NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 F 4.8248 8.3093 115.8776 57.1224 40.3991 177.2076 11 H 3.9015 5.2900 117.3828 54.1459 28.8715 171.5527 12 E 3.9108 9.4480 122.0760 57.4034 30.1774 176.8018 13 M 4.6010 8.5005 115.1607 54.9935 32.5682 176.2471 14 R 4.5703 7.7606 116.5697 55.5516 32.3627 175.5522 15 E 4.1463 7.9181 117.3869 54.8383 30.4568 174.5310 16 P 4.2874 0.0000 0.0000 63.2450 32.2058 175.0764 17 R 4.1564 7.5885 114.7602 55.4935 33.0110 173.7568 18 I 4.2513 8.4360 121.6448 60.6177 38.2575 174.9947 19 E 4.4839 8.7488 128.9561 54.4528 31.2115 171.9974 20 K 4.5800 8.7246 132.3995 55.3637 34.1105 174.6071 21 V 4.5636 7.8407 119.5405 61.2553 34.8509 174.0278 22 V 4.3012 8.3757 128.9898 61.6797 32.9821 175.0425 23 V 5.0271 8.2113 123.0128 59.4662 33.0324 174.8139 24 H 5.2334 8.5425 124.8776 54.6252 33.5244 172.0172 25 M 4.3760 8.5770 124.8347 53.2342 33.0582 175.0496 26 G 4.0979 7.9064 111.9065 46.3027 0.0000 171.1581 27 I 4.1324 7.6631 126.4150 60.4542 39.5790 176.3613 28 G 4.0686 7.6900 111.6746 45.4808 0.0000 172.6033 29 H 4.4499 7.8344 116.7630 55.4561 30.3935 173.7062 *35 A 4.2123 7.0703 123.1204 52.0037 19.2912 176.1540 36 N 4.1789 8.8603 111.5969 56.4385 36.6465 176.6544 37 A 4.0379 8.0031 122.6715 54.7487 18.3402 178.8205 38 E 3.8893 8.4435 117.8654 60.1819 29.4825 179.2838 39 D 4.4497 7.5209 118.7645 57.6679 40.8602 179.7159 40 I 3.7656 7.5919 113.3987 63.9662 37.5600 178.2026 41 L 4.0945 7.8833 120.4912 57.4935 41.4479 179.4789 42 G 3.6213 8.4689 106.1370 47.7138 0.0000 175.5043 43 E 4.1038 7.7775 120.0141 58.8012 29.7715 178.6471 44 I 3.9488 8.1742 118.6258 63.1607 38.0603 176.7691 45 T 4.5817 7.8242 108.6694 64.3183 70.0513 175.0495 46 G 3.9639 7.2912 108.1204 44.3587 0.0000 173.3993 47 Q 4.5742 7.7614 115.5027 54.2710 31.6424 174.1603 48 M 3.7724 8.4293 118.6425 55.1060 32.5859 174.6476 49 P 4.8563 0.0000 0.0000 61.6798 33.5021 175.1317 50 V 4.4593 8.2764 120.7886 60.8060 34.2523 175.3918 51 R 4.3592 8.7328 125.7642 57.2461 31.1977 176.7546 52 T 4.4936 8.6170 117.7255 61.4730 70.3106 173.9858 53 K 5.3521 8.7912 124.7084 55.6983 33.2344 175.8648 54 A 4.8863 8.9093 123.0164 50.2174 22.0235 175.8666 55 K 4.4740 8.5010 117.9413 55.6201 34.7439 175.8408 56 R 4.2670 8.4991 120.8029 56.6195 29.4548 175.8401 57 T 4.5870 8.2021 117.0407 62.4292 69.9598 174.5232 58 V 4.5374 8.7816 124.9939 60.8365 35.0563 175.6180 59 G 3.8252 8.8798 112.5403 48.7177 0.0000 174.8606 60 E 4.2555 8.0976 118.5603 58.2753 28.2836 176.0809 61 F 4.1496 7.7635 112.9177 60.2381 38.8810 174.9836 62 D 4.9273 7.8524 118.3121 51.8051 40.1548 175.6045 63 I 4.3519 7.6637 114.4469 60.9407 39.5095 177.3221 64 R 3.8746 7.8992 121.8073 56.1439 29.5048 174.7918 65 E 3.9553 8.1850 128.8432 58.4088 30.3085 176.1202 66 G 3.8702 7.9053 109.9666 46.5999 0.0000 171.9625 67 D 4.5377 8.2826 121.6157 51.6051 42.4352 173.4972 68 P 4.6174 0.0000 0.0000 62.5105 31.8173 176.4661 69 I 4.5719 9.1967 125.9096 59.0824 39.8525 175.0891 70 G 4.4923 7.4895 108.1637 43.4906 0.0000 172.1296 71 A 5.8668 8.0621 121.0291 49.3196 23.2817 174.9798 72 K 5.0720 8.2906 116.6071 55.7480 37.0408 175.4824 73 V 4.5932 8.5066 120.4202 61.7279 34.8840 173.4709 74 T 4.7993 8.5442 118.8002 60.3646 70.0285 173.8796 75 L 4.8007 8.3983 126.6964 52.8769 44.4256 175.9011 76 R 4.7755 7.9504 120.1104 54.6874 34.1957 176.4513 77 D 4.3905 8.9303 120.3247 55.6638 39.0659 176.4697 78 E 3.9631 8.9540 123.8882 61.0032 28.3330 178.3918 79 M 4.1855 8.2621 117.7821 58.3642 31.8503 178.4171 80 A 4.3024 7.9157 120.6642 54.6794 18.9204 179.3758 81 E 3.9476 8.0003 116.6292 59.6653 29.6267 179.0641 82 E 3.9825 8.4540 118.0279 58.8598 29.8385 178.9220 83 F 4.4092 7.5313 117.5483 60.6863 39.9662 177.6043 84 L 4.2836 8.2305 118.0601 57.1893 41.0651 178.7568 85 Q 4.1365 8.0257 116.4245 56.4338 28.3782 176.2036 86 T 4.5570 7.5676 108.7278 62.4674 74.1295 175.2824 87 A 4.0085 7.8246 125.7578 55.1575 19.0055 179.1310 88 L 3.6154 8.2274 115.1309 57.5752 41.7663 178.1807 89 P 4.3040 0.0000 0.0000 65.4748 31.2634 177.0647 90 L 4.4066 7.9354 115.8106 54.4478 41.5853 176.0664 91 A 4.8471 8.2162 121.4667 50.4897 22.0024 175.3514 92 E 4.4254 8.3635 116.8655 58.5883 31.6940 176.5876 93 L 3.7357 6.8375 116.3145 52.7131 43.4358 175.7206 94 A 4.4736 8.5854 122.4515 52.5313 21.1556 174.8501 95 T 3.1941 8.8000 110.8422 62.7741 69.3924 173.8777 96 S 3.7955 8.6886 119.1896 60.5675 63.3174 173.4041 97 Q 4.5646 10.7000 119.3702 55.8178 28.5127 174.5935 98 F 4.9934 7.6909 114.4333 55.0230 41.2601 175.0508 99 D 4.6772 10.0551 123.2408 54.3991 41.6312 175.9772 100 D 4.6912 8.5427 119.9984 55.4032 41.2404 177.5213 101 T 4.5734 7.2060 113.8561 62.2519 68.9464 174.5638 102 G 3.9480 8.3335 108.8459 46.4385 0.0000 172.8787 103 N 5.4382 7.7552 116.0879 51.2574 42.7298 173.4283 104 F 4.7333 7.5792 109.4362 56.2861 41.2030 172.9980 105 S 5.0812 8.2558 117.3168 56.4542 64.8762 172.8361 106 F 4.9419 8.6425 120.7150 55.2942 41.5669 172.7708 107 G 4.2766 8.9813 102.1456 44.4460 0.0000 173.6115 *128 L 4.0129 8.5236 123.6392 55.1435 43.6227 176.1505 129 D 4.9549 8.5739 125.9928 52.8961 43.8990 176.2581 130 V 4.0649 7.9769 120.9050 61.8851 34.3503 173.9042 131 T 4.5872 8.4495 125.2380 61.7649 71.2396 174.3365 132 V 4.2963 7.7317 124.4673 61.0685 34.3443 173.7098 133 N 4.6583 8.5809 127.5790 52.5106 40.0632 173.6206 134 L 5.2812 8.2259 125.9688 53.2684 44.7862 175.8010 135 V 4.2857 7.8839 120.8841 61.3186 35.2076 171.7289 136 R 4.4988 8.0669 116.4988 54.7207 31.5986 177.1441 137 P 3.9995 0.0000 0.0000 65.1250 32.2732 177.0214 138 G 4.1745 7.8697 107.1929 45.9237 0.0000 175.4171 139 Y 4.2111 8.1556 122.8715 60.1127 38.9000 175.8382 140 R 3.9055 8.2573 119.4267 59.6279 29.8615 178.0864 141 V 3.4929 7.4359 116.6866 65.1012 31.1330 176.6939 142 A 4.7878 7.6500 119.0982 50.8043 19.6125 176.7738 143 K 4.2818 7.7973 115.9227 55.7335 33.7179 176.5476 144 R 4.3661 7.5227 115.4525 55.0246 31.0861 176.5411 145 D 4.4306 8.4849 117.4773 57.1711 40.8404 177.6779 146 K 4.0490 7.9391 118.4439 57.4029 32.7089 176.9126 147 A 3.6180 8.7342 124.1852 52.4035 16.2773 176.9438 148 S 4.5006 7.1480 112.5718 60.9542 63.7598 173.3634 149 R 4.5520 8.7583 118.6776 55.3136 33.8043 173.5365 150 S 4.4888 8.5696 119.5287 57.5484 63.3365 173.8723 151 I 3.8104 8.3736 128.1860 60.6788 37.4297 174.2356 152 P 4.3869 0.0000 0.0000 62.8246 32.1457 177.2301 153 T 3.9223 8.7608 111.8008 64.9684 68.7733 176.4675 154 K 3.9193 8.1645 120.1706 59.5269 32.0825 177.2220 155 H 4.5117 7.8697 115.1496 56.5916 29.8209 175.1893 156 R 4.2521 7.6449 117.5497 56.3146 30.5840 175.2723 157 L 4.4918 8.1491 120.9513 53.8804 43.2197 175.7924 158 N 4.6895 8.1673 123.4478 51.7453 41.0095 174.4585 159 P 4.3213 0.0000 0.0000 65.9486 31.4319 178.7315 160 A 3.8607 7.9058 118.7434 55.3699 18.5022 179.1580 161 D 4.4272 8.2140 116.1053 56.7650 40.8366 178.9833 162 A 4.1814 7.6210 121.5443 54.8918 19.0021 179.3018 163 V 3.1593 7.5318 116.5063 66.2704 31.2973 177.6870 164 A 3.8931 7.8956 120.0296 55.2914 17.9866 178.8804 165 F 4.1306 7.6424 117.0159 61.8594 39.6414 177.4404 166 I 3.5111 7.8897 118.6658 64.4193 36.8350 177.9154 167 E 4.5343 8.2468 120.3531 58.5092 29.3734 177.5411 168 S 4.5477 8.0432 112.0813 57.8999 64.8242 175.0535 169 T 4.7542 7.9420 112.8309 62.6759 70.6093 173.2266 170 Y 3.3983 7.9525 116.4395 57.9946 35.2395 169.0286 171 D 4.4162 6.9313 117.3287 54.1000 43.7390 175.3700 172 V 4.7417 8.0026 117.0338 61.2727 35.7131 178.3968 173 E 4.3722 9.0775 122.7229 56.3419 28.7674 177.3244 174 V 3.9532 7.7773 116.6591 63.7327 31.7623 175.0797 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 10 F 8.31 4.82 0.00 3.22 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 11 H 5.29 3.90 0.00 3.13 2.41 0.00 5.55 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 9.45 3.91 0.00 1.63 1.85 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 2.07 2.17 0.00 13 M 8.50 4.60 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 14 R 7.76 4.57 0.00 1.79 1.98 0.00 3.43 0.00 0.00 3.40 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 15 E 7.92 4.15 0.00 2.15 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 0.00 2.32 2.29 0.00 16 P 0.00 4.29 0.00 1.03 1.64 0.00 3.64 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 1.98 1.99 0.00 17 R 7.59 4.16 0.00 1.72 1.82 0.00 2.73 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.46 0.00 18 I 8.44 4.25 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 1.45 0.92 0.97 0.00 0.00 19 E 8.75 4.48 0.00 1.84 1.70 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 2.19 2.21 0.00 20 K 8.72 4.58 0.00 2.09 1.96 0.00 1.62 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.34 1.30 7.81 21 V 7.84 4.56 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 0.98 0.00 0.00 0.96 0.00 0.00 22 V 8.38 4.30 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 0.81 0.00 0.00 0.84 0.00 0.00 23 V 8.21 5.03 1.93 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 0.20 0.00 0.00 0.70 0.00 0.00 24 H 8.54 5.23 0.00 3.15 2.98 0.00 5.62 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 M 8.58 4.38 0.00 1.91 1.88 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 26 G 7.91 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 27 I 7.66 4.13 1.76 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 1.10 0.75 0.74 0.00 0.00 28 G 7.69 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 29 H 7.83 4.45 0.00 3.14 3.33 0.00 5.76 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *35 A 7.07 4.21 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 36 N 8.86 4.18 0.00 2.92 3.13 0.00 0.00 5.87 7.46 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 37 A 8.00 4.04 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 38 E 8.44 3.89 0.00 1.99 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 2.32 2.50 0.00 39 D 7.52 4.45 0.00 2.64 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 40 I 7.59 3.77 1.88 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 1.71 1.08 0.92 0.00 0.00 41 L 7.88 4.09 0.00 1.92 1.73 0.87 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.47 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 0.00 0.00 0.00 0.00 43 E 7.78 4.10 0.00 1.93 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 2.34 2.51 0.00 44 I 8.17 3.95 2.01 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.86 1.08 0.00 0.00 45 T 7.82 4.58 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 0.95 0.00 0.00 46 G 7.29 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 0.00 0.00 0.00 47 Q 7.76 4.57 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.59 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 48 M 8.43 3.77 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.60 0.00 49 P 0.00 4.86 0.00 1.91 1.94 0.00 3.60 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.05 0.00 50 V 8.28 4.46 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 1.04 0.00 0.00 0.91 0.00 0.00 51 R 8.73 4.36 0.00 1.72 1.85 0.00 3.35 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 52 T 8.62 4.49 4.37 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 1.21 0.00 0.00 53 K 8.79 5.35 0.00 1.63 1.73 0.00 1.72 0.00 0.00 2.36 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.28 7.81 54 A 8.91 4.89 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 55 K 8.50 4.47 0.00 1.72 1.71 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.41 7.81 56 R 8.50 4.27 0.00 1.99 2.02 0.00 3.20 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 57 T 8.20 4.59 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 1.24 0.00 0.00 58 V 8.78 4.54 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 0.99 0.00 0.00 0.94 0.00 0.00 59 G 8.88 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 0.00 0.00 0.00 60 E 8.10 4.26 0.00 2.14 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 2.31 2.34 0.00 61 F 7.76 4.15 0.00 3.04 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 62 D 7.85 4.93 0.00 2.91 2.55 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 63 I 7.66 4.35 1.93 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.86 1.05 0.00 0.00 64 R 7.90 3.87 0.00 1.77 2.02 0.00 3.20 0.00 0.00 3.11 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 65 E 8.18 3.96 0.00 1.97 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 2.29 2.30 0.00 66 G 7.91 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 67 D 8.28 4.54 0.00 2.64 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 68 P 0.00 4.62 0.00 1.94 2.03 0.00 3.61 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 2.01 2.10 0.00 69 I 9.20 4.57 1.95 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 1.14 1.11 0.94 0.00 0.00 70 G 7.49 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 71 A 8.06 5.87 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 72 K 8.29 5.07 0.00 1.74 1.86 0.00 1.42 0.00 0.00 1.69 0.00 0.00 2.76 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.38 7.81 73 V 8.51 4.59 1.92 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 0.85 0.00 0.00 0.86 0.00 0.00 74 T 8.54 4.80 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 1.15 0.00 0.00 75 L 8.40 4.80 0.00 1.48 1.51 0.52 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 76 R 7.95 4.78 0.00 1.62 1.77 0.00 3.31 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 77 D 8.93 4.39 0.00 2.89 2.30 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 78 E 8.95 3.96 0.00 2.02 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 2.42 2.42 0.00 79 M 8.26 4.19 0.00 2.02 2.28 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.58 0.00 80 A 7.92 4.30 1.41 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 0.00 0.00 81 E 8.00 3.95 0.00 2.16 1.99 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 2.45 2.63 0.00 82 E 8.45 3.98 0.00 2.00 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 0.00 2.36 2.51 0.00 83 F 7.53 4.41 0.00 3.27 3.26 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 84 L 8.23 4.28 0.00 2.01 1.81 1.10 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 8.03 4.14 0.00 1.92 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.73 0.00 0.00 0.00 0.00 0.00 2.19 2.48 0.00 86 T 7.57 4.56 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 1.14 0.00 0.00 87 A 7.82 4.01 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 88 L 8.23 3.62 0.00 1.73 1.67 0.96 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.30 0.00 2.00 2.12 0.00 3.66 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 2.00 2.12 0.00 90 L 7.94 4.41 0.00 1.82 1.73 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.22 4.85 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 92 E 8.36 4.43 0.00 1.93 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 2.19 2.28 0.00 93 L 6.84 3.74 0.00 1.70 1.87 1.02 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.59 4.47 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 95 T 8.80 3.19 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 1.13 0.00 0.00 96 S 8.69 3.80 0.00 4.23 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 97 Q 10.70 4.56 0.00 2.21 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 98 F 7.69 4.99 0.00 3.01 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 99 D 10.06 4.68 0.00 2.82 2.86 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 0.00 100 D 8.54 4.69 0.00 2.73 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 0.00 101 T 7.21 4.57 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 1.24 0.00 0.00 102 G 8.33 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 0.00 0.00 0.00 103 N 7.76 5.44 0.00 2.87 2.78 0.00 0.00 6.59 8.13 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 0.00 104 F 7.58 4.73 0.00 2.48 1.67 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 0.00 105 S 8.26 5.08 0.00 3.75 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 0.00 106 F 8.64 4.94 0.00 3.17 3.19 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 0.00 107 G 8.98 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 0.00 0.00 0.00 *128 L 8.52 4.01 0.00 1.75 1.60 0.94 1.16 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 0.00 129 D 8.57 4.95 0.00 2.72 2.44 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 0.00 130 V 7.98 4.06 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 0.00 0.00 0.87 0.00 0.00 0.94 0.00 0.00 131 T 8.45 4.59 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 1.04 0.00 0.00 132 V 7.73 4.30 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 1.07 0.00 0.00 0.77 0.00 0.00 133 N 8.58 4.66 0.00 2.78 2.88 0.00 0.00 6.60 6.95 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 0.00 134 L 8.23 5.28 0.00 1.77 1.53 1.34 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 135 V 7.88 4.29 1.56 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 0.35 0.00 0.00 0.73 0.00 0.00 136 R 8.07 4.50 0.00 1.81 1.96 0.00 2.94 0.00 0.00 3.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.43 0.00 137 P 0.00 4.00 0.00 2.29 2.12 0.00 3.63 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 1.91 2.11 0.00 138 G 7.87 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 0.00 0.00 0.00 0.00 139 Y 8.16 4.21 0.00 3.19 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 0.00 140 R 8.26 3.91 0.00 1.93 1.94 0.00 3.25 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 141 V 7.44 3.49 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 1.00 0.00 0.00 0.95 0.00 0.00 142 A 7.65 4.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 K 7.80 4.28 0.00 1.59 1.76 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.79 1.43 7.81 144 R 7.52 4.37 0.00 1.88 1.91 0.00 3.09 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.60 0.00 145 D 8.48 4.43 0.00 2.67 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 0.00 146 K 7.94 4.05 0.00 1.80 1.70 0.00 1.80 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.42 7.81 147 A 8.73 3.62 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 0.00 148 S 7.15 4.50 0.00 3.86 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 0.00 149 R 8.76 4.55 0.00 1.85 1.72 0.00 3.12 0.00 0.00 3.08 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 150 S 8.57 4.49 0.00 3.91 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 0.00 151 I 8.37 3.81 1.98 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.14 1.05 0.00 0.00 152 P 0.00 4.39 0.00 2.21 2.01 0.00 3.66 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 153 T 8.76 3.92 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 0.00 154 K 8.16 3.92 0.00 1.79 1.95 0.00 1.66 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.52 7.81 155 H 7.87 4.51 0.00 3.06 3.36 0.00 5.94 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 0.00 156 R 7.64 4.25 0.00 2.09 1.88 0.00 3.42 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.75 0.00 157 L 8.15 4.49 0.00 1.67 1.74 0.89 0.57 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 0.00 158 N 8.17 4.69 0.00 2.93 2.72 0.00 0.00 6.58 7.91 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 0.00 159 P 0.00 4.32 0.00 2.16 2.25 0.00 3.62 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.47 0.00 160 A 7.91 3.86 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 0.00 161 D 8.21 4.43 0.00 2.71 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 0.00 162 A 7.62 4.18 1.58 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 0.00 0.00 163 V 7.53 3.16 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 0.62 0.00 0.00 0.19 0.00 0.00 164 A 7.90 3.89 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 0.00 165 F 7.64 4.13 0.00 3.15 3.37 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 0.00 166 I 7.89 3.51 1.86 0.00 0.00 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 1.67 1.01 0.89 0.00 0.00 167 E 8.25 4.53 0.00 1.87 1.99 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 2.27 2.19 0.00 168 S 8.04 4.55 0.00 3.86 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 0.00 169 T 7.94 4.75 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 1.15 0.00 0.00 170 Y 7.95 3.40 0.00 3.01 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 0.00 171 D 6.93 4.42 0.00 2.87 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 0.00 172 V 8.00 4.74 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 0.00 173 E 9.08 4.37 0.00 1.96 1.39 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 0.00 2.43 2.20 0.00 174 V 7.78 3.95 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 0.99 0.00 0.00 0.89 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.