NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.6340 8.3649 120.2584 53.1955 40.9202 174.8258 6 F 4.7023 8.3293 118.9994 55.4904 41.6567 170.4222 7 E 3.8615 9.1109 122.4031 57.2770 30.7551 173.8256 8 E 3.8294 8.2032 135.0000 55.4723 27.9541 173.3308 9 K 4.6110 9.5751 127.8768 54.3178 35.1596 174.8251 10 M 4.6285 8.5434 123.1284 54.3920 31.7627 175.1242 11 I 4.1874 7.8369 126.7327 61.3034 36.9785 175.2713 12 L 4.9241 7.7537 121.4636 54.1386 44.0773 175.0542 13 I 5.9308 8.6406 120.9920 58.7588 40.2986 174.6941 14 R 4.7983 8.8681 122.2417 53.6231 33.3031 175.0813 15 R 5.0691 8.0560 116.2932 54.7384 30.0040 174.3568 16 T 3.9872 7.7242 108.7568 62.6505 69.7707 173.4777 17 A 4.2807 7.3842 121.4353 52.8707 22.0501 174.8361 18 R 4.1470 7.3516 106.3466 55.8652 32.9284 174.9149 19 M 4.4481 8.9398 123.8628 55.0972 32.9862 175.6359 20 Q 4.4817 8.3338 119.3652 56.0342 32.8151 173.0354 21 A 3.6272 8.0546 125.0050 52.0869 19.2385 175.5398 22 G 4.0127 9.4483 118.5468 44.0518 0.0000 175.6755 23 G 4.2896 8.1809 111.9797 43.8992 0.0000 171.3777 24 R 4.7500 8.4533 117.8484 54.7379 32.2552 175.9710 25 R 4.5988 8.7709 122.3047 54.9180 32.7568 175.0212 26 F 4.7846 9.1336 126.9923 58.4346 41.6488 174.7599 27 R 4.5640 7.0653 123.2388 56.8405 31.6541 173.4130 28 F 5.2560 7.9061 119.1065 55.6725 44.2678 173.8196 29 G 4.3870 9.3999 106.3974 44.5194 0.0000 171.8127 30 A 5.2751 9.4468 127.0368 50.2622 21.9621 174.8539 31 L 5.0211 9.0872 126.1679 54.3778 43.4165 174.9184 32 V 4.8154 9.1962 127.3699 61.0149 33.7973 174.3824 33 V 4.7615 8.7815 127.9892 61.2951 33.9531 174.5194 34 V 4.8101 9.3343 126.6946 61.2550 34.9830 174.3407 35 G 4.3163 8.5563 113.0345 44.7935 0.0000 172.8348 36 D 4.5600 9.1833 120.5007 54.2106 40.7470 177.2327 37 R 4.7348 9.3690 114.7574 56.6978 25.5362 175.0976 38 Q 4.5232 7.3172 114.3733 56.1035 35.0342 173.9098 39 G 3.2453 6.5302 109.0626 44.7545 0.0000 173.0674 40 R 5.0936 9.0952 121.1221 54.6652 34.0601 174.8282 41 V 4.8131 8.8573 116.5788 59.7685 36.8983 174.5457 42 G 4.2737 9.6343 109.3215 43.4073 0.0000 171.1883 43 L 5.1034 8.5492 125.3067 52.9387 44.3065 175.6482 44 G 4.3568 9.5088 112.9269 44.3378 0.0000 170.9326 45 F 5.6470 8.9345 123.8963 56.2323 41.8246 174.2641 46 G 4.0131 10.6738 113.6870 44.2957 0.0000 172.0494 47 K 5.0931 8.0650 122.9595 53.6341 34.7944 175.3783 48 A 4.4680 8.5178 123.5887 50.4502 22.1607 175.2452 49 P 4.2260 0.0000 0.0000 64.2457 32.2515 175.3141 50 E 4.7721 8.6617 119.1749 53.6488 32.9459 175.4836 51 V 3.4870 7.7338 119.8537 64.9347 31.3533 175.5247 52 P 4.1417 0.0000 0.0000 66.3417 31.1983 178.0271 53 L 4.0943 8.0511 115.3590 58.1923 41.6290 179.2085 54 A 4.2081 8.1912 119.5199 55.5760 18.4325 179.8096 55 V 3.5359 8.1970 116.6249 66.3560 31.6716 177.4130 56 Q 4.0136 8.9490 120.1888 59.7413 28.3303 178.9024 57 K 4.0394 9.2147 119.8477 59.4975 31.6807 178.9716 58 A 4.3206 8.6694 121.3695 55.7197 18.3195 179.4386 59 G 3.6451 8.8676 104.4672 47.8455 0.0000 174.7235 60 Y 4.1513 8.9720 122.1244 60.4893 38.6270 178.7024 61 Y 3.8926 9.2999 116.4582 61.5786 38.3137 177.4392 62 A 3.9960 9.6141 121.8430 55.3677 18.1088 179.8459 63 R 3.8388 8.4953 116.6723 59.1890 30.4909 178.4440 64 R 3.9732 7.3544 116.6101 57.9809 30.4411 175.6222 65 N 5.0595 8.7162 117.6985 52.2160 41.7556 173.6246 66 M 5.0157 8.2778 123.5932 54.6608 36.8558 173.8885 67 V 4.6363 9.3812 118.7853 60.1962 34.9768 174.5298 68 E 4.4379 8.8020 121.1412 56.9056 30.4368 177.0455 69 V 4.3415 8.6193 121.3447 59.8643 31.5774 172.5104 70 P 4.3925 0.0000 0.0000 62.5002 29.1396 174.7319 71 L 4.2766 7.8200 125.3098 54.4971 41.6292 175.5344 72 Q 4.2939 8.4124 126.3167 55.2828 29.7916 174.9290 73 N 4.4441 9.6982 124.9676 53.7337 38.3010 174.2184 74 G 4.2301 8.1420 105.2340 45.7611 0.0000 172.0890 75 T 4.7962 7.3939 112.1330 59.5951 70.5629 173.0404 76 I 3.7515 8.3247 127.2128 60.6782 37.9733 174.6812 77 P 5.1734 0.0000 0.0000 65.2483 32.0032 175.4228 78 H 5.0743 7.5102 115.7876 54.0035 31.3350 171.7074 79 E 5.3543 9.1680 117.3431 55.0533 32.1604 175.7395 80 I 4.4347 7.9434 113.4116 59.9944 40.8504 174.0414 81 E 5.1126 8.7538 126.8021 54.5920 28.9666 173.7633 82 V 3.9594 8.4132 121.0715 61.8177 32.9618 174.3046 83 E 4.7131 8.8151 130.4431 54.0712 30.2584 176.5660 84 F 4.7951 8.4220 134.8341 57.7107 38.4111 175.4583 85 G 3.7286 7.7336 108.2568 46.1807 0.0000 173.6326 86 A 3.6404 7.5437 121.3832 55.0184 19.7553 179.1608 87 S 4.8517 7.8482 108.4873 56.9492 65.9612 173.0393 88 K 5.0836 8.5402 121.5115 54.9851 35.8429 174.7635 89 I 5.2450 8.7387 124.9431 59.4374 42.1665 174.2029 90 V 5.5468 8.8316 119.4502 58.6270 36.1027 174.7621 91 L 5.1322 8.3367 122.2130 53.1800 46.0270 175.1572 92 K 4.9498 9.9673 124.0281 53.3944 35.1193 173.9615 93 P 4.4464 0.0000 0.0000 63.1887 31.3423 176.4812 94 A 4.3587 8.3384 131.9115 51.7794 18.1506 177.5585 95 A 4.3945 8.2133 119.1033 51.4853 20.6675 173.8712 96 P 5.0448 0.0000 0.0000 66.2755 30.4878 176.3236 97 G 4.1819 9.4720 113.0035 46.0526 0.0000 173.7089 98 T 4.1472 7.2745 115.5578 65.1479 69.7867 174.7527 99 G 3.6081 8.1474 105.2094 44.1036 0.0000 172.4744 100 V 4.2483 8.1073 119.2104 61.9064 31.4069 175.6477 101 I 4.3974 8.1266 123.9533 59.2760 37.9200 174.3868 102 A 4.5693 7.8295 130.3579 51.8203 22.1348 175.4693 103 G 3.8078 8.0834 104.5340 44.5933 0.0000 174.8807 104 A 3.8542 8.5993 122.6736 55.1677 18.3263 179.6849 105 V 3.8024 7.3853 115.5390 64.8587 31.6816 175.9719 106 P 4.2641 0.0000 0.0000 65.9679 31.0639 178.2199 107 R 3.7912 8.4006 118.5348 59.3042 29.8837 178.1348 108 A 4.0086 7.6041 119.4102 55.9698 18.5223 178.2519 109 I 3.9498 7.6873 118.1159 62.4646 37.0659 177.7943 110 L 3.9061 8.5667 120.1398 58.3414 41.9009 179.2072 111 E 4.0814 8.1594 118.8365 59.6056 29.4130 179.0029 112 L 3.9233 8.0028 117.6625 57.9858 41.3495 179.2270 113 A 3.9595 7.7153 120.2928 54.0541 18.0103 178.5292 114 G 3.9326 7.8823 102.9064 45.3260 0.0000 174.7332 115 V 3.6836 7.1985 120.1151 64.0870 31.5996 174.2907 116 T 4.3616 8.7356 122.3863 64.3376 70.7439 173.8284 117 D 5.1604 7.6692 121.1506 52.6305 43.6505 174.5096 118 I 4.8163 8.7677 123.3705 59.7365 41.7257 173.1833 119 L 4.7128 9.3471 129.8201 54.1806 43.2483 175.9975 120 T 5.0497 7.7064 112.5055 60.6961 72.6269 172.5958 121 K 4.3044 8.2268 118.6080 56.0858 36.0842 173.4955 122 E 5.2194 8.9276 124.9172 54.9810 32.3823 175.2086 123 L 4.2108 8.5506 120.4226 55.8886 46.3500 176.2352 124 G 3.8928 9.3046 112.2698 46.4584 0.0000 174.9404 125 S 4.5334 8.5836 111.4393 57.6234 64.2214 173.4527 126 R 4.4797 8.1238 118.8570 55.1801 32.3207 173.8372 127 N 4.0485 8.4395 118.3159 53.8623 38.0924 174.4714 128 P 4.0455 0.0000 0.0000 65.0375 33.5538 178.0654 129 I 3.3909 8.7950 114.9627 64.8249 36.1306 179.7267 130 N 4.1156 8.5220 123.9503 55.8171 39.5784 175.5329 131 I 3.6454 7.3444 119.7043 65.2385 37.6679 177.2888 132 A 3.5133 9.2817 119.1733 55.9592 17.8948 178.7929 133 Y 3.8588 8.5576 112.9050 60.5682 38.5169 179.1217 134 A 3.8949 7.9129 121.4591 55.2161 18.1164 179.7535 135 T 3.9252 8.3645 114.2762 66.6843 68.2935 176.3495 136 M 4.0923 7.7863 121.1089 57.6340 32.1416 177.9100 137 E 3.8463 8.0391 118.1220 60.4230 29.5799 178.7820 138 A 3.9823 7.7369 117.8205 55.5681 18.4920 179.1293 139 L 3.8848 7.9336 113.4562 57.8697 41.9012 179.7669 140 R 3.9000 8.1056 118.0935 59.7591 30.1258 178.1194 141 Q 4.4074 8.6853 116.4608 55.6483 30.1558 175.7337 142 L 4.7968 7.0944 119.0995 53.3503 43.9282 176.5507 143 R 4.7370 8.4479 118.9678 54.9252 34.4294 174.6116 144 T 4.5799 8.9893 111.8397 59.5594 70.8284 175.7515 145 K 3.7975 8.7259 125.2341 59.6017 32.3136 177.1866 146 A 4.0493 7.6327 120.8064 54.8288 18.3209 177.7093 147 D 4.5402 7.3073 120.0343 54.9799 40.1578 178.7796 148 V 3.7786 8.0315 121.3446 65.3319 31.4151 177.2193 149 E 3.8220 8.8419 118.2979 59.2002 29.3879 178.8092 150 R 4.0277 8.0358 118.4310 58.0658 30.0802 176.9137 151 L 4.5278 8.2068 117.2172 56.5394 44.2716 177.5322 152 R 4.4331 7.4532 117.6329 56.0369 30.0977 175.8067 153 K 4.6018 8.7082 121.0811 56.8841 33.8918 177.0898 154 G 2.9403 8.8440 111.3223 46.7166 0.0000 173.2442 *155 E 4.1319 7.5458 118.9063 56.2818 30.4399 177.4842 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 5 D 8.36 4.63 0.00 2.77 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.33 4.70 0.00 3.03 3.25 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 7 E 9.11 3.86 0.00 1.98 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 2.35 2.32 0.00 8 E 8.20 3.83 0.00 2.21 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 0.00 2.20 2.32 0.00 9 K 9.58 4.61 0.00 1.64 1.59 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.35 7.81 10 M 8.54 4.63 0.00 2.19 2.09 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 2.54 2.51 0.00 11 I 7.84 4.19 1.88 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 1.29 0.79 0.91 0.00 0.00 12 L 7.75 4.92 0.00 1.68 1.75 0.89 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.64 5.93 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 1.05 1.01 0.95 0.00 0.00 14 R 8.87 4.80 0.00 1.94 2.11 0.00 2.99 0.00 0.00 3.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.71 0.00 15 R 8.06 5.07 0.00 2.11 2.07 0.00 2.93 0.00 0.00 3.58 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.48 0.00 16 T 7.72 3.99 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 1.26 0.00 0.00 17 A 7.38 4.28 0.29 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 18 R 7.35 4.15 0.00 1.72 1.89 0.00 2.71 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.49 0.00 19 M 8.94 4.45 0.00 1.88 1.99 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.41 0.00 20 Q 8.33 4.48 0.00 2.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.47 0.00 0.00 0.00 0.00 0.00 2.09 2.21 0.00 21 A 8.05 3.63 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 22 G 9.45 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 23 G 8.18 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 0.00 0.00 0.00 0.00 24 R 8.45 4.75 0.00 1.62 1.63 0.00 3.18 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 25 R 8.77 4.60 0.00 1.77 1.68 0.00 3.07 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 26 F 9.13 4.78 0.00 2.72 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 27 R 7.07 4.56 0.00 1.79 1.78 0.00 3.12 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.36 0.00 28 F 7.91 5.26 0.00 3.06 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 29 G 9.40 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 30 A 9.45 5.28 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 31 L 9.09 5.02 0.00 1.67 1.60 0.72 0.56 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 32 V 9.20 4.82 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 0.78 0.00 0.00 0.99 0.00 0.00 33 V 8.78 4.76 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 0.92 0.00 0.00 0.90 0.00 0.00 34 V 9.33 4.81 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 0.91 0.00 0.00 0.93 0.00 0.00 35 G 8.56 4.32 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 0.00 36 D 9.18 4.56 0.00 2.90 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 37 R 9.37 4.73 0.00 1.96 2.32 0.00 3.31 0.00 0.00 3.90 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 38 Q 7.32 4.52 0.00 2.44 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.76 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 39 G 6.53 3.25 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 0.00 40 R 9.10 5.09 0.00 1.92 1.85 0.00 3.14 0.00 0.00 3.29 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 41 V 8.86 4.81 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 0.77 0.00 0.00 0.88 0.00 0.00 42 G 9.63 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 0.00 0.00 0.00 0.00 43 L 8.55 5.10 0.00 1.50 1.36 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.51 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 45 F 8.93 5.65 0.00 2.97 2.97 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 0.00 46 G 10.67 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 47 K 8.06 5.09 0.00 1.37 1.53 0.00 0.72 0.00 0.00 0.61 0.00 0.00 2.73 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.95 0.61 7.81 48 A 8.52 4.47 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 49 P 0.00 4.23 0.00 2.11 2.20 0.00 3.68 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 50 E 8.66 4.77 0.00 2.01 1.77 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 2.20 2.25 0.00 51 V 7.73 3.49 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 0.89 0.00 0.00 0.38 0.00 0.00 52 P 0.00 4.14 0.00 2.18 2.07 0.00 3.68 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 53 L 8.05 4.09 0.00 1.71 1.73 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.19 4.21 1.51 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 55 V 8.20 3.54 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 1.02 0.00 0.00 0.99 0.00 0.00 56 Q 8.95 4.01 0.00 2.12 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.53 0.00 0.00 0.00 0.00 0.00 2.45 2.65 0.00 57 K 9.21 4.04 0.00 1.97 2.12 0.00 1.76 0.00 0.00 1.83 0.00 0.00 3.40 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.63 7.81 58 A 8.67 4.32 1.51 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 59 G 8.87 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 60 Y 8.97 4.15 0.00 3.03 3.01 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 61 Y 9.30 3.89 0.00 3.38 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 62 A 9.61 4.00 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 63 R 8.50 3.84 0.00 1.72 1.97 0.00 3.16 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 64 R 7.35 3.97 0.00 2.06 2.18 0.00 3.17 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 1.67 1.69 0.00 65 N 8.72 5.06 0.00 2.79 2.61 0.00 0.00 7.00 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 66 M 8.28 5.02 0.00 1.84 1.83 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.38 0.00 67 V 9.38 4.64 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 0.73 0.00 0.00 0.90 0.00 0.00 68 E 8.80 4.44 0.00 2.00 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 2.27 2.30 0.00 69 V 8.62 4.34 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 0.81 0.00 0.00 0.99 0.00 0.00 70 P 0.00 4.39 0.00 2.22 2.10 0.00 3.80 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 71 L 7.82 4.28 0.00 1.84 1.65 0.97 0.85 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 72 Q 8.41 4.29 0.00 2.20 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 5.49 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 73 N 9.70 4.44 0.00 2.87 2.76 0.00 0.00 6.96 7.98 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 74 G 8.14 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 75 T 7.39 4.80 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 76 I 8.32 3.75 1.85 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 1.42 0.62 0.89 0.00 0.00 77 P 0.00 5.17 0.00 2.33 2.28 0.00 3.26 0.00 0.00 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.92 0.00 78 H 7.51 5.07 0.00 3.14 3.25 0.00 5.51 0.00 0.00 0.00 0.00 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 9.17 5.35 0.00 1.87 1.93 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 2.25 2.21 0.00 80 I 7.94 4.43 1.87 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 1.31 0.75 0.89 0.00 0.00 81 E 8.75 5.11 0.00 1.86 1.93 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 2.22 2.28 0.00 82 V 8.41 3.96 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 0.97 0.00 0.00 0.96 0.00 0.00 83 E 8.82 4.71 0.00 2.04 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 2.31 2.31 0.00 84 F 8.42 4.80 0.00 2.96 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 85 G 7.73 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 86 A 7.54 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 87 S 7.85 4.85 0.00 3.88 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 88 K 8.54 5.08 0.00 1.75 1.59 0.00 1.59 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.39 7.81 89 I 8.74 5.25 1.88 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 1.23 1.52 0.92 0.00 0.00 90 V 8.83 5.55 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 1.01 0.00 0.00 1.00 0.00 0.00 91 L 8.34 5.13 0.00 1.56 1.48 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 92 K 9.97 4.95 0.00 1.77 1.68 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.34 7.81 93 P 0.00 4.45 0.00 2.07 2.18 0.00 3.76 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 94 A 8.34 4.36 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 95 A 8.21 4.39 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 96 P 0.00 5.04 0.00 2.07 1.96 0.00 3.70 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.10 0.00 97 G 9.47 4.18 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 0.00 0.00 0.00 98 T 7.27 4.15 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 99 G 8.15 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 0.00 0.00 0.00 0.00 100 V 8.11 4.25 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 0.84 0.00 0.00 0.96 0.00 0.00 101 I 8.13 4.40 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 1.26 1.04 0.91 0.00 0.00 102 A 7.83 4.57 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 0.00 103 G 8.08 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 0.00 104 A 8.60 3.85 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 0.00 105 V 7.39 3.80 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 1.07 0.00 0.00 0.93 0.00 0.00 106 P 0.00 4.26 0.00 2.29 2.30 0.00 3.84 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.04 0.00 107 R 8.40 3.79 0.00 1.93 2.03 0.00 3.13 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 1.65 0.00 108 A 7.60 4.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.69 3.95 1.99 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.03 0.88 0.00 0.00 110 L 8.57 3.91 0.00 1.64 1.74 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.16 4.08 0.00 2.06 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 2.40 0.00 112 L 8.00 3.92 0.00 1.87 1.72 1.00 0.72 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 0.00 113 A 7.72 3.96 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 0.00 114 G 7.88 3.93 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 0.00 0.00 0.00 115 V 7.20 3.68 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 0.79 0.00 0.00 0.94 0.00 0.00 116 T 8.74 4.36 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 0.00 117 D 7.67 5.16 0.00 2.56 2.59 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 0.00 118 I 8.77 4.82 1.87 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 1.22 1.10 0.91 0.00 0.00 119 L 9.35 4.71 0.00 1.76 1.56 0.92 0.71 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 0.00 120 T 7.71 5.05 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 1.20 0.00 0.00 121 K 8.23 4.30 0.00 1.88 1.62 0.00 1.48 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.21 1.33 7.81 122 E 8.93 5.22 0.00 1.87 1.83 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 2.22 2.31 0.00 123 L 8.55 4.21 0.00 1.57 1.49 0.93 0.81 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 0.00 124 G 9.30 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 125 S 8.58 4.53 0.00 3.84 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 0.00 126 R 8.12 4.48 0.00 1.77 1.86 0.00 3.64 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 127 N 8.44 4.05 0.00 2.70 2.75 0.00 0.00 7.16 8.52 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 0.00 128 P 0.00 4.05 0.00 2.06 1.98 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.16 0.00 129 I 8.80 3.39 1.69 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.66 0.53 0.00 0.00 130 N 8.52 4.12 0.00 2.80 3.02 0.00 0.00 6.80 7.46 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 0.00 131 I 7.34 3.65 1.87 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 1.82 0.79 0.92 0.00 0.00 132 A 9.28 3.51 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 0.00 133 Y 8.56 3.86 0.00 2.27 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 0.00 0.00 0.00 0.00 134 A 7.91 3.89 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 0.00 135 T 8.36 3.93 4.30 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 1.18 0.00 0.00 136 M 7.79 4.09 0.00 1.90 2.10 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.60 0.00 137 E 8.04 3.85 0.00 1.89 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 0.00 2.29 2.56 0.00 138 A 7.74 3.98 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 0.00 139 L 7.93 3.88 0.00 1.78 1.72 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 140 R 8.11 3.90 0.00 1.84 2.15 0.00 3.39 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 141 Q 8.69 4.41 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.47 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 142 L 7.09 4.80 0.00 1.76 1.54 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 143 R 8.45 4.74 0.00 1.74 1.78 0.00 3.36 0.00 0.00 3.30 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 144 T 8.99 4.58 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 1.23 0.00 0.00 145 K 8.73 3.80 0.00 1.81 1.88 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.84 1.49 7.81 146 A 7.63 4.05 1.25 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 0.00 147 D 7.31 4.54 0.00 2.80 2.83 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 0.00 148 V 8.03 3.78 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 1.03 0.00 0.00 0.95 0.00 0.00 149 E 8.84 3.82 0.00 2.19 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 2.65 2.47 0.00 150 R 8.04 4.03 0.00 1.83 2.12 0.00 3.22 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 151 L 8.21 4.53 0.00 1.72 1.67 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 152 R 7.45 4.43 0.00 1.76 1.91 0.00 3.11 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 153 K 8.71 4.60 0.00 1.70 1.56 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.61 1.33 7.81 154 G 8.84 2.94 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 *155 E 7.55 4.13 0.00 1.75 1.78 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.