NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3009 0.0000 0.0000 62.1127 32.4778 176.9397 3 K 3.8613 8.5671 120.6371 55.2782 30.3673 174.2014 4 K 4.1284 7.9210 124.6860 54.4253 35.2390 174.2481 5 V 4.9277 8.1146 124.4028 61.4438 34.6692 174.1835 6 L 4.8935 8.7410 126.9632 53.6702 45.7371 175.2027 7 T 4.8297 7.5948 114.1556 64.0467 72.3743 173.9896 8 G 4.5538 8.1961 112.0101 46.8229 0.0000 171.8857 9 V 4.6441 8.3138 120.3118 61.7886 33.9919 175.6964 10 V 4.6623 8.1101 121.7770 61.8233 33.0821 176.6140 11 V 4.6437 8.0254 116.0788 60.8621 35.4004 175.0913 12 S 4.6056 7.8530 111.1354 58.3047 64.3431 175.9060 13 D 4.8128 8.9687 126.6529 53.3916 40.6306 177.9780 14 K 4.3131 7.7690 120.5886 54.8286 29.6528 174.4327 15 M 4.2657 7.1546 118.9623 55.3261 35.6833 173.1983 16 Q 4.4150 8.1950 119.8657 55.8055 30.3837 175.9388 17 K 4.5865 8.7905 118.5181 56.2901 30.2071 173.8332 18 T 5.3270 7.6041 113.0155 62.4856 72.9299 173.5611 19 V 4.7282 8.7503 114.7846 60.6959 36.7231 174.0611 20 T 4.7014 8.5199 120.5971 63.1999 70.5827 174.7233 21 V 5.0928 8.5008 124.3918 60.7156 34.3360 173.7087 22 L 4.4025 8.3746 130.8425 54.9752 43.3054 175.7579 23 V 4.4943 9.0646 125.3236 61.3948 34.3805 174.6105 24 E 4.6099 9.0877 127.3967 55.5060 31.3148 175.5813 25 R 4.6483 7.6871 115.8905 57.2048 32.5375 172.7657 26 Q 5.1908 8.1524 115.7501 56.7975 31.1278 172.2520 27 F 4.6333 7.1428 113.1007 56.5063 40.7461 170.2970 28 P 5.3890 0.0000 0.0000 61.4240 32.5265 175.8541 29 H 4.3538 8.8074 124.2041 56.1424 30.1877 174.3149 30 P 4.2329 0.0000 0.0000 64.9812 31.1520 176.6781 31 L 4.5189 8.1928 117.8477 55.1081 44.1989 176.0400 32 Y 4.8158 7.9411 113.4136 56.9401 38.7730 175.4476 33 G 4.1094 8.4862 106.0430 45.8517 0.0000 173.5675 34 K 4.0111 8.2003 121.4790 56.5230 33.5323 176.0309 35 V 4.1863 8.4151 125.9959 63.0778 32.1024 175.0654 36 I 4.5535 8.7761 121.9949 58.9864 40.4652 174.8455 37 K 4.9920 8.0052 122.9776 53.9677 35.0405 174.7745 38 R 4.2259 7.9512 120.2715 56.9853 32.6086 171.7974 39 S 4.8093 8.2641 112.9134 58.1957 65.6190 173.2260 40 K 4.5863 8.5045 118.8611 55.4698 35.7824 174.7176 41 K 5.0710 8.2867 122.6608 54.8098 34.9082 175.2576 42 Y 4.4553 9.0272 120.4581 56.1258 41.9771 175.1906 43 L 4.9175 8.4626 122.7966 53.7548 41.9263 175.8735 44 A 4.9966 9.4083 127.3760 50.5625 20.9741 175.8909 45 H 4.8822 8.7927 121.2819 55.3751 30.9988 173.6424 46 D 4.8828 8.5231 127.5999 51.8232 42.2343 174.2508 47 P 4.8228 0.0000 0.0000 62.9926 31.9535 176.9800 48 E 4.5313 8.9736 118.9962 61.5680 31.1489 177.8744 49 E 4.5420 7.0593 115.8499 60.1532 25.7613 177.1283 50 K 4.3404 8.0238 113.3512 56.3273 33.5640 176.2973 51 Y 4.5202 7.8481 116.6504 56.5420 40.0752 175.6099 52 K 4.4183 8.6028 125.2174 54.9920 34.2630 176.0599 53 L 4.2308 8.2284 120.9157 56.2569 42.7479 176.9540 54 G 3.9089 8.4350 111.3886 45.8887 0.0000 173.0167 55 D 5.0519 7.7150 119.3466 53.0320 43.5980 175.2153 56 V 4.9057 8.3548 119.4094 61.4374 34.1054 174.8416 57 V 4.8627 8.3330 119.7046 59.8066 36.4845 174.4911 58 E 4.6150 8.6452 121.7310 56.0000 31.5542 175.6599 59 I 4.7897 8.9718 122.4427 59.5941 40.8241 174.1944 60 I 4.6755 7.9674 127.0145 58.7364 40.2901 174.6196 61 E 2.7798 8.1092 129.5900 56.8218 30.3170 176.2234 62 S 4.4929 7.6813 118.3934 58.0062 67.0936 173.2279 63 R 4.3220 8.4760 120.3953 54.9836 30.8456 174.9551 64 P 4.5698 0.0000 0.0000 63.4285 31.8783 175.9996 65 I 4.4720 7.9759 119.4827 60.5796 39.2888 175.5623 66 S 4.5793 7.5139 112.9288 57.3474 64.5224 176.3509 67 K 3.9320 7.8477 121.7968 57.4072 32.3515 178.2841 68 R 3.8774 8.5298 121.0450 56.7337 30.4665 175.7414 69 K 4.5648 8.3079 119.4602 54.8096 33.3861 176.1045 70 R 4.8668 8.5061 121.9588 55.4358 34.1088 174.4190 71 F 5.2286 8.4167 117.9270 55.0767 41.5596 174.9899 72 R 4.8969 8.4991 121.9644 54.4030 32.5053 176.0282 73 V 3.2645 7.9052 122.5073 64.6995 31.6386 174.4907 74 L 4.2389 9.1027 132.8587 56.0377 42.0537 178.0803 75 R 4.9240 8.8772 110.3981 54.1500 33.8394 176.1249 76 L 4.5065 8.9518 123.0722 55.9375 42.3350 176.5373 77 V 4.5315 9.2080 122.6417 61.4857 34.0898 175.6102 78 E 5.4089 7.6584 123.4560 56.3079 30.4540 176.4453 79 S 4.5845 8.4432 116.6024 57.3941 63.8588 170.4126 80 G 3.8567 8.6076 118.2041 46.1804 0.0000 173.3728 81 R 5.0976 7.8108 122.6008 56.3961 33.8736 177.0261 82 M 4.1171 8.1033 121.1196 58.3471 32.3971 178.2857 83 D 4.3911 8.3998 118.9776 56.8487 39.1687 178.5363 84 L 3.9565 7.8867 120.9544 57.1396 41.4598 179.5245 85 V 3.6697 7.5244 117.5150 66.5603 31.2932 178.0397 86 E 4.0426 8.0814 117.5676 59.1186 29.1472 179.0217 87 K 4.0637 7.7217 116.0476 58.1299 32.4728 175.9221 88 Y 4.5937 7.4095 118.3272 58.5487 40.3878 176.2018 89 L 3.4155 9.3637 120.0665 59.0387 41.8113 179.0445 90 I 3.6059 8.2178 119.3236 64.1539 36.9370 178.2051 91 R 3.8279 7.7746 118.3774 60.2872 29.8093 177.5235 92 R 3.5762 8.6187 118.2248 59.1159 29.9673 179.4431 93 Q 3.5585 8.0889 118.1448 58.4400 30.1530 179.1612 94 N 4.6780 7.2203 114.6155 54.3834 38.6714 176.0836 95 Y 4.2882 9.4227 119.5308 61.2450 38.0969 177.8301 96 E 3.9331 7.6026 117.5466 57.9919 30.6995 177.2832 97 S 4.8137 8.2098 113.3125 56.8949 62.2603 175.0218 98 L 4.6267 7.3466 114.2243 56.3475 46.4114 176.1134 99 S 4.8718 7.7657 121.1722 58.6033 61.9394 177.3928 100 K 4.3541 8.4757 112.9990 54.9222 31.4003 176.6182 *101 R 4.1415 7.7940 119.8413 56.2889 30.0213 176.6870 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 2 P 0.00 4.30 0.00 2.16 2.09 0.00 3.71 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.97 0.00 3 K 8.57 3.86 0.00 1.76 1.70 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.43 7.81 4 K 7.92 4.13 0.00 1.82 1.64 0.00 1.52 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.50 1.50 7.81 5 V 8.11 4.93 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 0.87 0.00 0.00 0.89 0.00 0.00 6 L 8.74 4.89 0.00 1.38 1.40 0.51 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.59 4.83 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 1.25 0.00 0.00 8 G 8.20 4.55 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 0.00 0.00 0.00 9 V 8.31 4.64 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 1.05 0.00 0.00 0.94 0.00 0.00 10 V 8.11 4.66 2.29 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 1.00 0.00 0.00 1.08 0.00 0.00 11 V 8.03 4.64 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 0.62 0.00 0.00 0.81 0.00 0.00 12 S 7.85 4.61 0.00 3.90 3.72 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 0.00 0.00 0.00 0.00 13 D 8.97 4.81 0.00 2.85 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 14 K 7.77 4.31 0.00 1.79 1.85 0.00 1.81 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.45 7.81 15 M 7.15 4.27 0.00 1.92 1.91 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 16 Q 8.20 4.42 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 5.90 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 17 K 8.79 4.59 0.00 1.95 1.87 0.00 1.93 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.42 7.81 18 T 7.60 5.33 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 1.28 0.00 0.00 19 V 8.75 4.73 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 0.76 0.00 0.00 0.92 0.00 0.00 20 T 8.52 4.70 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 1.16 0.00 0.00 21 V 8.50 5.09 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 1.07 0.00 0.00 0.91 0.00 0.00 22 L 8.37 4.40 0.00 1.45 1.36 0.84 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 23 V 9.06 4.49 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 0.95 0.00 0.00 1.10 0.00 0.00 24 E 9.09 4.61 0.00 1.89 1.86 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 2.28 2.14 0.00 25 R 7.69 4.65 0.00 1.91 2.08 0.00 3.19 0.00 0.00 3.51 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 26 Q 8.15 5.19 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.98 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 27 F 7.14 4.63 0.00 3.12 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 28 P 0.00 5.39 0.00 2.07 2.23 0.00 3.90 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 29 H 8.81 4.35 0.00 3.38 3.39 0.00 5.60 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.23 0.00 2.12 2.07 0.00 3.23 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 31 L 8.19 4.52 0.00 1.35 1.23 0.89 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 7.94 4.82 0.00 2.81 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 33 G 8.49 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 34 K 8.20 4.01 0.00 1.86 1.77 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.42 7.81 35 V 8.42 4.19 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 0.82 0.00 0.00 0.94 0.00 0.00 36 I 8.78 4.55 1.52 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 1.42 0.51 0.87 0.00 0.00 37 K 8.01 4.99 0.00 1.58 1.70 0.00 1.84 0.00 0.00 0.61 0.00 0.00 2.79 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.26 1.18 7.81 38 R 7.95 4.23 0.00 1.75 1.76 0.00 3.27 0.00 0.00 3.43 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.45 0.00 39 S 8.26 4.81 0.00 3.98 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 40 K 8.50 4.59 0.00 1.78 1.69 0.00 0.61 0.00 0.00 0.77 0.00 0.00 2.70 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.79 1.14 7.81 41 K 8.29 5.07 0.00 1.51 1.55 0.00 1.57 0.00 0.00 1.66 0.00 0.00 2.67 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.16 1.32 7.81 42 Y 9.03 4.46 0.00 2.73 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 43 L 8.46 4.92 0.00 1.48 1.64 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 44 A 9.41 5.00 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 45 H 8.79 4.88 0.00 3.32 3.27 0.00 5.83 0.00 0.00 0.00 0.00 6.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.52 4.88 0.00 2.78 2.54 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 47 P 0.00 4.82 0.00 2.26 2.19 0.00 3.84 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 48 E 8.97 4.53 0.00 1.93 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 2.26 2.34 0.00 49 E 7.06 4.54 0.00 2.04 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 0.00 2.34 2.33 0.00 50 K 8.02 4.34 0.00 1.52 1.78 0.00 1.36 0.00 0.00 1.64 0.00 0.00 3.29 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 0.61 7.81 51 Y 7.85 4.52 0.00 2.91 2.91 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 52 K 8.60 4.42 0.00 1.91 1.81 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.37 7.81 53 L 8.23 4.23 0.00 1.76 1.59 1.01 1.06 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 54 G 8.43 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 55 D 7.72 5.05 0.00 2.78 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 56 V 8.35 4.91 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 1.03 0.00 0.00 0.99 0.00 0.00 57 V 8.33 4.86 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 0.84 0.00 0.00 0.83 0.00 0.00 58 E 8.65 4.62 0.00 1.95 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 2.29 2.29 0.00 59 I 8.97 4.79 1.84 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 1.07 0.93 1.10 0.00 0.00 60 I 7.97 4.68 1.79 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 0.95 1.33 0.91 0.00 0.00 61 E 8.11 2.78 0.00 1.43 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 2.10 1.81 0.00 62 S 7.68 4.49 0.00 3.91 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 63 R 8.48 4.32 0.00 1.76 1.81 0.00 3.43 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 64 P 0.00 4.57 0.00 2.09 2.03 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.18 0.00 65 I 7.98 4.47 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.43 0.87 0.00 0.00 66 S 7.51 4.58 0.00 3.95 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 67 K 7.85 3.93 0.00 1.81 1.72 0.00 1.85 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.43 7.81 68 R 8.53 3.88 0.00 1.92 1.99 0.00 3.23 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 69 K 8.31 4.56 0.00 1.77 1.78 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.61 7.81 70 R 8.51 4.87 0.00 2.03 2.25 0.00 3.25 0.00 0.00 3.38 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.80 0.00 71 F 8.42 5.23 0.00 2.89 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 72 R 8.50 4.90 0.00 1.80 1.88 0.00 3.16 0.00 0.00 3.09 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 73 V 7.91 3.26 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 -0.35 0.00 0.00 0.73 0.00 0.00 74 L 9.10 4.24 0.00 1.72 1.43 1.01 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.88 4.92 0.00 1.93 2.00 0.00 3.05 0.00 0.00 3.28 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.66 0.00 76 L 8.95 4.51 0.00 1.83 1.68 1.12 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 77 V 9.21 4.53 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 0.87 0.00 0.00 1.00 0.00 0.00 78 E 7.66 5.41 0.00 2.26 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 2.13 2.06 0.00 79 S 8.44 4.58 0.00 3.86 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 80 G 8.61 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 81 R 7.81 5.10 0.00 2.16 1.88 0.00 3.33 0.00 0.00 3.44 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.58 0.00 82 M 8.10 4.12 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.51 0.00 83 D 8.40 4.39 0.00 2.87 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 84 L 7.89 3.96 0.00 1.85 1.81 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.52 3.67 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 1.09 0.00 0.00 0.98 0.00 0.00 86 E 8.08 4.04 0.00 2.03 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 2.33 2.52 0.00 87 K 7.72 4.06 0.00 1.97 1.91 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.67 1.63 7.81 88 Y 7.41 4.59 0.00 2.97 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 89 L 9.36 3.42 0.00 1.94 1.57 0.92 0.97 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 90 I 8.22 3.61 1.95 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 1.37 1.23 0.86 0.00 0.00 91 R 7.77 3.83 0.00 1.75 2.13 0.00 3.42 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 92 R 8.62 3.58 0.00 1.61 1.82 0.00 3.08 0.00 0.00 3.10 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 93 Q 8.09 3.56 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.63 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 94 N 7.22 4.68 0.00 2.70 2.76 0.00 0.00 6.99 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 95 Y 9.42 4.29 0.00 3.11 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 96 E 7.60 3.93 0.00 2.02 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 0.00 2.35 2.30 0.00 97 S 8.21 4.81 0.00 3.97 3.98 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 98 L 7.35 4.63 0.00 1.75 1.69 1.10 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 99 S 7.77 4.87 0.00 3.98 3.46 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 0.00 100 K 8.48 4.35 0.00 1.73 1.77 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.33 7.81 *101 R 7.79 4.14 0.00 1.57 1.74 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.