04 0.00 0.00 37 D 8.88 4.41 0.00 2.83 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 38 P 0.00 4.49 0.00 2.08 2.13 0.00 3.76 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 39 K 7.92 3.92 0.00 1.50 1.43 0.00 1.16 0.00 0.00 1.41 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.86 1.16 7.81 40 Y 8.07 4.81 0.00 3.06 2.85 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 41 K 8.41 4.76 0.00 1.72 1.84 0.00 1.69 0.00 0.00 1.95 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.42 7.81 42 L 9.20 5.10 0.00 1.73 1.64 0.93 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.99 5.08 0.00 1.74 1.52 1.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 44 V 9.05 4.86 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 0.97 0.00 0.00 1.00 0.00 0.00 45 S 9.52 5.00 0.00 3.82 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.46 4.55 1.72 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 1.26 0.61 0.87 0.00 0.00 47 P 0.00 4.37 0.00 2.06 2.02 0.00 3.86 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 1.97 1.94 0.00 48 T 8.37 3.43 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 49 L 8.12 4.27 0.00 1.81 1.57 1.02 0.37 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 50 N 8.62 5.24 0.00 2.74 2.71 0.00 0.00 7.05 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 51 L 9.38 4.72 0.00 1.71 1.77 1.14 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.77 4.28 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 1.21 0.00 0.00 53 C 8.55 4.35 0.00 2.99 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 54 G 9.28 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 55 K 8.09 4.58 0.00 1.64 1.54 0.00 1.69 0.00 0.00 1.58 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.25 7.81 56 E 7.77 5.01 0.00 2.02 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 2.39 2.40 0.00 57 Y 7.65 5.04 0.00 3.17 3.02 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 58 V 9.09 5.02 2.37 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 1.19 0.00 0.00 0.97 0.00 0.00 59 E 9.70 5.04 0.00 2.19 1.91 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 2.21 2.32 0.00 60 V 8.46 4.86 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 0.98 0.00 0.00 1.21 0.00 0.00 61 L 8.91 5.13 0.00 1.68 1.53 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 62 E 9.38 3.90 0.00 1.99 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 2.33 2.28 0.00 63 G 8.51 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 64 A 8.78 4.31 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 P 0.00 4.33 0.00 2.02 1.99 0.00 3.63 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 1.99 2.07 0.00 66 G 8.96 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 0.00 0.00 0.00 67 S 7.62 4.43 0.00 3.98 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 68 K 8.42 3.92 0.00 1.85 1.74 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.44 7.81 69 S 8.60 4.65 0.00 3.92 3.70 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 70 L 9.14 4.27 0.00 1.73 1.76 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 71 G 7.02 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 0.00 0.00 0.00 72 K 7.65 4.63 0.00 1.18 1.17 0.00 1.19 0.00 0.00 0.61 0.00 0.00 2.60 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.90 1.07 7.81 73 F 9.01 5.19 0.00 2.97 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 74 C 9.13 5.02 0.00 3.15 3.57 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 75 E 7.68 5.68 0.00 1.97 1.87 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 2.27 2.32 0.00 76 G 8.28 4.55 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 77 L 8.05 4.00 0.00 1.78 1.66 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 78 S 7.67 4.76 0.00 3.84 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 79 I 8.29 4.44 1.56 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.48 0.55 0.00 0.00 80 L 8.53 5.26 0.00 1.55 1.47 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 81 N 9.45 5.17 0.00 2.70 2.66 0.00 0.00 6.17 7.26 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 82 R 8.76 4.94 0.00 1.79 1.80 0.00 3.21 0.00 0.00 3.31 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 83 G 9.38 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 0.00 0.00 0.00 0.00 84 S 8.40 5.17 0.00 3.78 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 85 S 8.70 4.11 0.00 3.99 3.78 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 *87 G 8.68 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 88 M 7.87 4.59 0.00 2.20 1.95 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 2.76 2.48 0.00 89 T 8.44 5.20 4.37 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 1.27 0.00 0.00 90 V 8.85 4.91 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 0.95 0.00 0.00 91 K 9.50 5.21 0.00 1.82 1.65 0.00 1.63 0.00 0.00 1.83 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.26 1.29 7.81 92 Y 9.31 5.10 0.00 3.09 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 93 K 7.38 4.57 0.00 0.86 0.74 0.00 1.51 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.08 1.37 7.81 94 R 8.44 4.99 0.00 1.87 1.78 0.00 3.43 0.00 0.00 3.61 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.67 0.00 95 D 8.76 4.69 0.00 2.66 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 96 S 8.57 4.30 0.00 3.88 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 97 G 9.15 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 0.00 0.00 0.00 98 H 7.78 4.84 0.00 3.14 3.41 0.00 5.96 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 P 0.00 4.35 0.00 2.19 2.02 0.00 3.68 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.92 0.00 100 A 8.51 4.49 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 0.00 101 S 8.78 4.65 0.00 4.15 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 0.00 102 P 0.00 4.25 0.00 2.06 1.97 0.00 3.67 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 2.03 2.05 0.00 103 Y 8.06 5.03 0.00 2.83 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 0.00 104 E 8.69 4.53 0.00 1.91 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 1.93 0.00 105 I 8.47 4.53 1.66 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.49 0.88 0.00 0.00 106 I 8.85 5.07 1.86 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 1.29 0.80 1.00 0.00 0.00 107 F 8.53 5.53 0.00 3.08 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 0.00 108 L 8.97 5.26 0.00 1.52 1.46 0.76 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 109 R 8.81 4.32 0.00 1.78 1.75 0.00 2.42 0.00 0.00 3.01 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.49 0.00 110 D 9.05 4.62 0.00 2.73 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 0.00 111 S 8.39 4.71 0.00 3.55 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.22 4.53 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.73 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 113 G 7.75 3.78 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 0.00 * Residues marked with a * may have inaccurate shift predictions.