NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 L 4.2897 8.1844 120.9901 55.4195 42.6316 176.5625 11 E 4.4796 7.6365 115.4010 55.0751 32.2195 173.1497 12 R 4.6168 8.5817 125.0080 54.4246 33.1035 175.0211 13 S 4.8647 8.3644 115.3746 56.3475 65.9080 173.0775 14 L 4.7173 8.0948 118.9910 53.1687 44.8585 176.3593 15 N 4.9174 8.6162 120.9445 51.6968 39.9859 172.7167 16 R 4.9842 8.3899 122.2187 53.9545 34.1480 175.0579 17 V 4.4292 8.5875 121.5818 61.6382 35.0990 173.4213 18 H 5.3567 8.9689 124.6341 54.0421 31.0308 173.6246 19 L 4.8014 8.3978 122.6033 52.7905 45.8688 175.2761 20 L 5.1227 8.2997 124.5106 53.7168 45.1410 175.5537 21 G 4.0530 8.5038 111.7058 46.4223 0.0000 171.4619 22 R 5.1734 7.6889 118.5800 54.3653 32.4701 176.6883 23 V 4.1715 9.0081 124.5193 63.2216 32.0954 176.9167 24 G 4.4068 9.4506 115.5247 48.3635 0.0000 173.5007 25 Q 4.8407 7.9270 115.6896 54.2965 32.0977 174.5037 26 D 4.6418 8.6556 120.5616 53.4060 41.3820 174.7819 27 P 4.7773 0.0000 0.0000 63.3476 32.2545 175.5442 28 V 4.4473 8.7161 122.4934 61.1335 33.7883 174.4767 29 L 4.3055 8.4086 128.3343 54.3222 42.2021 176.2858 30 R 4.2317 8.9413 126.6214 54.8066 31.2488 175.6334 31 Q 5.0002 8.1013 127.9688 54.6519 28.6136 173.7854 32 V 3.7200 7.8448 122.2991 63.1192 32.2826 176.9270 33 E 3.6800 8.2838 121.4259 56.0410 31.3110 174.9186 34 G 4.1345 7.1716 106.3408 43.8974 0.0000 173.2106 35 K 4.3452 7.7932 121.2358 54.8353 34.6925 175.2822 36 N 4.5755 8.5599 117.0861 51.8132 37.5393 173.1408 37 P 4.6515 0.0000 0.0000 62.9169 32.3683 175.7112 38 V 4.2456 8.3790 120.0700 61.3777 35.7085 174.2533 39 T 4.9208 8.1187 121.7078 62.0396 70.8637 173.1634 40 I 4.8013 8.6482 128.6672 59.5501 39.4428 175.2164 41 F 5.5790 8.1003 120.8200 55.3927 42.2194 173.1556 42 S 5.4168 8.9193 112.3818 56.5157 66.1577 172.5255 43 L 5.2057 9.1860 124.2125 53.3873 44.6151 174.6523 44 A 4.1908 9.0775 128.5813 50.6926 20.5941 175.9142 45 T 4.5278 8.3603 119.5199 61.8660 71.5988 173.7354 46 N 5.2437 8.3372 122.1794 51.9224 42.2324 173.9252 47 E 4.5242 8.8314 118.2087 56.1866 33.0671 173.9174 48 M 4.6355 8.7692 127.4259 54.1644 33.5857 175.6685 49 W 4.9682 8.9687 124.0617 55.1955 30.8580 175.7012 50 R 4.7070 8.6010 125.0469 55.0842 30.7142 175.9031 51 S 4.3381 8.7407 117.6483 59.6721 68.3189 174.3779 *61 D 4.2957 7.8756 119.5696 54.3070 40.7149 174.5937 62 V 4.1869 8.0100 127.0804 60.2625 31.1348 172.5456 63 S 4.6002 7.9087 117.1757 55.6570 65.1357 172.3399 64 Q 4.5871 8.0658 124.0027 54.2134 31.7002 174.2808 65 K 4.7174 8.4874 119.0994 55.3035 36.3407 174.5045 66 T 4.8974 8.4608 119.2233 60.7593 70.1256 172.7618 67 T 4.6655 8.9538 126.0123 61.7935 71.0797 173.5976 68 W 5.1657 8.8075 125.3222 55.4618 31.1371 174.8195 69 H 4.8186 9.1752 122.8531 54.1899 30.5994 174.3703 70 R 4.5327 8.6246 124.2233 55.6473 30.9244 174.8729 71 I 4.3972 8.5610 128.7076 60.2827 39.2325 175.2725 72 S 4.7049 8.5169 121.6167 56.6383 66.3567 173.2766 73 V 4.3300 8.5276 125.4110 61.2867 32.6493 174.9276 74 F 4.8580 8.5752 126.1856 56.7194 41.2021 174.8412 75 R 4.2040 8.8890 119.3776 56.2911 29.0414 175.8992 76 P 4.2990 0.0000 0.0000 65.3592 30.7726 177.6956 77 G 3.7163 7.4405 105.9252 47.1350 0.0000 175.2904 78 L 4.2354 7.8329 121.2375 56.3520 42.0785 179.4477 79 R 3.9380 8.0414 119.2670 59.8541 30.0449 178.3206 80 D 4.4902 8.0934 117.9825 57.3465 40.8039 178.8270 81 V 3.8445 7.5709 119.0543 65.7736 31.5647 178.0526 82 A 4.0159 8.5835 121.2148 55.2331 18.0428 178.9937 83 Y 4.1433 8.0684 117.1905 60.9663 38.9653 177.8706 84 Q 3.7198 7.9468 117.6912 58.4651 29.0523 177.3417 85 Y 4.4390 7.5471 115.9519 58.2732 38.4761 176.1767 86 V 3.7160 7.1688 120.2760 62.1046 32.0983 175.1636 87 K 4.6189 8.0470 125.8728 53.6382 35.5043 175.4260 88 K 4.2265 8.2002 122.4004 58.0616 32.3028 177.3225 89 G 4.0373 8.8426 115.0227 44.9764 0.0000 173.6672 90 S 4.3561 7.9755 117.3241 58.4246 63.6224 173.8533 91 R 4.7969 8.6740 123.7323 56.2377 31.4608 175.5920 92 I 4.4994 8.6161 123.1438 59.5960 42.0138 173.4564 93 Y 5.1984 8.0712 126.0269 55.8981 41.6932 174.3331 94 L 4.8184 7.7143 124.4120 54.6910 44.6654 173.9324 95 E 5.4109 8.0626 118.4333 54.0324 33.6526 175.6726 96 G 4.1540 8.0126 108.9210 45.6511 0.0000 171.4187 97 K 5.1748 8.1006 117.9331 54.9446 36.2498 175.8363 98 I 4.1981 8.6987 124.1645 61.1481 37.7742 174.9223 99 D 4.7341 8.7974 127.7712 52.3597 43.6206 174.3979 100 Y 4.4274 8.5225 124.5340 57.6700 38.8496 177.2163 101 G 4.1583 8.9730 112.8701 44.7498 0.0000 171.3757 102 E 4.8009 8.3903 119.2682 56.5060 30.1939 176.0995 103 Y 5.0090 8.2507 124.9725 55.3067 40.7706 175.5478 104 M 4.8808 8.9961 119.8098 56.0824 32.7321 175.6016 105 D 4.6789 8.9550 116.5191 53.2933 39.6797 177.4050 106 K 4.2783 8.8621 122.7326 54.5398 33.2753 174.7098 107 N 4.7275 8.8346 126.0557 54.0203 38.9311 174.7123 108 N 4.7692 7.4749 116.6746 52.4335 39.2619 173.5344 109 V 4.7486 7.8202 115.7152 61.0702 34.6564 174.1372 110 R 4.5535 7.8993 120.5240 54.8589 33.9943 174.2080 111 R 4.4739 8.3978 121.5838 55.6723 30.9396 176.9946 112 Q 4.8023 8.1961 120.9884 55.1539 29.0170 174.0882 113 A 4.6939 8.0554 122.3431 52.3097 19.6756 178.4104 114 T 4.8302 9.0696 112.6093 60.1013 72.8804 173.1218 115 T 4.6500 8.3249 119.8356 62.4931 69.9332 174.1979 116 I 4.5047 8.4870 128.9689 59.8742 38.0941 175.5937 117 I 4.1580 8.3149 129.0130 61.6761 36.9870 176.2832 118 A 4.6849 8.5516 127.2248 51.9970 21.1376 176.0643 119 D 4.4512 7.4098 111.2478 53.5743 44.5713 174.3694 120 N 5.5155 8.9880 122.1653 51.5408 42.5021 173.5137 121 I 4.4518 8.7077 123.7620 59.5650 39.8809 174.6936 122 I 4.0701 8.1823 127.8925 60.2190 38.0568 177.0223 123 F 5.0443 7.6015 127.2646 54.9400 36.7480 176.0904 124 L 4.0822 7.5352 121.8409 56.1848 39.7268 175.9317 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 10 L 8.18 4.29 0.00 1.77 1.88 0.92 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 11 E 7.64 4.48 0.00 1.97 1.80 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 2.09 2.39 0.00 12 R 8.58 4.62 0.00 1.80 1.82 0.00 3.26 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 13 S 8.36 4.86 0.00 3.94 3.85 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 14 L 8.09 4.72 0.00 1.59 1.56 0.93 0.90 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 15 N 8.62 4.92 0.00 2.67 2.67 0.00 0.00 6.91 7.65 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 16 R 8.39 4.98 0.00 1.69 1.80 0.00 3.40 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 1.53 1.55 0.00 17 V 8.59 4.43 2.05 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 0.95 0.00 0.00 0.91 0.00 0.00 18 H 8.97 5.36 0.00 3.02 3.25 0.00 5.71 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.40 4.80 0.00 1.46 1.37 0.73 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.30 5.12 0.00 1.86 1.64 1.15 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.50 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 0.00 0.00 0.00 22 R 7.69 5.17 0.00 1.73 1.87 0.00 3.14 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 23 V 9.01 4.17 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 1.03 0.00 0.00 0.89 0.00 0.00 24 G 9.45 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 25 Q 7.93 4.84 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.87 0.00 0.00 0.00 0.00 0.00 2.30 2.49 0.00 26 D 8.66 4.64 0.00 2.60 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 27 P 0.00 4.78 0.00 2.37 2.29 0.00 3.72 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 28 V 8.72 4.45 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 1.03 0.00 0.00 0.98 0.00 0.00 29 L 8.41 4.31 0.00 1.00 1.29 0.50 0.66 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 30 R 8.94 4.23 0.00 1.78 1.68 0.00 3.04 0.00 0.00 3.05 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 31 Q 8.10 5.00 0.00 1.95 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.74 0.00 0.00 0.00 0.00 0.00 2.19 2.37 0.00 32 V 7.84 3.72 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 0.94 0.00 0.00 0.90 0.00 0.00 33 E 8.28 3.68 0.00 2.19 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 0.00 2.19 2.22 0.00 34 G 7.17 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 0.00 0.00 0.00 0.00 35 K 7.79 4.35 0.00 1.85 1.88 0.00 1.82 0.00 0.00 1.92 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.56 7.81 36 N 8.56 4.58 0.00 2.96 2.93 0.00 0.00 5.95 7.75 0.00 0.00 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 P 0.00 4.65 0.00 2.02 2.05 0.00 3.75 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 1.99 1.96 0.00 38 V 8.38 4.25 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 -0.12 0.00 0.00 0.63 0.00 0.00 39 T 8.12 4.92 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 1.57 0.00 0.00 40 I 8.65 4.80 1.85 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.87 0.86 0.00 0.00 41 F 8.10 5.58 0.00 3.03 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 42 S 8.92 5.42 0.00 4.25 4.10 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 43 L 9.19 5.21 0.00 1.88 1.57 1.02 0.87 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 44 A 9.08 4.19 0.35 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 45 T 8.36 4.53 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 1.24 0.00 0.00 46 N 8.34 5.24 0.00 2.54 2.68 0.00 0.00 6.77 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 47 E 8.83 4.52 0.00 2.12 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 2.36 2.67 0.00 48 M 8.77 4.64 0.00 1.85 1.94 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 49 W 8.97 4.97 0.00 3.25 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 50 R 8.60 4.71 0.00 1.79 1.87 0.00 3.30 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 51 S 8.74 4.34 0.00 3.97 3.85 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 *61 D 7.88 4.30 0.00 2.67 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 62 V 8.01 4.19 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 0.83 0.00 0.00 0.91 0.00 0.00 63 S 7.91 4.60 0.00 3.84 3.56 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.07 4.59 0.00 1.83 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.51 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 65 K 8.49 4.72 0.00 2.26 2.09 0.00 2.00 0.00 0.00 1.89 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.67 7.81 66 T 8.46 4.90 4.19 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 1.30 0.00 0.00 67 T 8.95 4.67 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 1.16 0.00 0.00 68 W 8.81 5.17 0.00 3.16 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 69 H 9.18 4.82 0.00 3.17 3.23 0.00 5.80 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 R 8.62 4.53 0.00 1.92 1.99 0.00 3.16 0.00 0.00 3.32 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 71 I 8.56 4.40 0.94 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 1.21 1.24 0.43 0.00 0.00 72 S 8.52 4.70 0.00 3.70 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 8.53 4.33 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 1.06 0.00 0.00 1.09 0.00 0.00 74 F 8.58 4.86 0.00 2.95 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 75 R 8.89 4.20 0.00 2.04 2.25 0.00 3.18 0.00 0.00 3.38 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 76 P 0.00 4.30 0.00 2.07 2.16 0.00 3.72 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 77 G 7.44 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 78 L 7.83 4.24 0.00 1.75 1.80 0.97 0.80 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 79 R 8.04 3.94 0.00 2.05 1.97 0.00 3.02 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 80 D 8.09 4.49 0.00 2.80 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 81 V 7.57 3.84 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 1.06 0.00 0.00 1.04 0.00 0.00 82 A 8.58 4.02 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 8.07 4.14 0.00 3.10 3.20 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 84 Q 7.95 3.72 0.00 2.10 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.68 0.00 0.00 0.00 0.00 0.00 2.21 2.15 0.00 85 Y 7.55 4.44 0.00 3.04 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 86 V 7.17 3.72 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 0.07 0.00 0.00 0.65 0.00 0.00 87 K 8.05 4.62 0.00 1.70 1.62 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.69 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.27 1.42 7.81 88 K 8.20 4.23 0.00 1.67 1.73 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.60 7.81 89 G 8.84 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 0.00 0.00 0.00 90 S 7.98 4.36 0.00 3.76 3.76 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 0.00 0.00 0.00 91 R 8.67 4.80 0.00 1.98 2.30 0.00 3.14 0.00 0.00 3.54 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.75 0.00 92 I 8.62 4.50 1.83 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.13 0.91 0.00 0.00 93 Y 8.07 5.20 0.00 3.18 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.71 4.82 0.00 1.88 1.60 0.84 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 95 E 8.06 5.41 0.00 1.88 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 2.00 1.83 0.00 96 G 8.01 4.15 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 0.00 0.00 0.00 97 K 8.10 5.17 0.00 1.77 1.98 0.00 1.30 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.36 7.81 98 I 8.70 4.20 1.63 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.57 0.31 0.00 0.00 99 D 8.80 4.73 0.00 2.70 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 0.00 100 Y 8.52 4.43 0.00 2.94 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 0.00 101 G 8.97 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 0.00 102 E 8.39 4.80 0.00 1.98 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 2.32 2.28 0.00 103 Y 8.25 5.01 0.00 2.95 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 0.00 104 M 9.00 4.88 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.35 0.00 105 D 8.95 4.68 0.00 2.77 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.86 4.28 0.00 1.71 1.78 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.33 1.45 7.81 107 N 8.83 4.73 0.00 2.85 2.96 0.00 0.00 7.28 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 0.00 108 N 7.47 4.77 0.00 2.94 2.92 0.00 0.00 5.62 7.68 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 0.00 109 V 7.82 4.75 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 0.60 0.00 0.00 0.86 0.00 0.00 110 R 7.90 4.55 0.00 1.72 1.40 0.00 3.03 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.58 0.00 111 R 8.40 4.47 0.00 1.79 1.96 0.00 3.20 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.58 0.00 112 Q 8.20 4.80 0.00 2.63 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.00 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 113 A 8.06 4.69 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 0.00 114 T 9.07 4.83 4.22 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 1.23 0.00 0.00 115 T 8.32 4.65 4.19 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 1.16 0.00 0.00 116 I 8.49 4.50 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.98 1.06 0.00 0.00 117 I 8.31 4.16 1.88 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 1.13 0.37 1.00 0.00 0.00 118 A 8.55 4.68 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 0.00 119 D 7.41 4.45 0.00 2.78 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 0.00 120 N 8.99 5.52 0.00 2.57 2.62 0.00 0.00 6.88 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 0.00 121 I 8.71 4.45 1.91 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.81 0.90 0.00 0.00 122 I 8.18 4.07 1.76 0.00 0.00 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 1.22 0.62 0.83 0.00 0.00 123 F 7.60 5.04 0.00 3.01 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 0.00 124 L 7.54 4.08 0.00 1.70 1.61 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.