NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7247 8.1633 118.3375 55.2764 33.7338 173.6283 2 I 4.9093 8.6797 120.1270 58.6468 40.8467 172.8199 3 L 5.0713 8.9739 129.5431 53.3370 44.9165 174.7542 4 V 5.0328 8.8067 125.7760 61.5485 34.3158 174.1349 5 T 5.4440 9.5972 121.8567 58.4913 71.7022 172.7277 6 G 4.2300 8.0271 110.1020 46.2041 0.0000 171.5623 7 G 4.3648 7.5264 105.3066 44.3989 0.0000 173.6042 8 A 4.0553 8.4684 122.7020 53.4022 18.3876 177.7139 9 R 3.8688 8.5498 123.4766 57.8843 27.1814 177.2307 10 S 4.4544 8.1057 110.8775 57.9819 64.3003 174.9191 11 G 4.0055 8.1540 109.7577 46.8938 0.0000 175.9275 12 K 4.0853 8.0929 122.2249 59.4627 32.7864 178.7144 13 S 4.1362 8.0293 115.9066 61.5160 62.8905 176.3282 14 R 3.9260 8.0032 120.8528 59.6911 29.6055 177.7604 15 H 3.9744 7.8973 116.2634 59.0428 30.1048 176.7153 16 A 4.0501 8.3258 122.8856 55.4910 18.1782 179.4072 17 E 4.2444 8.8456 116.8914 59.6905 29.2632 179.6516 18 A 4.0379 7.6749 120.1181 54.8604 18.4711 179.3463 19 L 3.9981 7.9269 117.4792 57.5542 40.5208 179.1959 20 I 3.8420 7.7838 119.6853 65.6967 37.3943 176.1091 21 G 4.0461 8.0913 107.7544 46.3931 0.0000 173.5251 22 D 4.6769 8.6061 118.0644 53.2964 40.1476 176.7333 23 A 4.0375 7.4090 121.8613 53.2064 18.0555 176.5377 24 P 4.3458 0.0000 0.0000 66.5971 31.7969 177.2186 25 Q 4.9641 8.1353 117.0990 53.7547 31.4727 176.2230 26 V 4.6924 8.3708 123.5692 59.8640 35.1107 173.6697 27 L 4.9854 8.5805 129.6714 53.4368 44.4801 174.1618 28 Y 4.5730 9.2563 128.3139 56.2603 40.4539 174.6767 29 I 4.7461 8.1675 129.4101 59.2341 38.1979 175.0577 30 A 4.9748 8.3896 130.6375 50.9763 19.3138 177.3017 31 T 4.5949 8.6529 112.7459 63.4127 69.8414 175.6933 32 S 4.2584 8.0322 118.3318 58.1160 63.7408 173.6929 33 Q 4.2488 8.4788 124.4597 55.5597 29.0837 176.2199 34 I 4.0358 8.1318 123.6475 60.4360 38.9320 175.6583 *41 A 4.4154 8.3830 122.4575 52.6229 19.8266 179.1819 42 R 3.9183 7.9864 114.1200 59.6254 30.6489 179.2025 43 I 4.1258 7.9100 120.5913 64.4911 37.3207 178.4625 44 Q 4.0989 8.3022 124.5475 61.6080 27.8646 182.5524 *45 H 4.7430 8.1753 124.1372 59.4116 27.8841 179.4679 *46 H 4.2568 7.3170 120.4846 59.9517 28.0280 180.2750 47 K 4.1023 7.8000 120.8942 59.6074 31.4679 178.9180 48 D 4.4989 7.7854 118.5050 56.9552 40.4793 178.7148 49 G 4.0048 7.7268 103.8480 43.2490 0.0000 172.7650 50 R 4.0989 7.7246 121.9381 52.7772 31.4412 174.1370 51 P 4.1110 0.0000 0.0000 62.6255 31.5838 176.1543 52 A 4.1339 8.5605 121.4703 55.5919 18.5638 178.4503 53 H 4.9122 8.4335 110.2092 55.7256 30.0478 174.6411 54 W 5.1365 8.1069 121.5326 56.4381 31.1836 176.0230 55 R 4.7693 8.7848 125.5217 55.7292 31.6397 171.6553 56 T 5.2990 8.5455 116.3740 61.9982 71.4094 173.6335 57 A 4.5304 9.5138 129.0918 50.3411 21.1350 175.3549 58 E 4.6869 9.1308 122.7565 55.6273 28.4200 175.7931 59 C 4.6068 8.1026 116.8165 56.2011 32.7463 173.8532 60 W 5.1606 7.7325 115.9930 55.9610 28.7075 174.9596 61 R 4.5650 7.4447 115.6050 56.2737 34.0324 174.6985 62 H 4.7082 8.3887 113.1578 56.2706 25.8726 175.5279 63 L 4.1533 7.4932 121.0035 56.9136 42.6443 179.3675 64 D 3.8775 8.0809 117.9020 56.0569 39.3226 178.2490 65 T 4.1416 7.7011 115.7658 65.0788 68.7136 175.1418 66 L 4.5780 7.6560 119.1472 54.9641 44.0995 176.7704 67 I 4.1563 8.3863 121.1542 60.1450 35.8605 174.8389 68 T 4.4706 7.6541 120.6908 61.5891 70.2715 176.2322 69 A 4.8962 8.6876 126.4535 54.4751 18.6444 178.6729 70 D 4.5319 7.9407 113.8251 54.6490 40.2294 176.9293 71 L 3.8471 7.2872 119.5032 55.0068 42.3200 176.8577 72 A 4.1294 8.5612 126.1973 51.2615 18.7727 175.9901 73 P 4.9239 0.0000 0.0000 65.5270 30.9867 177.8760 74 D 4.6005 8.0633 114.8794 54.9337 41.0409 175.5277 75 D 5.1312 8.3876 120.2634 52.9081 43.7533 175.0310 76 A 5.2007 8.5838 120.6580 50.6043 23.5249 174.9952 77 I 4.7540 9.2716 120.2319 59.2994 41.1764 174.8089 78 L 4.8882 8.6099 127.9928 53.2503 44.6509 174.5317 79 L 4.8276 9.3023 130.5387 53.4475 44.3176 175.0590 80 E 4.8703 8.9392 127.8965 55.2496 32.7731 173.3839 81 C 5.1113 9.1450 121.4413 55.6875 33.6398 175.2570 82 I 3.7548 9.2781 121.3911 64.9916 36.5731 178.9239 83 T 4.0775 7.9772 109.9359 65.0507 68.4908 176.5090 84 T 3.8005 7.8801 118.0119 66.6877 68.6057 175.8302 85 M 3.9626 7.8763 119.5810 58.7638 32.1478 178.3021 86 V 3.6516 7.8500 118.0221 66.4197 31.7959 177.8317 87 T 4.0634 8.1727 115.5435 67.1438 68.4007 176.2477 88 N 4.0889 8.2313 118.2704 55.9381 38.2509 177.4660 89 L 4.0955 7.8920 120.4294 57.8525 41.5748 179.4088 90 L 3.8788 7.7955 117.2527 58.0674 41.7283 179.6316 91 F 4.1624 8.1130 115.5532 59.9942 38.7956 177.4681 92 A 4.1995 7.7760 120.2387 55.2410 18.3916 179.2325 93 L 3.9084 7.5868 116.1949 56.4388 41.9069 177.3878 *98 D 4.4177 7.6230 117.9759 54.4654 41.4872 175.0388 99 P 2.0000 0.0000 0.0000 63.5030 31.7143 176.8073 100 E 4.1626 8.6575 120.2770 58.4853 29.7824 176.9875 101 Q 4.4830 7.8686 114.7788 56.3621 29.2294 175.1289 102 W 4.6436 7.9702 118.1154 56.5918 30.8559 177.5139 103 D 4.5988 8.0343 123.1257 52.2516 37.8473 175.9280 104 Y 4.2768 7.8405 122.0345 60.9427 38.2196 177.7634 105 A 4.0735 8.2733 120.4850 55.3671 18.3707 179.4520 106 A 3.9367 8.0495 118.5078 55.3579 18.5943 179.4288 107 M 3.8567 8.1350 117.5122 58.6385 32.0374 178.3195 108 E 3.9613 8.6432 119.5938 59.7525 29.7113 179.2027 109 R 3.9282 7.8676 117.5826 59.1195 30.2054 178.9620 110 A 4.1429 7.8607 120.1697 55.1152 18.4788 179.4928 111 I 3.6532 7.8401 118.4079 64.8971 37.2054 178.1924 112 D 4.3827 8.4994 118.8211 57.3129 41.0723 177.8982 113 D 4.3530 8.0261 119.7099 57.4125 40.8482 178.3950 114 E 3.9978 8.1749 119.2127 58.9575 29.4978 178.9072 115 I 3.8325 7.6055 120.0974 64.2247 37.1299 178.2725 116 Q 3.9166 8.4705 119.3899 58.8562 28.4362 178.5079 117 I 3.7519 7.6302 120.5291 64.3501 37.1117 177.7478 118 L 3.9318 7.8048 120.7427 58.5320 41.6311 179.1071 119 I 3.6531 8.0652 118.0418 64.4988 37.3412 177.8176 120 A 4.1051 8.7965 121.8081 55.0971 18.2054 179.2379 121 A 3.9414 8.6705 119.6146 55.8223 18.3147 179.5883 122 C 4.3057 8.1253 112.6077 61.9822 28.2124 175.7146 123 Q 4.2372 8.1821 119.7813 57.4929 28.6731 176.7260 124 R 4.5207 7.8122 116.7312 55.6264 31.3283 174.2656 125 C 4.8651 7.8936 119.2111 58.0328 32.3123 171.6705 126 P 4.3787 0.0000 0.0000 63.7671 31.5325 175.8723 127 A 5.0395 7.4739 119.7103 49.7504 20.4084 176.8725 128 K 4.0465 8.7279 121.3212 56.5131 33.4237 175.8362 129 V 4.8200 8.4972 127.2910 61.1527 34.1201 173.9591 130 V 4.8797 8.6552 128.2147 61.0406 34.3245 174.0402 131 L 5.1772 9.3294 127.6825 52.9093 44.9193 175.3804 132 V 4.8974 8.7591 123.4081 61.5842 34.1426 174.4069 133 T 4.9497 8.8334 120.9429 60.7840 71.6429 171.4744 134 N 5.6713 8.1889 116.6103 51.4588 42.3820 174.1653 135 E 4.5346 9.0633 120.8528 55.6601 30.3721 177.0541 136 V 4.4853 8.5532 114.4780 60.8961 34.1734 175.8681 137 G 4.0774 8.0880 108.1213 45.6911 0.0000 173.5721 138 M 4.4842 8.2022 116.7409 54.6484 32.5148 175.3658 139 G 4.4199 7.5570 107.1289 43.4421 0.0000 173.2882 140 I 4.0120 8.0390 119.5363 60.4197 37.9407 175.9078 141 V 3.7116 8.0528 122.4798 62.1794 31.7688 174.3380 142 P 4.4411 0.0000 0.0000 63.0567 31.8890 177.1627 143 E 4.1069 8.5926 117.4836 58.0797 30.4850 176.9373 144 N 4.6173 7.9151 116.6174 53.2802 40.2838 175.6752 145 R 3.8444 8.5208 127.5509 59.0996 29.6311 178.3551 146 L 3.7075 8.1221 120.9801 57.5399 42.2890 178.2536 147 A 4.5424 8.1129 120.6487 55.6100 18.1227 179.6728 148 R 3.7932 7.8785 116.7556 59.8146 30.0685 178.4685 149 H 4.0653 7.6393 115.8796 58.3128 28.6689 177.3396 150 F 4.2831 9.4633 122.9636 61.5526 39.1407 177.0527 151 R 3.4146 8.3013 118.4413 59.4211 29.6301 178.2353 152 D 4.2560 7.8398 118.5099 57.3597 40.7684 178.8023 153 I 3.6356 8.4491 120.7896 64.1336 37.0896 177.9806 154 A 3.8967 8.0502 122.1667 55.2667 18.0525 179.9730 155 G 3.4341 7.5534 103.7884 48.0475 0.0000 175.9725 156 R 3.9193 7.6359 121.0243 58.8948 30.1036 179.1816 157 V 3.5892 8.0020 118.1244 66.2337 31.4737 177.8492 158 N 4.3492 8.0462 116.0642 56.2459 38.2624 177.2706 159 Q 3.9597 8.1025 119.4247 59.0983 28.8578 179.0051 160 R 4.1068 7.7967 118.5962 59.4190 29.3665 178.8543 161 L 3.9253 7.8318 117.9731 57.9269 41.4897 179.3439 162 A 4.3231 8.2202 119.1466 55.4619 18.3896 179.3406 163 A 4.0386 8.6731 118.5538 54.9979 18.4440 179.2776 164 A 4.1322 8.2167 118.9060 53.7623 19.0496 178.1900 165 A 4.2393 8.6592 119.0739 52.8394 19.0680 176.9147 166 D 4.7145 9.1170 120.0684 55.9063 42.1779 177.3236 167 E 4.7215 8.0573 116.5471 54.4050 34.1728 174.9458 168 V 4.9953 7.9936 122.2248 60.9479 35.1961 173.9288 169 W 5.2448 9.1905 126.8417 54.8067 32.8531 173.7980 170 L 5.0085 9.5260 127.3163 53.4809 43.6546 174.9215 171 V 4.8700 8.7272 127.1815 61.0760 33.3649 175.1992 172 V 4.2907 9.7018 127.7629 60.7176 32.9328 175.9112 173 S 3.7601 9.7595 122.2939 59.5309 60.0971 173.5918 174 G 3.9548 8.8610 107.8837 45.3364 0.0000 173.8312 175 I 4.3552 8.0079 122.1256 59.6574 39.1102 174.9863 176 G 3.9833 8.7076 114.6285 45.3143 0.0000 172.9418 177 V 4.4798 9.3423 126.0159 60.8480 33.9251 174.7028 178 K 3.5973 8.5737 130.8985 55.7379 31.2720 176.1065 179 I 4.0376 8.2099 122.4533 61.8224 38.8791 176.0807 180 K 4.0016 7.3687 127.8427 56.4989 32.3270 175.2976 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 4.72 0.00 2.16 2.42 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.66 0.00 2 I 8.68 4.91 1.95 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.01 1.23 0.00 0.00 3 L 8.97 5.07 0.00 1.81 1.56 1.01 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 4 V 8.81 5.03 2.16 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 1.00 0.00 0.00 1.04 0.00 0.00 5 T 9.60 5.44 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 1.31 0.00 0.00 6 G 8.03 4.23 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 0.00 7 G 7.53 4.36 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 0.00 8 A 8.47 4.06 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 9 R 8.55 3.87 0.00 2.00 2.07 0.00 3.38 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 10 S 8.11 4.45 0.00 4.19 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 11 G 8.15 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 12 K 8.09 4.09 0.00 2.04 2.11 0.00 1.56 0.00 0.00 1.98 0.00 0.00 3.03 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.53 1.57 7.81 13 S 8.03 4.14 0.00 3.94 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 14 R 8.00 3.93 0.00 1.92 1.94 0.00 3.22 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 15 H 7.90 3.97 0.00 3.17 3.50 0.00 6.01 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.33 4.05 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 17 E 8.85 4.24 0.00 2.16 2.16 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 2.69 2.68 0.00 18 A 7.67 4.04 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 19 L 7.93 4.00 0.00 1.59 1.68 0.56 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.78 3.84 2.26 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 1.86 1.17 0.96 0.00 0.00 21 G 8.09 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 D 8.61 4.68 0.00 2.80 2.79 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 23 A 7.41 4.04 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 24 P 0.00 4.35 0.00 2.09 2.20 0.00 3.81 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 25 Q 8.14 4.96 0.00 1.72 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.77 0.00 0.00 0.00 0.00 0.00 2.17 2.13 0.00 26 V 8.37 4.69 1.50 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 -0.50 0.00 0.00 0.86 0.00 0.00 27 L 8.58 4.99 0.00 1.72 1.40 1.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 28 Y 9.26 4.57 0.00 2.99 2.99 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 29 I 8.17 4.75 1.71 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 1.05 1.66 0.87 0.00 0.00 30 A 8.39 4.97 1.56 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 0.00 0.00 31 T 8.65 4.59 4.36 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 1.36 0.00 0.00 32 S 8.03 4.26 0.00 4.02 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 33 Q 8.48 4.25 0.00 1.96 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.01 0.00 0.00 0.00 0.00 0.00 2.58 2.20 0.00 34 I 8.13 4.04 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.53 0.93 0.00 0.00 *41 A 8.38 4.42 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 42 R 7.99 3.92 0.00 1.86 2.02 0.00 3.29 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.62 0.00 43 I 7.91 4.13 1.89 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 1.21 0.95 0.00 0.00 44 Q 8.30 4.10 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 *45 H 8.18 4.74 0.00 2.91 3.10 0.00 7.24 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 *46 H 7.32 4.26 0.00 3.12 3.02 0.00 7.19 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 47 K 7.80 4.10 0.00 2.00 1.86 0.00 1.87 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.46 7.81 48 D 7.79 4.50 0.00 2.86 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 49 G 7.73 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 50 R 7.72 4.10 0.00 1.79 1.71 0.00 3.18 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.27 0.00 51 P 0.00 4.11 0.00 1.76 1.81 0.00 2.39 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.14 0.00 52 A 8.56 4.13 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 53 H 8.43 4.91 0.00 3.60 3.61 0.00 5.42 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 W 8.11 5.14 0.00 3.22 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 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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 72 A 8.56 4.13 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 73 P 0.00 4.92 0.00 2.23 2.35 0.00 3.86 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 2.09 1.98 0.00 74 D 8.06 4.60 0.00 2.70 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 75 D 8.39 5.13 0.00 2.82 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 76 A 8.58 5.20 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 77 I 9.27 4.75 1.80 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 1.03 0.69 0.85 0.00 0.00 78 L 8.61 4.89 0.00 1.37 1.31 1.25 0.59 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 79 L 9.30 4.83 0.00 1.58 1.45 0.90 0.59 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 80 E 8.94 4.87 0.00 1.85 1.66 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 2.28 2.31 0.00 81 C 9.15 5.11 0.00 3.12 2.99 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 82 I 9.28 3.75 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.10 0.95 0.00 0.00 83 T 7.98 4.08 4.46 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 1.35 0.00 0.00 84 T 7.88 3.80 4.53 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 1.19 0.00 0.00 85 M 7.88 3.96 0.00 2.39 2.17 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 2.95 2.71 0.00 86 V 7.85 3.65 2.49 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 1.13 0.00 0.00 1.08 0.00 0.00 87 T 8.17 4.06 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 1.25 0.00 0.00 88 N 8.23 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0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 109 R 7.87 3.93 0.00 2.00 1.96 0.00 3.18 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 1.66 1.91 0.00 110 A 7.86 4.14 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 0.00 111 I 7.84 3.65 2.12 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.42 0.95 0.00 0.00 112 D 8.50 4.38 0.00 2.77 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 0.00 113 D 8.03 4.35 0.00 2.93 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 0.00 114 E 8.17 4.00 0.00 2.18 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 2.35 2.38 0.00 115 I 7.61 3.83 1.99 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.99 0.92 0.00 0.00 116 Q 8.47 3.92 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 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0.00 3.03 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 0.00 126 P 0.00 4.38 0.00 2.22 2.06 0.00 3.79 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.09 0.00 127 A 7.47 5.04 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 0.00 128 K 8.73 4.05 0.00 1.87 1.69 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.39 7.81 129 V 8.50 4.82 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 0.97 0.00 0.00 130 V 8.66 4.88 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 0.94 0.00 0.00 0.93 0.00 0.00 131 L 9.33 5.18 0.00 1.57 1.52 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 132 V 8.76 4.90 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 0.98 0.00 0.00 0.97 0.00 0.00 133 T 8.83 4.95 4.27 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 1.30 0.00 0.00 134 N 8.19 5.67 0.00 2.65 2.72 0.00 0.00 7.00 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 0.00 135 E 9.06 4.53 0.00 1.81 1.89 0.00 0.00 0.00 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 2.44 0.00 136 V 8.55 4.49 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 0.83 0.00 0.00 137 G 8.09 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 0.00 0.00 0.00 138 M 8.20 4.48 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.57 0.00 139 G 7.56 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 0.00 0.00 0.00 0.00 140 I 8.04 4.01 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.44 0.91 0.00 0.00 141 V 8.05 3.71 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 0.76 0.00 0.00 0.91 0.00 0.00 142 P 0.00 4.44 0.00 2.07 1.96 0.00 3.70 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 143 E 8.59 4.11 0.00 1.99 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 2.23 1.86 0.00 144 N 7.92 4.62 0.00 2.76 2.69 0.00 0.00 6.87 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 0.00 145 R 8.52 3.84 0.00 1.89 1.88 0.00 3.26 0.00 0.00 3.32 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 146 L 8.12 3.71 0.00 1.64 1.72 1.14 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 147 A 8.11 4.54 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 0.00 148 R 7.88 3.79 0.00 1.97 1.91 0.00 2.99 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.54 0.00 149 H 7.64 4.07 0.00 2.47 2.98 0.00 5.88 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 F 9.46 4.28 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 0.00 151 R 8.30 3.41 0.00 1.93 2.07 0.00 3.24 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 152 D 7.84 4.26 0.00 2.86 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 0.00 153 I 8.45 3.64 1.86 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 1.50 0.72 0.93 0.00 0.00 154 A 8.05 3.90 0.75 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 0.00 0.00 155 G 7.55 3.43 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 0.00 156 R 7.64 3.92 0.00 1.79 1.98 0.00 3.14 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 157 V 8.00 3.59 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 1.04 0.00 0.00 0.96 0.00 0.00 158 N 8.05 4.35 0.00 2.88 2.85 0.00 0.00 7.04 7.83 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 0.00 159 Q 8.10 3.96 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.66 0.00 160 R 7.80 4.11 0.00 1.99 1.99 0.00 3.14 0.00 0.00 3.32 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 161 L 7.83 3.93 0.00 1.88 1.74 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 162 A 8.22 4.32 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 0.00 163 A 8.67 4.04 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 0.00 164 A 8.22 4.13 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 0.00 165 A 8.66 4.24 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 0.00 166 D 9.12 4.71 0.00 2.67 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 0.00 167 E 8.06 4.72 0.00 1.96 1.92 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 2.22 2.30 0.00 168 V 7.99 5.00 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 1.03 0.00 0.00 0.93 0.00 0.00 169 W 9.19 5.24 0.00 3.33 3.06 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 0.00 170 L 9.53 5.01 0.00 1.75 1.55 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 171 V 8.73 4.87 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 1.00 0.00 0.00 0.84 0.00 0.00 172 V 9.70 4.29 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 0.84 0.00 0.00 0.95 0.00 0.00 173 S 9.76 3.76 0.00 4.04 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 0.00 174 G 8.86 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 0.00 175 I 8.01 4.36 2.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.17 0.95 0.00 0.00 176 G 8.71 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 0.00 177 V 9.34 4.48 2.24 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 0.94 0.00 0.00 1.02 0.00 0.00 178 K 8.57 3.60 0.00 0.79 1.17 0.00 0.76 0.00 0.00 1.35 0.00 0.00 2.59 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.83 0.21 7.81 179 I 8.21 4.04 1.81 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 1.03 0.69 0.91 0.00 0.00 180 K 7.37 4.00 0.00 1.60 1.61 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.36 7.81 * Residues marked with a * may have inaccurate shift predictions.