NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Y 4.5052 8.1293 118.3693 58.0851 39.3484 173.6874 *5 T 4.1910 8.0822 109.3246 62.3791 69.7724 172.7681 6 A 4.4849 8.1283 123.7383 50.6526 22.2431 175.1600 7 L 4.5490 7.8172 121.5903 53.0442 43.9024 175.9077 8 F 4.8623 8.3939 123.6886 54.7739 42.4326 173.0143 9 P 4.5626 0.0000 0.0000 62.8190 32.9964 174.5985 10 Y 4.8361 8.4875 122.3660 56.1784 41.1015 174.2254 11 I 4.1597 8.3667 128.6060 59.5657 39.4038 175.0512 12 A 4.7824 8.2715 128.9733 50.9277 19.4273 176.3678 13 F 4.7125 8.5260 120.9792 56.6093 41.1761 177.3897 14 E 3.7291 9.1061 122.2001 58.8522 29.7252 177.5403 15 N 4.6819 7.7152 119.4542 51.1118 41.4436 174.4877 16 S 3.9569 9.3090 126.4280 61.0915 63.0357 176.6568 17 K 3.8158 7.9317 122.0834 59.3643 32.0363 178.1791 18 E 3.8248 8.7626 119.6521 59.3688 29.5131 178.6742 19 A 3.4773 7.4369 120.6406 54.8748 18.0912 179.6317 20 L 3.6491 8.0584 117.7451 57.6422 41.6444 179.5398 21 A 3.9380 7.8174 120.5628 55.0946 18.2895 179.0975 22 Y 3.9313 7.9809 117.9568 61.2177 38.9166 177.9058 23 Y 3.9209 7.8385 117.9327 60.6462 37.2698 178.2431 24 E 4.0592 8.2179 120.4634 59.2556 29.5546 178.6095 25 E 3.8786 7.9642 117.8386 59.1003 29.8792 178.2634 26 V 3.8588 7.7182 110.4639 62.1379 32.5054 176.8457 27 F 4.3853 8.1586 114.3312 56.3696 39.2953 175.4688 28 G 4.0611 8.1426 108.0865 45.3617 0.0000 173.9374 29 A 4.4385 8.4004 121.5654 52.2122 19.2859 177.6046 30 T 4.6854 8.7076 110.9987 60.0256 72.2937 173.0007 31 D 4.6534 8.6126 117.9606 55.3336 38.3077 174.6404 32 V 4.2206 7.6604 117.3128 62.7441 32.9624 175.7244 33 K 4.6714 9.0312 126.5992 54.6249 35.7792 175.0722 34 R 4.9250 8.7117 124.8922 54.3867 33.0980 174.3732 35 L 4.6315 9.0994 129.6853 53.3544 42.8194 175.2721 36 E 4.8973 8.5675 124.4976 55.1264 30.8076 176.9318 37 V 3.5943 8.4230 121.8871 63.1178 32.1187 176.2122 38 G 3.8366 9.0210 116.8236 45.2776 0.0000 174.0743 39 E 3.9384 8.8906 121.0258 59.0613 29.5340 178.1806 40 E 4.5741 8.1346 114.5470 56.4268 30.0902 176.7674 41 Q 4.5097 7.9848 119.0878 56.0914 29.5603 177.3729 42 A 4.0965 8.2210 121.8975 55.5968 18.4842 179.3896 43 S 4.2339 8.1274 111.8388 61.6906 62.8880 175.8741 44 H 4.0633 8.1725 120.6858 59.0743 29.8216 176.4947 45 F 4.1184 7.9828 115.9263 56.9223 40.2302 174.4444 46 G 3.5079 7.3650 107.7242 45.7083 0.0000 173.1349 *48 T 4.1478 7.2812 110.1910 61.6388 70.8612 176.6632 49 K 4.1817 8.4456 123.3842 59.6704 31.9419 178.8583 50 E 4.0901 8.0361 118.0506 59.1737 30.0927 178.3746 51 E 4.2663 8.3646 115.5449 57.4443 30.1393 178.3721 52 A 4.1089 7.8799 122.8006 55.2128 18.3819 179.2404 53 Q 4.1013 7.6678 113.7216 58.4362 28.8480 177.3741 54 E 4.3944 7.4509 117.5278 55.4147 30.4311 175.2311 55 A 4.9908 7.1887 121.7530 50.8627 22.2007 176.2728 56 T 5.3715 8.3386 115.0476 60.7992 73.5546 172.1915 *58 H 4.9112 8.5317 120.0203 56.6645 31.2284 172.1180 59 A 5.2192 8.9458 125.9124 50.7261 23.3839 174.3713 60 E 5.1971 9.0767 116.0562 55.1917 33.5952 174.1698 61 F 5.2280 8.6486 115.2234 55.7623 42.3747 172.3742 62 E 5.1864 9.3631 120.1524 54.2954 32.3673 174.6056 63 V 4.3696 8.4934 126.5719 60.3332 34.1352 175.9151 64 L 3.2586 9.6627 124.0577 55.6744 39.1138 175.4231 65 G 4.0595 8.6419 103.9636 44.4214 0.0000 174.1427 66 V 4.5597 7.5896 112.5368 59.1088 35.2816 174.4125 67 K 4.9027 8.7239 125.1058 55.0815 33.6604 175.5377 68 V 4.3521 8.3600 127.1971 60.9671 34.4955 174.1068 69 L 5.1505 8.3043 126.6654 53.4579 44.6731 175.0869 70 C 4.5918 8.5464 115.7810 57.7159 33.6951 172.2895 71 S 4.7966 8.4179 112.5427 57.0203 65.8971 173.1673 72 D 4.6299 8.0357 124.0993 54.0954 40.6195 177.1276 73 S 4.0744 9.2155 117.1387 59.7122 62.6078 174.9528 74 F 4.1198 8.5217 116.0065 58.2132 36.3456 176.2631 75 G 4.0189 8.3956 105.7188 46.0923 0.0000 175.2805 76 R 4.2140 8.4638 118.8928 57.2209 30.8632 176.7706 77 A 4.6542 7.3587 119.6134 50.1967 20.4865 176.6255 78 D 4.5389 8.3941 120.2795 53.8367 41.5755 176.6863 79 K 4.0357 8.3590 122.4460 56.2261 32.7602 176.7862 80 I 3.7838 8.3855 126.9875 61.6496 37.4810 174.8795 81 N 5.1933 8.4044 123.8241 51.6063 39.8334 174.2909 82 N 4.8710 8.6756 118.2482 53.1061 37.6600 176.0704 83 G 3.6583 8.7430 111.2202 48.2666 0.0000 174.5707 84 I 4.3930 7.4879 119.6187 59.5282 39.6778 174.8293 85 S 4.6655 8.4552 121.0241 56.9114 65.6300 173.5807 86 L 4.4641 8.3215 121.8353 53.1050 43.3340 175.3652 87 L 4.8959 8.5312 126.4614 53.3206 44.0476 175.2725 88 I 4.4985 8.5488 127.1538 59.8733 39.1471 173.8076 89 D 5.7134 8.8623 127.3084 52.7783 43.1116 174.7098 90 Y 5.0431 8.6256 122.2048 55.5187 42.5639 173.3113 91 D 5.1592 8.8313 120.2476 53.3633 41.8489 177.5762 92 V 3.8714 8.5339 120.8150 63.9168 31.6777 176.8283 93 N 4.6988 8.5323 115.6002 53.2872 38.9357 175.8143 94 N 4.6737 8.1244 118.7401 52.0751 38.1728 174.6494 95 K 3.9555 8.4376 128.3045 59.2423 32.3294 177.6296 96 E 3.9898 8.2499 119.1414 59.2365 29.6451 178.2328 97 D 4.4605 8.3300 118.5357 56.7903 41.1858 178.4011 98 A 4.0511 8.4914 121.8120 55.2763 18.2985 179.1565 99 D 4.4726 8.0243 116.5107 56.7311 41.0846 179.1609 100 K 3.9978 7.6508 117.9117 59.2397 31.9108 179.5418 101 V 3.4122 7.6177 118.4805 66.0052 31.4584 177.8631 102 E 4.1453 8.1018 117.7483 59.4590 29.3931 179.2786 103 A 3.9919 8.0972 120.6787 55.0344 18.3407 179.2388 104 F 3.9234 8.5264 119.5571 61.7715 39.3778 176.7659 105 Y 3.5926 8.3811 119.2831 60.3133 38.3374 177.1246 106 E 3.7116 7.9683 119.3831 59.6778 29.7439 178.6390 107 Q 3.8692 7.4389 116.8691 58.3598 29.2687 177.2823 108 I 3.4530 6.5177 120.9706 62.6728 37.1921 177.9261 109 K 3.3222 7.0822 118.5090 59.3376 32.1455 177.4376 110 D 4.5281 7.4397 116.0177 54.1444 41.8975 176.2111 111 H 4.0292 7.5235 120.3256 55.7862 30.3307 175.9664 112 S 4.0715 8.3648 120.9010 61.1245 62.2505 174.9266 113 S 4.5094 8.2507 111.8509 58.3855 63.5294 173.4563 114 I 4.5345 7.5755 123.0244 59.7277 38.6092 174.5210 115 E 4.5409 8.8028 127.3480 54.4535 30.7022 174.9024 116 I 4.2721 8.4109 128.9872 61.7085 37.0776 175.4974 117 E 4.4429 9.2857 129.0661 57.6025 31.0868 176.1911 118 L 4.7490 7.8139 121.4919 52.6310 45.3321 173.7567 119 P 4.7837 0.0000 0.0000 62.4188 32.1685 175.9301 120 F 4.1126 8.2158 125.6447 58.8524 39.1622 174.1047 121 A 4.3711 7.8568 129.4444 50.3190 21.9477 174.8046 122 D 4.6480 8.3644 119.7037 55.1590 41.6093 176.5646 123 Q 4.6898 8.4237 121.3740 53.7463 31.1012 176.3665 124 F 4.0648 9.0792 124.2831 61.4756 39.1235 176.4288 125 W 4.3192 7.9299 116.0778 56.3496 29.2754 175.9297 126 G 3.9384 8.5164 107.9664 45.6182 0.0000 174.9601 127 G 3.6472 9.3770 108.8633 43.9788 0.0000 171.1703 128 K 4.9163 7.5067 116.7865 53.3836 36.8910 175.7254 *130 G 4.2843 8.4751 106.8906 46.7011 0.0000 172.7350 131 V 5.0716 9.1967 121.4151 61.2284 35.4358 174.0004 132 F 5.4797 8.6298 119.7424 56.6024 41.8399 172.7050 133 T 5.4789 8.9333 117.0318 62.0100 71.6302 174.4695 134 D 5.3338 9.8326 127.4364 52.3207 41.0992 176.9790 135 K 4.0482 8.0526 116.9484 59.0914 32.6541 177.6942 136 Y 4.2630 7.7063 116.1871 59.2689 38.1346 176.3059 137 G 4.0379 8.4981 108.3534 44.9915 0.0000 173.5258 138 V 3.7119 8.5117 120.8327 62.2293 32.1792 174.5966 139 R 4.7622 8.3439 127.7495 55.5151 31.5277 175.1613 140 W 5.3875 9.0565 129.0518 54.1928 32.7607 174.1692 *142 L 4.6938 8.2857 119.5635 55.7309 42.4659 176.1428 143 H 5.1180 9.7267 124.3850 54.3844 32.9897 172.1849 144 G 3.4449 9.1443 114.1682 44.3162 0.0000 171.8631 145 Q 4.6912 8.3694 125.2610 53.8719 31.7751 174.2927 146 D 4.7653 8.1733 122.4544 52.9136 42.4614 175.7959 147 Y 4.3363 8.4427 122.7751 58.1970 38.1512 175.5851 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 3 Y 8.13 4.51 0.00 2.95 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 *5 T 8.08 4.19 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 1.40 0.00 0.00 6 A 8.13 4.48 1.02 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 0.00 0.00 7 L 7.82 4.55 0.00 1.41 1.33 0.87 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 8 F 8.39 4.86 0.00 3.08 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 9 P 0.00 4.56 0.00 2.01 2.09 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.87 0.00 10 Y 8.49 4.84 0.00 2.96 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 11 I 8.37 4.16 1.34 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 0.91 0.59 -0.12 0.00 0.00 12 A 8.27 4.78 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 13 F 8.53 4.71 0.00 2.84 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 14 E 9.11 3.73 0.00 1.95 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 0.00 2.32 2.36 0.00 15 N 7.72 4.68 0.00 2.67 2.54 0.00 0.00 7.13 7.86 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 16 S 9.31 3.96 0.00 3.86 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 17 K 7.93 3.82 0.00 1.77 1.92 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.46 7.81 18 E 8.76 3.82 0.00 2.20 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 2.30 2.31 0.00 19 A 7.44 3.48 -0.25 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 20 L 8.06 3.65 0.00 1.76 1.61 0.90 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.82 3.94 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 22 Y 7.98 3.93 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 23 Y 7.84 3.92 0.00 2.41 2.53 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 24 E 8.22 4.06 0.00 2.24 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 0.00 2.30 2.50 0.00 25 E 7.96 3.88 0.00 1.97 1.94 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 2.26 2.28 0.00 26 V 7.72 3.86 1.53 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 0.36 0.00 0.00 0.45 0.00 0.00 27 F 8.16 4.39 0.00 3.19 3.33 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 28 G 8.14 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 0.00 0.00 0.00 29 A 8.40 4.44 1.45 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 30 T 8.71 4.69 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 31 D 8.61 4.65 0.00 2.84 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 32 V 7.66 4.22 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 0.79 0.00 0.00 1.01 0.00 0.00 33 K 9.03 4.67 0.00 1.73 1.66 0.00 1.83 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.37 7.81 34 R 8.71 4.92 0.00 1.77 1.77 0.00 3.20 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 35 L 9.10 4.63 0.00 1.82 1.76 0.96 0.86 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 36 E 8.57 4.90 0.00 2.02 1.94 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 2.29 2.10 0.00 37 V 8.42 3.59 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 0.71 0.00 0.00 0.45 0.00 0.00 38 G 9.02 3.84 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 0.00 0.00 0.00 39 E 8.89 3.94 0.00 1.96 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 0.00 2.33 2.43 0.00 40 E 8.13 4.57 0.00 1.96 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 2.25 2.26 0.00 41 Q 7.98 4.51 0.00 2.36 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.66 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 42 A 8.22 4.10 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 43 S 8.13 4.23 0.00 4.08 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 44 H 8.17 4.06 0.00 3.07 3.55 0.00 5.92 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 7.98 4.12 0.00 2.99 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 46 G 7.37 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 0.00 0.00 0.00 *48 T 7.28 4.15 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 1.23 0.00 0.00 49 K 8.45 4.18 0.00 1.84 1.91 0.00 1.68 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.68 1.61 7.81 50 E 8.04 4.09 0.00 1.95 2.02 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 2.32 2.37 0.00 51 E 8.36 4.27 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.36 0.00 52 A 7.88 4.11 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 53 Q 7.67 4.10 0.00 2.30 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.84 0.00 0.00 0.00 0.00 0.00 2.50 2.40 0.00 54 E 7.45 4.39 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 55 A 7.19 4.99 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 56 T 8.34 5.37 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 1.30 0.00 0.00 *58 H 8.53 4.91 0.00 3.42 3.31 0.00 5.83 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.95 5.22 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.08 5.20 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 2.16 2.24 0.00 61 F 8.65 5.23 0.00 3.15 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 62 E 9.36 5.19 0.00 2.07 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 0.00 2.21 2.45 0.00 63 V 8.49 4.37 2.23 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 0.83 0.00 0.00 0.72 0.00 0.00 64 L 9.66 3.26 0.00 1.56 1.58 0.04 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.64 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 0.00 0.00 0.00 66 V 7.59 4.56 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 0.81 0.00 0.00 1.02 0.00 0.00 67 K 8.72 4.90 0.00 1.88 1.98 0.00 1.53 0.00 0.00 1.17 0.00 0.00 2.57 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.23 1.38 7.81 68 V 8.36 4.35 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 0.00 0.00 0.66 0.00 0.00 0.78 0.00 0.00 69 L 8.30 5.15 0.00 1.72 1.36 1.01 0.40 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 70 C 8.55 4.59 0.00 3.07 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 71 S 8.42 4.80 0.00 4.01 3.81 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 0.00 0.00 0.00 0.00 72 D 8.04 4.63 0.00 1.58 1.54 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 73 S 9.22 4.07 0.00 3.76 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 74 F 8.52 4.12 0.00 3.37 3.18 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 75 G 8.40 4.02 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 0.00 0.00 0.00 76 R 8.46 4.21 0.00 2.01 2.06 0.00 3.30 0.00 0.00 3.31 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 77 A 7.36 4.65 1.24 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 0.00 0.00 0.00 78 D 8.39 4.54 0.00 2.68 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.36 4.04 0.00 1.73 1.73 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.51 7.81 80 I 8.39 3.78 2.10 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 1.33 0.60 0.97 0.00 0.00 81 N 8.40 5.19 0.00 2.76 2.81 0.00 0.00 6.17 8.04 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 82 N 8.68 4.87 0.00 2.82 2.94 0.00 0.00 5.85 7.00 0.00 0.00 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 G 8.74 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 I 7.49 4.39 1.80 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 1.38 0.68 0.84 0.00 0.00 85 S 8.46 4.67 0.00 3.68 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 86 L 8.32 4.46 0.00 0.80 1.31 0.09 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 87 L 8.53 4.90 0.00 1.64 1.56 0.92 1.14 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 88 I 8.55 4.50 1.98 0.00 0.00 1.00 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 0.86 0.95 0.00 0.00 89 D 8.86 5.71 0.00 2.75 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.63 5.04 0.00 3.18 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 91 D 8.83 5.16 0.00 2.93 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 92 V 8.53 3.87 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 0.48 0.00 0.00 0.89 0.00 0.00 93 N 8.53 4.70 0.00 2.92 2.89 0.00 0.00 6.90 8.66 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 94 N 8.12 4.67 0.00 2.85 3.03 0.00 0.00 6.77 6.05 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 95 K 8.44 3.96 0.00 1.90 1.83 0.00 1.80 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.55 1.54 7.81 96 E 8.25 3.99 0.00 2.09 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 2.39 2.41 0.00 97 D 8.33 4.46 0.00 2.77 2.69 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 0.00 0.00 0.00 0.00 98 A 8.49 4.05 1.52 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 0.00 0.00 99 D 8.02 4.47 0.00 2.79 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 0.00 100 K 7.65 4.00 0.00 1.77 1.81 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.69 7.81 101 V 7.62 3.41 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 0.71 0.00 0.00 0.22 0.00 0.00 102 E 8.10 4.15 0.00 2.14 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 0.00 2.76 2.58 0.00 103 A 8.10 3.99 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 0.00 104 F 8.53 3.92 0.00 3.11 3.24 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 0.00 105 Y 8.38 3.59 0.00 2.88 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 0.00 106 E 7.97 3.71 0.00 2.04 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 0.00 2.28 2.28 0.00 107 Q 7.44 3.87 0.00 1.91 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.65 0.00 0.00 0.00 0.00 0.00 2.11 2.01 0.00 108 I 6.52 3.45 0.91 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 0.28 -0.36 -0.30 0.00 0.00 109 K 7.08 3.32 0.00 1.39 0.74 0.00 1.01 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.05 1.18 7.81 110 D 7.44 4.53 0.00 2.54 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 0.00 111 H 7.52 4.03 0.00 2.93 2.97 0.00 5.60 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 S 8.36 4.07 0.00 3.71 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 0.00 113 S 8.25 4.51 0.00 4.09 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 0.00 114 I 7.58 4.53 1.90 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.71 0.80 0.00 0.00 115 E 8.80 4.54 0.00 2.15 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 2.33 0.00 116 I 8.41 4.27 1.96 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.97 1.10 0.00 0.00 117 E 9.29 4.44 0.00 2.10 2.23 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 2.35 2.32 0.00 118 L 7.81 4.75 0.00 1.84 1.57 0.98 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 119 P 0.00 4.78 0.00 2.06 2.14 0.00 3.82 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 120 F 8.22 4.11 0.00 1.62 1.45 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 0.00 121 A 7.86 4.37 1.15 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 0.00 122 D 8.36 4.65 0.00 2.61 2.57 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 0.00 123 Q 8.42 4.69 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.69 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 124 F 9.08 4.06 0.00 2.69 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 0.00 125 W 7.93 4.32 0.00 3.35 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 0.00 126 G 8.52 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 0.00 127 G 9.38 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 0.00 128 K 7.51 4.92 0.00 1.64 1.03 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.13 0.00 0.00 2.39 0.00 0.00 0.00 0.00 1.21 1.08 7.81 *130 G 8.48 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 0.00 0.00 0.00 0.00 131 V 9.20 5.07 2.21 0.00 0.00 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 0.00 0.00 1.02 0.00 0.00 132 F 8.63 5.48 0.00 3.40 3.28 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 0.00 133 T 8.93 5.48 4.42 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 1.36 0.00 0.00 134 D 9.83 5.33 0.00 3.59 3.84 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 0.00 135 K 8.05 4.05 0.00 1.59 1.93 0.00 1.06 0.00 0.00 1.25 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 136 Y 7.71 4.26 0.00 3.54 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 G 8.50 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 0.00 138 V 8.51 3.71 2.57 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 0.29 0.00 0.00 1.21 0.00 0.00 139 R 8.34 4.76 0.00 1.94 1.72 0.00 3.23 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 140 W 9.06 5.39 0.00 1.96 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 *142 L 8.29 4.69 0.00 1.68 1.75 0.55 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 143 H 9.73 5.12 0.00 3.26 3.22 0.00 5.74 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 G 9.14 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 Q 8.37 4.69 0.00 1.53 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.73 0.00 0.00 0.00 0.00 0.00 1.99 1.89 0.00 146 D 8.17 4.77 0.00 2.55 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 Y 8.44 4.34 0.00 2.97 2.80 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 * Residues marked with a * may have inaccurate shift predictions.