NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.1194 8.1127 120.8602 56.7290 30.1689 174.7660 3 V 3.1019 8.4251 122.8919 61.5766 30.3727 171.2844 4 K 4.4415 8.6745 117.8756 56.9420 34.5058 175.9411 5 M 3.9476 7.7327 119.1500 56.5953 32.3376 175.1383 6 H 4.8667 8.9884 115.8095 55.3530 30.5984 174.6460 7 V 2.6429 6.5958 107.4346 61.3309 32.8630 176.2323 8 K 4.5484 7.5351 122.4272 54.9484 34.7572 176.3761 9 K 4.7994 7.8716 120.4785 55.3535 35.3844 176.5541 10 G 4.0959 8.5291 104.1769 46.4904 0.0000 172.0405 11 D 5.0117 7.2105 126.9262 53.7538 42.8233 179.2862 12 T 5.0863 9.5955 111.5611 60.3442 70.0106 172.0148 13 V 4.6622 8.9598 120.7650 60.2197 37.1363 173.1247 14 L 4.6747 8.8242 123.1496 55.4322 45.2719 176.3418 15 V 4.1752 8.3557 119.3146 61.4298 32.4660 176.1244 16 A 3.9903 9.7728 123.7465 51.3795 18.2234 180.4176 17 S 4.1621 8.2242 107.6280 60.3942 63.6376 175.4021 18 G 4.2582 9.3555 107.9937 45.2538 0.0000 174.7204 19 K 3.7668 9.7161 120.2009 59.6395 33.1746 176.1811 20 Y 4.2942 8.2261 114.6785 57.4441 38.1301 174.3537 21 K 3.7744 8.2422 122.2213 57.3620 32.0398 172.5053 22 G 3.8306 8.9370 123.3515 45.1124 0.0000 172.2110 23 R 4.8900 7.7836 130.5051 56.1446 32.9211 173.1908 24 V 4.4481 8.4449 126.4797 62.7471 33.0909 174.7056 25 G 4.1111 8.7797 112.1903 46.0232 0.0000 170.6423 26 K 5.1721 7.5998 119.4962 55.6330 34.7133 174.4279 27 V 3.3212 7.1574 115.4774 61.7671 30.8154 176.8050 28 K 4.4663 8.6364 124.9500 56.4614 33.1675 176.2045 29 E 3.7984 8.0699 117.5032 58.5436 27.2391 174.2148 30 V 3.5387 7.2627 115.7815 61.2270 33.1864 174.1615 31 L 4.1088 7.5926 124.5420 54.4710 41.6172 175.2934 32 P 4.9716 0.0000 0.0000 62.6826 32.5234 177.7023 33 K 3.9409 8.3375 120.7557 60.0155 32.0014 178.1898 34 K 4.1817 7.9899 115.9150 56.4234 32.9509 175.5617 35 Y 3.4177 7.8401 118.3394 59.0423 37.0959 167.6170 36 A 5.0406 7.4530 122.2545 49.7222 23.0770 174.9376 37 V 4.4875 7.8314 110.8739 61.1204 33.9352 174.6120 38 I 4.5168 8.0084 121.5268 62.2039 46.3739 177.6697 39 V 3.9752 7.5417 118.3743 63.5988 31.3886 174.0130 40 E 4.5778 9.0399 112.7897 56.2887 31.8750 174.4900 41 G 3.7338 7.8505 109.2195 43.9694 0.0000 171.0622 42 V 2.9336 5.7287 117.8823 61.9849 30.8546 172.6107 43 N 5.5553 8.4525 119.4677 52.5709 41.1036 175.3677 44 I 3.2978 6.9508 116.9783 59.9588 34.5886 174.9414 45 V 3.8962 8.2568 124.3621 63.1229 33.1510 176.7485 46 K 4.5450 7.8152 122.3456 55.7483 30.9597 179.4167 47 K 3.1688 8.6671 127.1327 58.7246 37.6154 176.5956 48 A 3.8019 6.5112 124.5356 53.8464 15.0859 177.1869 49 V 3.9853 7.7421 116.1861 62.1441 32.2144 176.8233 50 R 4.1304 7.7225 115.0942 56.2350 28.5879 176.3283 51 V 3.8731 7.8163 115.7909 63.2964 31.1877 174.6102 52 S 4.4618 8.6672 113.4829 56.7893 63.7584 168.2510 53 P 4.5426 0.0000 0.0000 62.1327 30.9917 175.7808 54 K 3.7280 9.0191 121.4845 57.2826 32.9146 174.7091 55 Y 3.4073 8.5628 126.6051 57.6123 39.3987 170.7209 56 P 4.2048 0.0000 0.0000 63.2612 34.2038 173.8424 57 Q 4.5604 8.5004 130.8230 56.9510 26.6480 176.5180 58 G 4.7464 8.6958 112.9818 47.3455 0.0000 171.2810 59 G 4.0341 7.7826 106.6889 43.2167 0.0000 173.3889 60 F 5.3953 8.6089 121.0412 57.5828 41.3664 177.3285 61 I 3.6772 8.1109 120.8428 63.9335 37.1110 176.6074 62 E 3.7526 8.2778 119.7093 55.7673 28.8826 172.2235 63 K 4.7209 7.7056 116.2561 54.8712 35.5932 175.5447 64 E 5.0356 8.9663 117.6876 56.8228 29.6742 176.5659 65 A 4.2619 8.1030 124.6240 51.4845 19.2114 179.2501 66 P 3.9598 0.0000 0.0000 63.6165 33.2885 170.8791 67 L 3.8008 7.8580 127.2227 54.1841 43.9373 173.7214 68 H 4.0259 8.8699 124.4716 56.6509 30.0301 175.5490 69 A 3.8087 8.5646 129.8745 54.6648 18.1620 178.2067 70 S 4.4527 8.4964 108.4761 59.4290 62.7807 174.6579 71 K 4.2162 8.1411 118.3625 57.9815 32.2272 176.6350 72 V 4.7081 7.4174 111.0100 59.5813 34.9029 175.1163 73 R 4.7917 8.7153 119.8929 53.6490 34.6372 173.6725 74 P 4.6714 0.0000 0.0000 63.3998 32.7287 174.7157 75 I 4.9332 7.7762 114.3343 61.4549 40.5681 172.6000 76 C 4.4211 9.0386 124.7416 59.9215 34.6466 172.2587 77 P 4.0204 0.0000 0.0000 62.6210 29.0346 171.9525 78 A 4.8095 6.6792 130.2529 51.6644 19.6598 177.7049 79 C 4.6633 8.2009 121.5792 61.7457 30.0931 175.3499 80 G 4.0267 8.6074 104.4969 46.1906 0.0000 170.3206 81 K 3.5933 8.0490 122.8358 54.5375 31.9748 173.8463 82 P 4.3900 0.0000 0.0000 62.9580 31.9113 175.8456 83 T 4.4206 8.0912 109.6525 61.1424 70.3562 174.2026 84 R 4.9344 8.3720 121.2406 54.7985 34.3912 173.9812 85 V 4.4612 8.2570 118.5959 62.1795 34.5660 174.9585 86 R 4.5937 8.8246 128.5087 54.2073 32.0660 176.0293 87 K 3.8319 8.8778 125.3118 59.1810 32.7811 178.5848 88 K 3.8428 8.0048 120.0253 54.2231 30.1418 177.0435 89 F 3.7829 8.4034 115.1406 57.5936 35.5883 174.7481 90 L 5.1377 7.5674 124.8200 55.3544 42.0771 173.3400 91 E 4.7883 7.2984 122.9081 56.0728 34.6273 176.6219 92 N 4.8140 8.7527 113.0060 52.6481 41.8456 173.5974 93 G 4.4023 8.6972 112.6732 44.3879 0.0000 171.1910 94 K 5.1654 8.5609 122.0981 54.8925 34.1852 176.0369 95 K 4.8890 8.4100 122.4470 53.0865 35.7766 177.8747 96 I 4.0809 8.3471 122.0377 61.0340 36.3637 179.8208 97 R 4.2561 8.0282 130.7995 55.9960 30.6554 174.1103 98 V 3.4016 8.9869 127.3212 63.0470 30.1271 170.7917 99 C 4.5216 7.2933 126.5243 59.3670 35.5496 175.4762 100 A 4.1523 8.7348 134.9713 54.5894 20.8086 175.0341 101 K 4.7242 7.7834 119.5621 54.7380 35.2373 176.4078 *102 C 4.3630 8.4480 119.5513 58.1094 28.5244 174.0170 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 4.12 0.00 1.83 1.92 0.00 3.46 0.00 0.00 3.33 7.27 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 8.43 3.10 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 0.79 0.00 0.00 0.93 0.00 0.00 4 K 8.67 4.44 0.00 1.90 1.94 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.48 1.35 7.81 5 M 7.73 3.95 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.53 0.00 6 H 8.99 4.87 0.00 3.28 3.53 0.00 5.55 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 6.60 2.64 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 0.73 0.00 0.00 0.91 0.00 0.00 8 K 7.54 4.55 0.00 1.62 1.67 0.00 1.44 0.00 0.00 1.62 0.00 0.00 3.33 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.41 7.81 9 K 7.87 4.80 0.00 1.78 1.80 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.36 7.81 10 G 8.53 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 11 D 7.21 5.01 0.00 2.75 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 0.00 0.00 0.00 12 T 9.60 5.09 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 1.21 0.00 0.00 13 V 8.96 4.66 2.23 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 0.72 0.00 0.00 0.91 0.00 0.00 14 L 8.82 4.67 0.00 1.72 1.51 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.36 4.18 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 0.95 0.00 0.00 1.00 0.00 0.00 16 A 9.77 3.99 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 17 S 8.22 4.16 0.00 4.02 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 0.00 18 G 9.36 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 0.00 0.00 0.00 0.00 19 K 9.72 3.77 0.00 1.82 2.19 0.00 2.06 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.90 1.36 7.81 20 Y 8.23 4.29 0.00 3.12 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 21 K 8.24 3.77 0.00 1.71 1.89 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.48 7.81 22 G 8.94 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 23 R 7.78 4.89 0.00 2.02 1.89 0.00 3.21 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.40 0.00 24 V 8.44 4.45 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 0.89 0.00 0.00 0.94 0.00 0.00 25 G 8.78 4.11 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 0.00 0.00 0.00 26 K 7.60 5.17 0.00 1.75 1.67 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.42 7.81 27 V 7.16 3.32 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 1.04 0.00 0.00 0.92 0.00 0.00 28 K 8.64 4.47 0.00 1.83 1.84 0.00 1.82 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.32 7.81 29 E 8.07 3.80 0.00 2.04 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 0.00 2.21 2.32 0.00 30 V 7.26 3.54 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 0.84 0.00 0.00 0.86 0.00 0.00 31 L 7.59 4.11 0.00 1.73 1.57 0.91 0.93 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 32 P 0.00 4.97 0.00 2.23 2.14 0.00 3.71 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.85 0.00 33 K 8.34 3.94 0.00 1.78 1.94 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.49 7.81 34 K 7.99 4.18 0.00 1.75 1.87 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.42 7.81 35 Y 7.84 3.42 0.00 3.16 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 36 A 7.45 5.04 1.24 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 37 V 7.83 4.49 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 0.65 0.00 0.00 0.95 0.00 0.00 38 I 8.01 4.52 1.88 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 1.35 0.57 0.95 0.00 0.00 39 V 7.54 3.98 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 0.82 0.00 0.00 0.89 0.00 0.00 40 E 9.04 4.58 0.00 1.95 1.90 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 2.21 2.25 0.00 41 G 7.85 3.73 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 0.00 0.00 0.00 42 V 5.73 2.93 1.76 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 1.23 0.00 0.00 0.20 0.00 0.00 43 N 8.45 5.56 0.00 2.72 2.78 0.00 0.00 7.39 7.45 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 44 I 6.95 3.30 1.87 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 1.35 0.43 0.93 0.00 0.00 45 V 8.26 3.90 2.17 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 1.02 0.00 0.00 1.02 0.00 0.00 46 K 7.82 4.55 0.00 1.78 0.74 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.28 1.32 7.81 47 K 8.67 3.17 0.00 1.77 1.81 0.00 1.21 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.30 1.32 7.81 48 A 6.51 3.80 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 49 V 7.74 3.99 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 0.81 0.00 0.00 1.06 0.00 0.00 50 R 7.72 4.13 0.00 2.09 2.00 0.00 3.34 0.00 0.00 3.05 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.52 0.00 51 V 7.82 3.87 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 0.79 0.00 0.00 0.89 0.00 0.00 52 S 8.67 4.46 0.00 4.05 4.28 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 53 P 0.00 4.54 0.00 2.04 2.26 0.00 3.71 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.28 0.00 54 K 9.02 3.73 0.00 1.51 1.13 0.00 1.91 0.00 0.00 1.65 0.00 0.00 3.39 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.34 7.81 55 Y 8.56 3.41 0.00 3.16 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 56 P 0.00 4.20 0.00 2.31 2.21 0.00 3.91 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 57 Q 8.50 4.56 0.00 2.16 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.66 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 58 G 8.70 4.75 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 0.00 0.00 0.00 59 G 7.78 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 60 F 8.61 5.40 0.00 2.89 3.14 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 61 I 8.11 3.68 1.92 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 1.48 0.77 0.95 0.00 0.00 62 E 8.28 3.75 0.00 2.34 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 2.26 2.31 0.00 63 K 7.71 4.72 0.00 1.74 1.68 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.42 7.81 64 E 8.97 5.04 0.00 1.89 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 65 A 8.10 4.26 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 66 P 0.00 3.96 0.00 2.22 2.22 0.00 3.94 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 2.05 2.03 0.00 67 L 7.86 3.80 0.00 1.88 1.59 0.92 0.82 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 68 H 8.87 4.03 0.00 3.24 3.19 0.00 5.73 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 8.56 3.81 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.50 4.45 0.00 4.05 3.72 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 71 K 8.14 4.22 0.00 1.85 1.85 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.57 1.58 7.81 72 V 7.42 4.71 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 0.69 0.00 0.00 0.92 0.00 0.00 73 R 8.72 4.79 0.00 1.70 1.74 0.00 3.14 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 74 P 0.00 4.67 0.00 2.10 2.21 0.00 3.72 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 2.30 1.98 0.00 75 I 7.78 4.93 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 0.82 0.97 0.00 0.00 76 C 9.04 4.42 0.00 2.91 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 77 P 0.00 4.02 0.00 2.15 2.23 0.00 3.74 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 1.96 2.07 0.00 78 A 6.68 4.81 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.20 4.66 0.00 2.96 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 0.00 0.00 0.00 80 G 8.61 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 81 K 8.05 3.59 0.00 1.89 1.81 0.00 1.78 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.44 7.81 82 P 0.00 4.39 0.00 2.04 2.02 0.00 3.67 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 2.10 0.00 83 T 8.09 4.42 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 1.21 0.00 0.00 84 R 8.37 4.93 0.00 1.96 1.88 0.00 3.10 0.00 0.00 3.10 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 85 V 8.26 4.46 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 0.79 0.00 0.00 0.94 0.00 0.00 86 R 8.82 4.59 0.00 1.92 1.88 0.00 3.17 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 1.62 1.56 0.00 87 K 8.88 3.83 0.00 2.05 2.08 0.00 1.95 0.00 0.00 2.21 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.60 1.64 7.81 88 K 8.00 3.84 0.00 1.89 2.36 0.00 1.74 0.00 0.00 1.92 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.49 7.81 89 F 8.40 3.78 0.00 3.08 3.25 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 90 L 7.57 5.14 0.00 1.75 1.79 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 91 E 7.30 4.79 0.00 1.74 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 2.09 2.24 0.00 92 N 8.75 4.81 0.00 2.71 2.64 0.00 0.00 6.51 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 8.70 4.40 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 0.00 0.00 0.00 94 K 8.56 5.17 0.00 1.84 1.90 0.00 1.13 0.00 0.00 0.61 0.00 0.00 2.73 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.31 7.81 95 K 8.41 4.89 0.00 1.70 1.71 0.00 1.68 0.00 0.00 2.03 0.00 0.00 2.81 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.48 1.43 7.81 96 I 8.35 4.08 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 1.16 0.68 0.91 0.00 0.00 97 R 8.03 4.26 0.00 1.68 1.79 0.00 3.39 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 98 V 8.99 3.40 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 99 C 7.29 4.52 0.00 2.96 2.14 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 0.00 100 A 8.73 4.15 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 0.00 101 K 7.78 4.72 0.00 1.76 1.72 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.49 7.81 *102 C 8.45 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.