NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.2995 8.2644 123.5819 51.9688 20.2440 176.7124 1 M 4.0454 8.0465 119.0871 55.7093 33.1217 173.9109 2 R 4.2747 8.4223 126.0660 56.6452 32.3357 174.6355 3 Q 5.2258 8.5960 123.2813 54.8721 31.8112 174.2726 4 R 4.7862 8.9668 120.1087 54.9457 35.4803 173.8319 5 T 4.9899 8.4501 117.6087 62.1497 70.9639 173.4976 6 I 5.0415 9.0751 127.4820 59.6184 40.3997 174.8445 7 V 5.0683 8.9012 120.3804 60.0824 34.0151 174.7672 8 C 5.4235 9.4725 122.6348 57.4380 32.0649 171.0819 9 P 5.2878 0.0000 0.0000 61.4158 32.9529 174.8881 10 L 4.5294 9.1728 126.7635 53.9400 43.1718 174.6442 11 I 4.8507 8.2134 127.8756 59.8248 39.2396 174.6654 12 Q 4.8664 8.9672 127.9677 54.2477 32.3642 173.7436 13 N 4.8385 9.0590 123.9136 52.6271 42.5352 174.0557 14 D 4.2869 9.8188 126.7580 55.3572 38.6418 174.8061 15 G 3.9078 8.2734 105.6599 45.3668 0.0000 173.4371 16 C 5.0489 7.8007 117.5482 58.3332 31.2121 172.2998 17 Y 5.0543 9.0351 119.5448 56.1373 40.4445 174.6889 18 L 4.1043 8.4541 126.0742 54.3695 42.8302 175.8910 19 L 4.9400 8.7345 126.0760 53.0610 45.4416 175.0942 20 C 4.9273 8.9641 119.7354 57.6731 31.5708 172.9067 21 K 3.9076 8.2389 125.5234 54.9020 32.7199 175.8515 22 M 4.8380 8.6498 128.1269 55.2649 32.5857 176.5017 23 A 4.1050 8.2863 124.4967 51.6142 19.5027 177.0608 24 D 4.0524 7.8203 120.8612 55.0624 41.0513 177.7556 *31 G 3.6184 8.3382 112.8454 45.6217 0.0000 171.3826 32 Q 4.6206 7.8242 125.2101 54.3540 32.1007 174.0859 33 W 4.8915 9.2799 120.4075 56.4276 30.9176 175.8847 34 A 4.9864 9.0159 124.3649 50.8669 22.8399 175.3661 35 L 4.5488 8.1981 119.2035 54.4975 42.7744 177.8767 36 S 4.6833 8.4164 116.5392 57.7305 65.0142 172.5780 37 G 4.3848 8.4367 106.2433 43.9734 0.0000 171.7463 38 G 4.2130 7.6014 106.7275 46.2482 0.0000 172.9443 39 G 4.2909 8.7053 106.9919 45.6959 0.0000 173.6980 40 V 4.1712 8.2118 122.7014 61.9989 32.3870 175.7389 41 E 4.5971 9.1134 127.2914 53.8816 31.2932 173.8112 42 P 4.3978 0.0000 0.0000 64.4045 31.6685 177.4355 43 G 3.9676 8.9369 110.2293 45.4297 0.0000 172.9236 44 E 4.6913 7.6797 119.1329 54.9247 31.2002 176.9355 45 R 4.3116 8.5463 121.4945 55.4487 32.4854 177.9611 46 I 3.7527 8.2749 115.1300 64.5185 37.5078 178.1184 47 E 3.7472 8.2170 120.5517 58.5447 29.4539 178.4361 48 E 3.9008 8.1604 118.2918 59.2491 29.5270 178.8848 49 A 3.9590 8.1595 120.8889 54.9354 18.4084 179.4014 50 L 3.7762 7.7555 118.7589 58.4613 42.1441 179.4904 51 R 3.8595 8.0291 118.0735 59.0170 29.8947 179.0477 52 R 3.8512 8.1435 118.6086 59.5700 30.0080 178.3701 53 E 3.9603 8.3621 118.5186 59.4348 29.3802 179.5127 54 I 3.7062 7.9000 119.7226 64.5501 37.2808 178.6929 55 R 4.2614 7.9774 120.1557 58.7175 29.6330 179.0788 56 E 3.9412 8.1407 117.3941 59.5017 29.8523 178.7850 57 E 4.4537 8.4680 118.2652 57.9257 29.9433 177.8910 58 L 4.6767 8.7408 116.9228 53.2108 43.0401 177.0593 59 G 4.1452 7.9749 104.9449 45.2630 0.0000 173.6900 60 E 4.4379 8.2866 115.8142 56.6226 29.9032 177.5014 61 Q 4.2196 7.8226 117.4753 57.1449 29.5016 176.1350 62 L 4.2828 7.7843 119.8596 54.9176 42.8016 175.6566 63 I 4.5562 8.5668 125.6486 59.5309 40.1037 174.4013 64 L 4.9385 8.6242 127.5531 53.9256 42.2350 176.8472 65 S 4.5782 9.1345 118.2455 59.8002 64.6140 174.0503 66 D 4.7872 7.7615 118.6949 52.9214 44.6997 174.0061 67 I 5.1041 8.3979 125.0867 59.9844 40.5517 174.8781 68 T 4.8232 9.2068 123.3583 60.9421 72.5322 171.8547 69 P 3.6795 0.0000 0.0000 63.2668 31.4187 174.3769 70 W 4.7833 9.0571 133.1988 58.1284 31.7848 176.7675 71 T 4.5011 6.9744 111.4107 60.8683 71.1823 171.6397 72 F 5.8691 7.7325 116.7890 54.6365 41.4601 173.4748 73 R 4.6324 8.4353 114.5744 55.7004 32.5602 173.0796 74 D 5.0160 8.4075 119.2037 52.1662 42.0977 174.6344 75 D 4.6472 8.0755 116.9353 53.0863 45.1761 173.4568 76 I 5.0669 8.2540 122.4362 59.3508 40.8401 174.5781 77 R 4.8063 9.0470 126.8899 54.4592 34.7016 174.3070 78 I 4.8146 8.3718 121.9765 59.7121 39.1105 174.8439 79 K 4.5144 9.2499 129.7493 54.7852 34.4428 175.2214 80 T 4.5729 8.0758 116.5602 60.4821 69.8522 173.0032 81 Y 3.7787 9.2530 127.4179 59.7859 38.3815 176.0041 *84 G 4.0274 7.6728 121.3555 45.9500 0.0000 171.5277 85 R 4.6454 8.2290 125.6788 54.0753 32.8965 174.1080 86 Q 5.2942 8.3840 119.2895 54.4320 30.5674 175.1112 87 E 4.8142 9.4299 123.7774 54.5757 33.6729 174.0753 88 E 4.7306 8.8799 125.5896 56.3467 30.7839 175.9303 89 I 4.7708 9.0568 123.6197 59.4205 41.6938 173.0867 90 Y 5.1216 9.1560 131.1026 56.5287 40.4116 174.0790 91 M 5.0908 8.3923 125.9656 53.3975 36.3309 174.5356 92 I 4.4468 8.0668 122.4963 59.7792 39.9466 174.1550 93 Y 5.2511 8.8362 125.9816 56.8511 39.7489 174.6426 94 L 4.6558 9.4123 125.3720 53.2972 43.9592 175.4017 95 I 5.0349 8.5948 126.1197 59.7126 39.3705 174.9396 96 F 5.2957 9.5419 126.2980 55.7839 41.8390 174.6041 97 D 5.0336 9.3114 123.7507 54.2203 42.1157 175.2857 98 C 5.3640 9.3188 120.8853 57.8949 32.5358 173.0319 99 V 4.8929 8.7771 122.8813 61.1431 33.5297 174.4435 100 S 5.1664 8.8058 122.6762 56.9585 64.3485 174.3215 101 A 4.3235 9.4737 125.1541 53.9638 19.0848 176.5072 102 N 4.8329 7.7676 110.4543 52.0054 40.4181 174.2770 103 R 4.2953 8.1204 114.5828 56.0424 30.7252 176.4565 104 D 4.6388 8.2864 119.2050 54.1263 39.4614 174.9007 105 I 4.5638 8.0450 124.0272 59.4419 39.5828 175.2582 106 C 4.8160 8.9482 124.0609 57.8684 30.5097 173.9430 107 I 4.8115 8.7383 117.5795 60.0037 38.9827 175.1907 108 N 5.2450 8.3517 121.2260 51.2519 40.2334 174.5031 109 D 4.4842 8.7199 116.8745 55.6697 39.9997 176.7553 110 E 3.8718 8.0609 121.2367 58.0769 30.6227 176.0112 111 F 5.5014 7.7341 116.7216 55.8625 41.6401 175.1158 112 Q 4.3105 9.1399 123.3774 57.8520 30.1340 174.3134 113 D 4.6548 7.7259 116.7523 54.2419 44.7103 173.3738 114 Y 5.4975 8.1431 117.6000 56.2820 41.0277 173.7490 115 A 4.6718 9.1322 120.5105 50.6159 23.2758 175.3546 116 W 5.0006 8.8600 121.0704 55.3406 30.5740 175.8786 117 V 4.4739 8.7685 125.7210 60.6498 33.8342 175.4448 118 K 4.5525 8.6748 126.6516 55.5803 33.1414 176.1735 119 P 4.2381 0.0000 0.0000 65.7295 31.0452 178.5751 120 E 4.1854 8.2037 114.1348 58.0979 29.9666 177.5599 121 E 4.5516 8.2546 119.0369 56.2561 30.4224 177.3884 122 L 3.9463 7.8002 119.8353 57.8925 41.4896 179.0478 123 A 4.1597 7.9084 118.6481 54.4040 18.4579 178.9126 124 L 4.0196 7.8007 116.5627 56.0617 42.0589 176.9230 125 Y 3.9576 7.2599 116.4407 56.9092 39.0866 175.7112 126 D 4.7044 8.3528 123.0224 53.3073 39.9147 175.1663 127 L 5.0159 7.8511 122.7178 53.2336 43.3122 176.6376 128 N 4.9354 8.6830 118.9113 51.4205 38.7516 176.4056 129 V 3.5837 8.6225 117.4964 66.4500 31.4244 177.8182 130 A 4.0925 8.0373 119.6673 55.5149 18.1500 179.6257 131 T 3.8993 8.1951 114.3081 66.6809 68.4577 177.2703 132 R 3.9198 8.2020 120.1313 59.4935 30.0973 178.5137 133 H 4.1493 8.4076 117.9267 59.6134 29.7401 177.4364 134 T 3.9656 8.0372 117.3869 66.8086 68.3482 176.7564 135 L 3.9217 8.2034 120.7715 57.6130 41.5753 179.4420 136 A 3.9889 8.3074 121.1189 55.0583 18.1155 179.4361 137 L 4.0560 7.8216 117.7073 57.4618 42.2675 178.1924 138 K 4.1825 7.7767 117.7122 56.2517 32.2465 177.0588 139 G 3.8588 7.7136 106.2621 46.7944 0.0000 174.3468 140 L 4.2597 7.6846 119.6696 54.3491 42.5870 176.6535 141 L 4.2402 7.6983 124.6233 54.9322 42.1786 175.6009 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 0 A 8.26 4.30 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 1 M 8.05 4.05 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.65 0.00 2 R 8.42 4.27 0.00 2.01 1.87 0.00 3.33 0.00 0.00 3.51 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.70 0.00 3 Q 8.60 5.23 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.57 0.00 0.00 0.00 0.00 0.00 2.27 2.44 0.00 4 R 8.97 4.79 0.00 1.71 1.81 0.00 3.29 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.77 0.00 5 T 8.45 4.99 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 6 I 9.08 5.04 2.18 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.17 1.02 0.00 0.00 7 V 8.90 5.07 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 1.08 0.00 0.00 1.03 0.00 0.00 8 C 9.47 5.42 0.00 2.87 2.81 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 9 P 0.00 5.29 0.00 2.10 2.05 0.00 3.90 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 10 L 9.17 4.53 0.00 1.88 1.84 0.95 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.21 4.85 1.82 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 1.27 0.50 1.10 0.00 0.00 12 Q 8.97 4.87 0.00 1.77 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 1.92 1.32 0.00 13 N 9.06 4.84 0.00 2.32 1.81 0.00 0.00 7.26 8.24 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 14 D 9.82 4.29 0.00 2.63 2.58 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 15 G 8.27 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 C 7.80 5.05 0.00 3.08 3.11 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 17 Y 9.04 5.05 0.00 2.82 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 18 L 8.45 4.10 0.00 0.27 1.12 -0.02 0.49 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 19 L 8.73 4.94 0.00 1.42 1.63 0.17 0.48 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 C 8.96 4.93 0.00 1.86 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 21 K 8.24 3.91 0.00 0.79 0.89 0.00 0.96 0.00 0.00 1.28 0.00 0.00 2.72 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.88 0.29 7.81 22 M 8.65 4.84 0.00 1.93 1.97 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.67 0.00 23 A 8.29 4.10 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 24 D 7.82 4.05 0.00 2.68 2.67 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 0.00 *31 G 8.34 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 7.82 4.62 0.00 2.06 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.96 0.00 0.00 0.00 0.00 0.00 2.79 2.42 0.00 33 W 9.28 4.89 0.00 3.36 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 A 9.02 4.99 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 35 L 8.20 4.55 0.00 1.57 1.61 0.96 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.42 4.68 0.00 4.32 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 37 G 8.44 4.38 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 0.00 38 G 7.60 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 0.00 0.00 0.00 0.00 39 G 8.71 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 40 V 8.21 4.17 2.11 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 0.80 0.00 0.00 1.02 0.00 0.00 41 E 9.11 4.60 0.00 2.16 1.84 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 2.27 2.41 0.00 42 P 0.00 4.40 0.00 2.04 2.00 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 43 G 8.94 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 44 E 7.68 4.69 0.00 2.13 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 2.28 2.27 0.00 45 R 8.55 4.31 0.00 1.87 1.87 0.00 3.15 0.00 0.00 3.40 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.80 0.00 46 I 8.27 3.75 2.11 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.98 0.98 0.00 0.00 47 E 8.22 3.75 0.00 2.10 1.98 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 2.25 2.14 0.00 48 E 8.16 3.90 0.00 2.21 1.97 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 2.39 2.38 0.00 49 A 8.16 3.96 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.76 3.78 0.00 1.48 1.50 0.82 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 51 R 8.03 3.86 0.00 1.84 1.93 0.00 3.15 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 52 R 8.14 3.85 0.00 1.86 2.08 0.00 3.23 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 53 E 8.36 3.96 0.00 2.15 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 2.46 2.51 0.00 54 I 7.90 3.71 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 1.51 0.73 0.90 0.00 0.00 55 R 7.98 4.26 0.00 1.97 2.11 0.00 3.13 0.00 0.00 3.25 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 56 E 8.14 3.94 0.00 2.07 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 2.33 2.50 0.00 57 E 8.47 4.45 0.00 2.20 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.48 0.00 58 L 8.74 4.68 0.00 1.73 1.57 0.84 0.65 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 59 G 7.97 4.15 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 0.00 60 E 8.29 4.44 0.00 1.97 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 2.26 2.26 0.00 61 Q 7.82 4.22 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.93 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 62 L 7.78 4.28 0.00 1.74 1.58 1.19 0.98 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 63 I 8.57 4.56 1.86 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 0.90 0.00 0.00 64 L 8.62 4.94 0.00 1.52 1.60 0.91 0.96 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 65 S 9.13 4.58 0.00 3.81 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 66 D 7.76 4.79 0.00 2.79 2.50 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 67 I 8.40 5.10 1.91 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 1.34 0.79 0.92 0.00 0.00 68 T 9.21 4.82 4.35 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 1.30 0.00 0.00 69 P 0.00 3.68 0.00 1.90 1.76 0.00 3.73 0.00 0.00 3.78 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 70 W 9.06 4.78 0.00 3.41 3.29 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 71 T 6.97 4.50 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 -0.30 0.00 0.00 72 F 7.73 5.87 0.00 3.07 2.87 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 73 R 8.44 4.63 0.00 1.81 1.90 0.00 3.00 0.00 0.00 3.47 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.67 0.00 74 D 8.41 5.02 0.00 2.39 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 75 D 8.08 4.65 0.00 2.23 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 0.00 0.00 0.00 0.00 76 I 8.25 5.07 1.99 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.99 0.94 0.00 0.00 77 R 9.05 4.81 0.00 1.73 1.75 0.00 3.33 0.00 0.00 3.39 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.77 0.00 78 I 8.37 4.81 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.60 0.92 0.00 0.00 79 K 9.25 4.51 0.00 1.61 1.52 0.00 1.24 0.00 0.00 0.61 0.00 0.00 2.59 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.54 1.02 7.81 80 T 8.08 4.57 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 1.21 0.00 0.00 81 Y 9.25 3.78 0.00 3.03 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 *84 G 7.67 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 0.00 0.00 0.00 85 R 8.23 4.65 0.00 1.90 1.82 0.00 3.25 0.00 0.00 3.36 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 86 Q 8.38 5.29 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.47 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 87 E 9.43 4.81 0.00 2.14 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 2.31 2.37 0.00 88 E 8.88 4.73 0.00 1.93 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 2.33 2.33 0.00 89 I 9.06 4.77 1.90 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 1.13 1.70 0.97 0.00 0.00 90 Y 9.16 5.12 0.00 3.04 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 91 M 8.39 5.09 0.00 1.75 1.52 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 92 I 8.07 4.45 1.77 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 1.05 0.33 0.86 0.00 0.00 93 Y 8.84 5.25 0.00 2.87 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 94 L 9.41 4.66 0.00 1.67 1.53 0.97 0.54 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 95 I 8.59 5.03 2.03 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 1.30 0.78 1.29 0.00 0.00 96 F 9.54 5.30 0.00 2.94 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 97 D 9.31 5.03 0.00 2.68 2.62 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 98 C 9.32 5.36 0.00 2.87 2.81 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 99 V 8.78 4.89 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 0.90 0.00 0.00 0.92 0.00 0.00 100 S 8.81 5.17 0.00 4.09 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 0.00 101 A 9.47 4.32 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 0.00 102 N 7.77 4.83 0.00 2.69 2.72 0.00 0.00 5.83 7.66 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 0.00 103 R 8.12 4.30 0.00 1.45 1.44 0.00 2.68 0.00 0.00 2.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.92 0.00 104 D 8.29 4.64 0.00 2.68 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 0.00 105 I 8.04 4.56 0.93 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.44 -0.01 0.00 0.00 106 C 8.95 4.82 0.00 2.74 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 0.00 107 I 8.74 4.81 2.06 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 1.26 1.78 0.98 0.00 0.00 108 N 8.35 5.24 0.00 2.73 3.13 0.00 0.00 5.78 8.07 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 0.00 109 D 8.72 4.48 0.00 2.76 2.81 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 0.00 110 E 8.06 3.87 0.00 1.68 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.98 0.00 111 F 7.73 5.50 0.00 2.93 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 0.00 112 Q 9.14 4.31 0.00 1.96 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.74 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 113 D 7.73 4.65 0.00 2.69 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 0.00 0.00 0.00 114 Y 8.14 5.50 0.00 2.87 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 0.00 115 A 9.13 4.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 W 8.86 5.00 0.00 3.20 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 0.00 117 V 8.77 4.47 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 0.88 0.00 0.00 0.37 0.00 0.00 118 K 8.67 4.55 0.00 1.86 1.95 0.00 1.78 0.00 0.00 1.86 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.57 1.43 7.81 119 P 0.00 4.24 0.00 2.17 2.06 0.00 3.67 0.00 0.00 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.41 0.00 120 E 8.20 4.19 0.00 2.12 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 2.29 2.35 0.00 121 E 8.25 4.55 0.00 2.05 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 0.00 2.25 2.34 0.00 122 L 7.80 3.95 0.00 1.65 1.66 0.74 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 123 A 7.91 4.16 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 0.00 124 L 7.80 4.02 0.00 1.70 1.51 0.87 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 7.26 3.96 0.00 3.02 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 0.00 126 D 8.35 4.70 0.00 2.85 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 0.00 127 L 7.85 5.02 0.00 1.75 1.65 0.97 1.17 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 0.00 128 N 8.68 4.94 0.00 2.99 3.07 0.00 0.00 6.49 7.21 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 0.00 129 V 8.62 3.58 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 1.07 0.00 0.00 0.96 0.00 0.00 130 A 8.04 4.09 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 0.00 131 T 8.20 3.90 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 1.22 0.00 0.00 132 R 8.20 3.92 0.00 2.05 2.01 0.00 3.17 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 1.68 1.85 0.00 133 H 8.41 4.15 0.00 3.34 3.48 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 T 8.04 3.97 4.43 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 1.46 0.00 0.00 135 L 8.20 3.92 0.00 1.64 1.59 0.83 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.31 3.99 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 0.00 137 L 7.82 4.06 0.00 1.73 2.08 0.89 0.39 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 0.00 138 K 7.78 4.18 0.00 1.61 1.72 0.00 0.91 0.00 0.00 0.61 0.00 0.00 2.47 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.91 1.11 7.81 139 G 7.71 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 0.00 0.00 0.00 140 L 7.68 4.26 0.00 1.52 1.42 -0.07 0.56 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 0.00 141 L 7.70 4.24 0.00 1.49 1.46 0.90 0.88 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 * Residues marked with a * may have inaccurate shift predictions.