NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 V 4.0497 8.0549 117.9084 60.4382 33.5620 176.4949 4 I 3.9082 7.7771 122.5141 59.5748 35.6436 173.3559 5 N 5.0243 8.1800 120.4263 51.7563 39.6454 174.2935 6 T 4.6396 7.6123 109.3925 60.5602 72.1411 175.0449 7 F 4.1787 8.4815 120.5889 61.1275 38.9879 177.7716 8 D 4.5710 8.2944 117.9932 57.1903 40.7287 178.4997 9 G 3.7362 8.0709 106.0177 48.1708 0.0000 175.7865 10 V 3.6217 8.2007 121.0119 65.0642 31.5976 178.0563 11 A 4.0988 7.9213 120.4575 55.4076 18.2277 178.9690 12 D 4.2733 8.1899 117.1849 57.8246 40.9812 178.2508 13 Y 4.1998 8.3569 119.8938 61.2316 38.7475 178.5977 14 L 4.2654 8.8439 119.9245 57.8630 41.4491 179.3868 15 Q 3.8698 7.8284 119.2644 58.9500 28.9523 178.7155 *16 T 4.1808 8.3504 115.7179 64.9934 68.7598 178.3171 17 Y 4.4466 7.7066 116.3207 56.7852 40.0052 175.6006 18 H 3.2009 8.2319 115.6362 55.7329 26.3010 174.2025 19 K 4.5505 7.6614 115.9344 56.4480 34.7136 174.1882 20 L 4.3246 8.2712 119.3436 52.7953 42.8745 175.3918 21 P 3.7665 0.0000 0.0000 62.8230 31.7519 177.7348 *22 D 4.4743 8.5208 118.7433 56.0996 39.7526 178.3904 23 N 4.5743 7.9582 112.8801 53.9981 37.7002 173.6168 24 Y 5.2562 7.6572 117.0094 56.5939 40.3451 175.1708 25 I 4.9668 8.5902 115.2322 59.3560 41.5944 174.7889 26 T 4.4245 9.4570 114.6167 61.3794 70.1945 175.6976 27 K 3.8776 9.1805 122.8774 59.8445 32.1442 179.6678 28 S 4.1975 8.1550 113.6612 61.7269 62.7336 176.0192 29 E 3.9614 8.0690 121.8994 58.9613 29.2022 179.3368 30 A 4.0891 8.2687 120.9085 55.3845 18.4303 179.7030 31 Q 4.3146 8.9819 116.7517 59.2138 28.5619 178.9901 32 A 4.1183 8.0296 120.8783 54.5409 18.4913 178.7021 33 L 4.4225 7.2180 113.8525 54.5198 42.1639 177.3982 34 G 4.1486 7.6449 106.9103 44.7470 0.0000 173.9636 35 W 4.3999 8.1892 130.4982 57.2229 31.1693 175.5174 36 V 3.7922 9.0182 125.4720 60.5410 32.1842 175.3708 37 A 3.2876 7.5513 131.3369 55.2889 18.0740 179.5981 38 S 4.3743 7.8498 109.4638 60.6675 63.0040 175.1178 39 K 4.2967 7.8242 118.1485 55.1797 33.0803 176.4117 40 G 3.2549 7.1437 106.9598 46.4773 0.0000 173.7858 41 N 4.8062 8.0346 114.0753 52.2858 38.1347 175.9662 42 L 3.9759 8.4946 122.8910 59.4475 41.5954 179.7759 43 C 4.4479 8.2259 114.3195 59.8163 40.2554 175.3077 44 D 4.3909 8.1930 120.2476 56.8296 40.5183 178.2379 45 V 4.2476 7.6810 109.8288 61.3277 33.6503 176.7883 46 A 4.6751 7.8858 120.7783 49.9903 20.6382 172.9242 47 P 4.3065 0.0000 0.0000 63.6240 32.2046 177.0568 48 G 3.8377 8.7363 109.0187 46.0010 0.0000 173.1411 49 K 4.7171 7.5125 117.9141 54.7656 34.5446 175.7914 50 S 4.4911 8.3464 116.9638 56.4968 67.6300 173.4474 51 I 4.2849 7.8481 122.6744 61.3165 38.0042 175.4135 52 G 4.1596 9.1432 111.3638 47.0848 0.0000 173.6215 53 G 4.3428 9.7788 110.9382 44.7238 0.0000 174.1761 54 D 4.6975 8.0139 119.4850 54.0826 42.4281 175.4905 55 I 4.3129 8.2626 121.7304 61.2073 38.0746 175.2471 56 F 4.6219 8.9363 132.3218 57.0347 40.0578 175.6681 57 S 3.9442 8.3949 123.7256 59.6479 62.3370 170.8125 58 N 3.8411 6.4558 119.4839 54.4758 37.1559 176.8381 59 R 3.8342 7.9472 115.9245 59.2289 29.5165 180.1874 60 E 4.0539 8.0603 116.0151 56.9107 29.5653 177.3135 61 G 3.8951 7.6989 106.5355 46.4021 0.0000 175.5711 62 K 4.0408 8.2218 120.9773 58.5911 32.3676 177.9249 63 L 3.7235 7.1918 117.5712 52.0110 42.4338 174.8347 64 P 4.1583 0.0000 0.0000 63.5602 31.2717 176.3413 65 G 4.0516 8.2758 111.3583 44.0694 0.0000 172.6861 66 K 4.0629 8.1729 115.3518 55.4107 34.7879 173.8525 67 S 4.1752 8.9972 122.7549 61.2456 62.8213 174.8611 68 G 3.8744 9.0685 114.2897 44.8359 0.0000 172.5580 69 R 4.1452 8.0168 120.7000 55.1821 31.1586 175.2659 70 T 4.6135 7.9027 121.1112 61.4969 71.6747 173.0831 71 W 5.0188 8.6411 124.7097 55.1589 32.1221 175.1243 72 R 5.2015 9.1176 121.4016 54.4092 34.3577 173.8630 73 E 5.5338 9.1176 117.9828 55.0058 33.5884 174.4194 74 A 4.9352 8.6347 120.5357 50.7479 22.9767 175.4983 75 D 4.9886 9.1520 122.0107 54.2311 40.4184 176.1118 76 I 4.3386 8.2491 122.2345 59.8927 40.7122 175.3872 77 N 4.2780 8.8555 120.7215 54.3412 36.8081 174.0109 78 Y 4.3961 7.2885 117.9992 58.1154 39.3883 176.4622 79 T 4.2498 7.1717 120.5297 63.6467 70.9430 172.7569 80 C 4.0733 5.9051 121.3079 56.9937 40.0905 174.3796 81 G 3.6981 8.4929 107.0956 44.3869 0.0000 173.2113 82 F 4.4381 8.5677 117.9190 57.3158 39.6301 175.5155 83 R 4.4336 8.7797 122.7239 56.4729 30.8518 176.7792 84 N 5.0318 8.4846 117.8021 52.2568 39.9111 175.2509 85 S 4.6877 8.6118 114.3847 58.7635 64.3545 172.8619 86 D 5.4115 8.4078 121.8014 53.7609 42.4189 175.8145 87 R 4.8538 9.2002 120.9361 54.8051 35.5656 173.5902 88 I 5.2444 8.9240 121.6719 59.3682 41.0399 174.1360 89 L 5.6524 9.5517 129.0470 53.1702 44.4478 175.0711 90 Y 5.6968 9.2503 121.9864 55.4269 41.6271 175.2572 91 S 3.7694 8.3967 118.4235 56.9613 64.6084 175.2850 92 S 3.5118 7.7903 114.9410 59.6330 62.9181 174.6289 93 D 4.4639 7.1269 119.5155 52.1988 39.4605 175.8965 94 W 3.7907 6.4262 116.4443 58.2908 27.1049 174.4734 95 L 4.6012 7.9124 117.8679 53.9819 42.6140 176.2324 96 I 5.3970 8.5854 123.3752 59.9790 40.3208 174.3705 97 Y 5.1357 10.0051 124.5697 56.0432 42.0826 174.4331 98 K 5.2547 9.2953 121.2403 55.2668 36.2789 174.7709 99 T 4.9391 8.8563 118.7496 60.5887 70.9294 173.9939 100 T 5.1669 8.7070 115.2369 60.0429 69.7798 173.2908 101 D 4.7188 7.3323 120.4451 53.7174 40.4594 174.7539 102 H 3.3621 8.3181 113.9755 59.2575 28.1610 174.0748 103 Y 3.3454 7.1988 109.9444 59.1951 36.2175 172.6080 104 Q 4.1987 7.7874 119.1965 58.3933 29.1003 176.5720 105 T 4.6621 8.3372 105.9894 59.5527 71.5032 173.0008 106 F 5.3592 8.5439 120.6977 56.0728 43.0051 174.3280 107 T 4.8598 8.8507 111.2580 59.6048 72.1381 173.1629 108 K 3.6988 8.7758 126.2085 56.4211 32.3577 176.2119 109 I 4.4964 8.8596 119.1191 60.6560 40.0596 175.7665 110 R 4.1878 7.5754 126.4983 56.4617 31.1607 174.5579 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 *3 V 8.05 4.05 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 0.94 0.00 0.00 0.93 0.00 0.00 4 I 7.78 3.91 1.70 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 1.38 0.38 0.89 0.00 0.00 5 N 8.18 5.02 0.00 2.73 2.80 0.00 0.00 5.80 7.22 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 6 T 7.61 4.64 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 1.21 0.00 0.00 7 F 8.48 4.18 0.00 3.19 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 8 D 8.29 4.57 0.00 2.77 2.77 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 9 G 8.07 3.74 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 0.00 0.00 0.00 10 V 8.20 3.62 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 0.86 0.00 0.00 1.03 0.00 0.00 11 A 7.92 4.10 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 0.00 0.00 0.00 0.00 0.00 12 D 8.19 4.27 0.00 2.87 2.77 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 13 Y 8.36 4.20 0.00 3.22 3.11 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 14 L 8.84 4.27 0.00 1.93 1.79 0.67 0.38 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 15 Q 7.83 3.87 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 7.00 0.00 0.00 0.00 0.00 0.00 2.44 2.60 0.00 *16 T 8.35 4.18 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 17 Y 7.71 4.45 0.00 2.43 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 18 H 8.23 3.20 0.00 3.20 3.28 0.00 5.69 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.66 4.55 0.00 1.93 1.89 0.00 1.56 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.56 7.81 20 L 8.27 4.32 0.00 1.63 1.50 0.77 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 3.77 0.00 2.21 1.11 0.00 3.39 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.37 0.00 *22 D 8.52 4.47 0.00 2.71 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 23 N 7.96 4.57 0.00 2.73 2.88 0.00 0.00 6.14 7.57 0.00 0.00 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 7.66 5.26 0.00 2.85 2.85 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 25 I 8.59 4.97 1.84 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 1.16 0.75 0.88 0.00 0.00 26 T 9.46 4.42 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 1.26 0.00 0.00 27 K 9.18 3.88 0.00 2.03 2.13 0.00 1.87 0.00 0.00 1.93 0.00 0.00 3.10 0.00 0.00 3.45 0.00 0.00 0.00 0.00 1.72 1.51 7.81 28 S 8.16 4.20 0.00 4.09 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 29 E 8.07 3.96 0.00 2.23 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 0.00 2.35 2.37 0.00 30 A 8.27 4.09 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 31 Q 8.98 4.31 0.00 2.34 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.45 2.84 0.00 32 A 8.03 4.12 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 33 L 7.22 4.42 0.00 1.88 1.75 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 34 G 7.64 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 0.00 0.00 0.00 35 W 8.19 4.40 0.00 3.20 3.22 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 36 V 9.02 3.79 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 0.87 0.00 0.00 0.91 0.00 0.00 37 A 7.55 3.29 0.80 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 38 S 7.85 4.37 0.00 3.82 3.97 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 39 K 7.82 4.30 0.00 1.75 1.77 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.30 7.81 40 G 7.14 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 0.00 0.00 0.00 41 N 8.03 4.81 0.00 2.90 3.02 0.00 0.00 5.71 6.67 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 42 L 8.49 3.98 0.00 1.47 1.76 0.42 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 43 C 8.23 4.45 0.00 2.99 3.12 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 0.00 0.00 0.00 0.00 44 D 8.19 4.39 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 45 V 7.68 4.25 2.31 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 0.82 0.00 0.00 1.10 0.00 0.00 46 A 7.89 4.68 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 47 P 0.00 4.31 0.00 2.03 2.00 0.00 3.79 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.28 0.00 48 G 8.74 3.84 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 0.00 0.00 0.00 49 K 7.51 4.72 0.00 1.59 1.58 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.47 7.81 50 S 8.35 4.49 0.00 2.98 3.54 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 51 I 7.85 4.28 1.67 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.27 0.83 0.00 0.00 52 G 9.14 4.16 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 0.00 53 G 9.78 4.34 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 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.01 4.70 0.00 2.70 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 55 I 8.26 4.31 1.87 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 1.22 0.47 0.89 0.00 0.00 56 F 8.94 4.62 0.00 3.01 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 S 8.39 3.94 0.00 3.67 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 58 N 6.46 3.84 0.00 2.77 2.72 0.00 0.00 7.31 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 59 R 7.95 3.83 0.00 1.87 1.85 0.00 3.32 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.24 0.00 60 E 8.06 4.05 0.00 1.97 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 2.31 2.31 0.00 61 G 7.70 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 0.00 0.00 0.00 62 K 8.22 4.04 0.00 1.83 1.94 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.44 1.03 7.81 63 L 7.19 3.72 0.00 0.35 0.13 -0.55 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.16 0.00 2.33 2.17 0.00 3.09 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.11 0.00 65 G 8.28 4.05 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 0.00 0.00 0.00 66 K 8.17 4.06 0.00 1.75 1.59 0.00 1.74 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.21 1.27 7.81 67 S 9.00 4.18 0.00 3.88 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 68 G 9.07 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 0.00 0.00 0.00 69 R 8.02 4.15 0.00 1.55 1.88 0.00 3.20 0.00 0.00 2.51 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.16 0.00 70 T 7.90 4.61 4.04 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 1.08 0.00 0.00 71 W 8.64 5.02 0.00 3.43 3.08 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 72 R 9.12 5.20 0.00 0.67 1.06 0.00 2.98 0.00 0.00 3.47 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.38 0.00 73 E 9.12 5.53 0.00 2.16 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 2.38 2.37 0.00 74 A 8.63 4.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 9.15 4.99 0.00 2.67 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 76 I 8.25 4.34 1.15 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.64 -0.18 0.00 0.00 77 N 8.86 4.28 0.00 2.79 2.87 0.00 0.00 6.92 7.31 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 78 Y 7.29 4.40 0.00 2.99 2.79 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 0.00 0.00 0.00 79 T 7.17 4.25 4.05 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 1.07 0.00 0.00 80 C 5.91 4.07 0.00 2.95 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 81 G 8.49 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 0.00 0.00 0.00 82 F 8.57 4.44 0.00 3.17 3.11 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 83 R 8.78 4.43 0.00 1.99 1.96 0.00 3.25 0.00 0.00 3.55 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.75 0.00 84 N 8.48 5.03 0.00 2.87 2.96 0.00 0.00 5.91 7.64 0.00 0.00 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 S 8.61 4.69 0.00 4.00 4.16 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 86 D 8.41 5.41 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 87 R 9.20 4.85 0.00 1.60 1.86 0.00 3.30 0.00 0.00 3.07 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.88 0.00 88 I 8.92 5.24 2.02 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.94 1.05 0.00 0.00 89 L 9.55 5.65 0.00 1.72 1.50 1.13 -0.40 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 90 Y 9.25 5.70 0.00 3.14 3.16 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 91 S 8.40 3.77 0.00 3.02 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 92 S 7.79 3.51 0.00 3.67 3.67 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 93 D 7.13 4.46 0.00 2.69 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 W 6.43 3.79 0.00 3.60 3.41 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 95 L 7.91 4.60 0.00 1.96 1.95 1.16 0.76 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 96 I 8.59 5.40 1.99 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.21 1.11 0.00 0.00 97 Y 10.01 5.14 0.00 2.93 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 98 K 9.30 5.25 0.00 1.59 1.64 0.00 0.64 0.00 0.00 1.18 0.00 0.00 2.41 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.00 0.45 7.81 99 T 8.86 4.94 3.62 0.00 0.00 0.00 0.00 0.00 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 0.00 100 T 8.71 5.17 4.35 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 1.22 0.00 0.00 101 D 7.33 4.72 0.00 2.69 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 0.00 102 H 8.32 3.36 0.00 3.37 3.40 0.00 5.74 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.20 3.35 0.00 3.24 3.23 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 0.00 104 Q 7.79 4.20 0.00 2.41 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.65 0.00 0.00 0.00 0.00 0.00 2.43 2.65 0.00 105 T 8.34 4.66 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 1.20 0.00 0.00 106 F 8.54 5.36 0.00 2.86 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 0.00 107 T 8.85 4.86 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 1.22 0.00 0.00 108 K 8.78 3.70 0.00 1.24 1.56 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.23 1.13 7.81 109 I 8.86 4.50 1.85 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 1.26 0.90 0.78 0.00 0.00 110 R 7.58 4.19 0.00 1.86 1.92 0.00 3.48 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 * Residues marked with a * may have inaccurate shift predictions.