NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 P 4.4494 0.0000 0.0000 62.4711 33.6967 177.5608 5 I 3.6656 8.0107 118.4910 63.2441 37.2419 174.8085 6 L 4.8269 8.2550 119.4703 52.6556 42.1224 175.9253 7 K 3.9443 7.6854 119.8901 59.3381 32.9658 178.4104 8 D 4.8516 7.7588 118.7256 54.6909 41.9393 176.5274 9 V 4.3051 7.4373 118.7275 61.5172 33.6008 174.5999 10 V 4.9137 8.9209 127.5714 61.3214 33.9296 173.6800 11 A 5.1951 9.2836 130.8935 50.4623 21.7007 174.5913 12 Y 4.9087 8.9758 123.2595 55.7838 41.3296 174.3686 13 V 4.4241 7.9836 126.7549 61.3549 33.2411 175.2014 14 E 4.4894 9.2356 129.2110 53.8370 30.6820 172.2352 15 V 4.5672 8.7701 122.1171 60.5269 34.2845 173.9012 16 W 4.9638 8.9448 127.9638 54.0925 32.3768 175.6825 17 S 4.5680 8.6369 117.0460 58.3090 63.1681 175.7625 18 S 4.3592 9.1322 114.0786 60.0919 62.8794 174.6990 19 N 4.6582 8.1701 116.6399 51.9053 37.2406 174.8049 20 G 3.7686 8.1507 105.9542 47.0957 0.0000 174.9633 21 T 4.4895 7.8648 110.4824 60.9263 70.6834 174.2097 22 E 4.5438 8.1601 122.0620 54.2058 32.1908 174.1947 23 N 3.4509 7.9666 121.5516 52.0990 39.7246 173.9425 24 Y 4.9932 8.0409 123.5574 58.1580 38.7089 178.2347 25 S 4.2837 8.1460 120.1879 61.4630 62.5855 176.2098 26 K 3.8850 8.0911 121.9998 59.8818 30.2938 178.4250 27 T 3.6586 7.4968 114.5798 66.5383 68.3118 175.8493 28 F 4.5590 8.0336 117.8654 59.3669 39.5473 178.1855 29 T 3.9739 8.0052 115.7512 66.8509 68.1723 176.7386 30 T 3.9369 7.7266 117.9206 66.6131 68.2772 176.9592 31 Q 3.9983 7.3115 118.5171 58.9452 28.9860 178.5788 32 L 4.1670 8.0552 120.1461 57.5451 41.4256 179.6225 33 V 3.8234 7.4326 117.3724 65.8598 31.5912 179.1481 34 D 4.5734 7.8992 117.9604 54.0620 41.0517 177.6314 *36 G 3.8260 8.0574 106.5872 44.7028 0.0000 173.7845 37 A 4.3784 7.8442 121.6735 51.8216 19.4271 177.1046 38 K 4.4503 9.1864 121.7029 55.2479 34.2068 175.4498 39 V 4.8586 8.3559 126.1905 61.2754 33.4400 174.4190 40 S 4.7686 9.1827 123.0298 56.6697 63.3030 174.1277 41 K 4.2430 9.0087 127.9336 58.7184 32.3862 176.8619 42 T 4.6827 7.5832 106.3286 59.4655 71.3282 174.2857 43 F 4.1695 7.8121 125.7024 57.2401 37.8830 174.3732 44 N 4.9466 7.8890 123.7907 50.4435 40.0235 176.3695 45 K 4.1018 8.4671 116.2063 59.4957 32.1802 178.3296 46 Q 4.1904 8.1675 116.7226 57.2709 29.0426 176.5973 47 V 3.9779 7.6937 118.7215 63.0608 32.1746 175.3651 48 T 4.5662 8.9834 116.7037 62.3574 71.4683 173.9152 49 H 5.1633 8.0676 118.0958 53.7317 33.4314 172.4470 50 V 4.7010 8.6194 122.4172 61.1743 34.2420 174.2592 51 I 4.7067 8.4679 129.5674 60.1814 38.3182 174.4803 52 F 5.2727 8.8908 130.0605 56.1109 41.9027 174.5584 53 K 4.2113 8.4509 127.4179 55.2026 35.2378 175.6642 54 D 4.4364 8.4863 129.1096 55.3532 38.7029 173.4092 55 G 4.0255 6.2076 108.8131 44.1527 0.0000 172.9291 56 Y 4.2166 8.9453 117.6753 57.7241 38.6134 177.1454 57 Q 4.2470 9.0393 123.6010 59.1705 28.7810 179.3435 58 S 4.2327 8.3311 114.9542 61.7249 63.0321 176.6609 59 T 4.1839 8.2059 119.0459 66.2135 68.3165 176.3465 60 W 3.8149 8.4467 129.8371 60.6625 30.7117 177.6161 61 D 4.4359 8.5869 118.8575 57.2594 40.2766 178.6936 62 K 3.9358 8.2027 120.0384 59.1733 32.1700 178.8395 63 A 4.2205 8.2539 121.1721 55.3093 18.1229 179.6132 64 Q 3.6996 7.5657 115.1685 58.7823 28.8324 178.3939 65 K 3.9419 8.0764 119.7800 59.7616 32.1669 178.2794 66 R 4.2767 8.1932 115.8513 55.6011 29.9953 177.6944 67 G 4.1882 7.6180 106.3713 46.1417 0.0000 174.5029 68 V 3.8029 6.9773 111.8285 60.7673 32.5637 176.2318 69 K 3.9431 8.3436 123.1607 56.3401 33.2544 176.1177 70 L 4.7589 8.2287 125.5460 53.4024 43.2086 175.9382 71 V 4.8858 8.4382 117.5524 59.1612 35.9706 175.9469 72 S 4.7372 8.6337 117.9777 57.8319 64.4463 175.7249 73 V 3.5029 8.3367 113.2126 64.2408 31.0425 178.5201 74 L 3.9168 7.5514 119.6935 57.6129 41.7871 178.8518 75 W 4.1947 8.0478 128.2526 60.3334 30.6795 178.1939 76 V 3.3673 8.0359 117.8755 65.5025 31.1329 177.5648 77 E 3.9141 7.8968 118.9977 59.0669 29.6001 178.6274 78 K 4.3013 8.1425 119.3534 57.8959 31.8997 179.2696 79 C 3.9919 7.5682 119.1264 62.1818 27.9325 175.5192 80 R 3.6981 7.5516 119.0244 60.1022 29.5761 178.0281 81 T 4.0348 7.8530 109.0126 64.3519 68.9641 176.3598 82 A 4.1975 8.1051 124.3355 51.7325 18.4850 177.2714 83 G 4.0265 7.6919 104.2221 45.6757 0.0000 172.9961 84 A 4.6744 7.2212 120.0219 49.9844 21.7583 176.4530 85 H 4.6792 8.5567 120.6898 55.1775 28.6591 174.8334 86 I 4.0790 7.7778 126.2641 60.0544 38.2939 175.8049 87 D 4.4943 8.8592 122.7998 55.1712 41.5786 177.4391 88 E 4.0221 9.0989 126.3613 59.3288 29.3213 179.1191 89 S 4.1462 8.3444 113.1807 61.4973 62.7128 176.0465 90 L 4.1340 7.6246 120.5782 55.4861 43.2256 176.9691 91 F 5.3266 8.0265 117.2974 55.1382 39.3262 172.2560 92 P 4.9033 0.0000 0.0000 62.3626 32.5147 177.9233 93 A 4.5306 8.5459 123.6149 52.2864 19.1680 176.5428 94 A 4.9431 8.7903 120.3368 50.0913 22.3721 176.3507 95 N 4.2347 8.1229 116.2715 53.5648 39.1470 174.2721 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 4 P 0.00 4.45 0.00 2.06 2.19 0.00 3.66 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 1.93 2.12 0.00 5 I 8.01 3.67 1.84 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 1.40 0.56 0.91 0.00 0.00 6 L 8.26 4.83 0.00 1.65 1.57 0.82 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 7 K 7.69 3.94 0.00 1.78 1.84 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.76 1.54 7.81 8 D 7.76 4.85 0.00 2.72 2.72 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 9 V 7.44 4.31 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 0.85 0.00 0.00 0.95 0.00 0.00 10 V 8.92 4.91 2.27 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 1.07 0.00 0.00 1.00 0.00 0.00 11 A 9.28 5.20 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 12 Y 8.98 4.91 0.00 2.92 2.56 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 0.00 0.00 0.00 0.00 13 V 7.98 4.42 1.98 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 0.83 0.00 0.00 0.94 0.00 0.00 14 E 9.24 4.49 0.00 1.85 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 2.49 2.69 0.00 15 V 8.77 4.57 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 0.92 0.00 0.00 0.59 0.00 0.00 16 W 8.94 4.96 0.00 3.10 2.93 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 17 S 8.64 4.57 0.00 3.90 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.13 4.36 0.00 4.01 4.08 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 19 N 8.17 4.66 0.00 2.79 2.92 0.00 0.00 6.02 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 20 G 8.15 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 21 T 7.86 4.49 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 1.29 0.00 0.00 22 E 8.16 4.54 0.00 1.53 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 2.20 2.18 0.00 23 N 7.97 3.45 0.00 1.44 2.00 0.00 0.00 6.71 7.14 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 24 Y 8.04 4.99 0.00 3.08 2.83 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 25 S 8.15 4.28 0.00 3.76 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 26 K 8.09 3.89 0.00 1.83 1.79 0.00 1.62 0.00 0.00 1.80 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.57 7.81 27 T 7.50 3.66 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 0.61 0.00 0.00 28 F 8.03 4.56 0.00 3.14 3.13 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 29 T 8.01 3.97 4.38 0.00 0.00 0.00 0.00 0.00 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 30 T 7.73 3.94 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 1.17 0.00 0.00 31 Q 7.31 4.00 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.89 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 32 L 8.06 4.17 0.00 1.76 1.77 1.03 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.43 3.82 2.25 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 0.83 0.00 0.00 1.04 0.00 0.00 34 D 7.90 4.57 0.00 2.88 2.66 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 *36 G 8.06 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 0.00 0.00 0.00 37 A 7.84 4.38 1.33 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 0.00 0.00 38 K 9.19 4.45 0.00 1.83 1.81 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.41 7.81 39 V 8.36 4.86 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 0.91 0.00 0.00 1.02 0.00 0.00 40 S 9.18 4.77 0.00 3.95 3.90 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.01 4.24 0.00 1.82 1.89 0.00 1.82 0.00 0.00 1.80 0.00 0.00 3.12 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.50 7.81 42 T 7.58 4.68 4.21 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 1.25 0.00 0.00 43 F 7.81 4.17 0.00 1.73 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 44 N 7.89 4.95 0.00 2.98 2.96 0.00 0.00 6.17 6.46 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 45 K 8.47 4.10 0.00 1.77 1.92 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.38 7.81 46 Q 8.17 4.19 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.83 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 47 V 7.69 3.98 2.45 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 0.71 0.00 0.00 1.08 0.00 0.00 48 T 8.98 4.57 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 1.31 0.00 0.00 49 H 8.07 5.16 0.00 3.04 3.01 0.00 5.75 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.62 4.70 1.93 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 1.16 0.00 0.00 0.37 0.00 0.00 51 I 8.47 4.71 1.84 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.42 0.79 0.00 0.00 52 F 8.89 5.27 0.00 3.08 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 53 K 8.45 4.21 0.00 1.70 1.46 0.00 1.81 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.28 1.39 7.81 54 D 8.49 4.44 0.00 2.97 2.67 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 55 G 6.21 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 0.00 0.00 0.00 56 Y 8.95 4.22 0.00 3.25 2.99 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 0.00 0.00 0.00 57 Q 9.04 4.25 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.88 0.00 0.00 0.00 0.00 0.00 2.48 2.37 0.00 58 S 8.33 4.23 0.00 4.08 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 59 T 8.21 4.18 5.04 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 1.72 0.00 0.00 60 W 8.45 3.81 0.00 3.03 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 61 D 8.59 4.44 0.00 2.80 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 62 K 8.20 3.94 0.00 1.68 1.70 0.00 1.11 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.76 1.10 7.81 63 A 8.25 4.22 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 64 Q 7.57 3.70 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.61 0.00 0.00 0.00 0.00 0.00 1.92 1.79 0.00 65 K 8.08 3.94 0.00 1.79 1.99 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.47 7.81 66 R 8.19 4.28 0.00 2.03 1.94 0.00 3.13 0.00 0.00 3.01 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 67 G 7.62 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 0.00 0.00 0.00 68 V 6.98 3.80 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 0.81 0.00 0.00 0.86 0.00 0.00 69 K 8.34 3.94 0.00 1.26 1.44 0.00 1.54 0.00 0.00 1.50 0.00 0.00 2.72 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.18 1.22 7.81 70 L 8.23 4.76 0.00 1.14 1.22 -0.52 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.44 4.89 1.67 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 0.08 0.00 0.00 0.40 0.00 0.00 72 S 8.63 4.74 0.00 4.01 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 73 V 8.34 3.50 1.47 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 0.31 0.00 0.00 0.88 0.00 0.00 74 L 7.55 3.92 0.00 1.78 1.51 0.70 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 75 W 8.05 4.19 0.00 3.65 3.48 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 0.00 76 V 8.04 3.37 2.44 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 1.07 0.00 0.00 1.25 0.00 0.00 77 E 7.90 3.91 0.00 2.07 1.98 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 2.19 2.28 0.00 78 K 8.14 4.30 0.00 1.77 2.01 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.10 1.48 7.81 79 C 7.57 3.99 0.00 2.69 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.55 3.70 0.00 1.94 2.05 0.00 3.20 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 81 T 7.85 4.03 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 1.26 0.00 0.00 82 A 8.11 4.20 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 83 G 7.69 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 0.00 0.00 0.00 84 A 7.22 4.67 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.56 4.68 0.00 3.39 3.27 0.00 5.75 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 I 7.78 4.08 1.89 0.00 0.00 0.90 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 0.81 1.04 0.00 0.00 87 D 8.86 4.49 0.00 2.71 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 E 9.10 4.02 0.00 2.02 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 2.05 2.10 0.00 89 S 8.34 4.15 0.00 3.99 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 90 L 7.62 4.13 0.00 1.44 1.20 0.83 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 91 F 8.03 5.33 0.00 3.40 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 92 P 0.00 4.90 0.00 2.16 2.08 0.00 3.94 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00 93 A 8.55 4.53 1.59 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 0.00 0.00 94 A 8.79 4.94 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 95 N 8.12 4.23 0.00 1.44 1.63 0.00 0.00 6.70 5.37 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 * Residues marked with a * may have inaccurate shift predictions.