NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5122 8.1633 118.2040 55.5459 33.0882 176.8526 2 S 4.0998 7.9431 115.7960 61.1300 62.7426 175.1237 3 Q 4.0078 8.7347 122.8822 59.0630 29.3933 177.7639 4 S 4.0743 8.0729 115.8787 61.8838 62.9004 176.1467 5 N 4.2883 9.0382 119.8691 56.3595 38.3444 177.4128 6 R 3.9172 7.7910 120.1730 59.5670 30.1924 178.2592 7 E 3.8994 8.2940 119.0391 58.9737 29.6082 178.5163 8 L 3.7904 8.0266 120.7203 57.9607 42.1313 179.0552 9 V 3.9096 8.2246 118.5896 66.2478 31.4576 178.1029 10 V 3.0475 7.7612 117.8761 65.7063 31.1589 177.3983 11 D 4.1631 8.0702 117.7006 57.3498 41.0988 178.0185 12 F 3.9596 8.1997 121.0617 61.3323 39.3947 177.0950 13 L 4.1946 8.3636 118.7077 57.9392 41.3650 179.6964 14 S 4.4194 8.4069 115.6297 61.5692 62.6385 176.0078 15 Y 3.9307 8.1962 122.5539 60.5291 38.5387 178.0949 16 K 3.6690 7.9899 120.4163 59.4222 32.2854 178.6677 17 L 4.1635 8.1022 119.1964 57.8631 41.5787 179.3254 18 S 4.4767 8.3683 113.1295 61.7303 62.1157 175.7245 19 Q 3.8058 7.7483 120.9149 59.1024 28.7109 177.9759 20 K 4.3885 7.8710 116.0892 56.1529 32.3355 177.6273 21 G 3.7349 8.1205 107.7304 45.5710 0.0000 173.1167 22 Y 4.6317 7.9139 117.1018 55.9376 40.0368 175.2934 23 S 4.0944 8.4073 115.7320 57.6544 63.1499 173.5260 24 W 4.9218 7.1282 120.7322 56.4152 28.3735 177.3915 25 S 4.0600 7.7990 116.4061 61.0793 62.2569 175.7450 26 Q 4.1627 7.2201 118.0831 56.8153 29.0325 177.0166 27 F 4.8617 7.2515 119.1459 56.7314 39.4145 175.9951 *82 P 4.2175 0.0000 0.0000 63.3378 32.0125 176.3092 83 M 3.7117 8.0223 121.9259 58.6955 32.7118 177.0629 84 A 3.8980 8.0995 119.9551 55.3103 18.5178 179.3301 85 A 3.9641 8.3365 119.5711 54.9607 18.3187 180.1444 86 V 3.6361 7.5727 116.4076 66.1027 31.6648 178.0506 87 K 3.7242 8.0756 118.4683 59.5944 31.9316 179.0474 88 Q 3.7727 7.9625 119.2602 59.0713 28.8996 178.0328 89 A 3.9786 8.0650 121.7936 55.1651 18.3255 179.4222 90 L 4.1448 8.4277 119.1373 58.2167 42.1381 179.2834 91 R 3.7257 8.1418 118.3393 59.3536 29.8782 178.9273 92 E 4.0450 8.2138 117.9946 59.2345 29.3631 179.1530 93 A 4.3563 8.5447 121.3334 55.3633 18.3944 179.9042 94 G 4.0561 8.7351 104.3738 48.2918 0.0000 175.5874 95 D 4.5640 8.4527 121.4077 57.1009 40.3382 178.5099 96 E 4.0330 8.6458 119.8891 59.2386 29.6389 178.5266 97 F 4.3198 8.7641 120.8571 61.6753 39.3692 177.0034 98 E 4.5694 8.6350 117.6551 58.2452 29.2719 178.7293 99 L 4.1172 7.6231 120.2371 57.8301 42.1885 178.7894 100 R 4.2703 7.4397 116.1682 57.6939 30.8099 176.2474 101 Y 4.3255 7.5528 124.0041 56.4126 38.5949 175.3535 102 R 4.3102 7.8459 122.6530 55.7207 30.2388 177.0029 103 R 3.5790 6.1848 120.2719 57.4049 30.2169 176.7192 104 A 3.8254 7.2794 118.3976 53.2541 16.0003 176.6473 105 F 4.1495 8.5344 115.1967 59.8056 37.6101 178.4180 106 S 4.3399 7.8425 118.1081 61.1931 62.6135 175.8271 107 D 4.3628 8.1722 119.8291 57.4342 41.1663 178.1238 108 L 4.0637 8.1214 119.2512 58.0969 41.6038 179.4866 109 T 4.1462 9.1199 110.3409 64.9960 68.4196 176.7717 110 S 4.2246 8.3514 117.5090 61.5945 62.9698 176.3739 111 Q 4.1797 8.3584 119.9911 58.3770 28.4294 177.9164 112 L 4.2662 7.7866 120.4113 55.3742 44.0024 176.3992 113 H 4.0363 9.0485 109.6666 56.5919 27.2656 172.9237 114 I 3.9885 7.6001 125.9836 61.8183 39.1059 174.8822 115 T 4.8013 8.8161 116.5258 59.1134 71.8705 173.0142 116 P 4.3490 0.0000 0.0000 64.8341 31.3417 177.7522 117 G 3.9174 7.5657 105.2152 46.4104 0.0000 174.6074 118 T 3.9771 8.1598 117.7704 63.7832 69.2303 173.6221 119 A 4.8873 8.2961 127.8467 50.5376 21.3557 176.9712 120 Y 2.6367 8.5784 120.8603 60.6250 38.5055 178.6973 121 Q 3.8310 8.1198 117.6762 59.7325 28.3124 179.2319 122 S 3.9761 7.7944 116.5383 61.0309 62.7776 176.2835 123 F 4.0025 7.4903 122.7926 61.2763 39.1587 176.3913 124 E 3.7284 8.1696 119.4357 59.3916 29.0740 178.6011 125 Q 3.8660 7.8028 118.4329 59.0827 29.3995 178.1729 126 V 3.5817 7.5101 119.1541 65.9207 31.5846 178.2299 127 V 3.0185 7.4778 118.2013 65.7486 31.1063 177.5204 128 N 4.5406 8.0653 117.5986 55.6935 38.0697 176.9301 129 E 3.8749 7.7492 119.2009 59.3490 29.5481 179.0704 130 L 3.8624 7.6503 117.8979 56.1433 41.7268 177.6272 131 F 4.9985 7.7119 118.3965 56.8354 39.5907 177.8191 132 R 3.9222 8.1965 119.5135 58.6040 29.3938 176.7866 133 D 4.6758 8.1871 116.7970 53.7000 41.1648 176.6074 134 G 3.7890 8.0834 107.3046 44.8050 0.0000 173.4146 135 V 3.9888 7.3235 117.6406 61.9087 32.6476 174.9249 136 N 3.3084 7.3132 121.0545 49.9331 41.0784 175.4864 137 W 4.7264 8.5540 120.9731 60.2377 29.1178 178.9768 138 G 3.8653 8.4885 105.0621 48.0412 0.0000 175.8164 139 R 3.7860 8.9280 120.6536 58.7360 29.9886 179.2305 140 I 4.0066 7.7807 120.0421 64.3118 37.0376 178.5483 141 V 3.6966 8.1768 118.9742 66.0026 31.4117 177.8621 142 A 3.3024 7.9404 120.6685 54.8258 18.1230 179.3194 143 F 3.9602 8.2140 119.0821 61.4541 39.4702 177.4013 144 F 3.4066 8.1466 117.2751 60.3614 38.5236 177.5515 145 S 4.5657 8.3376 113.0289 61.4548 62.1482 175.8745 146 F 3.6680 8.5168 123.7780 61.1131 38.9847 177.3041 147 G 3.5011 7.9215 105.3686 47.6007 0.0000 175.7929 148 G 3.8093 8.4681 107.9272 47.6585 0.0000 175.5823 149 A 4.0791 8.4266 123.7775 54.9044 18.3682 179.7457 150 L 3.8087 7.8513 117.7446 57.9676 41.5733 179.6002 151 C 4.0143 8.1377 116.7498 62.6742 28.0040 176.2107 152 V 3.0204 7.8077 119.9269 65.7947 31.2015 177.6101 153 E 3.8624 8.2042 118.9918 59.4440 29.4791 178.9582 154 S 4.0704 8.1002 115.2102 61.5761 62.7903 176.9324 155 V 3.5262 7.7371 120.9586 66.0394 31.0365 177.8689 156 D 4.4477 8.0699 117.6542 56.5122 40.6199 177.8311 157 K 4.3619 7.4602 116.5128 54.9961 32.6928 176.0287 158 E 3.8219 8.2733 117.5841 58.3287 27.5496 174.3450 159 M 4.8349 8.2400 113.9433 54.1443 33.4366 178.0942 160 Q 3.9308 8.0873 118.8146 58.8876 28.4990 177.7462 161 V 3.5657 7.5734 120.1426 64.5209 31.6337 177.6399 162 L 3.9041 8.0383 119.5556 56.4093 41.4543 179.1528 163 V 3.3944 7.3161 118.9654 66.0732 31.4173 178.1991 164 S 4.1759 7.6264 113.1604 61.1480 62.7448 176.2570 165 R 3.4614 7.4122 122.0356 59.1487 29.7676 178.3145 166 I 3.1766 7.6038 119.7791 64.0459 37.0143 178.2030 167 A 4.0470 8.0396 121.4013 55.1670 18.2545 179.6061 168 A 3.9842 7.8260 119.1954 55.0900 18.3882 179.8649 169 W 4.4521 8.3176 117.7914 60.3256 29.0680 178.6788 170 M 4.6333 8.6340 118.7868 58.5732 31.3964 178.6712 171 A 4.2132 8.2698 120.9594 55.4511 18.5407 179.8475 172 T 3.8039 8.2245 114.2285 67.0031 68.0255 176.2917 173 Y 4.1313 8.6749 123.0242 59.9508 38.8104 177.7145 174 L 3.8453 8.7110 121.6713 58.4367 42.0794 178.7967 175 N 4.3766 8.1499 114.9563 56.1077 38.4870 176.7948 176 D 4.2711 7.9615 118.5460 57.4259 41.5846 177.3867 177 H 4.3987 7.7996 114.5738 56.7446 29.5767 176.7057 178 L 4.1468 7.2969 119.5896 56.3516 42.4216 178.3413 179 E 3.9603 8.4102 118.9890 58.9004 29.2119 177.5261 180 P 4.1618 0.0000 0.0000 65.3968 31.5339 178.4118 181 W 3.8369 7.9677 126.4080 60.2796 30.6187 177.6943 182 I 3.2857 7.8642 119.8242 64.6843 36.3833 178.5453 183 Q 3.9026 8.2298 117.2338 58.5841 28.5491 177.9748 184 E 4.0597 7.4258 119.0464 57.2533 29.7901 176.4264 185 N 4.6368 7.0805 115.7431 53.3891 39.1303 175.3299 186 G 4.4471 8.2619 107.4675 45.2886 0.0000 175.6660 187 G 3.9013 8.4658 108.6750 44.7292 0.0000 174.1656 188 W 4.4053 8.5557 116.9912 59.2973 28.7107 178.3734 189 D 4.4581 8.2742 119.1722 57.7964 40.3347 178.6205 190 T 3.8456 7.9359 115.8383 66.1911 68.3833 176.6117 191 F 3.2334 7.6821 122.2083 60.9844 39.1286 177.0765 192 V 3.4099 8.0459 117.8583 66.1002 31.1301 177.4995 193 E 3.8418 8.0703 117.6810 59.0074 29.4169 177.9840 194 L 4.0642 7.5760 119.2909 56.6698 42.4419 177.1508 195 Y 4.5401 8.0040 114.0327 57.4122 39.6497 175.9247 196 G 3.8128 8.8914 114.3759 45.8798 0.0000 173.1709 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 1 M 8.16 4.51 0.00 2.37 2.48 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.68 0.00 2 S 7.94 4.10 0.00 3.98 3.96 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 3 Q 8.73 4.01 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.88 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 4 S 8.07 4.07 0.00 4.04 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 5 N 9.04 4.29 0.00 2.89 3.01 0.00 0.00 6.77 7.54 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 6 R 7.79 3.92 0.00 1.97 2.15 0.00 3.18 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 7 E 8.29 3.90 0.00 2.13 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 2.23 2.26 0.00 8 L 8.03 3.79 0.00 1.64 1.75 0.51 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.22 3.91 2.33 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 1.09 0.00 0.00 1.18 0.00 0.00 10 V 7.76 3.05 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 0.40 0.00 0.00 0.80 0.00 0.00 11 D 8.07 4.16 0.00 2.81 2.72 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 12 F 8.20 3.96 0.00 3.00 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 13 L 8.36 4.19 0.00 1.81 2.01 1.12 1.02 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 14 S 8.41 4.42 0.00 3.90 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 15 Y 8.20 3.93 0.00 2.92 2.92 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 16 K 7.99 3.67 0.00 1.75 1.90 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.57 7.81 17 L 8.10 4.16 0.00 2.16 2.07 1.19 0.60 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 18 S 8.37 4.48 0.00 3.51 3.86 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 19 Q 7.75 3.81 0.00 1.57 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.24 2.19 0.00 20 K 7.87 4.39 0.00 2.16 2.09 0.00 1.67 0.00 0.00 1.89 0.00 0.00 3.24 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.63 1.55 7.81 21 G 8.12 3.73 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 0.00 0.00 0.00 22 Y 7.91 4.63 0.00 3.15 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 23 S 8.41 4.09 0.00 3.60 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 24 W 7.13 4.92 0.00 3.82 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 25 S 7.80 4.06 0.00 3.67 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 26 Q 7.22 4.16 0.00 1.36 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.64 0.00 0.00 0.00 0.00 0.00 2.37 2.18 0.00 27 F 7.25 4.86 0.00 3.13 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 *82 P 0.00 4.22 0.00 2.22 2.05 0.00 3.69 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 83 M 8.02 3.71 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.84 0.00 84 A 8.10 3.90 1.29 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 0.00 0.00 0.00 85 A 8.34 3.96 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 86 V 7.57 3.64 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 0.79 0.00 0.00 1.03 0.00 0.00 87 K 8.08 3.72 0.00 1.88 1.88 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.50 7.81 88 Q 7.96 3.77 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 89 A 8.07 3.98 1.33 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 0.00 0.00 90 L 8.43 4.14 0.00 1.74 1.71 0.43 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.14 3.73 0.00 1.60 0.68 0.00 2.69 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 1.52 0.00 92 E 8.21 4.04 0.00 2.21 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 2.36 2.44 0.00 93 A 8.54 4.36 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 94 G 8.74 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 95 D 8.45 4.56 0.00 3.06 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 96 E 8.65 4.03 0.00 2.32 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 0.00 2.45 2.53 0.00 97 F 8.76 4.32 0.00 3.39 3.49 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 98 E 8.64 4.57 0.00 2.23 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 0.00 2.69 2.77 0.00 99 L 7.62 4.12 0.00 1.97 1.92 0.95 0.97 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 0.00 100 R 7.44 4.27 0.00 1.90 1.93 0.00 3.24 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 101 Y 7.55 4.33 0.00 2.54 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 0.00 0.00 0.00 0.00 102 R 7.85 4.31 0.00 1.78 1.83 0.00 3.02 0.00 0.00 3.09 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.40 0.00 103 R 6.18 3.58 0.00 1.45 1.23 0.00 3.35 0.00 0.00 3.42 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.55 0.00 104 A 7.28 3.83 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 0.00 105 F 8.53 4.15 0.00 3.70 3.48 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 0.00 106 S 7.84 4.34 0.00 3.99 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 0.00 107 D 8.17 4.36 0.00 2.85 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 L 8.12 4.06 0.00 2.16 1.65 0.57 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 109 T 9.12 4.15 4.61 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 1.43 0.00 0.00 110 S 8.35 4.22 0.00 4.14 4.03 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 0.00 111 Q 8.36 4.18 0.00 2.27 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.83 0.00 0.00 0.00 0.00 0.00 2.43 2.63 0.00 112 L 7.79 4.27 0.00 1.78 1.96 0.99 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 113 H 9.05 4.04 0.00 3.27 3.47 0.00 5.61 0.00 0.00 0.00 0.00 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.60 3.99 2.00 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 1.52 1.02 0.93 0.00 0.00 115 T 8.82 4.80 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 1.32 0.00 0.00 116 P 0.00 4.35 0.00 2.06 2.14 0.00 3.68 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 2.01 2.06 0.00 117 G 7.57 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 0.00 118 T 8.16 3.98 4.67 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 1.36 0.00 0.00 119 A 8.30 4.89 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 0.00 120 Y 8.58 2.64 0.00 2.67 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 0.00 121 Q 8.12 3.83 0.00 2.21 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.69 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 122 S 7.79 3.98 0.00 3.97 3.90 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 0.00 123 F 7.49 4.00 0.00 2.53 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 0.00 124 E 8.17 3.73 0.00 1.16 1.70 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 2.30 2.46 0.00 125 Q 7.80 3.87 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 126 V 7.51 3.58 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 0.86 0.00 0.00 0.97 0.00 0.00 127 V 7.48 3.02 1.18 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 0.17 0.00 0.00 -0.19 0.00 0.00 128 N 8.07 4.54 0.00 3.00 2.85 0.00 0.00 6.80 7.17 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 0.00 129 E 7.75 3.87 0.00 1.81 1.90 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 2.46 2.37 0.00 130 L 7.65 3.86 0.00 0.64 0.78 0.47 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 131 F 7.71 5.00 0.00 2.98 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 0.00 132 R 8.20 3.92 0.00 1.88 2.02 0.00 2.95 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 133 D 8.19 4.68 0.00 2.61 2.65 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 0.00 134 G 8.08 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 0.00 0.00 0.00 135 V 7.32 3.99 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 0.00 0.00 -0.03 0.00 0.00 0.40 0.00 0.00 136 N 7.31 3.31 0.00 2.85 2.57 0.00 0.00 6.11 8.88 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 0.00 137 W 8.55 4.73 0.00 3.82 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 0.00 138 G 8.49 3.87 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 0.00 0.00 0.00 139 R 8.93 3.79 0.00 1.98 1.67 0.00 3.03 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.39 0.00 140 I 7.78 4.01 2.25 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.73 1.26 0.00 0.00 141 V 8.18 3.70 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 1.16 0.00 0.00 1.04 0.00 0.00 142 A 7.94 3.30 1.14 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 0.00 0.00 143 F 8.21 3.96 0.00 3.19 3.37 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 0.00 144 F 8.15 3.41 0.00 2.79 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 0.00 145 S 8.34 4.57 0.00 4.31 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 0.00 146 F 8.52 3.67 0.00 1.66 2.72 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 0.00 147 G 7.92 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 0.00 148 G 8.47 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 0.00 0.00 0.00 149 A 8.43 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 150 L 7.85 3.81 0.00 1.64 1.58 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 151 C 8.14 4.01 0.00 3.12 2.92 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 0.00 152 V 7.81 3.02 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 1.05 0.00 0.00 0.88 0.00 0.00 153 E 8.20 3.86 0.00 2.21 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 2.31 2.36 0.00 154 S 8.10 4.07 0.00 3.93 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 0.00 155 V 7.74 3.53 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 1.13 0.00 0.00 0.80 0.00 0.00 156 D 8.07 4.45 0.00 2.82 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 0.00 157 K 7.46 4.36 0.00 1.73 1.81 0.00 1.87 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.72 7.81 158 E 8.27 3.82 0.00 2.09 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 0.00 2.24 2.40 0.00 159 M 8.24 4.83 0.00 1.92 2.02 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.40 0.00 160 Q 8.09 3.93 0.00 2.10 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.90 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 161 V 7.57 3.57 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 0.74 0.00 0.00 0.84 0.00 0.00 162 L 8.04 3.90 0.00 1.62 1.52 0.87 0.52 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 0.00 163 V 7.32 3.39 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 0.44 0.00 0.00 0.74 0.00 0.00 164 S 7.63 4.18 0.00 4.05 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 0.00 165 R 7.41 3.46 0.00 1.50 1.52 0.00 2.63 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.00 0.00 166 I 7.60 3.18 1.86 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.33 0.82 0.00 0.00 167 A 8.04 4.05 1.62 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 0.00 168 A 7.83 3.98 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 0.00 169 W 8.32 4.45 0.00 3.01 2.51 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 0.00 170 M 8.63 4.63 0.00 2.10 2.33 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.46 0.00 171 A 8.27 4.21 1.46 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 0.00 0.00 172 T 8.22 3.80 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 0.77 0.00 0.00 173 Y 8.67 4.13 0.00 3.75 3.48 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 0.00 174 L 8.71 3.85 0.00 2.18 1.91 1.34 0.93 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 0.00 175 N 8.15 4.38 0.00 2.81 2.87 0.00 0.00 7.10 7.57 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 0.00 176 D 7.96 4.27 0.00 2.54 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 0.00 177 H 7.80 4.40 0.00 2.27 2.72 0.00 5.71 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 L 7.30 4.15 0.00 1.62 1.46 0.12 -0.06 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 0.00 179 E 8.41 3.96 0.00 2.10 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 2.62 2.60 0.00 180 P 0.00 4.16 0.00 2.10 2.06 0.00 3.54 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 2.15 2.09 0.00 181 W 7.97 3.84 0.00 3.21 3.08 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 0.00 182 I 7.86 3.29 1.86 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 1.25 0.63 0.42 0.00 0.00 183 Q 8.23 3.90 0.00 1.97 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.00 0.00 0.00 0.00 0.00 0.00 2.67 2.51 0.00 184 E 7.43 4.06 0.00 1.80 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 2.13 2.12 0.00 185 N 7.08 4.64 0.00 1.44 2.21 0.00 0.00 7.20 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 0.00 186 G 8.26 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 0.00 0.00 0.00 0.00 187 G 8.47 3.90 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 0.00 188 W 8.56 4.41 0.00 3.53 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 0.00 189 D 8.27 4.46 0.00 2.75 2.76 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 0.00 190 T 7.94 3.85 4.47 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 1.27 0.00 0.00 191 F 7.68 3.23 0.00 2.43 3.32 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 0.00 192 V 8.05 3.41 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 0.93 0.00 0.00 1.11 0.00 0.00 193 E 8.07 3.84 0.00 2.00 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 0.00 2.27 2.29 0.00 194 L 7.58 4.06 0.00 1.65 1.50 0.86 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 195 Y 8.00 4.54 0.00 2.02 2.61 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 0.00 196 G 8.89 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.