NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 A 4.2250 8.1114 123.5922 52.2768 20.4081 177.4362 -1 G 4.1833 8.4308 105.5949 48.0228 0.0000 174.7968 0 H 4.5402 8.8813 121.6482 58.8860 29.6120 176.0117 1 M 3.9010 8.1503 120.1143 58.0296 31.7595 178.3926 2 K 3.8901 8.1059 119.4039 59.4986 32.3613 178.2891 3 E 3.9563 7.7908 118.6030 59.3723 29.6880 178.4417 4 I 3.7047 8.0319 120.3840 64.6242 37.1110 178.2661 5 K 3.9923 8.0628 120.0314 59.3894 32.0299 178.7927 6 E 3.9555 8.2339 118.9048 59.5289 29.2663 179.1619 7 I 3.7432 7.9074 119.8266 64.7902 37.1285 178.6761 8 T 4.3946 8.1015 116.2456 66.9443 68.2292 177.1465 9 K 4.2711 8.1568 118.6657 58.8140 32.0634 179.1102 10 K 4.0925 7.8700 119.8268 59.0609 32.1499 177.9445 11 D 4.7970 7.7665 117.1917 55.4647 42.2044 176.7710 12 V 4.0781 8.1561 124.2302 60.3353 32.0330 175.2519 13 Q 4.0441 8.5858 128.5846 58.6687 29.0668 176.8312 14 D 4.5808 7.7963 113.8944 53.1215 39.9815 176.1240 15 A 4.3161 7.5895 122.3248 52.3883 19.1252 177.0492 16 E 4.5703 8.8572 119.7384 54.4596 32.9510 175.1550 17 I 4.7569 7.6986 122.7434 59.6348 40.6299 173.9966 18 Y 5.2259 8.7867 124.0184 56.1441 41.5934 174.4108 19 L 5.3678 9.4421 123.4951 53.6536 44.3497 175.2240 20 Y 4.8500 8.7024 121.5878 57.5441 41.7221 173.6776 21 G 3.8225 9.6411 106.2565 45.0867 0.0000 173.7685 22 S 4.5507 8.7385 112.0839 60.9125 62.9625 177.0890 23 V 3.6400 7.3807 119.0863 65.0782 31.4668 177.3446 24 V 3.7980 7.7912 117.7957 65.6479 31.5607 176.5364 25 E 4.1840 8.3117 117.9639 56.7622 29.8046 177.3779 26 G 3.7966 8.2197 107.2125 45.0059 0.0000 173.1045 27 D 4.3538 8.2658 118.9580 53.9875 40.1099 177.5271 28 Y 3.9599 5.3700 123.4222 60.2378 38.5543 177.0574 29 S 4.8157 7.6751 112.1357 58.4022 63.2251 174.3397 30 I 4.5220 7.6637 119.2570 60.5973 38.0648 176.2733 31 G 4.1386 8.5254 106.1402 46.3369 0.0000 174.6421 32 L 4.1543 7.1231 118.6833 54.0119 42.3655 177.2374 33 S 4.1704 8.4006 115.4907 58.8570 63.2676 174.4516 34 D 4.6140 8.8481 125.0236 56.5089 41.5683 176.3696 35 I 4.7809 7.4101 119.4978 59.5515 40.3991 174.1583 36 D 4.7576 8.7578 128.1245 53.3549 42.5486 176.0065 37 V 4.4746 8.6631 122.3725 61.1582 34.2969 173.8580 38 A 5.1378 9.2494 131.4398 50.7055 20.8530 175.4755 39 I 4.7803 9.0132 124.4609 59.5890 39.9719 174.9767 40 V 5.0510 8.5536 127.5715 61.2832 34.4384 174.2243 41 S 4.8855 9.1127 120.2635 56.5205 66.0966 175.3210 42 D 4.6336 8.7107 124.2309 55.6426 40.9188 178.6484 43 V 3.5092 7.5903 119.9256 65.8296 31.1151 176.8885 44 F 4.8979 7.4282 114.3787 58.1799 38.8643 176.8392 45 E 4.3421 8.1501 119.5643 57.6627 29.4678 176.7318 46 D 4.6626 7.7913 118.6005 52.8405 41.8715 176.4242 47 R 3.9710 8.6901 128.2283 59.8642 30.0195 177.8993 48 N 4.3856 8.7851 116.4851 56.1159 38.4842 177.4094 49 R 4.0465 8.1878 119.8783 59.1962 30.2422 178.2823 50 K 3.9971 8.2861 119.6083 59.3708 32.1437 178.6172 51 L 3.9757 8.2553 120.7796 58.0758 42.0835 178.1717 52 E 3.9597 8.2921 119.3405 59.5499 29.4499 178.7655 53 F 4.1097 8.5414 120.3232 61.2404 39.5622 176.7261 54 F 4.0995 8.7938 120.9081 61.2573 39.1619 177.2991 55 G 3.5481 8.4351 105.3838 47.5534 0.0000 175.3236 56 K 3.6516 7.7598 122.4235 59.3246 32.2365 178.6971 57 I 3.3469 7.2798 119.1977 63.9400 37.5249 177.9412 58 T 3.8150 7.0314 109.8782 64.3655 68.6554 176.3007 59 K 3.9590 7.5198 121.7497 59.1177 32.2558 178.3736 60 K 3.7715 7.5263 118.5423 58.2133 32.6275 177.4786 61 F 5.0372 7.4825 116.9874 56.1303 39.4009 175.9991 62 F 4.3332 8.3598 122.0263 60.1053 39.9422 173.8300 63 D 4.0256 8.3066 126.6953 55.3861 39.2752 172.3631 64 S 4.7752 7.7341 110.6979 55.4233 65.7181 171.9857 65 P 4.2823 0.0000 0.0000 64.4595 31.9755 176.2320 66 F 4.4408 7.3089 120.1794 57.2314 39.6957 174.4288 67 E 4.4972 8.8299 124.5892 54.4408 31.6764 174.5241 68 F 5.1793 8.8063 125.6250 56.5850 41.2045 175.2223 69 H 4.9236 9.4320 119.1598 54.3500 32.3232 172.5341 70 I 4.7306 8.5977 125.0421 59.7284 38.2126 175.2697 71 L 5.2796 8.9097 127.3722 52.8584 46.2546 177.1225 72 T 4.9824 9.0116 112.6493 60.9524 70.1252 175.8819 73 K 4.1119 9.4211 121.3764 59.5596 31.9053 179.5547 74 K 3.9202 8.1261 119.3528 59.6393 32.0493 178.4868 75 E 4.0343 8.1953 118.3620 59.0963 29.4034 179.1632 76 W 4.3167 8.4492 128.4362 60.2438 30.5515 177.5624 77 K 3.4287 7.8848 118.6304 59.8417 31.8622 177.7923 78 M 4.0547 7.9616 117.8823 58.8492 32.0966 178.1939 79 S 4.1921 8.1154 115.3406 61.7023 63.0995 176.8904 80 K 3.2483 7.2559 120.7696 59.1004 31.3511 179.2822 81 R 3.6483 7.1640 117.0393 58.0311 29.7914 177.3137 82 F 4.8077 7.6815 114.8754 56.7712 39.7029 174.6891 83 I 4.4594 7.0839 121.7919 59.2008 39.0243 175.7610 84 R 4.0063 8.7550 126.0987 58.9217 30.1829 176.8080 85 K 4.4294 7.5420 115.6643 55.3139 34.9917 173.4362 86 Y 5.3785 7.8167 122.7679 55.4374 42.0651 174.1066 87 R 4.7803 9.2823 119.5925 54.2491 33.3139 174.3283 88 R 4.3216 9.0734 127.2380 56.4845 30.9110 175.7320 89 L 4.1521 9.0330 132.6195 54.8018 42.0525 176.9665 *90 D 4.4273 8.4482 124.2268 53.3401 40.5021 172.8733 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 A 8.11 4.23 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 -1 G 8.43 4.18 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 0.00 0 H 8.88 4.54 0.00 3.56 3.55 0.00 5.65 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.15 3.90 0.00 2.05 2.15 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 2.53 2.56 0.00 2 K 8.11 3.89 0.00 1.85 2.05 0.00 1.75 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.53 7.81 3 E 7.79 3.96 0.00 2.50 2.41 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 2.36 2.41 0.00 4 I 8.03 3.70 1.80 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.04 0.90 0.00 0.00 5 K 8.06 3.99 0.00 1.87 1.95 0.00 1.48 0.00 0.00 1.61 0.00 0.00 3.13 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.52 7.81 6 E 8.23 3.96 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.51 0.00 7 I 7.91 3.74 1.94 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 0.77 0.82 0.00 0.00 8 T 8.10 4.39 4.50 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 1.22 0.00 0.00 9 K 8.16 4.27 0.00 1.82 1.87 0.00 1.84 0.00 0.00 1.60 0.00 0.00 3.26 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.59 1.57 7.81 10 K 7.87 4.09 0.00 1.95 2.03 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.46 7.81 11 D 7.77 4.80 0.00 2.92 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 12 V 8.16 4.08 1.74 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 0.53 0.00 0.00 0.47 0.00 0.00 13 Q 8.59 4.04 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.87 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 14 D 7.80 4.58 0.00 2.75 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 15 A 7.59 4.32 1.15 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 0.00 0.00 0.00 0.00 0.00 16 E 8.86 4.57 0.00 1.78 1.32 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 2.16 2.39 0.00 17 I 7.70 4.76 1.73 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 1.33 0.94 0.86 0.00 0.00 18 Y 8.79 5.23 0.00 2.32 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 19 L 9.44 5.37 0.00 1.67 1.65 0.97 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 8.70 4.85 0.00 3.31 3.28 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 21 G 9.64 3.82 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 0.00 0.00 0.00 22 S 8.74 4.55 0.00 3.57 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 23 V 7.38 3.64 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 1.04 0.00 0.00 1.04 0.00 0.00 24 V 7.79 3.80 2.20 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 1.07 0.00 0.00 1.02 0.00 0.00 25 E 8.31 4.18 0.00 2.03 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 0.00 2.53 2.48 0.00 26 G 8.22 3.80 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 0.00 0.00 0.00 27 D 8.27 4.35 0.00 2.66 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 5.37 3.96 0.00 3.18 3.19 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 29 S 7.68 4.82 0.00 3.89 3.87 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 0.00 0.00 0.00 30 I 7.66 4.52 2.70 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 1.24 0.87 0.92 0.00 0.00 31 G 8.53 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.12 4.15 0.00 1.70 1.62 1.02 0.82 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 33 S 8.40 4.17 0.00 4.02 4.01 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 34 D 8.85 4.61 0.00 2.66 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.41 4.78 1.78 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.67 1.00 0.00 0.00 36 D 8.76 4.76 0.00 1.58 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 0.00 0.00 0.00 0.00 37 V 8.66 4.47 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 1.05 0.00 0.00 0.57 0.00 0.00 38 A 9.25 5.14 1.15 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 0.00 0.00 0.00 0.00 0.00 39 I 9.01 4.78 2.02 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.01 0.95 0.00 0.00 40 V 8.55 5.05 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 1.07 0.00 0.00 0.57 0.00 0.00 41 S 9.11 4.89 0.00 3.68 2.95 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 42 D 8.71 4.63 0.00 2.71 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 43 V 7.59 3.51 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 0.79 0.00 0.00 0.73 0.00 0.00 44 F 7.43 4.90 0.00 3.26 2.95 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 45 E 8.15 4.34 0.00 2.08 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 2.39 2.41 0.00 46 D 7.79 4.66 0.00 2.76 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 47 R 8.69 3.97 0.00 1.94 1.96 0.00 3.24 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 1.72 1.75 0.00 48 N 8.79 4.39 0.00 2.97 2.89 0.00 0.00 6.59 8.42 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 49 R 8.19 4.05 0.00 2.00 2.24 0.00 3.33 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.92 0.00 50 K 8.29 4.00 0.00 2.00 1.95 0.00 1.67 0.00 0.00 1.50 0.00 0.00 2.91 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.29 1.21 7.81 51 L 8.26 3.98 0.00 1.82 1.90 0.98 1.05 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 52 E 8.29 3.96 0.00 2.26 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 0.00 2.38 2.56 0.00 53 F 8.54 4.11 0.00 3.50 3.20 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 54 F 8.79 4.10 0.00 3.15 3.05 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 0.00 0.00 0.00 55 G 8.44 3.55 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 56 K 7.76 3.65 0.00 1.89 1.48 0.00 1.49 0.00 0.00 1.51 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.29 1.37 7.81 57 I 7.28 3.35 0.81 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 0.84 -0.05 0.00 0.00 58 T 7.03 3.81 4.06 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 0.00 0.00 0.00 0.47 0.00 0.00 59 K 7.52 3.96 0.00 1.67 1.84 0.00 1.70 0.00 0.00 1.50 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.29 7.81 60 K 7.53 3.77 0.00 1.53 1.48 0.00 1.31 0.00 0.00 1.40 0.00 0.00 2.86 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.83 0.21 7.81 61 F 7.48 5.04 0.00 3.52 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 8.36 4.33 0.00 2.83 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 63 D 8.31 4.03 0.00 1.58 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 0.00 0.00 0.00 64 S 7.73 4.78 0.00 4.12 4.19 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 65 P 0.00 4.28 0.00 1.72 2.09 0.00 3.39 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.59 0.00 66 F 7.31 4.44 0.00 2.48 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 0.00 0.00 0.00 67 E 8.83 4.50 0.00 1.93 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 2.03 2.24 0.00 68 F 8.81 5.18 0.00 3.07 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 69 H 9.43 4.92 0.00 3.29 3.35 0.00 5.79 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 I 8.60 4.73 1.68 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.07 -0.34 0.00 0.00 71 L 8.91 5.28 0.00 1.68 1.68 1.27 0.83 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 72 T 9.01 4.98 4.48 0.00 0.00 0.00 0.00 0.00 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 73 K 9.42 4.11 0.00 1.99 1.99 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.57 1.52 7.81 74 K 8.13 3.92 0.00 1.85 1.85 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.55 7.81 75 E 8.20 4.03 0.00 2.44 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 0.00 2.39 2.38 0.00 76 W 8.45 4.32 0.00 3.36 3.18 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 77 K 7.88 3.43 0.00 1.81 1.95 0.00 1.82 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.34 7.81 78 M 7.96 4.05 0.00 2.27 2.04 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.72 0.00 79 S 8.12 4.19 0.00 3.85 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 80 K 7.26 3.25 0.00 1.34 1.40 0.00 1.27 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.30 0.21 7.81 81 R 7.16 3.65 0.00 0.85 1.15 0.00 2.95 0.00 0.00 2.97 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.68 0.00 82 F 7.68 4.81 0.00 3.05 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 83 I 7.08 4.46 1.60 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.49 0.85 0.00 0.00 84 R 8.76 4.01 0.00 1.81 2.15 0.00 3.29 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 85 K 7.54 4.43 0.00 1.70 1.64 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.34 7.81 86 Y 7.82 5.38 0.00 3.41 3.05 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 0.00 0.00 0.00 87 R 9.28 4.78 0.00 2.00 1.91 0.00 3.20 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 88 R 9.07 4.32 0.00 2.10 1.89 0.00 3.20 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.03 0.00 89 L 9.03 4.15 0.00 1.62 1.66 0.92 0.91 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 *90 D 8.45 4.43 0.00 2.48 2.46 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 * Residues marked with a * may have inaccurate shift predictions.