NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 D 4.5916 8.3644 119.5546 52.7663 41.9002 175.0117 2 V 3.8895 6.9580 121.0130 61.4544 32.6281 173.3848 3 Q 4.6747 9.7669 128.6612 54.3705 31.5181 174.0651 4 L 5.1163 8.4349 122.4205 52.8771 45.2876 175.3011 5 V 4.5148 8.8430 124.2710 61.1729 33.8663 174.2941 6 E 5.8939 9.0908 127.0535 54.8958 31.6540 175.1272 7 S 4.5646 8.7946 115.0221 58.2301 66.2937 175.1479 8 G 4.0636 8.6404 108.1335 46.2082 0.0000 173.9740 9 G 4.3463 7.0876 107.6168 43.8185 0.0000 173.9313 10 G 3.8305 7.3229 105.0805 45.4792 0.0000 171.6313 11 S 5.2057 7.9937 115.8613 57.8900 64.4161 174.4503 12 V 4.5357 8.8042 124.0496 61.2204 34.9602 174.1746 *13 Q 4.6155 8.6854 122.9120 54.5290 29.9032 174.6261 14 A 4.0953 8.5618 124.0624 54.2655 18.9210 178.1870 15 G 3.9955 9.4100 112.4452 45.1904 0.0000 174.0961 16 G 3.9911 8.2117 109.3311 44.8219 0.0000 172.3527 17 S 5.1380 8.1161 112.1369 56.9152 66.4416 173.0744 18 L 4.5874 8.5455 121.5261 53.7485 46.0404 174.2280 19 R 4.8538 8.3533 123.2716 54.5264 33.0093 173.9330 20 L 4.9264 8.5677 126.4211 53.2390 44.5364 175.6453 21 S 5.4389 9.1925 117.6282 56.9965 66.9710 172.3762 22 C 5.4133 9.5531 123.0759 54.8863 45.6062 172.2274 23 A 5.1583 9.1440 128.8337 50.1695 20.8183 175.0250 24 A 5.2454 8.7798 125.4206 50.4831 21.4989 176.5612 25 S 4.4313 9.1982 114.7456 56.8181 66.2633 173.6564 26 G 3.3016 9.0200 112.9146 44.5284 0.0000 172.9032 27 S 4.6365 6.6915 115.0777 58.3825 65.1954 175.2568 28 T 5.1580 7.7924 110.6858 61.6315 70.2594 174.5657 29 D 4.6787 8.6754 122.3039 53.5736 40.7187 178.0428 30 S 4.3418 7.8586 115.2630 60.3679 63.7962 174.3173 31 I 3.9809 7.2663 123.0690 61.6071 36.9180 174.6339 32 E 4.3537 9.1213 125.4400 57.2152 30.5361 174.8334 33 Y 5.2375 8.2570 115.5458 56.6728 41.3476 174.1833 34 M 5.1837 8.9985 122.1866 54.0013 35.0512 174.9778 35 T 5.1383 9.0509 119.7907 61.6421 73.7131 172.7355 36 W 5.0269 9.2531 124.6178 55.2721 31.4876 175.4161 37 F 5.4238 9.8969 122.9500 55.8644 42.7225 174.1758 38 R 4.9599 8.9374 115.3476 55.0571 33.3368 174.1794 39 Q 4.6440 8.8227 120.9402 54.2575 31.8935 174.4813 40 A 4.5694 8.5436 130.0317 50.6153 19.3972 174.6536 41 P 4.3007 0.0000 0.0000 64.5051 31.3792 176.7845 42 G 3.8405 9.1261 111.7750 46.3089 0.0000 173.1817 43 K 4.6444 7.9621 119.5234 51.9151 35.5691 179.8164 44 A 4.3779 8.1853 119.8576 52.2827 19.3394 177.6961 45 R 4.2737 8.3216 121.0830 56.4568 30.9967 175.7634 46 E 4.9361 9.2798 122.1556 54.2756 33.3715 174.9853 47 G 3.4047 8.8727 109.0219 46.1371 0.0000 172.5519 48 V 4.4637 8.6881 123.7048 63.8677 33.8896 175.3360 49 A 5.1224 7.7425 120.4609 50.5615 22.6255 174.4410 50 A 5.1997 9.2824 123.8565 48.9804 22.9028 174.8297 51 L 5.1665 8.9311 122.1264 53.4844 45.6572 174.6914 52 Y 4.3706 9.1475 128.8345 56.5648 38.9824 176.0521 53 T 3.9352 8.0235 118.7635 63.9564 69.0178 175.1018 54 H 4.5141 6.8442 117.1870 56.3087 29.2255 175.4585 55 T 4.5150 7.4265 106.9256 60.0387 70.1287 175.1139 56 G 3.9439 8.5594 109.6530 45.2720 0.0000 173.3797 57 N 4.6158 8.1314 118.1221 53.4252 39.5934 174.2495 58 T 4.9136 7.9401 111.3748 60.0568 72.3735 172.7162 59 Y 4.7690 8.5162 119.8411 56.6313 42.0118 173.9995 60 Y 5.3008 8.6941 120.5645 56.2035 41.9150 175.3559 61 T 4.1335 8.7975 117.2398 61.9698 68.5120 175.0115 62 D 4.4278 9.1241 127.6506 57.7376 40.9473 179.1850 63 S 4.2707 8.0580 110.7752 60.0420 63.1365 174.7411 64 V 3.8716 7.5213 113.1264 60.3485 32.8981 175.6087 65 K 3.6865 7.4725 120.0921 58.1127 32.1439 176.8695 66 G 3.9739 8.7250 112.3221 45.0088 0.0000 173.9642 67 R 4.4857 8.0723 117.9135 56.7459 32.2626 176.4527 68 F 5.6171 8.0800 115.6504 56.0096 41.9867 175.5534 69 T 4.8280 8.9780 118.3297 61.9609 72.0998 172.5903 70 I 5.1902 9.2144 127.5381 59.6446 40.0685 174.5210 71 S 5.0121 9.1742 122.5612 57.3638 67.2512 171.8646 72 Q 4.9401 8.4979 116.5963 55.2091 32.7427 173.7178 73 D 4.9274 9.0653 120.3513 52.4213 41.2290 175.9468 74 K 3.7735 8.6669 124.5357 57.1719 32.1924 179.2883 75 A 4.0390 8.1011 120.9642 54.5633 18.3216 178.1530 76 K 4.3443 8.2376 112.2424 55.4484 32.7309 176.0865 77 N 4.1227 7.7930 116.0953 54.9909 36.7891 173.4100 78 M 5.1260 7.7679 115.5554 53.4346 35.7269 176.1183 79 A 5.0766 8.6893 123.3337 50.3737 22.9033 174.6459 80 Y 5.4097 9.5003 118.3659 56.1308 42.4936 174.7305 81 L 4.8909 8.8918 124.6766 53.2795 44.6159 175.3221 82 R 4.3273 9.1185 129.1419 55.5923 31.3965 175.2863 83 M 3.8811 8.7563 128.4622 54.0190 32.7816 174.9472 84 D 4.9894 8.9911 124.4144 52.6871 43.1356 176.8216 85 S 3.8870 8.4108 113.9545 58.0266 60.9104 172.5371 86 V 4.1742 7.8498 113.6469 61.7676 32.5722 176.1730 87 K 4.9992 9.3900 120.9129 54.1378 35.7784 177.7920 88 S 4.2025 8.6998 115.2676 61.4285 62.8102 176.4263 89 E 4.1299 8.1036 117.4622 58.5544 29.4909 177.2549 90 D 4.7299 8.2518 118.7169 55.7174 41.2417 176.6088 91 T 4.3135 7.8197 116.8361 63.7865 69.0022 173.6572 92 A 4.3209 8.4769 127.3521 52.0786 24.0126 174.5641 93 I 4.7479 7.7827 120.0581 60.8000 38.7172 175.1349 94 Y 5.1067 9.5868 125.9161 57.0817 39.9294 174.9653 95 T 5.3505 9.4958 120.5033 61.9996 72.7511 172.1823 96 C 4.4608 9.5349 126.1975 55.4759 42.6123 172.5721 97 G 3.8438 8.9316 111.6106 44.4780 0.0000 170.9572 98 A 5.9002 8.6369 121.0172 51.5090 23.4640 175.2732 99 T 4.9534 8.5195 107.7240 60.0485 72.6557 174.3951 100 R 5.1365 8.6348 119.8367 55.0248 30.9290 175.9292 101 K 4.7796 7.7477 115.4701 54.4486 36.1078 175.7616 102 Y 4.4632 8.6277 122.4587 57.7135 39.4565 175.3953 103 V 4.1980 6.9298 123.7975 59.8717 34.5413 173.5640 104 P 4.2832 0.0000 0.0000 62.5237 32.0954 177.2668 105 V 3.1063 8.4907 122.0846 65.8949 31.3972 178.2894 106 R 3.6954 7.5798 114.3580 58.1311 29.4884 176.9965 107 F 5.1821 7.9691 115.6620 56.3314 39.3806 176.9328 108 A 3.8019 7.7500 124.8637 54.0015 18.1910 178.9137 109 L 4.5538 7.9159 114.7019 54.3502 41.9715 174.9682 110 D 5.1455 8.2781 122.7373 53.2896 42.3126 178.1570 111 Q 4.0663 9.2933 123.0230 58.2178 28.1591 175.7757 112 S 4.4459 8.1033 110.7411 60.3832 63.1568 175.0402 113 S 4.2169 8.2002 116.4664 59.5582 62.9976 173.4499 114 Y 4.2851 7.8212 118.5902 56.2925 39.2766 175.2200 115 D 4.6088 8.2664 122.1892 54.5971 42.6525 176.0809 116 Y 4.8828 7.5324 115.9784 55.8262 41.6589 174.7345 117 W 5.4805 8.8367 121.8151 55.1967 33.4449 175.9052 118 G 4.2694 8.8686 110.2817 45.8085 0.0000 172.8860 119 Q 4.4928 9.2679 116.8615 55.4918 30.0934 176.9924 120 G 4.1995 9.3234 104.0411 45.7539 0.0000 172.7039 121 T 4.7738 9.0608 114.9296 60.0047 71.2922 172.5154 122 Q 4.6775 8.7656 129.2729 55.6521 30.9640 174.2899 123 V 4.8650 8.9625 125.7983 61.4332 34.6595 174.0503 124 T 4.8055 8.9338 124.7279 61.7974 71.3087 174.7164 125 V 4.9252 8.4211 125.1751 62.3080 31.5275 175.2738 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 *1 D 8.36 4.59 0.00 2.44 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 2 V 6.96 3.89 0.71 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 0.65 0.00 0.00 0.32 0.00 0.00 3 Q 9.77 4.67 0.00 2.14 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.52 0.00 0.00 0.00 0.00 0.00 2.30 2.19 0.00 4 L 8.43 5.12 0.00 1.61 1.43 0.88 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.84 4.51 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 1.07 0.00 0.00 0.94 0.00 0.00 6 E 9.09 5.89 0.00 2.05 2.20 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 2.51 2.20 0.00 7 S 8.79 4.56 0.00 3.91 3.98 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 0.00 0.00 0.00 8 G 8.64 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 0.00 0.00 0.00 9 G 7.09 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 0.00 0.00 0.00 0.00 10 G 7.32 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 11 S 7.99 5.21 0.00 3.76 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 12 V 8.80 4.54 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 0.60 0.00 0.00 0.95 0.00 0.00 *13 Q 8.69 4.62 0.00 1.77 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.05 0.00 0.00 0.00 0.00 0.00 2.35 1.93 0.00 14 A 8.56 4.10 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 15 G 9.41 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 0.00 0.00 0.00 16 G 8.21 3.99 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 0.00 0.00 0.00 17 S 8.12 5.14 0.00 3.80 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 18 L 8.55 4.59 0.00 1.65 1.22 0.92 0.60 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 19 R 8.35 4.85 0.00 1.74 1.64 0.00 3.39 0.00 0.00 3.39 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.44 0.00 20 L 8.57 4.93 0.00 0.64 1.02 -0.03 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 21 S 9.19 5.44 0.00 3.87 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 22 C 9.55 5.41 0.00 2.40 2.80 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 23 A 9.14 5.16 1.20 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 0.00 0.00 24 A 8.78 5.25 1.15 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 25 S 9.20 4.43 0.00 3.82 3.88 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 26 G 9.02 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 0.00 0.00 0.00 27 S 6.69 4.64 0.00 3.74 3.64 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 0.00 0.00 0.00 0.00 28 T 7.79 5.16 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 1.18 0.00 0.00 29 D 8.68 4.68 0.00 2.88 2.84 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 30 S 7.86 4.34 0.00 4.04 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 31 I 7.27 3.98 1.95 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.45 0.87 0.00 0.00 32 E 9.12 4.35 0.00 2.15 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 0.00 2.57 2.66 0.00 33 Y 8.26 5.24 0.00 3.08 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 34 M 9.00 5.18 0.00 1.82 1.92 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.57 0.00 35 T 9.05 5.14 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 0.73 0.00 0.00 36 W 9.25 5.03 0.00 3.34 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 37 F 9.90 5.42 0.00 3.32 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 38 R 8.94 4.96 0.00 0.87 1.15 0.00 2.52 0.00 0.00 2.99 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.42 0.00 39 Q 8.82 4.64 0.00 2.07 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.00 0.00 0.00 0.00 0.00 0.00 2.21 2.41 0.00 40 A 8.54 4.57 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.30 0.00 2.19 2.11 0.00 3.88 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 2.01 2.00 0.00 42 G 9.13 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 43 K 7.96 4.64 0.00 1.74 1.55 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.27 1.21 7.81 44 A 8.19 4.38 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 45 R 8.32 4.27 0.00 1.69 1.76 0.00 2.71 0.00 0.00 2.71 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.69 0.00 46 E 9.28 4.94 0.00 2.05 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 2.29 2.27 0.00 47 G 8.87 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 0.00 0.00 0.00 48 V 8.69 4.46 2.46 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 1.33 0.00 0.00 1.07 0.00 0.00 49 A 7.74 5.12 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 50 A 9.28 5.20 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 51 L 8.93 5.17 0.00 1.77 1.69 0.96 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 9.15 4.37 0.00 2.92 2.90 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 53 T 8.02 3.94 3.96 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 1.09 0.00 0.00 54 H 6.84 4.51 0.00 3.03 3.36 0.00 5.64 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 55 T 7.43 4.51 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 1.44 0.00 0.00 56 G 8.56 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 57 N 8.13 4.62 0.00 2.85 2.57 0.00 0.00 6.49 7.11 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 58 T 7.94 4.91 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 1.26 0.00 0.00 59 Y 8.52 4.77 0.00 2.93 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 60 Y 8.69 5.30 0.00 2.86 2.84 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 61 T 8.80 4.13 4.45 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 1.22 0.00 0.00 62 D 9.12 4.43 0.00 2.75 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 63 S 8.06 4.27 0.00 3.91 3.96 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 64 V 7.52 3.87 1.06 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 0.25 0.00 0.00 1.01 0.00 0.00 65 K 7.47 3.69 0.00 1.67 1.69 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.19 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.53 1.74 7.81 66 G 8.73 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 0.00 0.00 0.00 67 R 8.07 4.49 0.00 1.75 2.29 0.00 3.26 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 0.00 68 F 8.08 5.62 0.00 2.78 2.98 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 0.00 0.00 0.00 69 T 8.98 4.83 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 1.32 0.00 0.00 70 I 9.21 5.19 2.09 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.34 0.87 0.00 0.00 71 S 9.17 5.01 0.00 4.00 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 72 Q 8.50 4.94 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.98 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 73 D 9.07 4.93 0.00 2.93 2.59 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 74 K 8.67 3.77 0.00 1.72 1.84 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.46 1.04 7.81 75 A 8.10 4.04 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 76 K 8.24 4.34 0.00 2.08 1.84 0.00 1.98 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.40 1.26 7.81 77 N 7.79 4.12 0.00 2.93 2.77 0.00 0.00 6.82 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 78 M 7.77 5.13 0.00 1.34 1.75 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.64 0.00 79 A 8.69 5.08 1.14 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 0.00 0.00 80 Y 9.50 5.41 0.00 2.88 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 81 L 8.89 4.89 0.00 0.34 0.45 1.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 82 R 9.12 4.33 0.00 1.86 1.87 0.00 3.18 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.81 0.00 83 M 8.76 3.88 0.00 1.20 1.59 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.81 0.00 84 D 8.99 4.99 0.00 2.74 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 85 S 8.41 3.89 0.00 3.94 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 86 V 7.85 4.17 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 0.70 0.00 0.00 1.01 0.00 0.00 87 K 9.39 5.00 0.00 1.73 1.67 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.35 7.81 88 S 8.70 4.20 0.00 4.02 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 89 E 8.10 4.13 0.00 2.11 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 2.29 2.34 0.00 90 D 8.25 4.73 0.00 2.96 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 91 T 7.82 4.31 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 1.30 0.00 0.00 92 A 8.48 4.32 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 93 I 7.78 4.75 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.86 1.00 0.00 0.00 94 Y 9.59 5.11 0.00 3.05 3.24 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 95 T 9.50 5.35 4.48 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 1.54 0.00 0.00 96 C 9.53 4.46 0.00 1.87 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 97 G 8.93 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 98 A 8.64 5.90 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 99 T 8.52 4.95 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 0.72 0.00 0.00 100 R 8.63 5.14 0.00 1.95 2.01 0.00 2.99 0.00 0.00 2.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 101 K 7.75 4.78 0.00 1.95 1.69 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.33 0.97 7.81 102 Y 8.63 4.46 0.00 2.98 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 0.00 103 V 6.93 4.20 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 0.56 0.00 0.00 0.59 0.00 0.00 104 P 0.00 4.28 0.00 2.21 1.96 0.00 3.77 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 2.37 2.19 0.00 105 V 8.49 3.11 1.94 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 0.57 0.00 0.00 0.82 0.00 0.00 106 R 7.58 3.70 0.00 1.46 1.70 0.00 2.43 0.00 0.00 2.74 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.50 0.00 107 F 7.97 5.18 0.00 2.95 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 0.00 108 A 7.75 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 L 7.92 4.55 0.00 1.72 1.63 0.99 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 110 D 8.28 5.15 0.00 3.01 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 0.00 111 Q 9.29 4.07 0.00 1.97 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.93 0.00 0.00 0.00 0.00 0.00 2.37 1.94 0.00 112 S 8.10 4.45 0.00 3.94 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 0.00 113 S 8.20 4.22 0.00 3.89 3.56 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 0.00 114 Y 7.82 4.29 0.00 2.40 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 0.00 0.00 0.00 115 D 8.27 4.61 0.00 1.87 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 0.00 0.00 0.00 0.00 116 Y 7.53 4.88 0.00 2.87 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 0.00 117 W 8.84 5.48 0.00 3.10 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 0.00 118 G 8.87 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 0.00 0.00 0.00 0.00 119 Q 9.27 4.49 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.38 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 120 G 9.32 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 0.00 0.00 0.00 0.00 121 T 9.06 4.77 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 1.44 0.00 0.00 122 Q 8.77 4.68 0.00 2.29 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.62 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 123 V 8.96 4.87 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 0.84 0.00 0.00 0.60 0.00 0.00 124 T 8.93 4.81 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 0.00 125 V 8.42 4.93 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 0.92 0.00 0.00 1.02 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.