NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -8 D 4.6717 8.3649 119.5593 52.9796 42.2037 175.9995 -7 K 4.1923 8.0259 115.6118 55.8427 32.5693 174.5442 -6 I 4.3483 8.3027 122.4073 59.7951 40.0121 174.1682 -5 H 5.2164 8.5589 122.1027 54.2727 30.4514 173.7205 -4 H 4.6586 7.7913 115.2283 56.0011 30.5326 173.2175 -3 H 4.9937 8.7359 115.1608 56.3169 29.0917 174.1646 -2 H 4.9030 8.1966 115.9832 56.2489 30.3112 175.1638 -1 H 4.3574 8.2186 116.3692 59.1419 29.4666 175.8871 0 H 4.9878 7.6284 117.5374 54.4744 26.2005 175.2398 -6 K 4.4983 8.5927 122.9073 54.8951 34.3121 174.3683 -5 V 4.6064 8.1689 123.1027 61.4727 34.3514 175.9205 -4 I 4.0986 7.3713 116.9283 62.1011 40.3326 175.5175 -3 E 4.6137 8.7359 117.1608 57.9169 29.9917 176.6646 -2 T 4.5230 7.9266 111.3832 63.0489 71.1112 175.7637 -1 K 3.9474 8.0886 118.5692 60.3419 33.5666 178.3871 0 Y 4.8078 7.3284 119.6375 57.3744 35.0005 177.0398 9 S 4.6581 7.8425 113.6475 57.2468 64.9482 176.0243 10 G 3.7924 8.0066 108.6942 45.6411 0.0000 173.1076 11 K 4.8519 8.5513 120.7557 56.3434 32.7396 176.8387 12 L 4.9256 8.4045 123.5730 52.9872 45.7528 175.4877 13 E 5.5198 8.7479 120.8249 55.3752 31.0485 175.9528 14 V 4.5725 8.0690 116.2877 58.9841 35.1853 175.5881 15 A 4.1103 8.7026 127.5931 52.2307 19.1615 178.2531 16 E 3.9849 8.9360 121.4107 59.5573 29.6898 178.6839 17 D 4.6069 8.1051 115.1381 54.6050 39.5562 176.6458 18 R 4.4089 7.9143 118.4315 56.3493 30.7045 175.9419 19 L 4.4455 7.8345 119.7518 54.1733 42.5951 176.2551 20 I 4.5026 9.0624 125.7833 59.6424 39.1016 174.8763 21 A 4.7531 8.8932 130.3778 51.9546 19.1705 177.3884 22 F 4.8319 9.3588 123.1537 54.9066 38.9465 176.3236 23 D 4.3915 8.7268 123.6125 56.7613 41.0787 177.5889 24 Q 4.5071 8.2886 115.7730 54.6239 29.6148 177.6145 25 G 4.3001 8.0650 106.5998 46.3730 0.0000 173.2851 26 I 4.7163 8.1024 120.3151 58.3817 40.7111 173.0406 27 P 4.5238 0.0000 0.0000 63.7126 31.4297 176.7551 28 A 3.6959 9.7032 124.1636 52.4540 17.0840 177.6919 29 F 4.9995 8.3156 115.3527 56.4965 39.9506 176.3905 30 E 4.3509 8.2921 121.4510 58.9371 29.9236 178.9380 31 D 4.5626 8.1281 116.4189 54.3735 40.2275 176.3510 32 E 4.2981 8.4002 121.2617 55.7433 28.5160 176.1939 33 K 4.9683 8.3157 122.1831 56.2785 33.9673 175.7116 34 E 5.3637 7.5423 121.7364 55.0160 33.2138 173.6893 35 F 5.3624 9.5099 124.5698 55.6784 44.0831 173.8893 36 V 4.8173 8.9062 120.2793 59.8958 34.4810 174.1252 37 L 4.8251 8.6160 125.2921 54.1308 43.2403 175.6958 38 L 4.7604 9.0861 127.3652 52.3158 43.3185 174.0829 39 P 4.4205 0.0000 0.0000 62.2994 31.7897 176.5865 40 F 4.5704 9.0706 126.8964 60.2008 39.5893 175.1685 41 A 4.0950 7.6666 117.5170 50.5115 21.6487 175.2995 42 A 4.1231 8.5434 125.1858 54.2782 18.6529 178.1465 43 G 4.0074 9.1982 111.1676 45.0306 0.0000 173.2674 44 T 4.7093 7.4103 109.1897 59.4282 71.2590 171.9690 45 P 4.9550 0.0000 0.0000 63.2969 32.8157 174.0145 46 Y 5.3230 7.8884 118.0350 57.4377 40.2639 174.2364 47 Y 5.4833 9.1614 119.8176 57.0929 43.4143 173.7491 48 T 5.1325 9.1430 111.1591 60.0209 72.3180 173.0874 49 L 4.9738 9.1519 126.8122 53.8302 43.5716 174.2899 50 Q 5.0082 8.8807 128.8150 54.0728 30.8199 174.7190 51 S 3.7990 8.8462 122.7601 58.6706 62.6313 174.2090 52 T 4.2215 8.1380 116.0117 62.2027 69.2036 175.2756 53 K 4.3043 7.6665 120.0956 56.5943 34.5443 175.8640 54 T 4.4372 7.7627 115.2393 61.1581 70.2425 174.8287 55 V 3.6296 8.4389 127.2767 64.6535 31.4276 176.7424 56 D 4.2899 7.8807 116.5444 53.9820 41.1900 175.2574 57 L 4.2703 7.6273 121.2391 53.8974 42.9248 174.8768 58 A 4.9109 7.6897 127.3800 50.2950 21.9196 175.0545 59 F 4.4419 9.3149 122.7113 57.2842 40.7698 175.2058 60 I 4.8681 8.5312 124.5863 60.5771 38.4441 174.8798 61 I 5.3113 9.0524 120.0597 59.3462 41.6181 174.5302 62 V 5.1727 8.5702 114.9346 59.3659 36.4889 174.8884 63 N 4.8798 9.2855 122.0327 52.8281 38.8172 174.0720 64 P 4.4206 0.0000 0.0000 65.7125 31.1409 178.2330 65 F 4.5659 8.0744 116.8652 60.3455 38.8110 177.3169 66 S 4.1591 7.9809 113.5662 60.4455 62.5790 175.4321 67 F 4.4303 7.8415 118.4862 56.8510 41.3824 175.6081 68 F 4.8185 8.1620 117.0957 54.1716 39.4626 173.0807 69 P 4.4091 0.0000 0.0000 65.3832 31.4952 177.3624 70 E 4.4314 8.2394 114.4485 56.6051 29.9827 176.0001 71 Y 4.5148 7.9823 120.9764 58.0216 39.3458 175.6443 72 R 4.6491 8.2507 124.3405 54.4307 34.1395 174.7527 73 V 4.0565 8.3168 121.5112 60.8481 33.3028 174.7945 74 K 4.2940 8.5170 127.3588 54.8319 32.2402 176.2862 75 L 4.2587 8.3160 125.2800 53.1900 42.1579 176.1602 76 P 4.4325 0.0000 0.0000 62.0609 33.4905 176.6531 77 E 3.8932 8.8774 119.9746 59.9556 29.2722 179.3150 78 A 4.0666 7.9244 119.8594 55.1816 18.4915 179.6459 79 T 3.8432 7.7053 114.1401 66.6025 68.6658 176.7175 80 I 3.6497 7.8181 121.6067 64.5125 37.1625 178.3456 81 A 3.9636 7.8727 120.9149 55.1493 18.0263 179.2231 82 Q 3.9353 8.0585 117.1529 58.9563 29.0998 177.9177 83 L 4.4187 7.6523 116.4038 53.0665 42.6580 176.1293 84 N 4.1236 7.8308 115.4596 54.1645 36.7155 174.9165 85 I 4.0513 7.7610 118.0773 61.3082 37.9938 176.6813 86 T 4.5601 8.3415 113.8560 60.6323 69.6163 173.2323 87 N 4.4599 7.6531 117.2770 52.8084 41.9943 174.9962 88 E 3.9958 8.6536 123.3264 59.4005 29.7567 178.7414 89 N 4.4784 8.1354 115.4702 55.5382 38.8808 175.8787 90 D 4.4336 8.2213 118.4620 56.2305 41.1523 175.8529 91 V 4.6390 7.3625 118.4018 61.1657 33.1675 175.0645 92 A 4.7032 9.0930 128.9552 50.1105 21.9653 174.7628 93 I 4.8783 8.0599 122.2125 59.6060 39.4647 175.0889 94 F 5.1642 9.0654 123.7262 55.8897 43.9077 173.8357 95 S 4.9423 9.1642 116.1211 56.5940 66.8898 173.6013 96 L 4.5713 8.4033 124.0583 54.6029 42.5366 176.3973 97 L 4.6478 8.8048 124.6770 55.0212 43.0111 177.3936 98 T 4.4739 8.8343 120.3212 61.5986 69.5019 172.9174 99 V 4.0762 8.2632 126.0625 62.6846 32.4048 174.9581 100 K 4.7664 8.8569 126.2866 54.5138 36.4929 174.6079 101 E 4.7855 8.4982 122.0814 53.5200 31.2456 174.0576 102 P 4.5085 0.0000 0.0000 62.1657 32.4062 176.9983 103 F 4.5262 9.0322 121.0555 60.7016 39.4140 177.3359 104 S 2.7900 7.7322 113.8514 60.1491 62.5177 174.6013 105 E 4.2264 7.7957 119.1621 56.6295 29.7793 176.6420 106 T 4.1782 7.5851 117.9249 64.2425 69.5667 173.4104 107 T 5.1957 8.5406 115.2230 59.8511 72.5855 173.2726 108 V 4.7467 8.7828 121.6747 59.9246 34.7678 174.5003 109 N 4.7557 8.6940 123.1502 52.3112 38.1034 174.5205 110 L 3.9889 8.4060 125.9986 55.6110 41.9360 177.8700 111 Q 4.3042 8.4227 120.2136 57.3443 30.1763 174.8787 112 A 5.5095 7.8967 119.1254 48.3802 18.1045 173.8719 113 P 4.5649 0.0000 0.0000 61.9859 33.6964 177.0910 114 I 4.4283 8.7159 123.2638 61.2795 38.6283 175.0655 115 V 4.8231 9.1173 126.9481 61.1513 34.3778 174.1634 116 I 4.7106 8.7262 128.1836 59.5944 41.1175 174.2436 117 N 5.2710 8.9407 125.7576 51.3100 38.5001 175.0432 118 A 4.1034 8.5878 129.5176 54.9444 19.0594 178.5059 119 N 4.4491 8.4246 112.3657 56.1625 38.6036 175.9868 120 K 4.1994 8.0089 113.8236 55.2866 32.7161 175.3555 121 Q 3.1466 7.7231 120.5404 55.9410 25.8713 173.0581 *123 G 3.0999 7.9028 110.4288 44.9597 0.0000 169.1735 124 K 4.4537 7.9348 117.2446 56.0370 36.4978 173.9650 125 Q 4.9766 8.6914 121.8429 54.4160 30.7376 174.0076 126 L 4.6675 8.7840 128.7922 53.2270 44.5056 175.0982 127 V 4.1924 8.3830 126.9136 62.0772 32.0213 175.4970 128 L 4.3042 9.0169 129.3964 54.5559 41.3686 176.9474 129 G 4.0760 8.5824 110.6537 45.0295 0.0000 173.0929 130 D 4.5959 8.7079 119.2458 55.3781 38.1720 173.7450 131 T 4.4264 7.2032 107.5510 59.9765 71.2705 173.1768 132 A 4.6630 7.7048 122.2037 52.0511 19.5853 176.6748 133 Y 4.5381 7.3011 116.7294 59.3028 38.9109 175.0630 134 N 4.7306 8.5423 121.7142 52.5647 40.0085 176.1845 135 R 4.3519 8.5734 123.9911 58.0755 30.7484 176.7557 136 K 4.7942 8.3178 117.9601 55.2412 33.2045 176.5582 137 Q 4.0191 7.8911 120.3103 55.7873 30.1796 174.1801 138 P 4.5449 0.0000 0.0000 62.7806 31.3239 176.3820 139 L 4.0470 8.8753 127.2009 57.2044 42.6216 177.1093 140 F 4.6162 8.1978 116.0842 55.3337 41.0429 174.8493 141 Q 4.3061 8.6654 125.7577 55.6840 28.8004 175.4506 142 K 4.5390 8.7172 123.6045 56.1501 33.3450 175.9130 143 E 4.5686 8.3992 118.7544 54.5717 31.3379 175.1012 144 L 4.4638 8.2730 122.9083 53.4826 42.9436 175.7968 145 V 4.1943 8.3208 126.3433 61.2962 32.5527 174.5893 146 L 4.6830 8.4924 126.8198 53.1663 43.3871 175.9308 147 A 4.5629 7.9396 123.6884 52.5701 20.2338 175.8792 148 K 5.2227 7.2036 121.5805 56.0228 31.4970 175.0496 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 -8 D 8.36 4.67 0.00 2.71 2.65 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 0.00 0.00 0.00 0.00 -7 K 8.03 4.19 0.00 1.80 1.84 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.53 7.81 -6 I 8.30 4.35 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.92 0.90 0.00 0.00 -5 H 8.56 5.22 0.00 3.15 3.16 0.00 5.79 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -4 H 7.79 4.66 0.00 3.31 3.36 0.00 5.59 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 H 8.74 4.99 0.00 3.19 3.34 0.00 5.66 0.00 0.00 0.00 0.00 8.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -2 H 8.20 4.90 0.00 3.24 3.28 0.00 5.87 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 H 8.22 4.36 0.00 3.22 3.39 0.00 5.75 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 H 7.63 4.99 0.00 3.35 3.48 0.00 5.57 0.00 0.00 0.00 0.00 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -6 K 8.59 4.50 0.00 1.62 1.50 0.00 0.61 0.00 0.00 1.82 0.00 0.00 2.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.41 7.81 -5 V 8.17 4.61 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 1.04 0.00 0.00 0.93 0.00 0.00 -4 I 7.37 4.10 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 1.41 0.73 0.91 0.00 0.00 -3 E 8.74 4.61 0.00 1.96 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 2.19 2.19 0.00 -2 T 7.93 4.52 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 -1 K 8.09 3.95 0.00 1.77 1.98 0.00 0.61 0.00 0.00 1.76 0.00 0.00 2.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.37 7.81 0 Y 7.33 4.81 0.00 3.09 3.30 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 9 S 7.84 4.66 0.00 3.86 3.86 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 0.00 0.00 0.00 10 G 8.01 3.79 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 0.00 0.00 0.00 11 K 8.55 4.85 0.00 1.65 1.76 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.74 7.81 12 L 8.40 4.93 0.00 1.48 1.53 0.96 0.96 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 13 E 8.75 5.52 0.00 1.86 1.87 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 2.25 2.34 0.00 14 V 8.07 4.57 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 0.73 0.00 0.00 0.97 0.00 0.00 15 A 8.70 4.11 1.34 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 16 E 8.94 3.98 0.00 2.09 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 2.43 2.51 0.00 17 D 8.11 4.61 0.00 2.79 2.81 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 0.00 0.00 0.00 18 R 7.91 4.41 0.00 2.01 2.06 0.00 3.20 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 19 L 7.83 4.45 0.00 1.67 1.78 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 20 I 9.06 4.50 2.35 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.12 0.95 0.00 0.00 21 A 8.89 4.75 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 22 F 9.36 4.83 0.00 3.18 3.32 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 23 D 8.73 4.39 0.00 2.69 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 24 Q 8.29 4.51 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.07 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 25 G 8.06 4.30 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 0.00 26 I 8.10 4.72 1.95 0.00 0.00 -0.43 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 0.44 0.80 0.00 0.00 27 P 0.00 4.52 0.00 2.08 2.05 0.00 4.01 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 28 A 9.70 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 F 8.32 5.00 0.00 3.27 3.15 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 30 E 8.29 4.35 0.00 2.12 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 2.44 2.42 0.00 31 D 8.13 4.56 0.00 2.83 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 32 E 8.40 4.30 0.00 2.47 1.88 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 2.44 2.64 0.00 33 K 8.32 4.97 0.00 1.73 1.92 0.00 1.97 0.00 0.00 1.86 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.72 1.41 7.81 34 E 7.54 5.36 0.00 2.02 1.66 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 2.28 2.41 0.00 35 F 9.51 5.36 0.00 2.98 2.82 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 36 V 8.91 4.82 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 0.82 0.00 0.00 1.05 0.00 0.00 37 L 8.62 4.83 0.00 1.63 1.66 0.24 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 38 L 9.09 4.76 0.00 1.69 1.68 1.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 4.42 0.00 1.92 1.83 0.00 3.77 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.40 0.00 40 F 9.07 4.57 0.00 2.84 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 41 A 7.67 4.09 0.55 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 42 A 8.54 4.12 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 43 G 9.20 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 0.00 0.00 0.00 44 T 7.41 4.71 4.56 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 1.30 0.00 0.00 45 P 0.00 4.95 0.00 2.17 2.21 0.00 3.83 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.54 0.00 46 Y 7.89 5.32 0.00 3.01 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 47 Y 9.16 5.48 0.00 2.81 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 48 T 9.14 5.13 4.43 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 49 L 9.15 4.97 0.00 1.63 1.62 0.90 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 8.88 5.01 0.00 2.29 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 51 S 8.85 3.80 0.00 3.52 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 52 T 8.14 4.22 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 1.18 0.00 0.00 53 K 7.67 4.30 0.00 1.63 1.80 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.21 1.29 7.81 54 T 7.76 4.44 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 1.16 0.00 0.00 55 V 8.44 3.63 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 0.62 0.00 0.00 0.89 0.00 0.00 56 D 7.88 4.29 0.00 2.55 2.62 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 0.00 57 L 7.63 4.27 0.00 1.66 1.39 -0.11 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 7.69 4.91 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 59 F 9.31 4.44 0.00 2.84 2.89 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 60 I 8.53 4.87 1.98 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 1.42 0.80 1.03 0.00 0.00 61 I 9.05 5.31 2.03 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.83 0.94 0.00 0.00 62 V 8.57 5.17 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 0.39 0.00 0.00 0.89 0.00 0.00 63 N 9.29 4.88 0.00 2.97 2.90 0.00 0.00 7.25 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 64 P 0.00 4.42 0.00 1.54 1.89 0.00 3.65 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.75 0.00 65 F 8.07 4.57 0.00 3.19 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 66 S 7.98 4.16 0.00 3.61 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 67 F 7.84 4.43 0.00 2.61 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 0.00 0.00 0.00 68 F 8.16 4.82 0.00 2.97 2.89 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 69 P 0.00 4.41 0.00 2.11 2.18 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 70 E 8.24 4.43 0.00 2.38 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 0.00 2.28 1.86 0.00 71 Y 7.98 4.51 0.00 2.85 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 72 R 8.25 4.65 0.00 2.11 1.77 0.00 3.27 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.42 0.00 73 V 8.32 4.06 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 0.80 0.00 0.00 0.48 0.00 0.00 74 K 8.52 4.29 0.00 1.77 1.74 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.43 7.81 75 L 8.32 4.26 0.00 1.62 1.61 0.91 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.43 0.00 2.15 1.96 0.00 3.62 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 77 E 8.88 3.89 0.00 2.02 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 2.38 2.40 0.00 78 A 7.92 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 79 T 7.71 3.84 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 1.19 0.00 0.00 80 I 7.82 3.65 2.03 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.95 0.92 0.00 0.00 81 A 7.87 3.96 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 82 Q 8.06 3.94 0.00 2.14 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.00 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 83 L 7.65 4.42 0.00 1.63 1.61 0.90 0.99 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 84 N 7.83 4.12 0.00 2.81 2.83 0.00 0.00 6.93 7.58 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 85 I 7.76 4.05 1.85 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 0.60 0.95 0.00 0.00 86 T 8.34 4.56 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 1.20 0.00 0.00 87 N 7.65 4.46 0.00 2.70 2.78 0.00 0.00 6.87 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 88 E 8.65 4.00 0.00 2.14 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 0.00 2.33 2.30 0.00 89 N 8.14 4.48 0.00 2.97 2.91 0.00 0.00 6.94 8.06 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 90 D 8.22 4.43 0.00 2.84 2.91 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 0.00 0.00 0.00 0.00 91 V 7.36 4.64 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 0.72 0.00 0.00 0.91 0.00 0.00 92 A 9.09 4.70 1.13 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 0.00 0.00 93 I 8.06 4.88 1.99 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 1.44 1.14 0.84 0.00 0.00 94 F 9.07 5.16 0.00 2.90 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 95 S 9.16 4.94 0.00 3.58 3.71 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 96 L 8.40 4.57 0.00 1.61 1.65 0.80 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.80 4.65 0.00 1.73 1.64 1.15 0.98 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 98 T 8.83 4.47 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 1.23 0.00 0.00 99 V 8.26 4.08 2.16 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 0.95 0.00 0.00 1.08 0.00 0.00 100 K 8.86 4.77 0.00 1.65 1.62 0.00 1.87 0.00 0.00 1.55 0.00 0.00 2.76 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.47 7.81 101 E 8.50 4.79 0.00 1.88 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 2.18 2.31 0.00 102 P 0.00 4.51 0.00 2.19 2.13 0.00 3.83 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.90 0.00 103 F 9.03 4.53 0.00 3.03 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 0.00 104 S 7.73 2.79 0.00 3.38 3.46 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 0.00 105 E 7.80 4.23 0.00 2.01 1.96 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 2.23 2.17 0.00 106 T 7.59 4.18 3.81 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 0.00 0.00 1.06 0.00 0.00 107 T 8.54 5.20 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 1.23 0.00 0.00 108 V 8.78 4.75 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 0.68 0.00 0.00 0.83 0.00 0.00 109 N 8.69 4.76 0.00 2.81 2.77 0.00 0.00 7.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.41 3.99 0.00 1.43 1.09 -0.22 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 111 Q 8.42 4.30 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.90 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 112 A 7.90 5.51 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 0.00 113 P 0.00 4.56 0.00 2.14 2.22 0.00 4.00 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 114 I 8.72 4.43 2.03 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.71 1.11 0.00 0.00 115 V 9.12 4.82 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 0.96 0.00 0.00 0.98 0.00 0.00 116 I 8.73 4.71 2.06 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 1.11 0.70 0.98 0.00 0.00 117 N 8.94 5.27 0.00 2.74 2.69 0.00 0.00 7.57 8.76 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 0.00 118 A 8.59 4.10 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 0.00 119 N 8.42 4.45 0.00 2.89 2.91 0.00 0.00 6.84 7.61 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 0.00 120 K 8.01 4.20 0.00 1.69 1.83 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.69 7.81 121 Q 7.72 3.15 0.00 2.32 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.44 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 *123 G 7.90 3.10 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 0.00 124 K 7.93 4.45 0.00 1.82 1.79 0.00 1.25 0.00 0.00 1.55 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.25 1.36 7.81 125 Q 8.69 4.98 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.48 0.00 126 L 8.78 4.67 0.00 1.77 1.49 0.92 0.97 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 0.00 127 V 8.38 4.19 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 0.86 0.00 0.00 0.95 0.00 0.00 128 L 9.02 4.30 0.00 1.71 1.65 1.01 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 129 G 8.58 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 0.00 130 D 8.71 4.60 0.00 2.80 2.75 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 0.00 131 T 7.20 4.43 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 1.23 0.00 0.00 132 A 7.70 4.66 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 0.00 133 Y 7.30 4.54 0.00 3.03 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 0.00 134 N 8.54 4.73 0.00 2.71 2.73 0.00 0.00 7.13 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 0.00 135 R 8.57 4.35 0.00 1.91 1.95 0.00 3.13 0.00 0.00 3.35 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.66 0.00 136 K 8.32 4.79 0.00 1.65 1.73 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.33 7.81 137 Q 7.89 4.02 0.00 2.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.99 0.00 0.00 0.00 0.00 0.00 1.60 2.35 0.00 138 P 0.00 4.54 0.00 2.11 2.03 0.00 3.77 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 2.06 2.10 0.00 139 L 8.88 4.05 0.00 1.49 1.77 -0.25 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 140 F 8.20 4.62 0.00 3.07 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 0.00 141 Q 8.67 4.31 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.87 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 142 K 8.72 4.54 0.00 1.79 1.81 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.49 7.81 143 E 8.40 4.57 0.00 2.10 1.88 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 2.29 2.25 0.00 144 L 8.27 4.46 0.00 1.59 1.59 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 145 V 8.32 4.19 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 0.90 0.00 0.00 0.96 0.00 0.00 146 L 8.49 4.68 0.00 1.66 1.57 0.93 0.78 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 0.00 147 A 7.94 4.56 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 0.00 148 K 7.20 5.22 0.00 1.81 1.87 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.49 7.81 * Residues marked with a * may have inaccurate shift predictions.