NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 K 4.2889 8.3149 120.1388 57.5606 33.4868 174.1115 14 I 3.5535 9.0002 123.3220 61.0875 34.5479 172.5399 15 L 4.4857 7.7442 117.1950 53.9771 43.1296 175.6263 16 E 3.9946 8.0654 120.7877 57.1523 30.2677 175.6055 17 L 5.0866 8.5488 125.3067 52.9997 45.1011 175.7261 18 V 4.4057 8.8862 122.7181 60.4069 33.3027 173.3661 19 P 4.3625 0.0000 0.0000 62.7004 31.7052 176.2364 20 L 4.1630 8.2002 124.0725 56.3443 42.1758 176.1763 21 S 4.4217 6.8162 110.2995 56.9948 65.0489 173.1644 22 P 4.3386 0.0000 0.0000 65.1936 31.1687 177.4274 23 T 4.9304 7.8320 106.8687 61.1146 70.4585 173.5928 24 S 5.3285 7.3563 117.0527 57.5505 67.3748 172.9377 25 F 5.3021 9.4410 121.4378 56.0880 43.8971 173.7037 26 V 5.2127 8.9384 120.5442 60.9607 35.2752 174.8126 27 T 4.1671 8.5024 116.7131 62.3977 68.6600 174.2322 28 K 3.7857 8.4847 126.6513 58.9785 32.3938 176.5839 29 Y 4.8530 7.4048 116.2438 55.6771 39.9372 175.6304 30 L 4.0070 8.7745 125.1430 55.1841 41.6944 176.6672 *39 G 3.9090 7.7323 107.4556 44.8793 0.0000 173.1718 40 T 4.7504 7.1825 114.2788 60.9597 70.3173 175.9472 41 F 4.0870 8.6908 125.2443 61.5898 39.4372 175.9006 42 G 3.7118 8.1063 104.7704 47.8979 0.0000 175.8428 43 G 3.6749 7.8604 108.5344 47.4946 0.0000 176.0164 44 T 3.8115 7.3494 117.7092 66.4354 68.4613 176.8412 45 L 3.7197 7.4518 120.8828 57.5436 41.4423 179.8506 46 V 3.7143 7.6144 118.1140 66.0461 31.5475 178.2747 47 S 4.0554 8.0804 114.9111 61.8957 62.6603 176.8740 48 Q 3.7740 8.2734 120.9501 58.6331 28.2889 178.8805 49 S 3.8352 7.8113 116.4374 61.2792 62.8140 176.4992 50 L 3.8875 7.9211 122.8961 58.1325 41.6792 178.8260 51 L 3.7592 7.5084 117.2614 57.6912 41.6928 178.9754 52 A 3.0885 7.6552 120.8593 54.9887 18.2322 179.9185 53 S 4.1175 7.9246 112.6055 61.5804 63.2517 176.6529 54 L 4.0443 8.0590 122.4620 57.4478 41.1147 178.3880 55 H 4.6432 7.5811 114.6609 57.0475 28.8414 175.7622 56 T 4.4856 7.6543 109.9513 61.2111 69.4616 174.5769 57 V 4.2077 6.8306 113.8842 58.5686 35.2245 173.7260 58 P 4.4040 0.0000 0.0000 62.0871 31.9397 177.2440 59 L 3.8186 8.5275 121.9411 58.1070 42.0658 177.6810 60 N 4.2208 7.9554 112.9059 52.7450 38.8569 173.8766 61 F 4.6611 7.7579 118.5089 56.6586 39.2780 175.1780 62 F 5.1511 8.8646 123.4080 54.9005 41.6228 174.0257 63 P 4.4303 0.0000 0.0000 63.1985 31.0709 176.1273 64 T 4.5672 8.9227 114.9333 62.9755 70.7034 174.8254 65 S 4.7878 7.5587 114.3249 56.8339 66.3169 173.2671 66 L 5.3517 8.2142 120.1612 54.6833 43.9904 175.9782 67 H 4.5069 9.0003 117.1516 55.0086 32.5361 172.4889 68 S 4.7450 8.2832 119.5554 56.5134 65.5461 173.3395 69 Y 4.0183 8.0416 122.3838 55.8257 40.2653 175.1182 70 F 4.7073 8.4884 124.0041 57.6638 38.6694 175.0224 71 I 4.3613 8.3822 125.1979 62.5223 38.6382 176.7174 72 K 4.4521 7.9543 118.7989 54.9021 34.7681 174.9478 73 G 3.7316 8.7989 114.4812 45.8332 0.0000 173.9205 74 G 3.8390 7.8330 110.9641 43.8540 0.0000 172.9287 75 D 4.6536 7.6139 117.1320 54.4736 42.0566 176.9759 76 P 4.2685 0.0000 0.0000 64.8949 29.0989 175.9293 77 R 4.6824 8.9599 115.2785 55.6690 31.7906 175.6055 78 T 4.6621 7.2067 107.3480 59.9268 71.6598 173.5614 79 K 4.6771 7.1783 121.2961 51.3233 32.8063 174.7443 80 I 4.6696 8.5454 123.5068 59.8197 40.1195 174.5073 81 T 4.9743 8.7860 123.9998 62.1522 70.7469 172.9465 82 Y 5.3067 9.4889 124.8447 56.7492 40.5177 174.3405 83 H 5.5422 9.4504 121.4263 54.1119 31.7091 173.2829 84 V 4.9010 8.9924 123.9428 61.3310 32.9487 174.6065 85 Q 4.7153 9.2033 129.2557 54.1971 32.2743 173.5963 86 N 4.8563 8.8073 124.8517 53.2724 38.9935 174.2042 87 L 4.4492 8.8751 127.3382 57.0341 43.0202 177.4457 88 R 4.6585 7.6907 115.9270 55.3561 33.4401 173.2660 89 N 5.2242 8.8235 122.0555 51.4415 41.8746 173.7808 90 G 3.4253 7.0948 110.2777 42.9021 0.0000 173.5180 91 R 3.9440 8.5579 117.3916 59.2538 30.0222 177.8976 92 N 4.8938 8.0743 112.2750 53.0204 40.0905 174.1698 93 F 5.9541 7.6009 111.8605 55.1712 42.0242 173.8110 94 I 5.1570 9.2576 120.1978 60.0215 41.0522 174.0511 95 H 5.4949 9.4768 123.6796 54.2673 31.1772 173.2109 96 K 5.1068 9.4043 123.6136 54.7085 35.1963 175.0916 97 Q 4.9978 9.0708 125.0937 54.4765 31.4002 174.1570 98 V 4.9669 9.0584 127.2242 61.4283 33.8719 174.2297 99 S 5.2818 9.2065 123.9687 56.7343 65.5900 172.8714 100 A 4.9321 9.0414 126.6760 50.4803 21.2665 175.2475 101 Y 5.5641 8.6016 118.0213 55.3629 42.7829 174.7247 102 Q 4.5984 8.3175 119.4918 55.2822 33.4220 174.8609 103 H 4.1017 9.5135 120.6040 57.1866 26.3444 174.8957 104 D 4.4396 8.4722 114.4835 54.8781 38.9578 173.5878 105 K 4.6479 7.9566 119.5168 54.1207 33.7361 175.6541 106 L 3.7751 8.6946 125.6408 55.4325 42.4175 176.2591 107 I 4.4586 8.1340 119.5496 60.8460 39.8609 175.0703 108 F 5.0930 7.3704 122.1219 57.8621 42.4992 172.4111 109 T 5.1139 7.4905 114.4348 60.0896 72.5606 172.8224 110 S 5.1246 9.1319 118.4333 57.1404 67.7073 172.8236 111 M 4.9705 8.9950 122.9884 54.0199 33.7801 175.0385 112 I 4.7838 8.8256 125.3764 59.3717 40.3485 174.5771 113 L 5.2278 8.7510 127.3828 53.0606 44.2169 175.6244 114 F 5.6253 9.6304 121.0634 55.7524 43.1089 173.9477 115 A 5.4856 9.3868 123.0678 49.9807 22.5501 175.6165 116 V 3.4558 8.0491 121.2615 62.7972 32.0736 175.4790 117 Q 4.7019 8.5769 126.6745 54.3660 30.7791 176.1268 118 R 4.1843 8.3362 120.1366 56.4609 30.8846 175.5740 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 13 K 8.31 4.29 0.00 1.80 1.88 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.50 7.81 14 I 9.00 3.55 1.91 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 1.45 0.45 0.96 0.00 0.00 15 L 7.74 4.49 0.00 1.59 1.65 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.07 3.99 0.00 2.11 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 2.39 2.41 0.00 17 L 8.55 5.09 0.00 1.60 1.71 0.58 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 18 V 8.89 4.41 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 1.04 0.00 0.00 0.86 0.00 0.00 19 P 0.00 4.36 0.00 2.08 1.97 0.00 3.83 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.06 0.00 20 L 8.20 4.16 0.00 1.57 1.68 0.90 0.72 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 21 S 6.82 4.42 0.00 3.83 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 22 P 0.00 4.34 0.00 2.04 2.14 0.00 3.55 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 1.99 2.03 0.00 23 T 7.83 4.93 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 24 S 7.36 5.33 0.00 3.62 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 25 F 9.44 5.30 0.00 3.10 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.94 5.21 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 1.03 0.00 0.00 0.96 0.00 0.00 27 T 8.50 4.17 4.31 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 1.50 0.00 0.00 28 K 8.48 3.79 0.00 1.51 0.96 0.00 1.55 0.00 0.00 1.32 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.44 1.06 7.81 29 Y 7.40 4.85 0.00 3.01 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 30 L 8.77 4.01 0.00 1.70 1.70 0.98 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 *39 G 7.73 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 40 T 7.18 4.75 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 1.21 0.00 0.00 41 F 8.69 4.09 0.00 3.07 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 42 G 8.11 3.71 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 0.00 0.00 0.00 43 G 7.86 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 0.00 0.00 0.00 44 T 7.35 3.81 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 1.10 0.00 0.00 45 L 7.45 3.72 0.00 1.05 0.13 0.60 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 46 V 7.61 3.71 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 1.07 0.00 0.00 1.19 0.00 0.00 47 S 8.08 4.06 0.00 4.04 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 48 Q 8.27 3.77 0.00 1.71 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 49 S 7.81 3.84 0.00 4.28 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 50 L 7.92 3.89 0.00 1.81 1.79 0.90 0.52 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 51 L 7.51 3.76 0.00 1.56 1.46 0.83 0.53 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 52 A 7.66 3.09 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 0.00 0.00 0.00 0.00 0.00 0.00 53 S 7.92 4.12 0.00 4.37 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 54 L 8.06 4.04 0.00 1.77 1.73 0.97 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 55 H 7.58 4.64 0.00 3.17 3.48 0.00 5.64 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 T 7.65 4.49 4.22 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 1.38 0.00 0.00 57 V 6.83 4.21 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 -0.07 0.00 0.00 0.43 0.00 0.00 58 P 0.00 4.40 0.00 2.35 1.98 0.00 3.10 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.93 0.00 59 L 8.53 3.82 0.00 1.56 1.70 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 60 N 7.96 4.22 0.00 2.72 2.89 0.00 0.00 7.12 8.13 0.00 0.00 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 F 7.76 4.66 0.00 2.88 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 62 F 8.86 5.15 0.00 3.17 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 63 P 0.00 4.43 0.00 1.85 1.62 0.00 3.95 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 64 T 8.92 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 1.34 0.00 0.00 65 S 7.56 4.79 0.00 3.87 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 66 L 8.21 5.35 0.00 1.54 1.54 0.88 0.58 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 67 H 9.00 4.51 0.00 3.07 3.23 0.00 5.56 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 68 S 8.28 4.75 0.00 3.47 3.27 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 69 Y 8.04 4.02 0.00 2.70 2.78 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 0.00 0.00 0.00 70 F 8.49 4.71 0.00 3.08 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 71 I 8.38 4.36 1.95 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 1.13 0.57 1.00 0.00 0.00 72 K 7.95 4.45 0.00 1.72 1.69 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.43 7.81 73 G 8.80 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 0.00 0.00 0.00 74 G 7.83 3.84 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 0.00 0.00 0.00 75 D 7.61 4.65 0.00 2.73 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.27 0.00 2.14 2.22 0.00 3.52 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.88 0.00 77 R 8.96 4.68 0.00 2.00 1.92 0.00 3.45 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 78 T 7.21 4.66 4.20 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 0.00 0.00 0.00 1.27 0.00 0.00 79 K 7.18 4.68 0.00 1.80 1.80 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.54 7.81 80 I 8.55 4.67 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.77 0.33 0.00 0.00 81 T 8.79 4.97 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 1.17 0.00 0.00 82 Y 9.49 5.31 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.45 5.54 0.00 3.35 3.29 0.00 5.78 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 V 8.99 4.90 2.26 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 0.83 0.00 0.00 1.15 0.00 0.00 85 Q 9.20 4.72 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 86 N 8.81 4.86 0.00 2.76 2.73 0.00 0.00 7.06 7.78 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 87 L 8.88 4.45 0.00 1.86 1.77 0.96 1.04 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 R 7.69 4.66 0.00 1.97 1.90 0.00 3.22 0.00 0.00 3.41 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.70 0.00 89 N 8.82 5.22 0.00 2.45 2.49 0.00 0.00 6.69 7.65 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 90 G 7.09 3.43 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 0.00 91 R 8.56 3.94 0.00 1.81 2.04 0.00 3.20 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 92 N 8.07 4.89 0.00 2.89 2.91 0.00 0.00 6.52 8.13 0.00 0.00 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 7.60 5.95 0.00 3.40 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 I 9.26 5.16 1.95 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.62 0.89 0.00 0.00 95 H 9.48 5.49 0.00 3.23 3.28 0.00 5.60 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 K 9.40 5.11 0.00 1.86 1.83 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.67 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.61 1.65 7.81 97 Q 9.07 5.00 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 98 V 9.06 4.97 2.22 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 1.15 0.00 0.00 1.03 0.00 0.00 99 S 9.21 5.28 0.00 4.06 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 0.00 100 A 9.04 4.93 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 0.00 101 Y 8.60 5.56 0.00 2.90 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 0.00 102 Q 8.32 4.60 0.00 2.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.41 0.00 0.00 0.00 0.00 0.00 2.66 2.42 0.00 103 H 9.51 4.10 0.00 3.35 3.39 0.00 5.85 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 D 8.47 4.44 0.00 2.86 2.74 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 0.00 105 K 7.96 4.65 0.00 2.10 1.78 0.00 1.87 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.47 7.81 106 L 8.69 3.78 0.00 1.45 1.54 0.49 0.93 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 0.00 107 I 8.13 4.46 2.19 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 1.22 0.63 1.03 0.00 0.00 108 F 7.37 5.09 0.00 3.11 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 0.00 109 T 7.49 5.11 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 1.14 0.00 0.00 110 S 9.13 5.12 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 0.00 111 M 8.99 4.97 0.00 1.86 1.96 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 2.51 2.66 0.00 112 I 8.83 4.78 1.87 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 1.19 0.86 0.34 0.00 0.00 113 L 8.75 5.23 0.00 1.44 1.46 0.67 0.37 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 0.00 114 F 9.63 5.63 0.00 3.14 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 0.00 115 A 9.39 5.49 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 0.00 116 V 8.05 3.46 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 0.71 0.00 0.00 117 Q 8.58 4.70 0.00 2.22 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.50 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 118 R 8.34 4.18 0.00 1.73 1.76 0.00 3.22 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 * Residues marked with a * may have inaccurate shift predictions.