NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 D 4.6335 8.3649 120.5298 54.5691 41.6319 174.9949 10 V 3.5787 7.6183 113.0681 62.0618 32.8224 174.9410 11 L 4.7336 7.6254 120.3227 53.2285 43.8029 175.2395 12 T 5.1878 8.2851 112.8953 60.0583 72.2918 173.4370 13 V 4.6066 8.7401 115.2865 59.5179 35.8443 175.2287 14 S 5.0316 8.6014 119.0110 58.7141 63.8015 173.8442 15 T 4.7610 9.0543 113.3362 60.1399 72.3239 173.4373 16 V 5.4177 8.1627 115.0110 59.1140 34.6401 175.0730 *20 D 4.4548 8.3477 117.0532 54.0635 42.3309 174.8214 21 Q 4.3610 7.8335 117.8924 54.9648 30.1598 174.2829 22 V 4.9894 8.0517 115.2433 60.1357 33.7163 175.0542 23 T 4.7477 9.1401 118.6251 60.4151 71.5216 172.2338 24 Q 5.0422 8.6094 124.0078 54.8067 30.1447 175.4831 25 K 4.8261 8.8637 122.1993 53.9309 36.3994 174.1817 26 P 4.7354 0.0000 0.0000 62.8809 31.9446 177.0697 27 L 3.9745 8.6923 122.3781 58.2482 41.8355 179.5333 28 R 3.9237 8.1034 115.6997 59.5856 29.0329 178.4191 29 D 4.3530 8.0923 119.4668 57.0961 40.7238 178.9113 30 S 4.1105 8.1711 116.0409 61.4104 62.8743 176.6396 31 V 3.5569 7.7411 120.4563 65.9043 31.2026 177.6592 32 K 3.9265 8.3143 119.5442 59.6218 32.0591 178.3279 33 Q 3.9566 8.1453 119.4784 59.2773 28.9022 178.2445 34 A 4.0479 8.1731 121.7003 55.2388 18.4395 179.6650 35 L 4.0518 8.2183 117.5704 57.5588 41.6648 179.5827 36 K 4.0811 8.4359 120.1083 59.7072 32.0509 178.5806 37 N 4.3726 8.3387 116.6815 56.3934 38.2367 176.7257 38 Y 4.0340 7.9721 119.8287 60.9270 39.1766 177.9879 39 F 4.0692 8.8425 118.7550 60.3090 38.7136 177.5416 40 A 4.0736 8.0528 120.1620 54.6634 18.3062 178.7555 41 Q 4.2306 7.4694 113.3366 56.6891 29.5001 177.1594 42 L 3.7093 7.4267 123.3247 56.5108 42.5955 176.3962 43 N 4.2778 9.1687 114.0520 54.2441 35.9812 175.3417 44 G 4.0041 8.2054 103.6501 45.6929 0.0000 174.0010 45 Q 4.1305 7.7788 117.5950 56.2990 29.1139 175.7679 46 D 4.8775 8.3391 119.3469 53.2887 42.3920 176.4926 47 V 4.6061 8.0791 120.5416 60.1767 34.2881 174.8684 48 N 5.1359 8.8278 117.1325 52.4384 38.6233 173.9846 49 D 4.8902 7.7029 118.7894 51.9413 40.0014 177.3314 50 L 3.8588 8.3160 123.4390 59.3913 42.1329 176.7452 51 Y 3.9747 8.0242 119.1092 60.7082 38.7383 177.5186 52 E 3.9034 8.2890 119.6934 59.1241 29.6069 178.2934 53 L 3.8361 7.7708 120.2698 58.2318 42.1795 179.2495 54 V 3.4144 7.5297 118.1460 65.5701 31.4306 177.6454 55 L 3.6585 7.9145 120.3341 58.1371 41.6428 178.8487 56 A 4.2919 8.1174 122.1941 54.6451 18.0657 179.2313 57 E 3.7589 7.7235 117.0376 58.7822 29.8017 178.5524 58 V 4.0438 7.4207 111.5043 62.6982 32.5543 178.1397 59 E 3.9365 8.4912 118.9336 59.1848 29.1632 179.2367 60 Q 3.6134 7.2622 118.0799 58.3851 28.7143 177.2455 61 P 4.1729 0.0000 0.0000 65.5547 31.2812 178.1287 62 L 3.8758 7.6102 120.1177 57.9277 41.9924 178.9328 63 L 3.9618 8.2398 119.2913 57.7657 41.5902 178.7459 64 D 4.3393 8.2882 118.2119 57.9409 41.0599 178.4561 65 M 4.0954 8.3003 119.1942 58.3800 31.9777 179.0356 66 V 3.6299 8.0253 118.5141 66.2897 31.7320 178.0535 67 M 4.1381 8.3413 118.6300 58.3947 31.7484 178.7939 68 Q 4.0232 8.2934 118.3291 59.1876 28.7345 178.1684 69 Y 4.1103 8.3421 119.4466 59.5420 39.0514 176.8094 70 T 4.4567 7.8102 109.2961 60.3024 69.1789 174.1868 71 L 3.4940 8.4478 119.0406 56.3790 39.6656 175.4583 72 G 3.7701 8.6791 103.7534 46.4850 0.0000 174.7596 73 N 4.5589 7.9376 119.0263 52.5265 38.9966 175.4157 74 Q 4.0508 8.5871 128.4877 59.2954 29.0596 178.9007 75 T 3.8851 7.9142 116.2077 66.8286 68.5542 176.8192 76 R 4.0095 8.5391 119.7303 58.8225 30.0559 178.9301 77 A 3.9929 8.5005 120.9979 55.2539 18.4368 179.6097 78 A 4.0016 8.4204 119.6795 55.1401 18.1629 179.9483 79 L 3.9340 7.6529 116.5372 58.1614 41.8094 178.9593 80 M 4.1701 8.0050 117.0677 58.9678 32.2540 177.8461 81 M 4.2763 8.0227 117.6892 55.7769 32.3133 176.7013 82 G 3.8492 8.0726 106.8421 46.4603 0.0000 173.0669 83 I 4.6748 7.5240 110.7547 57.7732 41.0412 174.8430 84 N 4.7399 8.2922 118.7808 52.2811 39.8400 176.3246 85 R 4.0591 8.5022 120.1649 59.1650 30.1475 179.4966 86 G 3.6586 8.0735 105.2640 48.1072 0.0000 175.7130 87 T 3.8744 7.8129 117.7615 66.1404 68.5248 176.1617 88 L 3.9579 7.9682 122.1987 58.4891 42.0647 179.2833 89 R 3.9093 8.5331 118.0939 59.0613 29.9269 178.9487 90 K 3.8879 8.1375 119.3777 59.4794 32.3307 179.0751 91 K 3.8529 8.0971 118.6986 59.2975 32.0064 179.2953 92 L 4.0818 8.1309 119.4204 57.8381 41.6099 179.5810 93 K 4.3980 8.1405 120.8375 58.8418 31.8929 178.5672 94 K 3.7573 7.8582 119.0798 59.2536 32.1504 177.3244 95 Y 4.7987 7.6094 114.5749 56.7829 37.7971 175.9902 96 G 4.2373 7.8437 107.3697 47.1976 0.0000 174.7801 97 M 4.4393 8.5935 118.3962 54.7134 33.0663 176.3176 98 N 4.5423 7.9490 122.1846 52.9792 37.8577 174.8882 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 9 D 8.36 4.63 0.00 2.66 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 10 V 7.62 3.58 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 0.66 0.00 0.00 0.91 0.00 0.00 11 L 7.63 4.73 0.00 1.56 1.58 0.90 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.29 5.19 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 1.23 0.00 0.00 13 V 8.74 4.61 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 0.70 0.00 0.00 0.99 0.00 0.00 14 S 8.60 5.03 0.00 3.75 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 15 T 9.05 4.76 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 16 V 8.16 5.42 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 0.68 0.00 0.00 0.93 0.00 0.00 *20 D 8.35 4.45 0.00 2.64 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 21 Q 7.83 4.36 0.00 2.09 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.66 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 22 V 8.05 4.99 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 0.73 0.00 0.00 0.93 0.00 0.00 23 T 9.14 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 24 Q 8.61 5.04 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.51 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 25 K 8.86 4.83 0.00 1.77 1.85 0.00 1.32 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.35 7.81 26 P 0.00 4.74 0.00 2.23 2.23 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 1.96 0.00 27 L 8.69 3.97 0.00 1.77 1.69 0.90 0.76 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 28 R 8.10 3.92 0.00 2.08 2.20 0.00 3.02 0.00 0.00 3.34 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 29 D 8.09 4.35 0.00 2.94 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 30 S 8.17 4.11 0.00 4.00 3.89 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 31 V 7.74 3.56 2.24 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 1.03 0.00 0.00 0.95 0.00 0.00 32 K 8.31 3.93 0.00 1.94 1.95 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.49 7.81 33 Q 8.15 3.96 0.00 2.28 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 34 A 8.17 4.05 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.22 4.05 0.00 2.00 2.09 1.02 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.44 4.08 0.00 1.88 2.10 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.15 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.54 7.81 37 N 8.34 4.37 0.00 3.05 2.89 0.00 0.00 6.71 6.79 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 38 Y 7.97 4.03 0.00 2.83 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 39 F 8.84 4.07 0.00 3.18 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 40 A 8.05 4.07 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 41 Q 7.47 4.23 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.90 0.00 0.00 0.00 0.00 0.00 2.26 2.59 0.00 42 L 7.43 3.71 0.00 1.69 1.66 0.40 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 43 N 9.17 4.28 0.00 2.80 2.80 0.00 0.00 6.91 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 44 G 8.21 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 45 Q 7.78 4.13 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.72 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 46 D 8.34 4.88 0.00 2.70 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 47 V 8.08 4.61 2.18 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 0.89 0.00 0.00 1.07 0.00 0.00 48 N 8.83 5.14 0.00 2.82 2.91 0.00 0.00 5.86 8.06 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 49 D 7.70 4.89 0.00 2.81 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 50 L 8.32 3.86 0.00 1.81 1.77 0.38 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 8.02 3.97 0.00 3.13 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 52 E 8.29 3.90 0.00 2.18 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 0.00 2.40 2.45 0.00 53 L 7.77 3.84 0.00 1.71 1.63 0.84 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.53 3.41 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 0.80 0.00 0.00 0.75 0.00 0.00 55 L 7.91 3.66 0.00 1.41 1.66 0.86 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.12 4.29 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.72 3.76 0.00 1.92 2.04 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 2.24 2.31 0.00 58 V 7.42 4.04 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 0.87 0.00 0.00 0.92 0.00 0.00 59 E 8.49 3.94 0.00 1.94 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 0.00 2.35 2.48 0.00 60 Q 7.26 3.61 0.00 1.85 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.80 0.00 0.00 0.00 0.00 0.00 1.43 1.16 0.00 61 P 0.00 4.17 0.00 2.20 2.24 0.00 3.45 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 2.14 2.04 0.00 62 L 7.61 3.88 0.00 1.73 1.91 0.89 0.80 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 63 L 8.24 3.96 0.00 1.87 1.73 1.11 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.29 4.34 0.00 2.77 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 65 M 8.30 4.10 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.79 0.00 66 V 8.03 3.63 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 1.07 0.00 0.00 0.99 0.00 0.00 67 M 8.34 4.14 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.88 0.00 68 Q 8.29 4.02 0.00 2.33 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.63 0.00 69 Y 8.34 4.11 0.00 3.09 3.01 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 70 T 7.81 4.46 4.27 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 1.36 0.00 0.00 71 L 8.45 3.49 0.00 1.78 1.76 0.87 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.68 3.77 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 0.00 0.00 0.00 73 N 7.94 4.56 0.00 2.85 2.80 0.00 0.00 7.22 7.00 0.00 0.00 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 Q 8.59 4.05 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.68 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 75 T 7.91 3.89 4.39 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 1.22 0.00 0.00 76 R 8.54 4.01 0.00 1.89 2.00 0.00 3.14 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 77 A 8.50 3.99 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 78 A 8.42 4.00 1.42 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 0.00 0.00 79 L 7.65 3.93 0.00 1.84 1.75 0.93 0.69 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 80 M 8.01 4.17 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.57 0.00 81 M 8.02 4.28 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.55 0.00 82 G 8.07 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 83 I 7.52 4.67 1.89 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 1.49 0.79 0.93 0.00 0.00 84 N 8.29 4.74 0.00 2.98 2.99 0.00 0.00 5.94 7.66 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 85 R 8.50 4.06 0.00 1.88 2.03 0.00 3.14 0.00 0.00 3.35 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 86 G 8.07 3.66 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 0.00 87 T 7.81 3.87 4.42 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 1.23 0.00 0.00 88 L 7.97 3.96 0.00 1.78 1.86 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 89 R 8.53 3.91 0.00 2.05 1.96 0.00 3.26 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 90 K 8.14 3.89 0.00 1.82 1.96 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.44 7.81 91 K 8.10 3.85 0.00 2.06 1.99 0.00 1.79 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.68 7.81 92 L 8.13 4.08 0.00 1.86 1.75 0.94 0.84 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 93 K 8.14 4.40 0.00 1.81 1.98 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.28 7.81 94 K 7.86 3.76 0.00 1.56 1.54 0.00 1.54 0.00 0.00 0.96 0.00 0.00 2.75 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.47 1.15 7.81 95 Y 7.61 4.80 0.00 3.11 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 96 G 7.84 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 97 M 8.59 4.44 0.00 1.99 2.26 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 2.84 2.49 0.00 98 N 7.95 4.54 0.00 2.87 2.93 0.00 0.00 6.31 7.56 0.00 0.00 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.