NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.6251 8.4249 119.2091 53.5224 38.8015 173.7091 3 I 4.0080 7.9173 126.6015 58.4597 35.8227 174.3766 4 Y 4.3973 8.5238 124.3715 58.9540 39.9554 176.0246 5 K 4.3248 7.0775 120.8432 55.3984 35.6501 173.6879 6 L 5.3077 8.5860 129.6224 53.2528 44.5985 175.2641 7 I 4.7856 8.9229 118.9781 59.1520 41.5324 174.2647 8 G 4.4738 8.6670 109.1957 44.5807 0.0000 172.2980 9 R 4.5443 9.0953 121.6621 54.4977 32.9134 175.9531 10 N 4.3141 9.2390 120.5256 53.4825 36.1546 173.6781 11 L 4.4660 7.6472 117.1308 53.8799 45.0515 173.6925 12 E 4.4740 8.5483 125.9459 54.6048 30.8766 176.0570 13 I 4.0486 8.1481 127.5940 60.7723 36.1547 176.2279 14 T 4.3832 7.9460 117.0795 60.5713 71.7617 175.0726 15 D 4.3947 8.5587 119.8236 57.0948 40.7424 178.9091 16 A 4.0330 7.9595 121.0325 55.2858 18.5548 179.4639 17 I 3.7368 7.4635 117.0946 64.7113 37.3612 178.6757 18 R 3.9037 8.1401 119.4070 59.4903 29.8256 178.0060 19 D 4.3637 8.1496 117.6560 57.1013 41.2153 177.6185 20 Y 3.7569 7.9612 120.1294 60.5153 38.6783 178.1613 21 V 3.5633 7.9882 119.2269 65.8915 31.6381 177.8520 22 E 3.8951 7.9738 117.8161 59.4853 29.1389 179.5707 23 K 3.9278 7.7433 116.9927 59.2601 32.4332 179.3819 24 K 3.9608 7.7576 118.8076 59.4402 31.9747 179.4912 25 L 4.1272 8.1758 119.0300 57.3064 41.5267 179.2192 26 A 4.0181 8.0150 120.9853 55.0530 17.9990 179.5906 27 R 3.8813 7.3678 114.4456 59.0408 30.1754 178.2830 28 L 4.6101 7.6983 116.8940 56.2257 42.2040 178.1796 29 D 4.5866 8.2443 119.6356 56.3028 40.4357 177.1356 30 R 4.4655 7.4602 114.8798 56.7145 29.5070 176.3204 31 Y 4.8198 7.1967 113.4240 57.8835 39.3351 175.4272 32 Q 4.6301 7.3522 115.4095 55.7374 30.4614 173.7417 33 D 4.4550 8.9803 119.7642 57.0633 41.2484 177.8814 34 G 3.7792 7.9318 106.7855 45.4137 0.0000 172.6584 35 E 4.0808 8.5671 122.9533 55.7975 30.3496 175.7830 36 L 4.8008 8.0235 123.7036 52.6698 45.3084 175.1517 *38 A 4.4230 8.0340 119.2697 52.1593 20.4040 175.6612 39 K 4.3382 8.4844 119.9705 54.3256 35.4867 175.1312 40 V 4.7356 8.9663 127.1891 60.9799 34.7916 174.0654 41 V 4.7564 8.8812 127.8795 61.1929 33.9770 173.9508 42 L 5.3141 9.1420 128.2691 53.4054 44.5745 175.8559 43 S 5.1743 8.7737 117.2283 57.3784 68.1996 172.8217 44 L 5.3479 8.4440 120.3544 53.0637 44.4963 176.1494 45 A 4.7440 9.0713 124.8590 49.7155 23.0107 175.7598 46 G 3.8465 8.4706 108.3736 44.5100 0.0000 173.5531 *52 K 3.9986 8.2561 126.3363 55.6090 33.3110 174.5687 53 K 4.7955 8.4981 125.5646 54.5882 35.4839 174.4651 54 A 5.2496 9.0000 126.3317 50.1614 22.6269 175.0390 55 R 5.0969 8.9577 120.6087 54.4129 34.2972 173.9304 56 A 4.9055 9.2171 126.8473 50.3466 22.0324 174.6181 57 E 5.0512 9.0516 122.8431 55.1262 31.9769 175.5025 58 I 4.9747 8.6555 125.3456 59.3665 41.1946 174.2684 59 Q 5.1966 9.1094 128.1265 54.1186 31.9559 174.2069 60 V 4.7430 8.6934 126.2060 59.9317 34.0902 174.4556 61 D 5.0673 8.8183 125.3383 53.4687 41.9846 175.6437 62 L 4.6844 8.4583 121.8653 52.9131 43.8756 173.7865 63 P 4.3859 0.0000 0.0000 64.2789 31.2874 177.1532 64 G 4.0004 9.7673 111.2453 44.9468 0.0000 173.0304 65 G 4.1729 7.7292 106.8062 46.2415 0.0000 171.7472 66 L 4.8023 8.3527 119.1884 54.0448 45.1213 175.5070 67 V 4.5417 8.6027 125.5303 61.0312 34.9446 173.9382 68 R 5.0205 8.7072 127.0007 54.7479 32.4779 174.6290 69 V 4.6201 8.6020 119.1339 59.6839 35.3871 174.4096 70 E 5.1935 8.4997 122.3292 54.9273 32.5884 174.2076 71 E 4.8715 9.2615 125.3454 54.6384 33.8275 174.5005 72 E 5.2140 8.3505 121.4239 55.0039 33.0879 174.5652 73 D 4.4687 9.0275 119.4438 53.6428 44.9049 176.6713 74 A 4.0769 9.0099 126.0469 54.3070 18.8883 178.0405 75 D 4.8426 9.0278 115.8734 52.0715 43.5720 176.3100 76 L 3.9541 8.4618 128.5703 58.9328 42.1072 178.8320 77 Y 4.1208 8.1356 115.5715 60.9333 37.7453 178.3083 78 A 4.0647 8.2609 121.2614 54.8868 18.3827 179.5886 79 A 4.0086 7.8757 119.1830 55.3305 18.4793 179.9232 80 I 3.7060 7.9190 118.4205 64.4690 37.0702 178.3379 81 D 4.3821 8.4506 119.8830 57.5966 40.7721 178.9248 82 R 3.8759 8.1450 118.8339 59.1956 30.0458 178.3808 83 A 3.9820 8.2354 120.7932 55.3004 18.4735 179.8710 84 V 3.5769 7.9867 116.7425 65.9961 31.1690 177.9878 85 D 4.3796 8.2914 119.0832 57.4172 40.6764 179.0052 86 R 3.9435 8.1292 118.4867 59.3047 30.1225 179.0535 87 L 4.0110 8.0650 118.7651 57.7482 41.3874 179.2733 88 E 3.9204 8.2050 119.3373 59.3759 29.6860 178.9973 89 T 3.7609 7.4674 115.3336 66.6842 68.6395 176.4931 90 Q 4.0294 7.9531 119.7589 59.2581 28.6298 179.2925 91 V 3.5895 7.9865 118.1922 65.6200 31.5203 177.6201 92 K 3.9513 7.2591 117.6365 59.2765 33.0242 179.1068 93 R 4.0881 7.8855 118.7506 58.5865 29.6879 178.3458 94 F 4.0084 7.9340 113.9813 58.4633 38.6272 175.4614 95 R 4.2709 7.9278 124.0447 56.3495 30.0877 176.1277 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 N 8.42 4.63 0.00 2.73 2.91 0.00 0.00 7.04 7.06 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 3 I 7.92 4.01 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 1.41 0.75 0.81 0.00 0.00 4 Y 8.52 4.40 0.00 2.97 3.08 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 0.00 0.00 0.00 5 K 7.08 4.32 0.00 1.89 1.39 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.78 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.41 7.81 6 L 8.59 5.31 0.00 1.56 1.45 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.92 4.79 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 1.14 0.68 0.90 0.00 0.00 8 G 8.67 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 0.00 0.00 0.00 0.00 9 R 9.10 4.54 0.00 1.69 1.82 0.00 3.27 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 10 N 9.24 4.31 0.00 2.97 2.91 0.00 0.00 6.88 7.85 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 11 L 7.65 4.47 0.00 1.53 1.58 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.55 4.47 0.00 1.96 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 2.31 0.00 13 I 8.15 4.05 1.88 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 1.50 0.93 0.92 0.00 0.00 14 T 7.95 4.38 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 1.29 0.00 0.00 15 D 8.56 4.39 0.00 2.76 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 16 A 7.96 4.03 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 17 I 7.46 3.74 2.07 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 1.62 0.79 0.97 0.00 0.00 18 R 8.14 3.90 0.00 1.97 2.09 0.00 3.09 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.64 0.00 19 D 8.15 4.36 0.00 3.03 2.68 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 20 Y 7.96 3.76 0.00 3.06 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 21 V 7.99 3.56 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 1.02 0.00 0.00 0.98 0.00 0.00 22 E 7.97 3.90 0.00 2.20 1.94 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 2.30 2.45 0.00 23 K 7.74 3.93 0.00 1.49 1.72 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.53 7.81 24 K 7.76 3.96 0.00 1.79 1.72 0.00 1.51 0.00 0.00 1.38 0.00 0.00 2.21 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.79 1.24 7.81 25 L 8.18 4.13 0.00 1.73 1.68 0.87 1.08 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 26 A 8.02 4.02 1.35 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 0.00 0.00 27 R 7.37 3.88 0.00 1.87 2.03 0.00 3.12 0.00 0.00 3.17 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.89 0.00 28 L 7.70 4.61 0.00 1.69 1.84 0.93 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 29 D 8.24 4.59 0.00 2.79 2.68 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 30 R 7.46 4.47 0.00 1.65 1.80 0.00 2.72 0.00 0.00 3.00 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.74 0.00 31 Y 7.20 4.82 0.00 2.98 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 32 Q 7.35 4.63 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 7.10 0.00 0.00 0.00 0.00 0.00 2.28 2.20 0.00 33 D 8.98 4.46 0.00 2.70 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 34 G 7.93 3.78 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 0.00 0.00 0.00 35 E 8.57 4.08 0.00 1.94 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 2.29 2.27 0.00 36 L 8.02 4.80 0.00 1.63 1.57 0.98 0.79 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 *38 A 8.03 4.42 1.20 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 0.00 0.00 0.00 39 K 8.48 4.34 0.00 1.08 1.44 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.21 1.18 7.81 40 V 8.97 4.74 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 0.87 0.00 0.00 0.86 0.00 0.00 41 V 8.88 4.76 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 0.92 0.00 0.00 0.91 0.00 0.00 42 L 9.14 5.31 0.00 1.57 1.54 0.95 0.65 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 43 S 8.77 5.17 0.00 3.75 3.69 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 44 L 8.44 5.35 0.00 1.63 1.52 0.98 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 45 A 9.07 4.74 1.20 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 0.00 0.00 0.00 46 G 8.47 3.85 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 0.00 *52 K 8.26 4.00 0.00 1.74 1.74 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.57 7.81 53 K 8.50 4.80 0.00 1.90 1.60 0.00 1.51 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.33 1.40 7.81 54 A 9.00 5.25 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 0.00 0.00 0.00 0.00 0.00 55 R 8.96 5.10 0.00 1.87 1.72 0.00 3.04 0.00 0.00 3.37 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.72 0.00 56 A 9.22 4.91 1.23 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 0.00 0.00 57 E 9.05 5.05 0.00 1.92 1.87 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 2.23 2.26 0.00 58 I 8.66 4.97 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 1.09 1.06 0.92 0.00 0.00 59 Q 9.11 5.20 0.00 2.08 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 60 V 8.69 4.74 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 0.70 0.00 0.00 0.87 0.00 0.00 61 D 8.82 5.07 0.00 2.60 2.62 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 0.00 0.00 0.00 0.00 62 L 8.46 4.68 0.00 1.63 1.55 -0.13 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.39 0.00 2.10 2.08 0.00 3.70 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 2.04 2.09 0.00 64 G 9.77 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 7.73 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 0.00 0.00 0.00 66 L 8.35 4.80 0.00 1.63 1.53 0.99 0.81 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 67 V 8.60 4.54 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 1.01 0.00 0.00 0.91 0.00 0.00 68 R 8.71 5.02 0.00 1.82 1.77 0.00 3.25 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.75 0.00 69 V 8.60 4.62 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 0.73 0.00 0.00 1.00 0.00 0.00 70 E 8.50 5.19 0.00 1.92 1.77 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 2.19 2.33 0.00 71 E 9.26 4.87 0.00 2.00 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 2.22 2.39 0.00 72 E 8.35 5.21 0.00 1.81 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 2.20 2.26 0.00 73 D 9.03 4.47 0.00 2.63 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 74 A 9.01 4.08 1.28 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 0.00 0.00 75 D 9.03 4.84 0.00 2.70 2.51 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 0.00 0.00 0.00 76 L 8.46 3.95 0.00 1.79 1.61 0.98 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 77 Y 8.14 4.12 0.00 2.94 2.68 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 78 A 8.26 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 79 A 7.88 4.01 1.44 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 0.00 0.00 80 I 7.92 3.71 2.15 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 1.57 0.89 1.00 0.00 0.00 81 D 8.45 4.38 0.00 2.98 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 82 R 8.15 3.88 0.00 2.04 1.95 0.00 3.51 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 83 A 8.24 3.98 1.41 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 84 V 7.99 3.58 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 1.06 0.00 0.00 0.98 0.00 0.00 85 D 8.29 4.38 0.00 2.91 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 86 R 8.13 3.94 0.00 2.01 1.98 0.00 3.21 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 87 L 8.07 4.01 0.00 1.86 1.71 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.20 3.92 0.00 2.27 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 2.39 2.59 0.00 89 T 7.47 3.76 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 1.19 0.00 0.00 90 Q 7.95 4.03 0.00 2.25 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.78 0.00 0.00 0.00 0.00 0.00 2.58 2.55 0.00 91 V 7.99 3.59 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 0.88 0.00 0.00 0.90 0.00 0.00 92 K 7.26 3.95 0.00 1.60 0.74 0.00 1.39 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.31 7.81 93 R 7.89 4.09 0.00 2.16 1.97 0.00 3.25 0.00 0.00 3.13 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 94 F 7.93 4.01 0.00 3.16 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 95 R 7.93 4.27 0.00 1.91 1.87 0.00 3.80 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 * Residues marked with a * may have inaccurate shift predictions.