NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.1434 8.1127 120.8581 56.8518 30.6776 176.2632 3 V 2.7325 8.6957 122.9257 62.1679 31.5375 170.6594 4 K 4.7236 9.4582 121.4214 56.8455 33.5975 175.6976 5 M 4.3346 7.9501 117.9226 56.0125 33.6128 174.8257 6 H 4.7694 8.5148 114.4637 55.2170 31.1640 174.8156 7 V 3.6301 8.0554 112.9983 63.9593 31.2891 176.3408 8 K 4.8376 7.5042 115.3388 54.4037 36.4069 175.9388 9 K 4.2788 7.5971 123.3753 56.6795 33.9365 179.7193 10 G 3.9204 8.6122 102.5204 43.8348 0.0000 170.3556 11 D 4.6465 7.0965 117.8619 52.4641 42.8142 174.8687 12 T 4.3682 8.3446 115.7102 63.8859 69.3010 174.2366 13 V 4.7187 9.0657 124.4367 60.3317 35.5700 173.5548 14 L 4.9888 9.5135 124.2004 53.4823 45.4576 175.4714 15 V 4.6701 8.6690 121.9035 61.0885 33.4008 174.8925 16 A 4.5802 8.6034 128.7729 50.3907 19.2477 177.9877 17 S 4.5463 8.2188 107.4234 59.0762 62.9568 175.1614 18 G 3.8611 8.9180 105.1440 45.4510 0.0000 173.9362 19 K 3.7860 9.2416 120.6824 58.9823 33.1698 177.1343 20 Y 4.5982 7.2964 115.6630 57.0818 38.5150 175.9611 21 K 4.2219 7.8010 120.1869 57.4074 33.0490 178.2345 22 G 4.1019 8.6102 110.1196 46.4436 0.0000 174.8309 23 R 4.2282 7.7713 118.9261 56.2582 31.4175 175.9073 24 V 4.7642 8.3240 121.1767 61.2524 34.2665 174.7158 25 G 4.2419 9.2804 113.8270 44.7157 0.0000 172.5466 26 K 4.3055 8.3360 119.4890 55.8733 33.6973 175.3040 27 V 3.4780 7.2086 116.3759 63.8864 31.4635 175.9093 28 K 4.3507 8.5598 127.8880 59.7300 32.5236 177.5390 29 E 3.7386 7.7002 113.2615 57.1894 25.4179 175.5393 30 V 3.7441 7.7098 125.6379 62.8010 31.6851 175.2067 31 L 4.1701 7.3864 126.0597 54.5744 42.1327 175.4826 32 P 4.7841 0.0000 0.0000 62.5831 32.1547 176.9492 33 K 4.2447 7.9289 115.7398 57.4688 31.3699 177.3244 34 K 4.5449 8.9289 113.8275 55.5773 37.7111 174.9799 35 Y 3.1758 8.0161 119.1619 58.8124 36.6265 168.2542 36 A 5.4121 7.6375 119.0834 50.4032 23.7684 178.2314 37 V 4.7794 7.7777 114.2591 59.8186 31.8022 175.6086 38 I 3.8684 8.9841 132.5943 62.5971 43.0424 174.7472 39 V 3.2800 7.5469 117.9632 62.6011 31.1270 172.4932 40 E 4.6466 8.6927 118.7381 56.2900 30.1315 176.0017 41 G 3.4971 7.6968 108.8529 44.2248 0.0000 173.2335 42 V 2.1117 5.4500 113.4795 63.4258 29.8029 171.7242 43 N 5.7815 8.3430 121.5849 50.7936 42.6273 174.2838 44 I 4.3883 9.3971 119.5745 60.5160 40.6869 174.9964 45 V 4.0798 8.0416 121.0309 61.3855 32.0490 175.0794 46 K 4.2666 8.4332 128.2620 55.2827 32.8784 176.3075 47 K 3.8136 9.1866 126.5094 59.5890 32.1741 175.8978 48 A 3.3680 7.9611 127.0316 51.5178 15.0414 176.0391 49 V 3.8134 7.9548 119.3079 63.4323 32.6589 177.5100 50 R 4.3213 8.2533 122.9061 55.9577 28.1070 176.5875 51 V 4.2684 7.2556 111.7406 60.7608 33.9242 178.1455 52 S 4.0814 9.2897 118.6487 62.7766 62.8092 176.5581 53 P 3.9625 0.0000 0.0000 64.1717 31.6972 176.7392 54 K 4.3623 7.4389 112.2182 56.9576 36.5209 174.9868 55 Y 4.7830 7.0799 115.6704 56.6212 38.3047 173.7551 56 P 4.1036 0.0000 0.0000 63.3542 30.6930 173.8086 57 Q 3.3317 8.6680 123.7569 57.7908 27.6053 175.0772 58 G 4.0915 8.8021 116.7158 44.7629 0.0000 172.3906 59 G 4.1327 8.8891 122.1248 48.6149 0.0000 172.7813 60 F 6.3000 7.7102 135.0000 58.0073 41.1986 173.5080 61 I 4.3747 7.3960 121.1889 59.1485 39.5290 174.0328 62 E 4.7932 8.3997 126.2595 54.2796 33.5954 174.1574 63 K 4.6496 8.2057 122.8596 56.2282 31.8121 174.9799 64 E 4.7197 8.4894 116.6740 53.8433 31.5494 175.6464 65 A 4.1150 8.9198 127.8438 51.4308 19.2001 175.4966 66 P 4.2602 0.0000 0.0000 65.3884 31.6052 172.7883 67 L 3.5202 8.0630 129.6658 54.0395 41.8812 172.6882 68 H 4.4832 8.8157 125.9976 56.3291 29.5535 175.4849 69 A 3.8553 8.9638 131.9229 55.3424 18.2838 179.2891 70 S 4.3906 8.3399 109.0175 60.8929 62.9634 174.7771 71 K 4.3037 8.8795 118.8393 57.1159 32.2288 176.4492 72 V 4.9607 7.0978 111.3081 60.0324 34.2346 175.4760 73 R 4.8144 8.6822 120.2391 54.2633 34.5319 173.5361 74 P 5.0132 0.0000 0.0000 62.8347 33.3286 174.8977 75 I 4.7491 7.8652 118.3209 59.8135 40.9251 173.3126 76 C 4.4491 8.7876 125.1349 59.4538 34.5654 172.4644 77 P 4.0258 0.0000 0.0000 62.1322 28.8499 175.2079 78 A 4.6464 6.6302 127.2488 53.1024 21.4883 175.1368 79 C 5.1154 7.8760 112.5102 58.3286 32.6250 173.8336 80 G 3.9462 8.6604 105.4873 45.8950 0.0000 174.0887 81 K 4.1922 9.3284 124.4946 55.3793 31.9077 175.6652 82 P 4.6406 0.0000 0.0000 62.6059 31.6459 175.1391 83 T 4.7698 8.1953 108.0007 60.9387 71.9391 173.0574 84 R 4.7469 9.2240 123.6430 54.5401 34.0974 174.0069 85 V 4.8541 8.2318 120.3164 60.9787 34.2344 174.3706 86 R 4.7865 9.1573 127.8221 54.2560 31.6488 176.8581 87 K 3.8371 8.6315 123.3133 59.5109 32.5911 178.9762 88 K 3.8785 8.2546 116.8506 55.5990 28.9222 176.8960 89 F 3.9564 8.2900 117.9136 57.9597 38.0899 174.1532 90 L 4.5757 7.1714 125.9669 56.3720 44.0883 174.7994 91 E 4.6311 6.9627 114.8437 55.1699 28.5952 177.1873 92 N 4.7304 8.6103 122.5978 53.9882 41.6380 172.9481 93 G 4.4067 8.7736 112.5352 44.8107 0.0000 171.2878 94 K 5.1033 8.5983 120.5887 55.1269 34.8178 175.3036 95 K 4.9516 8.7947 125.0212 53.8818 35.7010 176.5267 96 I 4.3930 8.3031 129.2157 61.2047 36.3770 178.6788 97 R 4.2999 8.0908 122.7321 55.8735 30.0225 173.6554 98 V 3.1946 8.5095 125.3953 61.6645 29.2197 171.0690 99 C 4.8688 7.1554 120.1573 60.7438 33.5207 173.2055 100 A 4.1755 8.8790 125.5202 53.0908 21.1561 176.5521 101 K 3.9144 8.6162 122.2167 56.6172 32.4655 175.3791 *102 C 4.3630 8.3646 114.3187 58.0116 28.5244 170.1293 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 R 8.11 4.14 0.00 1.82 1.89 0.00 3.46 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 3 V 8.70 2.73 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 0.81 0.00 0.00 0.93 0.00 0.00 4 K 9.46 4.72 0.00 1.73 1.81 0.00 1.50 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.73 7.81 5 M 7.95 4.33 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.47 0.00 6 H 8.51 4.77 0.00 3.01 3.29 0.00 5.76 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.06 3.63 2.05 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 0.74 0.00 0.00 0.95 0.00 0.00 8 K 7.50 4.84 0.00 1.57 1.65 0.00 1.52 0.00 0.00 1.66 0.00 0.00 3.21 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.28 1.40 7.81 9 K 7.60 4.28 0.00 1.98 1.33 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.39 7.81 10 G 8.61 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 0.00 0.00 0.00 11 D 7.10 4.65 0.00 2.84 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 12 T 8.34 4.37 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 13 V 9.07 4.72 2.06 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 0.78 0.00 0.00 0.99 0.00 0.00 14 L 9.51 4.99 0.00 1.65 1.68 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.67 4.67 2.32 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 1.00 0.00 0.00 0.94 0.00 0.00 16 A 8.60 4.58 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 17 S 8.22 4.55 0.00 4.04 3.35 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 0.00 18 G 8.92 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 19 K 9.24 3.79 0.00 1.82 2.07 0.00 1.88 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.04 1.36 7.81 20 Y 7.30 4.60 0.00 3.13 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 21 K 7.80 4.22 0.00 2.02 1.69 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.52 7.81 22 G 8.61 4.10 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 0.00 0.00 0.00 23 R 7.77 4.23 0.00 1.93 1.93 0.00 3.27 0.00 0.00 3.13 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.92 0.00 24 V 8.32 4.76 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 0.83 0.00 0.00 1.00 0.00 0.00 25 G 9.28 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 0.00 0.00 0.00 0.00 26 K 8.34 4.31 0.00 1.90 1.72 0.00 1.55 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.41 7.81 27 V 7.21 3.48 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 1.32 0.00 0.00 0.96 0.00 0.00 28 K 8.56 4.35 0.00 1.79 1.88 0.00 1.66 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.40 7.81 29 E 7.70 3.74 0.00 1.99 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 0.00 2.25 2.34 0.00 30 V 7.71 3.74 2.06 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 0.80 0.00 0.00 0.90 0.00 0.00 31 L 7.39 4.17 0.00 1.68 1.62 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.78 0.00 2.03 2.16 0.00 3.69 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 1.93 1.84 0.00 33 K 7.93 4.24 0.00 1.74 1.85 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.48 7.81 34 K 8.93 4.54 0.00 1.71 1.80 0.00 1.92 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.39 7.81 35 Y 8.02 3.18 0.00 3.23 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 36 A 7.64 5.41 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 37 V 7.78 4.78 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 0.89 0.00 0.00 0.97 0.00 0.00 38 I 8.98 3.87 1.93 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 0.33 0.91 0.00 0.00 39 V 7.55 3.28 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 0.91 0.00 0.00 0.89 0.00 0.00 40 E 8.69 4.65 0.00 1.93 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 2.20 2.31 0.00 41 G 7.70 3.50 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 0.00 0.00 0.00 42 V 5.45 2.11 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 0.88 0.00 0.00 0.47 0.00 0.00 43 N 8.34 5.78 0.00 2.75 2.83 0.00 0.00 6.73 6.73 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 44 I 9.40 4.39 1.86 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 1.20 0.49 0.90 0.00 0.00 45 V 8.04 4.08 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 0.09 0.00 0.00 0.71 0.00 0.00 46 K 8.43 4.27 0.00 1.75 1.67 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.46 7.81 47 K 9.19 3.81 0.00 1.77 1.81 0.00 2.26 0.00 0.00 1.84 0.00 0.00 3.21 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.46 1.45 7.81 48 A 7.96 3.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.95 3.81 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 0.83 0.00 0.00 0.90 0.00 0.00 50 R 8.25 4.32 0.00 1.94 2.01 0.00 3.12 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 51 V 7.26 4.27 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 0.85 0.00 0.00 1.05 0.00 0.00 52 S 9.29 4.08 0.00 3.86 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 53 P 0.00 3.96 0.00 2.09 2.13 0.00 3.70 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 54 K 7.44 4.36 0.00 1.38 0.96 0.00 1.59 0.00 0.00 1.53 0.00 0.00 2.91 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.01 1.27 7.81 55 Y 7.08 4.78 0.00 3.15 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 56 P 0.00 4.10 0.00 2.18 2.16 0.00 4.03 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 57 Q 8.67 3.33 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.20 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 58 G 8.80 4.09 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 0.00 0.00 0.00 59 G 8.89 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 F 7.71 6.30 0.00 3.06 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 61 I 7.40 4.37 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.76 0.95 0.00 0.00 62 E 8.40 4.79 0.00 1.99 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 2.18 0.00 63 K 8.21 4.65 0.00 1.75 1.54 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.44 7.81 64 E 8.49 4.72 0.00 1.90 1.75 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 2.15 2.28 0.00 65 A 8.92 4.11 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 66 P 0.00 4.26 0.00 2.04 2.15 0.00 3.76 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 67 L 8.06 3.52 0.00 1.84 1.65 0.87 0.86 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 68 H 8.82 4.48 0.00 3.25 3.24 0.00 5.77 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.96 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 8.34 4.39 0.00 4.08 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 71 K 8.88 4.30 0.00 1.96 1.86 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.47 7.81 72 V 7.10 4.96 2.06 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 0.69 0.00 0.00 0.94 0.00 0.00 73 R 8.68 4.81 0.00 1.72 1.76 0.00 3.14 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 74 P 0.00 5.01 0.00 2.11 2.17 0.00 3.69 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 2.07 1.96 0.00 75 I 7.87 4.75 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 1.28 1.65 0.91 0.00 0.00 76 C 8.79 4.45 0.00 2.93 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 77 P 0.00 4.03 0.00 2.16 2.39 0.00 3.87 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.08 0.00 78 A 6.63 4.65 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 79 C 7.88 5.12 0.00 3.09 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 80 G 8.66 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 0.00 0.00 0.00 81 K 9.33 4.19 0.00 1.95 1.97 0.00 1.76 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.44 7.81 82 P 0.00 4.64 0.00 2.05 2.05 0.00 3.63 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 83 T 8.20 4.77 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 1.22 0.00 0.00 84 R 9.22 4.75 0.00 1.83 1.87 0.00 3.04 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 85 V 8.23 4.85 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 0.91 0.00 0.00 0.94 0.00 0.00 86 R 9.16 4.79 0.00 1.86 1.74 0.00 3.17 0.00 0.00 3.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 87 K 8.63 3.84 0.00 2.00 2.07 0.00 1.70 0.00 0.00 1.89 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.59 7.81 88 K 8.25 3.88 0.00 2.09 2.13 0.00 1.72 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.50 7.81 89 F 8.29 3.96 0.00 3.08 3.17 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 90 L 7.17 4.58 0.00 1.72 1.58 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 91 E 6.96 4.63 0.00 1.95 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 2.28 2.37 0.00 92 N 8.61 4.73 0.00 2.65 2.64 0.00 0.00 6.54 7.98 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 93 G 8.77 4.41 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 0.00 0.00 0.00 94 K 8.60 5.10 0.00 1.84 1.95 0.00 1.45 0.00 0.00 1.75 0.00 0.00 2.78 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.42 7.81 95 K 8.79 4.95 0.00 1.82 1.65 0.00 1.64 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.32 1.45 7.81 96 I 8.30 4.39 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 1.47 0.65 0.91 0.00 0.00 97 R 8.09 4.30 0.00 1.86 1.92 0.00 3.11 0.00 0.00 3.16 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 98 V 8.51 3.19 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 0.78 0.00 0.00 0.93 0.00 0.00 99 C 7.16 4.87 0.00 2.98 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 0.00 100 A 8.88 4.18 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.62 3.91 0.00 1.83 1.78 0.00 1.64 0.00 0.00 2.61 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.37 7.81 *102 C 8.36 4.36 0.00 2.74 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 * Residues marked with a * may have inaccurate shift predictions.