NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.4846 8.1933 115.4186 57.3949 64.4581 175.3940 1 L 3.7843 9.2134 118.5165 56.3618 41.0431 177.3825 2 S 4.2315 8.2681 113.4131 61.0180 63.5066 175.5314 3 H 4.3249 8.1722 122.1801 58.9619 29.7251 176.7695 4 K 3.8954 8.3195 121.2868 59.5212 32.1093 178.5062 5 A 3.9839 8.2899 121.2193 54.9514 18.3358 179.2154 6 W 4.0800 8.4460 127.0874 60.7968 30.6934 178.1025 7 Q 3.5399 8.5479 118.0133 58.8686 27.9444 178.2477 8 N 4.1301 7.9175 116.0058 56.6461 38.7350 176.9619 9 A 4.0258 7.5821 120.1350 55.2469 18.7512 178.7668 10 H 3.9362 8.0012 116.8929 58.9730 29.7519 177.9358 11 A 3.7997 7.9090 120.9943 52.6231 18.0801 178.5216 *13 Y 4.4687 7.8808 123.8977 59.2621 40.8505 177.1356 14 E 3.7982 8.1652 119.2795 59.1932 29.4255 178.8189 15 N 4.0352 8.0360 117.1734 56.6019 38.8418 176.6853 16 D 4.4859 8.1293 120.9580 56.7281 40.9537 178.5030 17 A 3.7816 7.7354 121.2927 55.2676 18.4582 179.5136 18 C 4.0581 7.9617 115.0555 62.5914 28.0126 176.3312 19 A 3.9303 7.8949 122.5218 54.9760 18.0732 179.1829 20 K 3.7085 8.2050 118.3794 60.0277 31.9807 178.5155 21 A 4.1287 7.6923 118.2925 53.8765 18.4859 178.4233 22 L 4.4468 7.5682 115.3162 53.5502 42.6829 176.2789 23 G 3.8004 8.0324 106.7943 46.8491 0.0000 173.8218 24 I 4.6379 7.9324 119.8486 59.2689 39.3554 175.2700 25 D 5.0300 8.7976 125.1587 52.3437 43.5950 175.7301 26 I 3.9292 8.2070 123.7238 61.6262 37.0234 175.7204 27 I 4.2134 8.3866 128.0711 62.8644 38.6548 175.8929 28 S 4.2870 7.5900 113.3859 57.4917 65.2553 173.2024 *30 D 4.3541 8.0542 121.9819 53.4550 41.6829 173.1530 31 E 3.9912 8.3463 120.2745 58.1019 29.4255 177.1059 32 G 4.0798 10.6781 115.6676 45.3495 0.0000 171.5490 33 F 5.7191 7.8922 112.4658 55.7575 41.3505 173.5794 34 A 4.9016 9.1780 120.5636 50.7765 23.2044 175.4179 35 V 4.8690 8.9664 121.1956 61.3562 34.1379 174.9405 36 V 5.0258 8.8304 120.9622 59.9142 35.9391 174.9112 37 T 5.5806 8.7296 112.0081 59.3038 72.5085 172.1699 *39 T 4.6115 8.3236 116.4351 63.6279 69.7615 174.3639 40 V 3.9387 8.6806 127.2571 62.9806 32.3458 175.4788 41 T 4.8797 8.4307 116.7930 59.4145 71.2899 174.9970 42 A 3.8135 8.3951 124.0817 54.8609 18.6811 179.1629 43 Q 4.2444 7.2055 116.4870 55.5958 27.8984 176.4504 *45 L 4.3711 7.7216 116.4814 54.6757 43.4811 177.6134 46 N 4.7748 8.8696 120.6268 51.9551 39.6171 175.6104 47 G 3.6060 8.5583 105.5522 48.6583 0.0000 173.9847 48 H 4.6886 8.3214 115.6244 55.1380 28.7328 174.7674 49 Q 3.6008 7.9869 117.0861 57.2520 26.7672 173.2137 50 S 4.9706 8.0940 110.1965 55.9174 67.1920 172.6917 51 C 4.4567 8.9775 121.7810 60.0450 31.7955 173.1513 52 H 4.2937 9.1180 122.1188 55.3982 29.0052 176.5209 53 G 4.1108 9.1536 108.6544 48.2940 0.0000 175.7070 54 G 3.7990 8.0567 106.5031 47.0249 0.0000 175.8924 55 Q 4.0279 7.7395 120.6362 58.8329 28.8754 178.1162 56 L 4.0603 8.0333 119.5573 58.0662 41.6736 179.3238 57 F 4.2468 8.5622 120.4346 61.3811 39.3408 177.4777 58 S 4.1846 8.3332 114.8549 61.1933 62.5991 176.3202 59 L 3.8507 8.2228 123.1541 58.0653 41.8703 178.7779 60 A 3.5351 7.5199 120.5223 55.1105 18.0068 178.7788 61 D 4.1559 7.9713 116.6791 58.0448 41.1323 178.9863 62 T 3.6883 8.0305 115.7396 66.4378 68.3794 176.5958 63 A 4.1224 8.0442 122.7674 55.0632 18.3230 179.4710 64 F 3.9766 8.3131 118.8434 61.3802 39.5413 176.9167 65 A 3.2810 7.9040 120.6468 55.4911 17.7571 179.2942 66 Y 4.0545 7.7805 114.6208 61.0412 37.6392 178.5512 67 A 4.0622 8.0088 121.2717 55.3269 18.7957 179.0363 68 C 4.0482 7.6805 115.2007 63.2037 28.2564 175.8927 69 N 4.2041 8.0814 117.9763 56.6371 37.9417 177.3413 70 S 4.2435 8.0430 114.8822 60.4616 62.7387 174.8853 71 Q 4.5142 7.6247 119.4628 55.4297 28.7865 175.1456 72 G 3.9417 7.8534 103.9170 47.8604 0.0000 174.8526 73 L 4.7339 7.6484 112.9670 52.1226 42.2156 177.2582 74 A 3.8012 7.7385 120.1599 53.1235 19.1611 176.9613 75 A 4.9081 8.0139 122.3901 50.9825 22.7284 175.3700 76 V 4.7307 8.6106 111.6487 59.3379 35.6603 174.9985 77 A 4.6912 8.5838 124.5034 51.8255 18.5760 177.6798 78 S 4.6122 8.8620 117.0809 59.6302 64.5972 174.2039 79 A 4.7684 7.7088 120.3243 51.1314 22.5579 174.5564 80 C 5.1085 8.4866 118.5720 58.4484 35.0133 173.2121 81 T 4.7428 9.0098 122.0624 61.8586 71.5685 173.2405 82 I 4.4287 7.8946 124.7479 59.5999 41.0663 174.0363 83 D 4.5890 8.4128 127.1934 52.6208 42.8401 175.3824 84 F 4.7906 8.5793 122.5568 56.4571 39.5348 175.4319 85 L 4.5759 9.1301 124.4295 56.0383 43.0764 177.4768 86 R 4.6703 7.6430 114.5978 53.9723 34.1176 172.8651 87 P 4.3173 0.0000 0.0000 62.3569 32.6437 175.7931 88 G 3.9232 8.1689 108.5794 44.7384 0.0000 173.0351 89 F 5.2771 8.7343 123.9183 55.5805 41.5404 175.2550 90 A 4.0658 8.8687 123.1776 54.1957 18.3899 178.8876 91 G 4.0201 8.9249 109.0383 45.8747 0.0000 173.9813 92 D 4.7388 8.2397 120.3830 54.6496 42.1936 175.3728 93 T 4.8163 8.6065 118.0350 62.0198 70.8604 173.4151 94 L 5.0668 8.5365 126.2303 53.1925 44.9801 175.3990 95 T 5.0404 9.0630 120.0175 61.7144 71.5072 172.7775 96 A 5.1680 9.0419 128.9977 50.5409 21.5530 175.1387 97 T 5.0663 8.8892 120.0529 62.0495 70.7518 173.7909 98 A 5.3612 9.2674 128.5165 50.4222 22.4243 175.2104 99 Q 5.1259 8.9756 121.8852 54.4862 32.8380 174.3055 100 V 3.0774 8.5849 127.3577 61.9444 31.3780 176.1127 101 R 4.4749 8.8693 122.9960 57.2377 32.4021 176.0568 102 H 4.8444 7.6944 116.9747 54.5578 33.7895 172.2421 103 Q 4.4578 8.2963 125.1784 54.5979 31.0955 174.4595 104 G 4.0729 9.4742 121.6324 44.9897 0.0000 172.6232 105 K 4.1692 8.7660 118.1805 58.7874 32.6391 177.8394 106 Q 4.5754 8.0631 115.7189 55.7578 30.8457 174.7600 107 T 5.2005 7.5995 106.6361 60.1471 73.0494 172.6881 108 G 4.4868 8.7778 107.7152 45.2355 0.0000 171.6688 109 V 5.2407 8.9848 119.2946 61.2662 35.0321 173.7711 110 Y 5.0535 9.2890 124.4394 56.3316 41.9835 174.0063 111 D 5.5172 9.0558 122.8737 52.7373 43.9829 175.4129 112 I 5.7623 8.9782 122.8853 58.4609 41.0860 173.8823 113 E 5.1502 8.8692 126.7147 54.4681 32.5908 174.1560 114 I 5.0121 8.7582 127.3244 59.8029 39.7660 175.1505 115 V 5.0250 8.6130 119.2081 59.5242 36.1448 175.4223 116 N 5.1034 9.3621 120.5783 50.8028 38.9785 175.8039 117 Q 4.1354 8.5196 115.0878 58.4038 28.8111 176.6021 118 Q 4.3314 8.4201 118.2011 55.5791 28.7092 176.3758 119 Q 3.6964 8.2819 115.3731 56.5729 27.1655 173.7006 120 K 4.3352 7.6188 116.5978 55.6928 33.0344 176.5333 121 T 4.4708 8.3553 119.6322 63.8697 69.1794 174.3234 122 V 4.1722 9.0894 127.0102 64.6680 33.1892 175.4903 123 A 5.0249 7.7926 119.7822 50.5144 22.8906 174.6681 124 L 5.1590 8.3847 120.2223 52.9715 44.5534 175.7275 125 F 5.0875 9.6161 122.0667 55.5372 42.7362 174.1951 126 R 5.0157 8.9523 122.2874 54.5487 32.8337 174.3108 127 G 4.3217 9.2719 113.7276 44.2339 0.0000 171.5595 128 K 5.2025 8.5951 124.6599 54.5045 34.4840 175.3843 129 S 5.3331 9.2481 121.8302 56.8429 67.0297 172.4523 130 H 5.0311 10.2100 119.9007 55.8138 32.5612 173.6561 131 R 4.2486 8.7886 124.7589 55.9464 31.7320 174.6803 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 0 S 8.19 4.48 0.00 4.04 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 1 L 9.21 3.78 0.00 1.73 1.83 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 2 S 8.27 4.23 0.00 4.10 4.15 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 3 H 8.17 4.32 0.00 3.30 3.58 0.00 5.87 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.32 3.90 0.00 1.96 2.00 0.00 1.59 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.52 7.81 5 A 8.29 3.98 1.40 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 6 W 8.45 4.08 0.00 3.52 3.47 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 7 Q 8.55 3.54 0.00 2.28 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.48 0.00 0.00 0.00 0.00 0.00 2.66 2.82 0.00 8 N 7.92 4.13 0.00 2.84 2.85 0.00 0.00 7.07 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.58 4.03 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 10 H 8.00 3.94 0.00 1.70 2.68 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 7.91 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *13 Y 7.88 4.47 0.00 3.06 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 14 E 8.17 3.80 0.00 1.94 1.89 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 2.42 2.45 0.00 15 N 8.04 4.04 0.00 2.55 2.37 0.00 0.00 7.20 7.77 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 16 D 8.13 4.49 0.00 2.70 2.63 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 17 A 7.74 3.78 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.96 4.06 0.00 3.01 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 19 A 7.89 3.93 1.46 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 0.00 0.00 20 K 8.20 3.71 0.00 1.90 1.91 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.47 7.81 21 A 7.69 4.13 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 22 L 7.57 4.45 0.00 1.79 1.72 0.91 0.70 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 23 G 8.03 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 24 I 7.93 4.64 1.91 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 1.31 0.69 0.98 0.00 0.00 25 D 8.80 5.03 0.00 2.53 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 26 I 8.21 3.93 1.64 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 -0.07 0.70 0.00 0.00 27 I 8.39 4.21 1.97 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 1.11 0.52 0.91 0.00 0.00 28 S 7.59 4.29 0.00 3.85 3.75 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 *30 D 8.05 4.35 0.00 2.02 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 0.00 0.00 0.00 31 E 8.35 3.99 0.00 1.93 1.89 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 2.31 2.30 0.00 32 G 10.68 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 0.00 0.00 0.00 33 F 7.89 5.72 0.00 3.07 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 34 A 9.18 4.90 1.26 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 35 V 8.97 4.87 2.15 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 1.08 0.00 0.00 1.08 0.00 0.00 36 V 8.83 5.03 2.19 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 0.79 0.00 0.00 0.97 0.00 0.00 37 T 8.73 5.58 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 1.22 0.00 0.00 *39 T 8.32 4.61 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 40 V 8.68 3.94 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 1.07 0.00 0.00 1.00 0.00 0.00 41 T 8.43 4.88 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 1.29 0.00 0.00 42 A 8.40 3.81 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 0.00 0.00 0.00 0.00 0.00 43 Q 7.21 4.24 0.00 1.93 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.35 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 *45 L 7.72 4.37 0.00 1.69 1.69 1.04 1.22 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 46 N 8.87 4.77 0.00 2.90 3.00 0.00 0.00 6.72 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.56 3.61 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 0.00 0.00 0.00 48 H 8.32 4.69 0.00 3.18 3.36 0.00 5.86 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 7.99 3.60 0.00 2.32 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.70 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 50 S 8.09 4.97 0.00 3.69 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 C 8.98 4.46 0.00 3.09 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 H 9.12 4.29 0.00 3.23 3.39 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 53 G 9.15 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 54 G 8.06 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 55 Q 7.74 4.03 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.70 0.00 0.00 0.00 0.00 0.00 2.29 2.55 0.00 56 L 8.03 4.06 0.00 2.18 2.11 1.14 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 57 F 8.56 4.25 0.00 3.54 3.17 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 58 S 8.33 4.18 0.00 4.10 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 59 L 8.22 3.85 0.00 1.73 1.79 0.91 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 60 A 7.52 3.54 -0.04 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 0.00 0.00 61 D 7.97 4.16 0.00 2.40 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 62 T 8.03 3.69 4.36 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 1.10 0.00 0.00 63 A 8.04 4.12 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 64 F 8.31 3.98 0.00 2.97 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 65 A 7.90 3.28 1.11 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 66 Y 7.78 4.05 0.00 3.12 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 67 A 8.01 4.06 1.53 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 0.00 0.00 68 C 7.68 4.05 0.00 2.59 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 69 N 8.08 4.20 0.00 2.76 2.85 0.00 0.00 6.88 6.38 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 70 S 8.04 4.24 0.00 4.02 3.95 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 71 Q 7.62 4.51 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.47 2.28 0.00 72 G 7.85 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.65 4.73 0.00 1.73 1.61 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.74 3.80 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 75 A 8.01 4.91 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 76 V 8.61 4.73 2.15 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 0.75 0.00 0.00 1.04 0.00 0.00 77 A 8.58 4.69 0.97 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 0.00 0.00 78 S 8.86 4.61 0.00 3.93 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 0.00 79 A 7.71 4.77 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 80 C 8.49 5.11 0.00 3.03 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.01 4.74 4.20 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 1.14 0.00 0.00 82 I 7.89 4.43 1.16 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.42 -0.77 0.00 0.00 83 D 8.41 4.59 0.00 2.39 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 0.00 0.00 0.00 0.00 84 F 8.58 4.79 0.00 2.94 2.94 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 0.00 0.00 0.00 85 L 9.13 4.58 0.00 1.68 1.72 0.91 0.84 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 86 R 7.64 4.67 0.00 1.74 1.78 0.00 3.43 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 87 P 0.00 4.32 0.00 0.79 1.66 0.00 3.59 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 88 G 8.17 3.92 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 0.00 0.00 0.00 89 F 8.73 5.28 0.00 3.33 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.87 4.07 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 0.00 0.00 0.00 0.00 0.00 91 G 8.92 4.02 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 0.00 0.00 0.00 92 D 8.24 4.74 0.00 2.82 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 93 T 8.61 4.82 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 1.23 0.00 0.00 94 L 8.54 5.07 0.00 1.59 1.57 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 95 T 9.06 5.04 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 1.28 0.00 0.00 96 A 9.04 5.17 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 97 T 8.89 5.07 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 98 A 9.27 5.36 1.37 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 0.00 0.00 0.00 99 Q 8.98 5.13 0.00 2.18 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.94 0.00 0.00 0.00 0.00 0.00 2.21 2.33 0.00 100 V 8.58 3.08 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 0.70 0.00 0.00 0.46 0.00 0.00 101 R 8.87 4.47 0.00 1.68 1.95 0.00 3.26 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 102 H 7.69 4.84 0.00 3.17 3.04 0.00 5.80 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 0.00 103 Q 8.30 4.46 0.00 1.93 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.63 0.00 0.00 0.00 0.00 0.00 2.23 2.39 0.00 104 G 9.47 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 K 8.77 4.17 0.00 1.75 1.89 0.00 1.59 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.52 7.81 106 Q 8.06 4.58 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 107 T 7.60 5.20 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 1.11 0.00 0.00 108 G 8.78 4.49 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 0.00 109 V 8.98 5.24 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 1.05 0.00 0.00 0.97 0.00 0.00 110 Y 9.29 5.05 0.00 3.10 3.06 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 0.00 111 D 9.06 5.52 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 0.00 112 I 8.98 5.76 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.02 0.81 0.00 0.00 113 E 8.87 5.15 0.00 2.04 1.79 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 0.00 2.29 2.33 0.00 114 I 8.76 5.01 2.01 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.73 0.97 0.00 0.00 115 V 8.61 5.02 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 0.79 0.00 0.00 0.95 0.00 0.00 116 N 9.36 5.10 0.00 2.93 3.01 0.00 0.00 6.65 7.33 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 0.00 117 Q 8.52 4.14 0.00 2.20 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 7.34 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 118 Q 8.42 4.33 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.16 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 119 Q 8.28 3.70 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.45 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 120 K 7.62 4.34 0.00 1.96 1.74 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.62 1.58 7.81 121 T 8.36 4.47 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 1.22 0.00 0.00 122 V 9.09 4.17 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 1.06 0.00 0.00 0.97 0.00 0.00 123 A 7.79 5.02 1.17 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 0.00 124 L 8.38 5.16 0.00 1.47 1.51 0.88 0.93 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 0.00 125 F 9.62 5.09 0.00 2.85 2.87 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 0.00 126 R 8.95 5.02 0.00 1.86 1.73 0.00 3.04 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 1.52 1.78 0.00 127 G 9.27 4.32 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 0.00 0.00 0.00 0.00 0.00 0.00 128 K 8.60 5.20 0.00 1.93 1.69 0.00 1.51 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.47 7.81 129 S 9.25 5.33 0.00 4.15 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 0.00 130 H 10.21 5.03 0.00 3.19 3.20 0.00 5.57 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 R 8.79 4.25 0.00 2.00 2.09 0.00 3.30 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 1.55 1.49 0.00 * Residues marked with a * may have inaccurate shift predictions.