NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 N 4.6907 8.4249 118.1225 53.8380 39.6210 176.8595 5 H 4.3962 8.7087 123.0637 57.2459 28.7914 174.8409 6 G 3.8874 9.0175 109.2890 47.6296 0.0000 174.5137 7 L 4.0211 8.0586 121.4526 57.1749 41.6695 178.7210 8 R 4.4636 8.1792 122.9799 59.0124 29.4888 183.2639 9 R 4.7911 8.5991 120.7365 59.2731 30.2229 181.6233 10 C 4.7227 8.1625 115.0299 59.6772 38.8557 173.9949 11 L 4.6807 7.5962 118.2001 54.0049 42.7974 177.8044 12 I 3.8008 7.7323 120.8863 63.4195 37.8293 177.1126 13 S 4.4282 7.9765 112.2500 59.6893 63.1359 174.0739 14 T 4.3710 8.5130 120.1971 63.0576 69.2676 173.5925 15 D 4.7972 8.4751 125.5300 52.8086 40.8372 175.9175 16 M 4.0390 8.9009 127.5032 59.1541 32.1318 177.3813 17 H 4.2797 8.4535 117.6485 59.3087 30.0961 176.5024 18 H 4.1135 8.4838 120.1079 59.4314 29.6548 177.3747 19 I 3.7172 7.7710 120.9776 64.3780 37.0302 178.0040 20 E 4.1677 8.9060 122.2758 60.1223 29.3205 180.0070 21 E 3.9246 8.5976 118.4439 61.3209 28.4665 180.7541 22 S 4.2911 8.0007 116.5997 61.6991 62.9312 176.9826 23 F 4.5467 8.6032 123.2090 61.4433 38.9052 177.1717 24 Q 3.7776 8.2951 117.1884 58.8759 28.4995 178.3742 25 E 4.0862 8.0738 119.2457 58.2025 29.7833 178.1853 26 I 4.3321 6.7857 110.1012 59.8191 38.5110 176.9803 27 K 3.0397 7.5247 122.8816 59.7763 31.8223 178.3503 28 R 3.8041 7.7050 117.8175 59.3871 29.9222 178.1468 29 A 4.0054 7.7784 118.9078 55.0531 18.6260 179.3235 30 I 3.8967 8.2443 118.6991 64.7557 37.3068 178.7430 31 Q 4.0611 8.7204 118.8679 58.7093 28.2737 178.5132 32 A 4.0514 8.0225 120.9039 54.1279 18.4289 178.6114 33 K 4.5625 7.8538 115.3002 55.1909 32.4825 175.9130 34 D 4.4190 8.0175 120.9790 54.5845 40.6630 176.6402 35 T 3.9877 8.4048 117.0581 63.0020 69.9320 175.1306 36 F 4.7835 8.5843 121.5780 54.8576 39.3523 173.4047 37 P 4.5650 0.0000 0.0000 65.0069 31.7059 178.0594 38 N 4.5999 8.2338 115.0183 54.2649 39.0756 174.2371 39 V 4.6166 7.5983 115.3517 60.7232 34.4608 174.8418 40 T 4.8478 8.1733 116.8282 61.9379 70.9400 174.7135 41 I 3.9283 10.2523 128.5851 64.4206 37.7169 177.4658 42 L 4.2654 9.1373 121.8715 54.1250 41.6861 179.1953 43 S 4.1329 8.2700 115.5710 61.9477 63.2303 176.6495 44 T 3.7413 7.9029 117.1227 66.2460 68.1843 175.2191 45 L 4.1501 8.0071 118.8123 55.3735 41.6773 176.9779 46 E 4.5598 8.1642 117.9577 56.0711 29.8596 174.9820 47 T 4.7738 7.5389 108.6803 59.9971 71.5402 173.5398 48 L 4.8703 8.0792 119.0706 54.7008 42.2701 178.5258 49 Q 4.0495 8.4204 120.6487 57.9892 28.8505 176.5195 50 I 4.5122 7.7510 118.2491 59.5206 37.7352 174.5812 51 I 4.6042 8.0406 116.3823 59.5928 39.9164 176.8885 52 K 4.2126 8.0511 120.8827 55.1862 33.8714 175.4869 53 P 4.1092 0.0000 0.0000 66.0530 31.4228 178.6060 54 L 3.9779 7.8542 118.2393 58.3114 42.0505 178.6507 55 D 4.4233 8.0303 118.5023 57.1783 40.8716 178.6667 56 V 3.8901 8.3545 119.3994 66.1251 31.4902 177.3257 57 C 4.3520 8.4263 118.3646 59.7421 44.6795 174.7033 58 C 4.2227 8.0958 119.6629 59.8453 40.3098 175.8119 59 V 3.5010 8.1991 119.8865 65.9593 30.9798 178.1991 60 T 4.2413 8.4603 116.0350 66.6930 68.5584 176.8042 61 K 4.0367 8.1543 120.6380 60.0405 32.4866 178.9536 62 N 4.4171 8.3392 117.8262 56.0541 38.4678 177.3860 63 L 4.0552 8.4792 120.9231 57.5067 41.6764 179.4271 64 L 3.8353 8.2949 119.1935 57.6251 41.4608 179.3691 65 A 4.0721 7.9223 120.4710 54.7746 18.3213 179.2033 66 F 3.9885 8.4171 119.7398 61.8352 39.3188 177.1514 67 Y 2.8769 7.8081 115.9439 60.5526 37.4559 178.3569 68 V 3.8383 7.9083 118.3449 66.0121 31.8392 177.2629 69 D 4.6248 8.2459 116.6548 55.6436 41.2753 176.7339 70 R 4.3013 7.2840 115.3519 57.1292 32.5202 177.5822 71 V 3.4078 6.7245 117.1671 66.3981 31.4253 178.6389 72 F 4.6699 7.8777 116.0441 60.2364 38.7514 177.4241 73 K 4.2515 7.9941 117.2458 59.0218 32.2088 178.2853 74 D 4.6391 8.0898 118.0635 55.1895 41.1554 176.1215 75 H 4.6275 7.8015 119.7296 55.0201 30.5649 173.7766 76 Q 4.3623 8.4165 127.8517 54.1428 30.2393 173.9425 77 E 4.4640 8.4744 126.3052 53.6069 30.5917 173.5709 78 P 4.2672 0.0000 0.0000 64.7622 32.0369 176.5387 79 N 4.5991 8.6385 119.1495 51.9366 39.4925 173.5594 80 P 4.2052 0.0000 0.0000 65.8845 30.9482 178.3457 81 K 3.9367 8.0979 118.9538 59.3426 32.2296 178.7969 82 I 3.7520 8.0376 120.2699 64.1713 36.9115 178.1816 83 L 3.9884 8.1861 121.6475 57.9239 41.9058 178.9714 84 R 3.8385 8.1642 118.9872 59.2423 29.9785 178.7505 85 K 3.9494 7.7502 117.8081 59.5456 32.1111 179.4988 86 I 3.6658 7.8320 120.0108 64.3210 36.9050 178.7335 87 S 3.9201 8.1778 116.5866 61.3817 62.6203 176.5719 88 S 4.0891 7.9109 115.8719 61.4200 62.1161 176.3321 89 I 3.6104 7.6167 122.3586 64.1028 36.7630 178.3175 90 A 3.4936 7.4776 121.7259 54.7780 18.0529 179.2035 91 N 4.2909 8.4673 116.0432 57.0248 38.9765 177.2234 92 S 4.3678 8.2565 116.5367 61.8439 62.8256 176.8410 93 F 4.4533 8.5156 120.5482 60.5608 38.6987 177.7635 94 L 4.1343 8.4001 118.7932 57.9154 41.3279 179.0133 95 Y 4.1710 8.2010 119.5155 61.0730 38.8158 177.7609 96 M 3.8627 8.5653 119.9821 58.6501 32.0330 178.8619 97 Q 4.0099 8.4430 118.4722 58.5532 28.8740 178.6796 98 K 3.9081 8.0596 120.8385 59.7620 32.2688 178.9809 99 T 3.6697 8.2116 116.4936 66.6383 67.8721 176.5867 100 L 3.9784 7.9669 120.7954 57.9311 41.3631 179.3324 101 R 3.8415 7.9872 117.0687 59.4692 30.1034 178.6156 102 Q 4.0478 7.8713 117.3789 57.4842 29.1377 179.4235 103 C 4.2639 8.9307 120.0917 57.6210 43.7193 177.7839 104 Q 2.9952 5.7400 111.2227 54.8986 29.9023 177.7532 *108 Q 4.4080 8.0582 120.3693 53.8721 29.3389 177.0266 109 C 4.2831 9.4238 111.4698 58.7209 42.0340 171.7607 110 H 4.4635 7.5115 113.1806 55.7815 30.0049 174.1736 111 C 4.5713 8.0189 121.9947 55.3575 41.2335 174.7594 112 R 4.1828 8.0720 124.2104 55.5865 31.7691 177.1654 113 Q 3.9079 8.7159 121.6087 59.7344 28.8587 178.8998 114 E 3.8926 8.1408 119.4642 58.9959 29.7298 178.5539 115 A 3.9821 7.8656 120.4384 55.4488 18.5630 179.5067 116 T 3.7839 8.0251 114.3757 66.9135 68.4791 176.6696 117 N 4.2868 8.4144 118.2516 56.1662 38.0698 177.2767 118 A 3.9393 8.0511 122.1979 55.4664 18.3356 179.9316 119 T 3.5517 7.8524 114.2115 66.8331 68.5935 177.3912 120 R 3.9374 8.0523 119.9984 58.9012 29.9647 179.1530 121 V 3.5475 7.8335 118.4237 66.0566 31.3535 178.1750 122 I 3.6414 7.0599 119.0101 64.7339 36.8117 178.2106 123 H 3.9969 7.7758 116.6051 58.8172 28.2199 177.6906 124 D 4.3615 8.3309 120.4435 57.4035 40.9255 178.2213 125 N 4.4370 8.5194 117.5258 56.2464 38.6302 176.8008 126 Y 4.0406 8.3077 121.3412 60.8503 38.7818 177.5157 127 D 4.6772 8.3571 116.9544 55.7283 40.9961 177.7992 128 Q 4.0199 7.7997 120.7936 57.3178 29.2691 175.6718 129 L 4.4566 6.6496 118.0818 52.4291 43.8969 176.2980 130 E 4.0019 8.4426 120.5151 56.3724 31.2709 178.0120 131 V 3.4172 8.2527 125.4666 65.5404 31.3525 178.4472 132 H 4.2397 8.3001 116.3264 58.3104 28.5306 177.7200 133 A 4.0386 8.1693 122.0178 54.8758 18.2037 179.4085 134 A 3.7145 8.1897 119.7805 54.9701 18.2089 179.8091 135 A 4.0551 8.0451 119.4587 55.4627 18.4858 179.8053 136 I 3.6532 8.0474 117.2913 63.8836 37.7781 178.0733 137 K 4.0398 8.0319 120.1305 59.5256 32.3699 178.7114 138 S 4.4313 8.5416 115.8783 61.4945 62.8566 176.3167 139 L 4.3012 8.4134 123.3854 58.3147 41.6458 179.3369 140 G 3.9942 8.3569 104.4250 47.0816 0.0000 174.4758 141 E 4.6745 8.1636 119.5952 56.4859 29.6809 177.7475 142 L 3.9136 7.6627 121.6213 58.0420 41.4213 179.1879 143 D 4.5031 7.8557 118.5135 56.3759 39.5431 178.7072 144 V 3.6690 8.0465 119.8416 65.6260 31.5083 177.8496 145 F 4.3089 8.2699 119.9612 61.4735 39.4265 176.9860 146 L 3.8315 8.6848 118.7419 57.6401 41.3777 179.3605 147 A 4.0649 8.2898 120.9155 54.9137 18.3856 179.5448 148 W 4.0062 8.0945 126.6206 60.4770 30.6675 178.4370 149 I 3.4200 7.8310 119.9118 64.2928 36.2803 178.0259 150 N 4.2475 8.2146 116.4886 56.4555 38.4669 177.3745 151 K 4.0707 7.8234 118.4882 58.3411 32.1950 178.1794 152 N 4.5445 7.1221 113.7264 52.2131 39.1538 174.1643 153 H 4.8358 7.1165 116.4991 53.8740 33.1461 172.8800 154 E 4.3130 9.7701 123.2168 56.2187 30.0067 176.3356 155 V 4.6544 8.1734 117.2043 59.5868 35.8111 175.1408 156 M 4.4728 8.2885 121.9852 55.0813 34.0133 174.9276 157 S 5.0995 8.3875 118.0822 56.6383 65.3027 173.4547 158 S 4.5689 9.0542 120.8600 57.9047 63.2483 174.0895 159 A 3.6319 7.5811 129.2716 52.9057 17.9982 177.8762 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 4 N 8.42 4.69 0.00 2.73 2.41 0.00 0.00 6.95 7.27 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 5 H 8.71 4.40 0.00 3.23 3.29 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 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 7 L 8.06 4.02 0.00 1.60 1.74 0.93 0.88 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 8 R 8.18 4.46 0.00 1.82 1.90 0.00 3.23 0.00 0.00 3.20 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 9 R 8.60 4.79 0.00 1.69 1.91 0.00 3.24 0.00 0.00 3.17 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.50 0.00 10 C 8.16 4.72 0.00 2.95 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.60 4.68 0.00 1.55 1.53 0.56 0.64 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 12 I 7.73 3.80 1.93 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 0.99 1.05 0.98 0.00 0.00 13 S 7.98 4.43 0.00 4.23 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.51 4.37 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 1.32 0.00 0.00 15 D 8.48 4.80 0.00 2.74 2.63 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 16 M 8.90 4.04 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.83 0.00 17 H 8.45 4.28 0.00 3.27 3.48 0.00 5.73 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 18 H 8.48 4.11 0.00 3.29 3.54 0.00 5.84 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 19 I 7.77 3.72 1.99 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.85 1.06 0.00 0.00 20 E 8.91 4.17 0.00 2.18 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 2.65 0.00 21 E 8.60 3.92 0.00 1.92 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 0.00 2.24 2.22 0.00 22 S 8.00 4.29 0.00 3.96 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 23 F 8.60 4.55 0.00 3.17 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 24 Q 8.30 3.78 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.76 0.00 0.00 0.00 0.00 0.00 2.59 2.57 0.00 25 E 8.07 4.09 0.00 2.15 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 2.31 2.43 0.00 26 I 6.79 4.33 1.84 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.03 0.88 0.00 0.00 27 K 7.52 3.04 0.00 0.86 1.44 0.00 1.62 0.00 0.00 1.46 0.00 0.00 2.95 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.42 1.22 7.81 28 R 7.70 3.80 0.00 1.85 1.84 0.00 3.21 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 29 A 7.78 4.01 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 30 I 8.24 3.90 1.95 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 1.77 1.07 1.06 0.00 0.00 31 Q 8.72 4.06 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.53 2.64 0.00 32 A 8.02 4.05 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 33 K 7.85 4.56 0.00 1.89 1.88 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.43 7.81 34 D 8.02 4.42 0.00 2.81 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 35 T 8.40 3.99 3.68 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 1.11 0.00 0.00 36 F 8.58 4.78 0.00 3.06 2.98 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 37 P 0.00 4.57 0.00 2.20 2.21 0.00 3.33 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.90 0.00 38 N 8.23 4.60 0.00 2.73 2.94 0.00 0.00 6.74 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.60 4.62 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.92 0.00 0.00 40 T 8.17 4.85 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 1.46 0.00 0.00 41 I 10.25 3.93 2.09 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.50 0.98 0.00 0.00 42 L 9.14 4.27 0.00 1.68 1.62 1.17 -0.43 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 43 S 8.27 4.13 0.00 3.96 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 0.00 44 T 7.90 3.74 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 1.14 0.00 0.00 45 L 8.01 4.15 0.00 1.61 1.56 0.72 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.16 4.56 0.00 2.12 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 2.30 2.25 0.00 47 T 7.54 4.77 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 48 L 8.08 4.87 0.00 1.66 1.72 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.42 4.05 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.53 6.85 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 50 I 7.75 4.51 2.24 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 1.50 0.86 1.21 0.00 0.00 51 I 8.04 4.60 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 1.45 0.67 1.03 0.00 0.00 52 K 8.05 4.21 0.00 1.83 1.76 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.53 7.81 53 P 0.00 4.11 0.00 2.08 2.07 0.00 3.57 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 1.99 2.20 0.00 54 L 7.85 3.98 0.00 1.75 1.66 0.99 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 55 D 8.03 4.42 0.00 2.92 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 56 V 8.35 3.89 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 0.67 0.00 0.00 0.90 0.00 0.00 57 C 8.43 4.35 0.00 3.06 3.09 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 0.00 0.00 0.00 58 C 8.10 4.22 0.00 3.21 3.33 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 59 V 8.20 3.50 2.38 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 0.45 0.00 0.00 0.96 0.00 0.00 60 T 8.46 4.24 4.58 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 1.32 0.00 0.00 61 K 8.15 4.04 0.00 2.03 2.11 0.00 1.33 0.00 0.00 1.67 0.00 0.00 3.10 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.74 1.56 7.81 62 N 8.34 4.42 0.00 2.87 2.88 0.00 0.00 6.94 6.36 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 63 L 8.48 4.06 0.00 2.00 1.70 0.74 0.37 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 64 L 8.29 3.84 0.00 1.99 1.72 0.49 1.14 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 65 A 7.92 4.07 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 66 F 8.42 3.99 0.00 2.75 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 67 Y 7.81 2.88 0.00 3.13 2.14 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 68 V 7.91 3.84 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.35 0.00 0.00 69 D 8.25 4.62 0.00 2.72 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 70 R 7.28 4.30 0.00 1.18 1.27 0.00 3.20 0.00 0.00 3.06 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.49 0.00 71 V 6.72 3.41 1.49 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 1.05 0.00 0.00 -0.61 0.00 0.00 72 F 7.88 4.67 0.00 3.04 2.95 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 73 K 7.99 4.25 0.00 1.87 1.89 0.00 2.02 0.00 0.00 1.72 0.00 0.00 3.24 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.58 7.81 74 D 8.09 4.64 0.00 2.78 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 75 H 7.80 4.63 0.00 3.21 3.34 0.00 5.92 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 8.42 4.36 0.00 1.99 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.62 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 77 E 8.47 4.46 0.00 1.92 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.48 0.00 78 P 0.00 4.27 0.00 2.20 2.14 0.00 3.79 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 79 N 8.64 4.60 0.00 2.77 2.89 0.00 0.00 6.77 7.89 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 80 P 0.00 4.21 0.00 2.29 2.28 0.00 3.74 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.01 0.00 81 K 8.10 3.94 0.00 1.87 2.00 0.00 1.59 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.57 7.81 82 I 8.04 3.75 2.02 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 1.40 0.90 1.01 0.00 0.00 83 L 8.19 3.99 0.00 1.73 1.77 0.89 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 84 R 8.16 3.84 0.00 1.99 2.06 0.00 3.13 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 85 K 7.75 3.95 0.00 1.90 1.95 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.64 1.59 7.81 86 I 7.83 3.67 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 1.55 1.09 0.75 0.00 0.00 87 S 8.18 3.92 0.00 3.90 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 88 S 7.91 4.09 0.00 3.88 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 89 I 7.62 3.61 1.71 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 1.38 0.57 0.28 0.00 0.00 90 A 7.48 3.49 0.61 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 91 N 8.47 4.29 0.00 2.73 3.01 0.00 0.00 7.22 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 S 8.26 4.37 0.00 4.31 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 93 F 8.52 4.45 0.00 3.43 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 94 L 8.40 4.13 0.00 2.04 1.84 0.98 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 95 Y 8.20 4.17 0.00 3.14 3.28 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 96 M 8.57 3.86 0.00 2.04 2.27 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.95 2.62 0.00 97 Q 8.44 4.01 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.64 0.00 98 K 8.06 3.91 0.00 1.83 1.78 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.39 1.48 7.81 99 T 8.21 3.67 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 1.12 0.00 0.00 100 L 7.97 3.98 0.00 1.83 1.71 0.95 0.82 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 0.00 101 R 7.99 3.84 0.00 1.96 1.96 0.00 3.20 0.00 0.00 3.23 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 102 Q 7.87 4.05 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.01 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 103 C 8.93 4.26 0.00 3.19 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 0.00 104 Q 5.74 3.00 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.32 0.00 0.00 0.00 0.00 0.00 2.27 2.19 0.00 *108 Q 8.06 4.41 0.00 2.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.39 0.00 0.00 0.00 0.00 0.00 2.26 1.93 0.00 109 C 9.42 4.28 0.00 3.10 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 0.00 0.00 0.00 0.00 0.00 0.00 110 H 7.51 4.46 0.00 3.17 3.21 0.00 5.99 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 C 8.02 4.57 0.00 2.89 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 0.00 112 R 8.07 4.18 0.00 1.83 1.83 0.00 3.16 0.00 0.00 3.27 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 113 Q 8.72 3.91 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 114 E 8.14 3.89 0.00 2.11 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 2.38 2.43 0.00 115 A 7.87 3.98 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 0.00 116 T 8.03 3.78 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 1.17 0.00 0.00 117 N 8.41 4.29 0.00 2.83 2.83 0.00 0.00 6.91 6.69 0.00 0.00 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 A 8.05 3.94 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 0.00 119 T 7.85 3.55 4.37 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 1.15 0.00 0.00 120 R 8.05 3.94 0.00 1.93 1.93 0.00 3.10 0.00 0.00 3.05 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.78 0.00 121 V 7.83 3.55 2.17 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 0.95 0.00 0.00 0.96 0.00 0.00 122 I 7.06 3.64 1.58 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.32 -0.16 0.00 0.00 123 H 7.78 4.00 0.00 3.19 3.30 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 D 8.33 4.36 0.00 2.79 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 0.00 125 N 8.52 4.44 0.00 2.76 2.82 0.00 0.00 6.65 7.34 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 0.00 126 Y 8.31 4.04 0.00 3.06 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 D 8.36 4.68 0.00 2.76 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 0.00 128 Q 7.80 4.02 0.00 2.21 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.74 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 129 L 6.65 4.46 0.00 1.50 1.47 0.23 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 130 E 8.44 4.00 0.00 2.01 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 2.37 2.34 0.00 131 V 8.25 3.42 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 0.49 0.00 0.00 0.93 0.00 0.00 132 H 8.30 4.24 0.00 3.45 3.41 0.00 5.63 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 A 8.17 4.04 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 0.00 134 A 8.19 3.71 0.34 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 0.00 135 A 8.05 4.06 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 136 I 8.05 3.65 1.96 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 1.46 1.58 1.04 0.00 0.00 137 K 8.03 4.04 0.00 1.95 2.08 0.00 2.13 0.00 0.00 1.78 0.00 0.00 3.11 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.54 1.57 7.81 138 S 8.54 4.43 0.00 4.11 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 L 8.41 4.30 0.00 2.16 1.86 1.18 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 140 G 8.36 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 0.00 0.00 0.00 141 E 8.16 4.67 0.00 2.34 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 0.00 2.39 2.62 0.00 142 L 7.66 3.91 0.00 0.27 0.92 0.69 0.29 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 0.00 143 D 7.86 4.50 0.00 3.05 3.24 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 0.00 144 V 8.05 3.67 2.35 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 1.07 0.00 0.00 1.02 0.00 0.00 145 F 8.27 4.31 0.00 3.23 3.26 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 0.00 146 L 8.68 3.83 0.00 1.72 1.73 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 147 A 8.29 4.06 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 W 8.09 4.01 0.00 3.55 3.31 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 0.00 149 I 7.83 3.42 1.73 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 0.65 0.88 0.73 0.00 0.00 150 N 8.21 4.25 0.00 2.85 2.85 0.00 0.00 7.13 7.63 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 0.00 151 K 7.82 4.07 0.00 1.50 1.74 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.68 7.81 152 N 7.12 4.54 0.00 1.75 2.18 0.00 0.00 6.77 8.03 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 0.00 153 H 7.12 4.84 0.00 3.04 3.04 0.00 5.65 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 E 9.77 4.31 0.00 1.74 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 2.42 2.42 0.00 155 V 8.17 4.65 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 0.64 0.00 0.00 0.98 0.00 0.00 156 M 8.29 4.47 0.00 2.35 2.06 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.50 0.00 157 S 8.39 5.10 0.00 3.88 3.67 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 0.00 158 S 9.05 4.57 0.00 4.05 4.02 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 0.00 159 A 7.58 3.63 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 * Residues marked with a * may have inaccurate shift predictions.