NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.3276 8.3444 119.6870 55.7769 30.1810 174.0680 3 R 4.4449 8.3441 120.5790 54.2170 32.9351 169.3396 4 V 4.6034 9.0258 118.2787 59.8661 36.6457 174.2502 5 T 4.6566 8.3534 117.9161 61.7459 70.9885 173.6479 6 I 4.7383 8.1025 117.6425 59.1079 40.9596 174.3771 7 T 4.6232 8.3490 110.4054 59.5689 70.7217 173.3097 8 L 4.8433 8.2137 125.2356 52.4828 43.7832 176.4285 9 D 4.4122 8.6285 120.7355 53.9236 40.5277 177.2117 10 D 4.4065 8.8438 122.9786 58.2198 40.7381 178.5078 11 D 4.3629 8.1498 117.8993 56.9549 41.1543 177.4579 12 L 3.9337 8.5416 120.2888 58.4206 42.2427 178.8956 13 L 3.9169 7.8600 121.8499 59.2451 41.9224 179.6415 14 E 4.0633 7.9287 117.5793 61.4755 29.3086 181.0783 15 T 4.0801 7.5938 116.7815 66.2325 68.4111 176.6719 16 L 3.9280 8.0524 122.3814 58.4280 42.2509 178.8271 17 D 4.3655 8.6101 119.3006 56.9952 40.6404 179.0367 18 S 4.0877 8.0264 115.1508 61.3544 62.8792 176.1890 19 L 3.9016 7.5558 124.2214 57.8446 41.5795 178.3292 20 S 4.1291 7.8936 111.3880 62.0933 62.2536 176.2071 21 Q 4.4416 7.7760 120.1811 58.4536 28.7659 177.9485 22 R 4.0808 8.0721 118.6709 58.7699 31.3223 177.1859 23 R 4.5656 8.3281 115.1544 54.6153 30.3452 175.1651 24 G 3.6215 8.2893 110.9843 44.6396 0.0000 171.3474 25 Y 4.2349 8.0763 127.1878 58.1026 38.5104 176.6133 26 N 4.8150 8.5451 126.8120 53.1802 39.3427 175.3949 27 N 4.9351 7.7846 116.7513 50.9714 42.3863 173.1770 28 R 3.7525 8.6184 127.8941 59.7062 30.3663 177.9661 29 S 4.0851 8.1392 114.4393 62.1497 62.7273 176.3464 30 E 3.9334 9.4986 120.7330 59.6748 29.3413 179.4476 31 A 2.5800 7.4008 119.9796 54.9297 18.4451 179.4866 32 I 3.4933 7.7123 118.0531 64.6151 37.1215 178.4165 33 R 3.8610 8.1219 118.7050 59.9304 30.1595 178.4263 34 D 4.3581 8.4238 118.2592 57.9822 40.8213 179.4463 35 I 3.8547 7.6647 119.6042 63.7351 37.0569 178.2653 36 L 3.9942 8.2356 122.1204 58.0949 41.9716 179.0444 37 R 4.0570 8.9453 118.8378 58.6899 29.7099 179.2967 38 S 4.0924 7.7960 114.3281 61.5060 63.0258 175.8124 39 A 4.1127 7.7029 123.4586 55.3783 18.0863 179.5003 40 L 3.9038 8.1466 116.2580 58.1079 41.9980 179.6200 41 A 4.0272 8.1604 120.5342 55.5127 18.0857 179.8996 42 Q 3.9028 7.8715 116.5167 59.2235 28.7614 178.2166 43 E 4.1265 7.9836 117.4666 57.9058 29.6778 178.1484 44 A 4.1972 7.6461 119.7907 55.9834 18.9900 179.0096 45 T 3.9045 7.5519 112.6784 66.5258 69.8139 175.6326 46 Q 4.3320 7.7704 121.5967 54.7847 27.7415 174.6589 47 Q 4.5184 7.5598 120.7663 55.1435 32.8725 173.6278 *48 H 3.8123 9.0931 117.2648 56.6744 28.1428 175.9750 49 G 4.3853 8.9276 110.6173 45.4623 0.0000 173.0302 50 T 4.0345 7.5131 115.8911 63.2231 68.8800 174.0036 51 Q 4.8459 9.6767 123.5801 53.3257 33.4418 174.7981 52 G 4.0157 6.9918 105.1817 46.2447 0.0000 171.3105 53 F 5.1668 8.2191 121.8617 56.1717 42.8020 174.5139 54 A 4.9386 8.7602 118.6460 51.3059 22.7348 175.9783 55 V 4.5546 8.8153 122.0775 61.2421 33.5933 174.5843 56 L 4.9238 8.9710 132.7522 53.8888 42.8949 174.9219 57 S 5.1731 8.6888 122.2908 56.8533 65.5746 172.8524 58 Y 5.2603 8.2860 120.0065 56.2945 41.8998 173.2760 59 V 5.3588 8.4221 118.9425 61.4825 35.4843 173.6606 60 Y 5.1246 8.3514 123.1422 57.5776 41.3851 172.8617 61 E 4.7405 8.9950 121.4002 56.7708 31.0384 177.3930 *62 H 4.5678 8.9671 124.0482 55.8908 27.9770 175.6544 63 E 4.1441 8.3060 116.4197 58.5504 30.4406 182.0009 64 K 4.5152 7.9494 121.9362 54.2206 32.8952 183.8047 65 R 4.1374 8.8294 125.5934 58.9691 29.4820 175.2133 66 D 4.5493 8.2216 119.1093 56.4847 40.0591 181.2626 67 L 4.1788 7.4884 121.2872 59.5156 39.8550 182.2174 68 A 4.6348 8.0511 120.6990 55.1445 18.2896 179.9357 69 S 4.2201 8.1092 115.0070 62.3947 63.3427 177.2144 70 R 4.0417 7.8930 122.7906 62.1015 29.0766 180.7908 71 I 3.5580 7.3531 120.5296 64.0839 36.9894 178.4027 72 V 3.6829 7.4619 116.9348 65.5047 31.1232 177.6485 73 S 4.1891 8.5575 114.4221 61.0181 62.0545 175.7494 74 T 3.9953 7.7307 120.0343 65.7469 68.7356 175.4892 75 Q 4.2888 7.6487 122.0188 59.0441 29.3145 177.2386 76 H 4.2583 8.2785 115.8817 58.6350 28.6772 176.7000 77 H 4.2933 8.3995 120.3492 58.9185 30.7770 175.7973 78 H 5.0928 8.2078 116.1676 55.1112 28.7116 175.0913 79 H 4.3638 8.2879 113.2329 57.2109 28.6959 175.9213 80 D 4.4287 7.7314 118.7500 54.0042 40.1500 176.7154 81 L 4.5328 7.8792 119.5811 54.4955 43.0664 175.9471 82 S 4.6700 7.6470 113.0999 57.3372 62.2379 173.6236 83 V 3.7802 8.4132 128.7469 65.3369 31.9009 175.3981 84 A 4.4693 7.5586 118.8277 52.6163 22.5775 174.5861 85 T 4.5987 7.8902 112.6637 63.1087 72.2675 173.2883 86 L 4.4078 8.5061 129.8419 54.9859 43.5723 175.1172 87 H 5.3587 8.6543 124.1299 54.5606 33.1469 172.2802 88 V 4.3246 9.0697 124.7040 61.3900 34.7256 174.6380 89 H 4.9628 8.4814 125.3324 53.7664 26.3004 174.3378 90 I 3.9028 8.0882 115.7868 63.2501 38.0381 175.8359 91 N 5.0336 7.2344 118.6360 51.4181 38.8738 173.5095 92 H 4.2528 9.1252 115.5145 58.9676 30.3231 176.3740 93 D 4.9268 8.3387 115.2978 52.8139 40.7004 174.8852 94 D 5.2892 9.1489 120.2576 53.0403 43.7732 175.0329 95 C 5.0714 8.9509 119.5542 57.7625 32.0293 172.7512 96 L 4.8331 8.8235 125.6961 53.4964 43.7160 174.3882 97 E 5.0410 9.2933 128.3436 54.3240 32.7404 174.5091 98 I 4.7712 8.7600 127.0645 59.3082 40.7866 174.3067 99 A 5.1180 8.5944 127.4632 48.9353 22.1589 175.0292 100 V 4.4249 8.3666 122.8740 62.3280 33.2075 174.9943 101 L 5.2390 9.2612 126.6180 52.9858 46.1887 175.3680 102 K 4.4502 9.0712 121.9781 53.8688 36.0319 176.7520 103 G 3.9764 7.6692 113.4183 45.3662 0.0000 172.0212 104 D 4.6233 7.7581 120.9992 53.6354 40.8001 176.5103 *106 G 4.0657 8.0911 102.0574 44.3174 0.0000 174.0836 107 D 4.4539 8.2851 117.8363 56.9037 41.5203 179.2928 108 V 3.5654 7.8275 118.4672 66.1254 31.4928 177.9657 109 Q 4.0240 8.3651 117.8539 59.7026 28.6182 178.0590 110 H 3.9485 8.4300 116.1307 59.5339 28.5282 176.8342 111 F 4.1160 9.3267 122.6310 61.5529 39.5051 177.2402 112 A 4.2901 8.3839 120.1880 55.3496 18.2339 178.8459 113 D 4.3758 8.0986 117.2834 57.9711 40.7279 179.5676 114 D 4.5376 7.6466 113.2631 55.2277 40.6085 177.3221 115 V 4.0089 8.0234 119.9899 63.7393 33.6743 176.9751 116 I 3.7231 7.4920 118.8969 63.2918 36.5706 176.3675 117 A 3.8473 7.8210 125.9461 54.0955 19.0050 179.0411 118 Q 3.4990 7.3050 121.1161 54.5827 25.9949 178.1794 119 R 3.6338 7.7814 120.1702 56.0866 29.9141 175.6646 120 G 4.0069 9.0262 109.9543 44.3856 0.0000 173.1444 121 V 4.4462 7.1513 119.1055 61.5095 31.5327 175.1754 122 R 4.4812 8.4369 126.7612 55.4732 31.9507 176.1636 123 H 4.2304 8.8376 113.8068 56.5551 26.4942 175.3655 124 G 3.9953 8.1617 105.3974 47.3290 0.0000 173.3155 125 H 5.0531 9.4240 123.3849 54.5551 33.6730 171.5578 126 L 4.9638 8.4417 127.3474 53.3074 44.3702 175.2519 127 Q 4.4248 8.3689 125.5878 54.5419 31.6373 173.9670 128 C 4.6692 8.7172 124.2645 59.5111 29.6982 174.4940 129 L 4.7120 8.6928 120.8120 52.2327 42.6666 174.6035 130 P 5.0723 0.0000 0.0000 61.9164 31.8004 177.3906 131 K 4.2683 8.4648 119.6658 55.5046 32.6532 171.6726 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 Q 8.34 4.33 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.64 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 3 R 8.34 4.44 0.00 1.78 1.74 0.00 3.18 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.71 0.00 4 V 9.03 4.60 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 0.80 0.00 0.00 0.92 0.00 0.00 5 T 8.35 4.66 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 6 I 8.10 4.74 1.86 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 1.46 0.65 0.90 0.00 0.00 7 T 8.35 4.62 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 8 L 8.21 4.84 0.00 1.68 1.62 0.91 0.79 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 9 D 8.63 4.41 0.00 2.88 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 10 D 8.84 4.41 0.00 2.70 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 11 D 8.15 4.36 0.00 2.73 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 12 L 8.54 3.93 0.00 1.96 1.76 0.91 0.33 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 13 L 7.86 3.92 0.00 1.73 1.68 0.91 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 14 E 7.93 4.06 0.00 2.01 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 2.24 2.23 0.00 15 T 7.59 4.08 4.33 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 1.21 0.00 0.00 16 L 8.05 3.93 0.00 1.71 1.81 0.83 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.61 4.37 0.00 2.83 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 18 S 8.03 4.09 0.00 4.07 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 0.00 19 L 7.56 3.90 0.00 1.77 1.85 0.97 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 20 S 7.89 4.13 0.00 3.84 4.08 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 0.00 0.00 0.00 0.00 21 Q 7.78 4.44 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.60 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 22 R 8.07 4.08 0.00 1.78 2.11 0.00 3.22 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 23 R 8.33 4.57 0.00 1.92 1.92 0.00 3.24 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 24 G 8.29 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 0.00 0.00 0.00 25 Y 8.08 4.23 0.00 2.94 3.03 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 0.00 0.00 0.00 26 N 8.55 4.81 0.00 2.78 2.83 0.00 0.00 6.41 6.92 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 27 N 7.78 4.94 0.00 2.90 2.70 0.00 0.00 6.91 7.53 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 28 R 8.62 3.75 0.00 1.89 1.88 0.00 3.24 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 29 S 8.14 4.09 0.00 4.10 3.92 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 0.00 0.00 0.00 30 E 9.50 3.93 0.00 2.05 2.27 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 2.39 2.58 0.00 31 A 7.40 2.58 0.90 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 32 I 7.71 3.49 2.00 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 1.46 0.57 0.87 0.00 0.00 33 R 8.12 3.86 0.00 1.93 2.02 0.00 3.16 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 34 D 8.42 4.36 0.00 2.84 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 35 I 7.66 3.85 1.95 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.21 0.90 0.00 0.00 36 L 8.24 3.99 0.00 1.93 1.70 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.95 4.06 0.00 1.83 1.97 0.00 3.19 0.00 0.00 3.18 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 38 S 7.80 4.09 0.00 4.03 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 39 A 7.70 4.11 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 40 L 8.15 3.90 0.00 1.72 1.74 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.16 4.03 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 42 Q 7.87 3.90 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 43 E 7.98 4.13 0.00 1.99 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 0.00 2.33 2.33 0.00 44 A 7.65 4.20 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 45 T 7.55 3.90 4.38 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 0.00 0.00 0.00 1.22 0.00 0.00 46 Q 7.77 4.33 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.66 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 47 Q 7.56 4.52 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.52 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 *48 H 9.09 3.81 0.00 2.87 2.99 0.00 7.38 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 49 G 8.93 4.39 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 50 T 7.51 4.03 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 1.24 0.00 0.00 51 Q 9.68 4.85 0.00 2.04 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.97 0.00 0.00 0.00 0.00 0.00 2.29 2.48 0.00 52 G 6.99 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 53 F 8.22 5.17 0.00 2.91 3.03 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 0.00 0.00 0.00 54 A 8.76 4.94 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 55 V 8.82 4.55 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 0.93 0.00 0.00 0.95 0.00 0.00 56 L 8.97 4.92 0.00 1.91 1.79 1.15 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.69 5.17 0.00 3.88 3.91 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 58 Y 8.29 5.26 0.00 3.03 3.13 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 59 V 8.42 5.36 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 1.12 0.00 0.00 1.05 0.00 0.00 60 Y 8.35 5.12 0.00 3.16 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 61 E 9.00 4.74 0.00 1.77 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 2.18 1.87 0.00 *62 H 8.97 4.57 0.00 2.67 2.98 0.00 7.16 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.31 4.14 0.00 1.98 1.88 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 2.21 1.87 0.00 64 K 7.95 4.52 0.00 1.67 1.72 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 0.99 7.81 65 R 8.83 4.14 0.00 1.82 1.88 0.00 3.23 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 66 D 8.22 4.55 0.00 2.60 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 67 L 7.49 4.18 0.00 1.70 1.65 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.05 4.63 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.11 4.22 0.00 3.87 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 70 R 7.89 4.04 0.00 1.82 1.93 0.00 3.30 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 71 I 7.35 3.56 1.71 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.38 0.84 0.00 0.00 72 V 7.46 3.68 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 0.84 0.00 0.00 1.05 0.00 0.00 73 S 8.56 4.19 0.00 3.88 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 74 T 7.73 4.00 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 1.04 0.00 0.00 75 Q 7.65 4.29 0.00 2.36 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.79 0.00 0.00 0.00 0.00 0.00 2.52 2.89 0.00 76 H 8.28 4.26 0.00 3.45 3.37 0.00 5.74 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 H 8.40 4.29 0.00 3.04 3.53 0.00 5.89 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 78 H 8.21 5.09 0.00 3.54 3.29 0.00 5.70 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 H 8.29 4.36 0.00 3.31 3.56 0.00 5.52 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 80 D 7.73 4.43 0.00 2.64 2.62 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 81 L 7.88 4.53 0.00 1.21 1.19 0.69 0.61 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 82 S 7.65 4.67 0.00 3.82 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 83 V 8.41 3.78 2.22 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 0.83 0.00 0.00 0.92 0.00 0.00 84 A 7.56 4.47 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 85 T 7.89 4.60 4.29 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 86 L 8.51 4.41 0.00 1.81 1.51 0.92 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 87 H 8.65 5.36 0.00 3.19 3.07 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 88 V 9.07 4.32 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 1.01 0.00 0.00 0.92 0.00 0.00 89 H 8.48 4.96 0.00 3.10 3.21 0.00 5.79 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 I 8.09 3.90 1.88 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 1.61 0.52 0.91 0.00 0.00 91 N 7.23 5.03 0.00 2.70 2.79 0.00 0.00 7.06 7.78 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 92 H 9.13 4.25 0.00 3.08 3.38 0.00 5.86 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 93 D 8.34 4.93 0.00 2.68 2.81 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 94 D 9.15 5.29 0.00 2.69 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 95 C 8.95 5.07 0.00 1.97 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.82 4.83 0.00 1.74 1.51 0.95 0.98 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 97 E 9.29 5.04 0.00 2.34 1.48 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 2.22 2.40 0.00 98 I 8.76 4.77 1.81 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 1.07 0.97 0.86 0.00 0.00 99 A 8.59 5.12 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 0.00 100 V 8.37 4.42 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 1.07 0.00 0.00 0.95 0.00 0.00 101 L 9.26 5.24 0.00 1.37 1.24 0.85 0.51 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 0.00 102 K 9.07 4.45 0.00 0.93 1.18 0.00 1.16 0.00 0.00 1.36 0.00 0.00 2.68 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.85 0.21 7.81 103 G 7.67 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 0.00 104 D 7.76 4.62 0.00 2.65 2.75 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 0.00 0.00 0.00 0.00 *106 G 8.09 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 0.00 0.00 0.00 107 D 8.29 4.45 0.00 2.65 2.75 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 0.00 0.00 0.00 0.00 108 V 7.83 3.57 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 0.99 0.00 0.00 0.87 0.00 0.00 109 Q 8.37 4.02 0.00 2.32 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.45 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 110 H 8.43 3.95 0.00 3.43 3.45 0.00 5.65 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 F 9.33 4.12 0.00 3.09 3.30 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 0.00 112 A 8.38 4.29 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.10 4.38 0.00 2.96 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 0.00 114 D 7.65 4.54 0.00 2.48 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 0.00 115 V 8.02 4.01 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 0.38 0.00 0.00 0.54 0.00 0.00 116 I 7.49 3.72 1.84 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.91 0.91 0.00 0.00 117 A 7.82 3.85 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 0.00 118 Q 7.31 3.50 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.77 0.00 0.00 0.00 0.00 0.00 2.36 1.98 0.00 119 R 7.78 3.63 0.00 1.83 1.76 0.00 3.21 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.26 0.00 120 G 9.03 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 0.00 121 V 7.15 4.45 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 0.58 0.00 0.00 0.67 0.00 0.00 122 R 8.44 4.48 0.00 1.84 1.45 0.00 3.38 0.00 0.00 3.38 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 123 H 8.84 4.23 0.00 3.36 3.38 0.00 5.71 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 0.00 124 G 8.16 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 0.00 125 H 9.42 5.05 0.00 3.27 3.17 0.00 5.75 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.44 4.96 0.00 1.67 1.49 0.97 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 8.37 4.42 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.71 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 128 C 8.72 4.67 0.00 2.91 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 0.00 129 L 8.69 4.71 0.00 1.77 1.56 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 130 P 0.00 5.07 0.00 2.05 2.09 0.00 3.69 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 131 K 8.46 4.27 0.00 1.72 1.51 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.24 0.95 7.81 * Residues marked with a * may have inaccurate shift predictions.