NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 S 4.4256 8.3301 117.1008 57.9241 63.6270 174.2018 23 A 4.1454 8.4183 121.3103 52.6894 20.3745 175.3339 24 L 3.7823 8.4301 122.2586 58.5413 42.4429 177.2974 25 H 3.9843 8.0167 113.8747 59.0322 28.1853 177.2504 26 W 4.7302 7.4950 120.7349 59.5940 28.9013 178.6674 27 R 3.9572 8.0878 117.9620 59.1545 29.4654 178.9574 28 A 3.9694 8.6183 120.8355 54.9037 18.4664 179.4687 29 A 4.0410 8.2745 119.4730 55.2549 18.5183 180.0741 30 G 3.4990 8.1372 103.8975 47.9489 0.0000 175.5134 31 A 3.9728 8.2977 124.0533 54.9115 18.3688 179.5678 32 A 3.8880 8.3965 119.4190 55.4821 18.3520 180.1440 33 T 3.6870 7.6230 113.8852 66.7550 68.5803 177.2491 34 V 3.5536 7.7215 120.2014 65.9359 31.5839 177.8679 35 L 3.9858 8.2475 120.4380 57.7713 41.7680 178.7597 36 L 3.9045 7.8122 120.6698 57.9920 42.0389 178.9833 37 V 3.5666 7.8637 118.2520 66.1085 31.3233 178.1138 38 I 3.7280 7.8051 119.5864 64.3468 36.9505 178.6236 39 V 3.6105 7.9163 119.1555 65.7185 31.2462 178.1330 40 L 3.9558 8.2095 119.0647 57.7414 41.5515 179.3916 41 L 4.0303 7.9570 118.5185 57.9409 41.6446 179.4869 42 A 4.2106 8.4152 121.0393 55.2100 18.2214 179.9158 43 G 3.7960 8.7504 104.5885 48.0728 0.0000 176.1429 44 S 4.4450 8.7502 117.9979 61.5609 62.9982 176.1807 45 Y 4.4301 8.3608 122.1226 61.0346 38.6041 178.1443 46 L 4.0482 8.7968 120.0970 57.3969 41.5784 179.3612 47 A 3.8961 8.4276 121.2341 55.1401 18.3706 179.7386 48 V 3.4380 7.3236 116.4967 66.0626 31.3108 177.7949 49 L 3.7972 7.3408 118.1207 58.2384 41.9114 178.5264 50 A 4.2429 8.1149 119.8738 54.9082 18.7256 179.0589 51 E 4.0367 8.4851 117.5137 58.0601 29.7745 177.7730 52 R 4.1179 7.3434 117.8905 57.3329 30.5378 176.6053 53 G 3.9090 8.9363 109.6533 45.1928 0.0000 173.2354 54 A 4.4968 7.8832 123.5058 49.4888 19.5210 174.6507 55 P 4.3989 0.0000 0.0000 64.7747 31.8599 176.7343 56 G 3.9536 8.9048 110.5760 45.2579 0.0000 173.8960 57 A 3.9778 7.3971 122.2380 52.5879 18.6896 177.1864 58 Q 4.3751 8.2228 119.0005 55.8487 31.4007 176.1074 59 L 4.1741 7.4196 121.7638 54.4440 40.8231 176.2478 60 I 4.2972 7.2670 108.9719 60.4047 39.0538 176.3113 61 T 4.4199 7.1994 111.1239 59.5895 72.8586 174.2194 62 Y 4.2136 8.0737 120.4418 60.7704 37.9285 176.9205 63 P 4.3871 0.0000 0.0000 65.7813 31.5721 178.8956 64 R 4.2011 8.1194 113.9971 59.0502 29.4799 178.4123 65 A 4.2503 8.1418 121.7420 55.0787 18.3815 179.3286 66 L 4.6404 8.4731 120.4566 57.5728 42.1514 179.0513 67 W 4.4676 8.2209 128.7112 60.1986 30.6111 177.7316 68 W 3.9162 8.8729 129.0881 60.4418 30.0766 178.0541 69 S 3.1306 8.4880 114.4585 61.1345 62.3161 176.6898 70 V 3.4869 7.6317 122.0620 65.4444 31.2921 177.3643 71 E 3.8767 7.4517 117.0903 57.2945 29.5561 178.6524 72 T 3.7231 6.8848 116.8448 65.8270 68.9351 176.6142 73 A 3.9580 7.8136 124.1975 55.2146 18.3430 179.1772 74 T 3.8605 7.8745 104.8639 61.9301 69.3940 176.2620 75 T 3.3522 7.6281 111.1144 62.1271 67.9620 172.9709 76 V 3.2412 7.7365 122.8887 65.3668 31.9979 176.5447 77 G 3.9181 7.9897 107.7633 46.0216 0.0000 173.4980 78 Y 4.0040 7.5122 116.2665 59.9685 38.5699 178.9982 79 G 4.2596 8.0517 105.9488 45.2534 0.0000 173.8923 80 D 4.6896 8.1691 119.0288 55.0495 40.1126 176.5253 81 L 4.5380 7.5865 118.5611 53.4627 45.7306 174.4516 82 Y 4.7417 7.1716 117.4913 55.3868 40.0470 172.2546 83 P 4.4191 0.0000 0.0000 63.0614 32.0323 176.5424 84 V 4.3556 9.1571 112.7183 61.2002 33.4440 176.4574 85 T 4.5182 7.7389 111.1670 59.4785 72.0412 175.1557 86 L 3.7518 8.0379 122.8374 58.3824 41.9643 179.2983 87 W 4.8647 7.7326 118.3034 59.7968 28.9639 178.6277 88 G 3.6237 8.2289 105.7403 47.9748 0.0000 176.0506 89 R 4.1215 8.3478 120.7441 59.1006 30.1654 179.0001 90 C 4.2607 8.4526 116.8730 62.7166 28.1713 176.1895 91 V 3.7167 8.4053 120.0147 66.0492 31.1005 177.7693 92 A 4.3159 8.6426 120.9272 55.4398 18.1913 179.7460 93 V 3.5736 8.1950 116.7739 66.1915 31.5947 178.3946 94 V 3.6208 7.7921 117.5661 65.9228 31.2495 178.2134 95 V 3.5392 7.9061 117.9550 66.1619 31.4037 177.8475 96 M 3.9615 8.3030 118.7904 58.5589 31.7903 178.9745 97 V 3.6524 8.1849 118.4202 65.8909 31.5746 177.9283 98 A 4.0606 8.2972 120.8068 54.9165 18.1295 179.9325 99 G 3.8158 8.2638 105.7942 47.6120 0.0000 175.9529 100 I 3.8147 8.2457 123.4084 64.2873 37.0766 178.7301 101 T 3.8835 8.1562 116.5424 66.6826 68.1676 176.8115 102 S 4.0148 8.1851 117.1279 61.8657 62.8008 177.0088 103 F 4.2982 8.4240 120.5989 60.4108 38.5848 178.0531 104 G 3.6881 8.4109 105.5512 47.4293 0.0000 175.5630 105 L 4.0632 8.1219 122.5651 57.5999 42.0497 179.1440 106 V 3.7090 7.5334 118.7260 65.9963 31.4720 178.0795 107 T 3.8941 7.8394 115.1577 66.6800 68.2394 176.4973 108 A 3.9582 8.0491 122.4213 54.9681 18.3220 179.5843 109 A 3.5208 7.6724 118.9734 55.0336 18.3871 179.8603 110 L 3.8600 7.9460 117.2550 57.3312 41.5699 179.5922 111 A 3.9623 7.6411 121.0918 55.4439 18.3048 179.8523 112 T 3.6910 7.8716 114.2929 66.0245 68.3106 176.7954 113 W 4.2640 7.4694 130.1854 60.4575 30.8525 178.3015 114 F 4.3281 7.9337 117.7246 60.2494 38.0297 178.0180 115 V 3.7077 7.9204 117.7782 65.7976 31.7464 178.0751 116 G 3.8153 7.9818 108.0502 48.5299 0.0000 176.4191 117 R 4.4876 7.7980 124.9725 60.6054 29.0529 180.3434 118 E 4.1694 8.2570 119.9826 58.9436 29.5627 178.9139 119 Q 3.8508 7.9400 118.1397 58.4852 28.7318 178.4148 120 E 3.9334 7.9056 119.4139 59.4186 29.6456 178.8783 121 R 4.0647 7.7865 116.6107 58.2728 30.1201 176.8241 122 R 4.3836 7.2672 115.0620 55.3287 31.2514 175.9842 123 G 3.9884 8.9303 109.8465 47.9984 0.0000 174.2004 *124 H 4.4846 8.3245 117.4370 54.5060 28.8858 175.5269 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 22 S 8.33 4.43 0.00 3.65 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.42 4.15 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 24 L 8.43 3.78 0.00 1.74 1.59 0.90 0.87 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 25 H 8.02 3.98 0.00 3.07 3.39 0.00 5.71 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 W 7.50 4.73 0.00 3.38 2.96 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 0.00 0.00 0.00 27 R 8.09 3.96 0.00 2.00 1.98 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.96 0.00 28 A 8.62 3.97 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 29 A 8.27 4.04 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.14 3.50 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 31 A 8.30 3.97 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 32 A 8.40 3.89 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 33 T 7.62 3.69 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 1.15 0.00 0.00 34 V 7.72 3.55 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 0.97 0.00 0.00 0.90 0.00 0.00 35 L 8.25 3.99 0.00 1.84 1.80 0.90 0.60 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 36 L 7.81 3.90 0.00 1.81 1.72 0.90 0.54 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 37 V 7.86 3.57 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 0.98 0.00 0.00 0.96 0.00 0.00 38 I 7.81 3.73 2.02 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.76 0.90 0.00 0.00 39 V 7.92 3.61 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 0.85 0.00 0.00 0.99 0.00 0.00 40 L 8.21 3.96 0.00 1.91 1.73 0.93 0.86 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 41 L 7.96 4.03 0.00 1.86 1.74 0.92 0.86 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 42 A 8.42 4.21 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.75 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 44 S 8.75 4.44 0.00 4.23 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 0.00 45 Y 8.36 4.43 0.00 3.14 3.23 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 46 L 8.80 4.05 0.00 1.83 1.78 1.01 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.43 3.90 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 48 V 7.32 3.44 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 0.57 0.00 0.00 0.50 0.00 0.00 49 L 7.34 3.80 0.00 1.46 1.75 0.84 0.97 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 50 A 8.11 4.24 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 51 E 8.49 4.04 0.00 1.96 1.86 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 2.32 2.22 0.00 52 R 7.34 4.12 0.00 1.74 1.81 0.00 3.03 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 53 G 8.94 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 0.00 0.00 0.00 54 A 7.88 4.50 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 55 P 0.00 4.40 0.00 2.03 1.99 0.00 3.64 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 56 G 8.90 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 57 A 7.40 3.98 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 58 Q 8.22 4.38 0.00 1.80 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.59 0.00 0.00 0.00 0.00 0.00 2.17 2.32 0.00 59 L 7.42 4.17 0.00 1.19 1.26 0.59 -0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.27 4.30 1.74 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 1.43 0.75 0.84 0.00 0.00 61 T 7.20 4.42 4.21 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 1.14 0.00 0.00 62 Y 8.07 4.21 0.00 3.20 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 63 P 0.00 4.39 0.00 2.23 2.18 0.00 3.68 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 64 R 8.12 4.20 0.00 2.23 2.29 0.00 2.96 0.00 0.00 3.37 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.74 0.00 65 A 8.14 4.25 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.47 4.64 0.00 2.02 2.06 1.03 1.02 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 67 W 8.22 4.47 0.00 3.42 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 68 W 8.87 3.92 0.00 3.43 3.42 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 69 S 8.49 3.13 0.00 3.92 4.17 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 0.00 0.00 0.00 0.00 70 V 7.63 3.49 2.20 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 1.08 0.00 0.00 1.06 0.00 0.00 71 E 7.45 3.88 0.00 1.75 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 1.65 1.85 0.00 72 T 6.88 3.72 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 73 A 7.81 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 74 T 7.87 3.86 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 1.21 0.00 0.00 75 T 7.63 3.35 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 1.19 0.00 0.00 76 V 7.74 3.24 1.57 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 -0.34 0.00 0.00 0.69 0.00 0.00 77 G 7.99 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 0.00 0.00 0.00 78 Y 7.51 4.00 0.00 3.28 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 79 G 8.05 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 0.00 0.00 0.00 0.00 80 D 8.17 4.69 0.00 2.94 2.96 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 0.00 0.00 0.00 81 L 7.59 4.54 0.00 1.82 1.55 1.17 0.74 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 82 Y 7.17 4.74 0.00 3.06 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 83 P 0.00 4.42 0.00 2.19 1.85 0.00 3.99 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 84 V 9.16 4.36 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 0.83 0.00 0.00 0.97 0.00 0.00 85 T 7.74 4.52 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 1.18 0.00 0.00 86 L 8.04 3.75 0.00 1.45 1.10 0.72 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 87 W 7.73 4.86 0.00 3.39 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 88 G 8.23 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 89 R 8.35 4.12 0.00 2.03 2.04 0.00 3.12 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.88 0.00 90 C 8.45 4.26 0.00 3.46 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 91 V 8.41 3.72 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 1.29 0.00 0.00 1.15 0.00 0.00 92 A 8.64 4.32 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 0.00 0.00 0.00 0.00 0.00 93 V 8.19 3.57 2.28 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 1.10 0.00 0.00 1.02 0.00 0.00 94 V 7.79 3.62 2.30 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 0.97 0.00 0.00 1.03 0.00 0.00 95 V 7.91 3.54 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 0.79 0.00 0.00 1.01 0.00 0.00 96 M 8.30 3.96 0.00 2.05 2.21 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.49 0.00 97 V 8.18 3.65 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 1.09 0.00 0.00 0.96 0.00 0.00 98 A 8.30 4.06 1.38 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 0.00 0.00 0.00 99 G 8.26 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.25 3.81 1.94 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 1.53 1.04 0.93 0.00 0.00 101 T 8.16 3.88 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 1.20 0.00 0.00 102 S 8.19 4.01 0.00 3.75 3.59 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 0.00 103 F 8.42 4.30 0.00 3.22 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 0.00 104 G 8.41 3.69 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 0.00 0.00 0.00 105 L 8.12 4.06 0.00 1.83 1.82 0.90 0.83 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 0.00 106 V 7.53 3.71 2.31 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 1.08 0.00 0.00 0.99 0.00 0.00 107 T 7.84 3.89 4.45 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 1.24 0.00 0.00 108 A 8.05 3.96 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 0.00 109 A 7.67 3.52 1.12 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 0.00 0.00 110 L 7.95 3.86 0.00 1.82 1.41 1.05 0.90 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 0.00 111 A 7.64 3.96 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 0.00 112 T 7.87 3.69 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 0.89 0.00 0.00 113 W 7.47 4.26 0.00 3.05 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 0.00 114 F 7.93 4.33 0.00 3.08 2.82 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 0.00 0.00 0.00 115 V 7.92 3.71 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 0.80 0.00 0.00 0.96 0.00 0.00 116 G 7.98 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 117 R 7.80 4.49 0.00 1.85 1.96 0.00 3.26 0.00 0.00 3.19 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.37 0.00 118 E 8.26 4.17 0.00 2.17 2.14 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 2.27 2.37 0.00 119 Q 7.94 3.85 0.00 2.33 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.60 0.00 0.00 0.00 0.00 0.00 2.66 2.54 0.00 120 E 7.91 3.93 0.00 2.19 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 2.42 2.61 0.00 121 R 7.79 4.06 0.00 1.78 1.94 0.00 3.16 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 122 R 7.27 4.38 0.00 1.83 1.89 0.00 3.35 0.00 0.00 3.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.75 0.00 123 G 8.93 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 *124 H 8.32 4.48 0.00 2.90 2.78 0.00 7.24 0.00 0.00 0.00 0.00 6.91 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.