NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.2632 8.3444 119.6905 55.5949 29.9958 177.4788 2 V 3.9147 8.1295 128.1866 61.4202 33.4436 171.5434 3 Q 4.6210 10.0688 129.1487 54.5372 31.5310 174.2748 4 L 5.1044 8.4174 121.9238 52.9548 45.1545 175.2938 5 V 4.6500 8.7489 124.4729 61.2501 33.6187 174.6682 6 E 5.7913 9.6065 128.0254 54.9983 31.7101 175.0166 7 S 4.4756 8.6206 114.2725 58.4939 65.7909 176.0812 8 G 4.0028 8.7039 107.8350 45.8657 0.0000 173.8197 9 G 4.1118 7.2584 106.1953 45.4417 0.0000 172.4821 10 G 4.1669 7.5671 106.4566 46.2472 0.0000 171.7265 11 S 5.3315 8.6316 114.3073 56.6308 64.9286 173.9007 12 V 4.5961 9.0718 119.6690 60.0357 36.3713 175.2359 13 Q 4.8502 8.6337 120.6289 53.3613 30.1373 173.5031 14 A 4.2357 8.0031 122.3512 54.7767 18.7115 178.7467 15 G 3.8994 9.4126 111.1764 44.9776 0.0000 173.7706 16 G 3.9740 7.9048 107.5203 46.0267 0.0000 172.6308 17 S 5.3754 8.2716 114.1655 56.9476 66.8647 173.7672 18 L 4.6140 8.4775 120.7601 53.5362 46.5507 175.3839 19 R 4.5857 8.1293 119.6644 54.8245 32.8788 173.6648 20 L 4.6139 8.4189 127.4887 54.1256 43.4243 176.3646 21 S 5.2776 9.1371 118.3772 57.1208 66.8898 172.7365 22 C 5.4003 9.1291 122.9809 54.9332 46.1381 171.9285 23 S 4.8659 9.0231 120.9858 57.0363 64.3912 173.2170 24 A 5.1692 8.4254 126.2348 50.4893 20.5920 176.8035 25 S 4.4805 8.5539 114.3852 58.7678 64.0628 173.5271 26 G 4.1227 7.3427 106.3177 45.4830 0.0000 172.0386 27 Y 4.3196 8.6431 121.2704 57.6780 39.2759 175.3383 28 T 4.4636 7.1280 115.6662 59.9967 71.6559 172.3344 29 Y 4.3567 8.3390 125.6778 58.8630 39.6331 174.3202 30 I 4.7058 7.6538 117.9578 59.4212 40.2510 174.3799 31 S 5.2514 8.8196 121.6959 56.9760 66.5489 173.3140 32 G 4.5556 9.1525 109.1999 44.9161 0.0000 171.2443 33 W 5.4419 8.9316 119.6105 54.7523 32.6871 175.1062 34 F 5.4031 10.1880 121.8968 55.6846 43.0899 174.0045 35 R 4.8318 9.1423 117.1756 54.7020 33.1488 174.3845 36 Q 4.9712 8.5072 120.6008 55.1433 32.8556 173.6209 37 A 4.7161 8.6874 128.0161 50.1089 20.9746 174.7012 38 P 4.2472 0.0000 0.0000 64.3166 31.6456 177.2368 39 G 3.8871 9.0151 110.3736 45.6855 0.0000 172.4318 40 K 4.6385 7.9458 118.9443 54.0451 35.0945 175.6550 41 G 3.9444 8.2431 108.6935 44.8310 0.0000 173.0804 42 L 4.5512 8.1457 119.5759 54.4188 42.5476 176.6631 43 E 4.8996 9.3826 123.1884 53.9574 32.8854 175.3038 44 W 3.7805 9.1213 134.5949 57.7037 31.2513 174.8665 45 V 3.9203 7.2703 125.5546 63.8204 33.6052 174.8249 46 A 3.9518 6.2316 118.2833 51.2739 22.4480 174.4683 47 A 5.1466 8.6767 119.7922 51.3324 23.5891 175.3238 48 I 5.1438 8.8806 118.8149 59.6274 42.2170 173.7298 49 R 4.5947 9.0792 130.2853 54.8047 30.5858 177.0610 50 S 4.4035 8.8068 122.7742 61.0306 63.1477 176.3763 51 S 4.3204 8.2476 114.8276 60.9804 62.8426 174.6930 52 D 4.7054 8.0543 117.2287 51.7360 40.0117 176.8611 53 G 3.9419 8.5284 108.5683 45.7429 0.0000 173.8911 54 T 4.0595 8.1728 111.5685 61.9137 69.5586 173.5602 55 T 5.1328 8.2415 114.7146 60.2505 71.8166 173.0026 56 Y 4.9312 8.8668 119.7212 56.7691 42.4258 173.9849 57 Y 5.0661 8.8606 119.1442 56.0148 42.3336 174.9994 58 A 4.5903 8.4461 123.7537 51.7127 19.2396 178.4516 59 D 4.3968 9.1708 120.7939 57.5995 41.0977 179.5791 60 S 4.1830 8.1193 111.7652 60.3932 63.1003 174.9961 61 V 3.6916 7.5616 112.3575 60.1201 32.9140 175.4339 62 K 3.6583 7.2701 121.1378 57.8560 32.2361 176.8779 63 G 3.9191 8.6151 114.2941 45.1036 0.0000 173.7807 64 R 4.4806 7.9123 117.7780 56.5201 32.8352 176.0907 65 F 5.7273 7.8698 115.1475 56.0311 42.1797 175.5157 66 T 4.8004 8.8198 117.4452 61.9901 72.0762 172.7367 67 I 5.0497 9.3308 127.7970 59.9387 39.7331 174.5742 68 S 4.9833 8.9370 122.3143 57.6256 67.4762 172.2959 69 Q 4.9387 8.6405 116.1250 55.0201 32.0805 173.3159 70 D 5.0354 9.2103 122.9719 52.3998 42.0742 175.9180 71 N 4.3608 8.9311 124.0413 56.2364 38.4354 176.7913 72 A 4.1138 7.8271 121.0739 54.1700 18.5241 178.7231 73 K 4.3191 8.0759 114.1948 55.0149 33.8526 175.5789 74 N 4.1419 8.0171 118.2282 54.8626 38.0595 173.3408 75 T 5.0054 7.2981 112.3979 61.7585 73.3949 174.4951 76 V 4.6489 8.3230 124.8382 61.3921 34.5784 173.9700 77 Y 5.5420 9.0739 123.1163 56.2365 42.6669 174.5697 78 L 4.3090 8.5366 122.2702 53.2795 44.7961 175.1609 79 Q 4.2587 9.1553 129.9508 55.4396 30.2912 174.6305 80 M 4.0697 8.5503 128.5066 54.0207 32.8885 175.2724 81 N 5.0919 8.8595 121.2279 51.1482 41.5801 174.9046 82 S 3.6983 8.4876 113.6888 59.5263 60.7219 173.3662 83 L 4.4208 7.9658 119.4960 54.9531 42.6192 177.2884 84 K 4.9443 9.4847 121.3239 53.7000 35.4454 175.5745 85 P 4.9038 0.0000 0.0000 65.1371 31.3623 178.3600 86 E 4.1028 8.1286 117.0506 58.5034 29.6267 176.9301 87 D 4.7260 8.4223 117.2743 55.9437 41.3114 176.5836 88 T 4.2936 7.9320 116.8297 64.3217 68.9126 173.5194 89 A 4.3143 8.6203 127.3874 52.1818 23.9870 173.9851 90 M 4.7839 8.0362 118.9801 54.8186 34.0467 174.3883 91 Y 5.1398 9.3878 123.8342 56.5298 40.9939 174.2385 92 Y 5.6451 9.6652 121.3528 56.4527 41.6001 172.4680 93 C 4.7189 9.1170 117.7638 53.9176 43.4091 172.3091 94 A 4.7686 8.3054 120.6441 50.6881 22.8820 174.7724 95 A 5.2582 8.9409 119.9587 50.6181 23.2122 175.3565 96 T 4.7578 8.8084 109.1544 60.1365 71.9593 174.4549 97 E 4.4530 8.7766 120.2601 57.4116 31.9173 177.5597 98 V 3.8805 7.5002 109.9320 60.3194 32.6791 175.5966 99 A 4.4648 8.1842 125.0780 51.5416 19.3604 178.0663 100 G 3.8973 7.8114 106.2760 45.6620 0.0000 171.4709 101 W 4.5395 8.1065 129.9406 56.1788 30.8396 176.0682 102 P 4.1603 0.0000 0.0000 65.1098 30.7640 177.0713 103 L 2.4400 6.2866 115.4229 54.0466 41.8842 175.7721 104 D 4.5160 7.6786 120.8286 52.2173 41.2963 176.5907 105 I 4.0756 8.5486 128.4644 63.9111 38.2143 178.0399 106 G 3.7974 8.4780 108.4415 47.9938 0.0000 174.0245 107 I 3.9949 7.6697 111.2803 61.4443 38.1775 175.3340 108 Y 4.2848 8.0133 120.2008 57.7674 37.5734 174.7301 109 D 4.7676 8.3716 124.8439 54.5197 42.4298 176.4986 110 Y 5.0406 7.7291 116.1580 55.8396 41.3180 174.6680 111 W 5.1917 8.9921 122.3183 54.7282 32.9452 175.4901 112 G 4.3301 9.0674 111.6871 45.4994 0.0000 173.8252 113 Q 4.3276 8.8319 117.1972 57.0474 29.2018 177.5281 114 G 3.5820 9.7707 103.8058 45.9739 0.0000 172.4182 115 T 4.6467 8.0787 113.7705 60.3230 71.5306 172.4670 116 Q 4.5734 8.7298 129.4410 55.6787 30.9645 174.3251 117 V 4.7299 9.0343 126.0941 61.4654 34.5038 174.1011 118 T 4.9527 8.8755 124.5737 61.6536 72.0916 173.1811 119 V 4.9078 8.7777 126.2802 61.1143 34.0292 174.9787 120 S 4.8005 8.8465 123.2446 57.7313 64.6872 175.9583 121 S 3.9621 8.7795 119.6299 62.4987 62.9970 174.9993 *122 H 4.5315 8.0065 119.4296 54.7011 28.4136 174.6041 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 Q 8.34 4.26 0.00 2.15 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.68 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 2 V 8.13 3.91 0.67 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 0.47 0.00 0.00 0.65 0.00 0.00 3 Q 10.07 4.62 0.00 1.93 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.52 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 4 L 8.42 5.10 0.00 1.56 1.46 0.86 0.65 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 5 V 8.75 4.65 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 1.00 0.00 0.00 0.94 0.00 0.00 6 E 9.61 5.79 0.00 1.94 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 2.24 0.00 7 S 8.62 4.48 0.00 3.87 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 G 8.70 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 9 G 7.26 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 G 7.57 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 0.00 0.00 0.00 11 S 8.63 5.33 0.00 3.83 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 12 V 9.07 4.60 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 0.61 0.00 0.00 0.94 0.00 0.00 13 Q 8.63 4.85 0.00 1.74 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.02 0.00 0.00 0.00 0.00 0.00 2.32 1.77 0.00 14 A 8.00 4.24 1.30 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 0.00 0.00 15 G 9.41 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 16 G 7.90 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 0.00 0.00 0.00 0.00 17 S 8.27 5.38 0.00 3.63 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.48 4.61 0.00 1.27 1.27 0.78 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.13 4.59 0.00 1.69 1.65 0.00 3.01 0.00 0.00 3.21 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.51 0.00 20 L 8.42 4.61 0.00 0.73 1.30 0.32 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 21 S 9.14 5.28 0.00 3.85 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 22 C 9.13 5.40 0.00 2.67 2.90 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 23 S 9.02 4.87 0.00 3.91 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 24 A 8.43 5.17 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 25 S 8.55 4.48 0.00 3.86 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 26 G 7.34 4.12 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 0.00 27 Y 8.64 4.32 0.00 2.93 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 T 7.13 4.46 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 1.08 0.00 0.00 29 Y 8.34 4.36 0.00 3.06 3.05 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 30 I 7.65 4.71 1.61 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 0.84 0.12 0.79 0.00 0.00 31 S 8.82 5.25 0.00 3.68 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 9.15 4.56 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 0.00 33 W 8.93 5.44 0.00 3.11 3.16 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 0.00 0.00 0.00 34 F 10.19 5.40 0.00 3.19 3.16 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 0.00 0.00 0.00 35 R 9.14 4.83 0.00 1.19 1.18 0.00 2.74 0.00 0.00 3.10 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.47 0.00 36 Q 8.51 4.97 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.91 0.00 0.00 0.00 0.00 0.00 2.32 2.60 0.00 37 A 8.69 4.72 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 38 P 0.00 4.25 0.00 2.07 2.05 0.00 3.79 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 2.05 2.13 0.00 39 G 9.02 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 40 K 7.95 4.64 0.00 1.85 1.75 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.53 7.81 41 G 8.24 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 0.00 0.00 0.00 42 L 8.15 4.55 0.00 1.52 1.72 0.31 0.65 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 43 E 9.38 4.90 0.00 1.87 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 44 W 9.12 3.78 0.00 3.12 3.04 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 45 V 7.27 3.92 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 1.02 0.00 0.00 0.95 0.00 0.00 46 A 6.23 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.68 5.15 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 48 I 8.88 5.14 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.52 1.00 0.00 0.00 49 R 9.08 4.59 0.00 1.96 1.97 0.00 3.53 0.00 0.00 3.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.96 0.00 50 S 8.81 4.40 0.00 3.89 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 51 S 8.25 4.32 0.00 4.14 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 0.00 52 D 8.05 4.71 0.00 2.81 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 53 G 8.53 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 0.00 0.00 0.00 54 T 8.17 4.06 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 1.33 0.00 0.00 55 T 8.24 5.13 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 1.32 0.00 0.00 56 Y 8.87 4.93 0.00 3.26 3.16 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 0.00 0.00 0.00 57 Y 8.86 5.07 0.00 2.87 2.77 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 0.00 0.00 0.00 58 A 8.45 4.59 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 59 D 9.17 4.40 0.00 2.76 2.77 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 0.00 0.00 0.00 60 S 8.12 4.18 0.00 3.92 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 61 V 7.56 3.69 0.96 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 0.34 0.00 0.00 0.91 0.00 0.00 62 K 7.27 3.66 0.00 2.00 1.67 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.27 7.81 63 G 8.62 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 64 R 7.91 4.48 0.00 1.45 2.10 0.00 3.19 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.41 0.00 65 F 7.87 5.73 0.00 2.78 2.77 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 0.00 0.00 0.00 66 T 8.82 4.80 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 1.31 0.00 0.00 67 I 9.33 5.05 1.95 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.32 0.89 0.00 0.00 68 S 8.94 4.98 0.00 4.04 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 69 Q 8.64 4.94 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 70 D 9.21 5.04 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 71 N 8.93 4.36 0.00 2.81 2.91 0.00 0.00 6.91 7.80 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 72 A 7.83 4.11 1.39 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 73 K 8.08 4.32 0.00 1.92 1.89 0.00 2.04 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.67 7.81 74 N 8.02 4.14 0.00 2.91 2.74 0.00 0.00 6.89 7.31 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 75 T 7.30 5.01 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 0.67 0.00 0.00 76 V 8.32 4.65 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.84 0.00 0.00 77 Y 9.07 5.54 0.00 2.92 2.84 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 78 L 8.54 4.31 0.00 0.27 0.15 0.74 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 9.16 4.26 0.00 2.04 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.55 0.00 0.00 0.00 0.00 0.00 2.22 2.21 0.00 80 M 8.55 4.07 0.00 0.99 1.46 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.94 0.00 81 N 8.86 5.09 0.00 2.76 2.70 0.00 0.00 7.15 6.88 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 82 S 8.49 3.70 0.00 3.99 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 83 L 7.97 4.42 0.00 1.80 1.60 0.82 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 84 K 9.48 4.94 0.00 1.82 1.67 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.54 7.81 85 P 0.00 4.90 0.00 2.19 2.13 0.00 3.89 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 2.12 2.06 0.00 86 E 8.13 4.10 0.00 1.94 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 2.32 2.36 0.00 87 D 8.42 4.73 0.00 2.90 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 88 T 7.93 4.29 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 1.29 0.00 0.00 89 A 8.62 4.31 1.16 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 0.00 0.00 0.00 0.00 0.00 90 M 8.04 4.78 0.00 2.08 1.95 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.25 0.00 91 Y 9.39 5.14 0.00 2.95 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 92 Y 9.67 5.65 0.00 3.17 3.15 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 0.00 0.00 0.00 93 C 9.12 4.72 0.00 1.72 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 94 A 8.31 4.77 -0.32 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 8.94 5.26 1.15 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 0.00 0.00 0.00 0.00 0.00 96 T 8.81 4.76 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 0.26 0.00 0.00 97 E 8.78 4.45 0.00 2.00 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 2.43 2.48 0.00 98 V 7.50 3.88 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 0.66 0.00 0.00 0.90 0.00 0.00 99 A 8.18 4.46 1.19 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 0.00 0.00 0.00 100 G 7.81 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 0.00 101 W 8.11 4.54 0.00 3.22 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 P 0.00 4.16 0.00 0.92 1.72 0.00 3.53 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.92 0.00 103 L 6.29 2.44 0.00 0.27 0.13 0.19 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 104 D 7.68 4.52 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 0.00 105 I 8.55 4.08 2.17 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.15 1.00 0.00 0.00 106 G 8.48 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 0.00 107 I 7.67 3.99 1.78 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 1.59 0.16 0.93 0.00 0.00 108 Y 8.01 4.28 0.00 3.05 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 0.00 109 D 8.37 4.77 0.00 2.13 2.19 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 0.00 110 Y 7.73 5.04 0.00 2.91 2.77 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 0.00 0.00 0.00 111 W 8.99 5.19 0.00 3.08 3.10 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 0.00 0.00 0.00 112 G 9.07 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 0.00 0.00 0.00 0.00 113 Q 8.83 4.33 0.00 2.26 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.45 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 114 G 9.77 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 0.00 0.00 0.00 115 T 8.08 4.65 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 1.34 0.00 0.00 116 Q 8.73 4.57 0.00 2.23 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.62 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 117 V 9.03 4.73 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 0.75 0.00 0.00 0.59 0.00 0.00 118 T 8.88 4.95 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 1.22 0.00 0.00 119 V 8.78 4.91 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 1.03 0.00 0.00 0.96 0.00 0.00 120 S 8.85 4.80 0.00 3.94 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 0.00 121 S 8.78 3.96 0.00 3.89 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 *122 H 8.01 4.53 0.00 2.67 2.88 0.00 5.87 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.