NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3961 8.3049 120.3423 55.4599 32.7639 174.4114 1A I 4.4336 8.1293 126.9283 59.0653 39.8789 173.6923 2 Q 5.0172 9.2539 122.8000 54.3085 33.6762 174.5372 3 R 4.7882 9.0608 121.4286 54.7046 33.8843 175.0973 4 T 4.7460 8.9511 120.2067 61.7049 69.5796 172.8599 5 P 4.8157 0.0000 0.0000 63.1095 32.4112 175.4848 6 K 4.6614 9.1821 122.3820 55.1237 34.0808 175.5186 7 I 5.1495 8.3570 124.5062 59.9214 40.4635 175.3166 8 Q 4.6783 8.8310 123.8006 55.0055 33.3462 173.5764 9 V 4.9555 8.4986 124.7617 61.5834 33.2956 174.1981 10 Y 5.1868 8.4262 124.2168 56.6316 41.5515 172.9697 11 S 4.9425 9.0574 115.2673 57.1007 64.4999 173.9521 12 R 4.0979 9.4003 124.4127 59.3830 30.1036 176.2630 13 H 5.1585 8.1830 112.6031 52.7394 32.1081 171.7444 14 P 4.4112 0.0000 0.0000 62.2640 31.6929 176.5500 15 A 4.1521 8.9186 125.2127 52.9753 18.5757 177.1724 16 E 4.5068 8.3617 123.3933 53.4914 30.4473 172.8454 17 N 4.4839 8.2821 120.0127 53.9615 39.1466 175.8549 18 G 4.0396 9.0094 115.4710 46.1824 0.0000 174.6669 19 K 4.1372 8.5637 122.6861 53.4212 32.1621 180.7808 20 S 4.2714 8.3843 118.9814 58.3421 63.3313 173.3107 21 N 4.7682 8.6745 122.8749 53.1462 42.9436 172.5146 22 F 4.9478 9.5308 115.6329 56.1344 43.7658 173.5247 23 L 3.9211 8.7264 126.9967 53.7767 43.2317 174.9381 24 N 5.3768 8.5019 123.6256 51.3901 42.2066 172.6695 25 C 5.2513 9.7984 123.6671 55.1529 41.9109 171.9262 26 Y 5.3445 9.7755 129.7195 56.4211 40.1543 174.4950 27 V 5.3040 8.6270 120.6887 58.9012 34.5900 175.2540 28 S 5.1310 8.5642 118.1232 57.3111 66.8913 173.7116 29 G 4.6845 8.7486 106.6583 47.6948 0.0000 173.5192 30 F 5.4093 7.6204 113.0785 55.3856 41.4621 173.7202 31 H 5.2073 8.9040 118.2651 54.7796 34.0058 171.8185 32 P 5.2092 0.0000 0.0000 62.0239 33.3272 176.6995 33 S 4.2278 8.4224 111.9902 58.9665 62.8969 173.6053 34 D 4.6094 7.5782 121.9178 54.0610 40.9095 175.4836 35 I 4.8002 8.0297 123.3076 59.5103 41.6441 173.4412 36 E 4.6365 8.8314 126.7658 54.4578 32.2315 175.1588 37 V 4.5903 7.9626 123.5212 61.0236 34.1830 174.1429 38 D 4.9451 8.9941 127.4004 52.3982 44.7324 174.8580 39 L 4.8063 8.3894 121.8942 53.8641 43.7425 175.4749 40 L 5.1399 9.4694 123.7677 52.7714 45.3243 175.5484 41 K 4.1109 9.0076 124.5434 54.2613 33.9830 175.6650 42 N 4.2613 9.8841 129.5548 54.3296 36.2233 176.1268 43 G 3.9851 7.8974 103.5869 45.7621 0.0000 172.3632 44 E 4.4105 7.7526 121.2724 54.3839 30.8651 174.9612 45 R 4.5872 8.3673 122.2541 55.8298 30.1849 176.2892 46 I 3.7716 8.4324 126.2150 61.8802 37.6092 176.3700 47 E 4.3099 8.8069 126.7256 54.7549 31.5914 175.6202 48 K 3.7142 8.3503 116.5544 57.7341 29.5811 175.6941 49 V 4.1391 7.5765 116.5052 62.4869 33.2034 174.4540 50 E 4.7730 8.7116 121.8498 54.8419 33.9194 174.4025 51 H 5.9324 8.2001 115.6204 53.5073 32.0404 172.8507 52 S 4.6578 8.4396 114.4632 57.2245 65.2157 172.9268 53 D 4.5216 8.5030 119.9285 53.4900 41.1072 176.2596 54 L 3.9537 8.4485 125.6344 56.2943 42.3773 175.9735 55 S 4.8251 8.2397 118.8950 57.2403 66.4522 172.2348 56 F 5.4084 7.9041 117.6841 55.0763 41.4146 173.2987 57 S 4.7669 9.0379 113.7331 55.5807 65.5365 174.8533 58 K 3.2750 8.4535 121.0823 59.4476 31.6807 176.2568 59 D 4.5090 7.8719 115.2861 52.6565 39.3971 177.1314 60 W 3.7635 8.5070 118.8730 57.1766 27.7715 174.6031 61 S 4.3508 7.8565 113.8899 58.1030 64.0828 173.8372 62 F 5.0150 8.4076 121.1334 57.1631 40.3674 174.3066 63 Y 5.6556 8.3380 118.2322 55.9884 41.6368 173.8448 64 L 5.2469 9.5584 121.3575 53.0787 46.8740 174.8316 65 L 5.4431 9.0192 123.8532 53.7810 44.4609 174.5429 66 Y 5.3252 9.1750 124.5678 56.6973 40.7004 174.4088 67 Y 5.5934 9.0988 120.4522 57.8846 42.1203 172.9005 68 T 4.7125 8.1066 112.0021 60.8900 70.7980 171.8535 69 E 4.0841 8.8188 128.2419 56.2470 30.7212 175.4147 70 F 4.8165 8.4101 120.0915 56.5194 42.1499 172.9096 71 T 4.4015 8.1316 114.5390 60.5504 70.9193 172.4676 72 P 4.5033 0.0000 0.0000 63.8066 31.0977 175.5794 73 T 5.5547 8.4055 115.3773 61.7313 72.6178 174.6293 74 E 4.1720 8.8542 126.2569 59.0968 30.2157 178.8158 *75 K 4.2211 7.5035 117.2402 56.7420 32.3080 182.1772 76 D 4.2671 8.1502 118.4615 54.9999 41.1053 176.0249 77 E 4.5224 8.6237 123.5893 55.6714 30.5398 174.6928 78 Y 5.1796 8.8281 122.2784 56.7680 41.0954 174.7455 79 A 5.0827 8.9475 122.6067 51.4282 23.8878 173.9230 80 C 5.3573 9.3869 119.0125 54.8464 45.4851 172.5554 81 R 5.0817 9.3879 126.4562 54.5032 32.4048 174.3394 82 V 4.9028 8.8759 126.1904 61.0299 35.0452 173.5794 83 N 5.2573 8.9857 125.2668 52.3323 42.3809 172.3704 84 H 5.0228 8.5136 122.8551 55.1460 32.9632 174.4775 85 V 3.6475 8.3462 122.5952 65.1407 30.9399 177.4870 86 T 4.1536 7.9820 107.2044 62.0157 68.6125 172.9985 87 L 4.8721 8.0702 123.4297 52.8109 43.9051 176.3319 88 S 4.3099 8.9777 119.0766 61.0294 62.8473 174.4126 89 Q 4.5865 7.5739 115.6489 52.8550 31.3298 172.0742 90 P 4.5025 0.0000 0.0000 63.6037 31.8836 175.0583 91 K 4.5772 8.8479 122.9048 54.9841 34.2954 174.8275 92 I 5.0129 8.3592 127.3032 59.5878 39.7552 175.1891 93 V 4.5231 8.5808 119.7994 59.1842 34.7564 175.3458 94 K 4.6997 8.7936 125.2922 55.9659 32.7550 176.7124 95 W 4.5440 9.6536 135.0000 57.4577 31.7838 175.1508 96 D 4.2760 8.3306 125.5971 51.8390 41.9495 176.0513 97 R 3.7132 7.1629 123.9044 58.2252 29.1915 177.0862 98 D 4.5961 8.1814 117.6465 55.4640 41.3615 176.3132 99 M 4.4094 8.4528 124.5978 55.4754 32.9034 174.9784 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.40 0.00 1.96 2.06 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.63 0.00 1A I 8.13 4.43 1.78 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 1.35 0.34 0.91 0.00 0.00 2 Q 9.25 5.02 0.00 1.93 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.68 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 3 R 9.06 4.79 0.00 1.92 2.04 0.00 3.20 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 4 T 8.95 4.75 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 1.26 0.00 0.00 5 P 0.00 4.82 0.00 1.94 1.68 0.00 3.75 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.71 0.00 6 K 9.18 4.66 0.00 1.79 1.84 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.48 7.81 7 I 8.36 5.15 1.92 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 1.33 0.61 0.97 0.00 0.00 8 Q 8.83 4.68 0.00 2.32 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.79 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 9 V 8.50 4.96 2.39 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 0.96 0.00 0.00 1.12 0.00 0.00 10 Y 8.43 5.19 0.00 3.21 3.22 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 11 S 9.06 4.94 0.00 4.12 3.75 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 12 R 9.40 4.10 0.00 1.79 2.24 0.00 3.05 0.00 0.00 3.05 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.41 0.00 13 H 8.18 5.16 0.00 3.35 3.22 0.00 5.76 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 14 P 0.00 4.41 0.00 2.11 2.07 0.00 3.79 0.00 0.00 3.77 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 15 A 8.92 4.15 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.36 4.51 0.00 2.02 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 2.25 2.35 0.00 17 N 8.28 4.48 0.00 2.81 2.76 0.00 0.00 7.00 7.61 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 18 G 9.01 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.56 4.14 0.00 1.67 1.62 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.70 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.39 1.24 7.81 20 S 8.38 4.27 0.00 3.71 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.67 4.77 0.00 2.45 2.36 0.00 0.00 7.14 7.62 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 22 F 9.53 4.95 0.00 2.96 2.88 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 0.00 0.00 0.00 23 L 8.73 3.92 0.00 0.27 0.81 -0.23 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.50 5.38 0.00 1.45 2.11 0.00 0.00 6.02 7.20 0.00 0.00 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 C 9.80 5.25 0.00 2.92 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 26 Y 9.78 5.34 0.00 3.43 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 27 V 8.63 5.30 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 0.49 0.00 0.00 1.03 0.00 0.00 28 S 8.56 5.13 0.00 3.90 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 8.75 4.68 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 0.00 0.00 0.00 30 F 7.62 5.41 0.00 3.00 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 31 H 8.90 5.21 0.00 3.31 3.24 0.00 5.58 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 5.21 0.00 2.21 2.31 0.00 3.80 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.00 0.00 33 S 8.42 4.23 0.00 3.37 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 34 D 7.58 4.61 0.00 2.82 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 35 I 8.03 4.80 1.59 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.60 0.86 0.00 0.00 36 E 8.83 4.64 0.00 1.86 1.71 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 0.00 2.15 2.16 0.00 37 V 7.96 4.59 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 0.42 0.00 0.00 0.46 0.00 0.00 38 D 8.99 4.95 0.00 2.49 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.39 4.81 0.00 1.58 1.53 0.88 0.54 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 40 L 9.47 5.14 0.00 1.52 1.53 0.92 0.65 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 41 K 9.01 4.11 0.00 1.78 1.61 0.00 1.87 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.10 0.70 7.81 42 N 9.88 4.26 0.00 2.67 2.76 0.00 0.00 7.04 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 43 G 7.90 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 44 E 7.75 4.41 0.00 1.99 1.79 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 2.24 2.22 0.00 45 R 8.37 4.59 0.00 1.84 1.93 0.00 3.08 0.00 0.00 3.21 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 46 I 8.43 3.77 1.97 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.58 0.93 0.00 0.00 47 E 8.81 4.31 0.00 1.85 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 0.00 2.28 2.34 0.00 48 K 8.35 3.71 0.00 1.86 1.84 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.39 7.81 49 V 7.58 4.14 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 0.92 0.00 0.00 0.98 0.00 0.00 50 E 8.71 4.77 0.00 1.16 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 2.01 2.03 0.00 51 H 8.20 5.93 0.00 2.16 1.85 0.00 5.32 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.44 4.66 0.00 3.97 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 53 D 8.50 4.52 0.00 2.71 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 54 L 8.45 3.95 0.00 1.60 1.62 0.80 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 55 S 8.24 4.83 0.00 3.59 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 56 F 7.90 5.41 0.00 2.72 2.34 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 57 S 9.04 4.77 0.00 3.97 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 58 K 8.45 3.28 0.00 1.61 1.80 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.20 1.32 7.81 59 D 7.87 4.51 0.00 2.83 2.69 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 0.00 0.00 0.00 0.00 60 W 8.51 3.76 0.00 3.28 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 61 S 7.86 4.35 0.00 3.83 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 62 F 8.41 5.02 0.00 1.57 2.42 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 63 Y 8.34 5.66 0.00 2.98 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 64 L 9.56 5.25 0.00 1.83 1.59 1.18 0.41 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 65 L 9.02 5.44 0.00 2.08 1.64 1.10 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 9.18 5.33 0.00 3.00 2.86 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 67 Y 9.10 5.59 0.00 3.10 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.11 4.71 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 1.07 0.00 0.00 69 E 8.82 4.08 0.00 1.74 1.69 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 0.00 2.04 1.92 0.00 70 F 8.41 4.82 0.00 2.80 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 71 T 8.13 4.40 4.16 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 1.13 0.00 0.00 72 P 0.00 4.50 0.00 2.20 2.44 0.00 3.03 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.64 0.00 73 T 8.41 5.55 4.47 0.00 0.00 0.00 0.00 0.00 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 74 E 8.85 4.17 0.00 1.95 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 2.30 2.31 0.00 *75 K 7.50 4.22 0.00 1.78 1.69 0.00 1.89 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.35 1.27 7.81 76 D 8.15 4.27 0.00 2.82 2.61 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 77 E 8.62 4.52 0.00 1.84 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 2.36 2.28 0.00 78 Y 8.83 5.18 0.00 3.23 2.89 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 79 A 8.95 5.08 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 80 C 9.39 5.36 0.00 2.97 2.92 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 81 R 9.39 5.08 0.00 1.83 1.68 0.00 3.17 0.00 0.00 3.05 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.50 0.00 82 V 8.88 4.90 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 0.77 0.00 0.00 0.80 0.00 0.00 83 N 8.99 5.26 0.00 2.73 2.53 0.00 0.00 6.50 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 H 8.51 5.02 0.00 3.03 3.00 0.00 5.74 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 8.35 3.65 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 0.65 0.00 0.00 0.97 0.00 0.00 86 T 7.98 4.15 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 1.39 0.00 0.00 87 L 8.07 4.87 0.00 1.68 1.77 0.93 0.85 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 88 S 8.98 4.31 0.00 3.97 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 89 Q 7.57 4.59 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.94 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 90 P 0.00 4.50 0.00 2.07 2.09 0.00 3.73 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 91 K 8.85 4.58 0.00 1.89 1.67 0.00 1.47 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.45 7.81 92 I 8.36 5.01 1.88 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 1.34 0.78 0.97 0.00 0.00 93 V 8.58 4.52 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 0.81 0.00 0.00 1.03 0.00 0.00 94 K 8.79 4.70 0.00 1.70 1.83 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.49 7.81 95 W 9.65 4.54 0.00 3.26 3.40 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 96 D 8.33 4.28 0.00 2.57 2.41 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 97 R 7.16 3.71 0.00 1.87 1.02 0.00 3.00 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.47 0.00 98 D 8.18 4.60 0.00 2.87 2.71 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 0.00 0.00 0.00 0.00 99 M 8.45 4.41 0.00 1.94 1.94 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 2.51 2.45 0.00 * Residues marked with a * may have inaccurate shift predictions.