NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7272 8.2133 109.7354 45.3806 0.0000 175.4613 *23 N 4.5876 8.9387 117.0094 52.5127 40.5137 173.8577 24 I 3.7975 8.1648 120.0401 61.6937 37.4746 175.6210 25 E 4.4972 8.6660 124.6341 55.9473 31.8398 176.2969 26 S 3.9526 8.6332 118.4364 57.7959 60.4480 173.3226 27 I 3.6670 7.5498 120.3610 64.1623 38.0090 176.1532 28 E 4.5596 8.1086 119.1019 58.7802 29.0666 178.3284 29 N 4.5695 8.3951 116.4716 54.8671 38.6349 175.9351 30 L 4.5765 7.7737 119.3171 54.5051 42.5226 176.5720 31 Q 4.5041 7.9748 118.1989 55.3614 29.7147 176.8893 32 G 4.0104 7.9804 106.2185 44.5326 0.0000 173.1273 33 I 3.6143 8.0833 120.1240 60.8876 37.7125 175.2978 34 R 3.8647 8.7346 124.5541 58.0007 30.0728 175.8773 35 A 3.8596 8.7004 127.5640 52.8607 16.2834 175.9247 36 L 4.3920 7.3799 121.0761 56.7465 43.0608 176.3930 37 Q 4.4100 9.2986 127.9295 54.6461 32.3012 173.3845 38 Q 4.3823 8.8983 128.7773 56.5604 29.2116 175.6793 39 Q 4.5151 8.9117 124.1438 56.4489 31.0641 175.0082 40 A 4.5078 7.4983 118.5213 50.6095 21.8850 174.9314 41 P 4.3067 0.0000 0.0000 65.3780 31.4850 177.9083 42 Q 4.8901 8.0635 114.1521 54.3200 29.4052 173.9464 43 L 5.1957 8.1438 120.8706 53.5555 45.1373 175.2152 44 L 5.2138 9.2793 126.9236 53.0722 44.7008 175.6858 45 S 5.8509 8.9643 116.1104 56.1841 66.5201 173.0024 46 S 5.0393 7.6771 114.7410 58.6547 66.1974 173.5861 47 G 4.3869 8.3888 107.6320 45.1603 0.0000 172.6220 48 L 4.3334 8.3521 123.9476 53.6197 42.3145 175.9785 49 P 4.2995 0.0000 0.0000 62.0757 31.8882 176.2040 50 N 4.7709 8.8220 120.2568 51.6175 38.8385 175.7400 51 E 4.1132 8.8572 117.7656 59.7632 29.4246 178.2879 52 Q 4.0232 8.1210 118.8935 59.3980 29.0952 178.1387 53 Q 4.0057 8.4392 118.9469 58.4961 28.6648 178.5135 54 F 4.3568 7.7316 119.2278 60.5787 38.8433 177.7934 55 S 4.2156 7.8011 114.8745 61.4653 62.6396 176.5923 56 L 3.9977 7.7716 121.4615 57.7598 41.3847 179.5062 57 L 4.0003 8.3546 119.2940 57.6573 41.5460 179.3717 58 K 4.0677 8.1713 119.4217 59.9305 31.9368 178.8843 59 Q 4.0230 8.1147 116.4327 58.4841 28.6786 177.7777 60 A 4.3128 7.7948 119.6758 52.5246 18.7614 178.0064 61 G 3.9604 8.0149 105.9805 44.6582 0.0000 174.3786 62 V 3.7312 7.5249 120.0897 63.2181 31.9477 175.1762 63 D 4.8457 9.0685 126.8554 55.2047 42.7515 177.2433 64 V 4.6468 7.6150 117.3570 61.0289 35.3180 174.1635 65 V 4.9247 8.8947 127.6381 61.3084 33.9457 174.0887 66 I 4.7821 9.2126 129.4636 59.7543 39.4252 174.0445 67 N 4.8369 8.9998 127.5229 51.9813 40.5018 174.6839 68 L 5.3005 8.3184 129.2992 52.0294 40.4544 173.6746 *70 P 4.6776 0.0000 0.0000 62.0155 32.9878 177.9580 71 D 4.4969 9.3740 122.5429 57.1872 40.8504 178.2036 72 S 4.3297 8.0902 112.2410 60.0602 63.7026 174.8453 73 S 4.2854 8.0346 119.1381 58.1845 63.0686 175.5100 74 K 3.9646 8.6468 123.4132 59.9124 32.3553 177.5721 75 D 4.4770 7.9345 116.4526 54.7078 41.3216 176.4989 76 A 4.1840 7.6063 122.6717 51.9649 18.9692 177.2512 77 H 4.4669 8.4407 117.6967 55.0435 29.5238 174.3380 78 P 4.3966 0.0000 0.0000 65.6051 31.7407 176.8640 79 D 4.6051 7.4739 116.7068 51.5262 41.7048 174.5748 80 E 3.7756 8.2001 124.0927 58.5301 30.0050 177.8102 81 G 2.5465 7.2846 105.3262 47.1405 0.0000 175.4469 82 K 3.7863 7.6882 121.3597 59.1204 32.2436 178.8273 83 L 3.7672 7.2796 118.8339 57.8370 41.2818 179.8533 84 V 3.2070 7.1083 117.1943 65.9851 31.7565 177.9033 85 T 4.0254 7.8653 109.7475 64.8539 68.5002 176.7657 86 Q 3.9905 8.0743 120.0418 58.3542 28.7979 177.7664 87 A 4.2562 7.7605 119.3234 52.1793 19.7572 176.9417 88 G 3.5412 7.6829 104.8508 45.6139 0.0000 173.3044 *90 D 4.5469 7.4066 117.5068 54.3290 43.3756 175.7096 91 Y 5.2898 8.6120 121.9160 55.8575 41.6220 174.6788 92 V 4.2202 8.4582 126.0445 61.0736 34.7784 173.1815 93 Y 4.8633 8.4278 128.8258 56.0844 40.5906 175.5529 94 I 4.4628 8.5240 128.0640 58.3266 38.5997 170.9134 95 P 4.5533 0.0000 0.0000 62.5146 32.0801 176.2213 96 V 4.3154 8.4356 125.8687 60.6634 33.2626 174.7277 97 D 4.5548 8.7266 128.1434 53.5519 41.4079 176.1868 98 W 4.6150 9.2170 135.0000 60.6898 30.7354 176.3306 99 Q 4.3589 8.4695 114.4013 55.9466 28.8599 176.0468 100 N 4.7755 7.7990 114.9666 52.0635 40.3827 172.5659 101 P 4.2993 0.0000 0.0000 62.6324 32.8338 176.5998 102 K 4.5659 8.4639 119.0034 53.8541 35.6668 177.7170 103 V 3.4884 8.2624 120.9525 66.0604 31.3281 178.2916 104 E 3.8945 8.0853 116.9577 59.3696 29.2927 178.7941 105 D 4.3889 7.8564 119.4674 57.2330 40.8670 178.8814 106 V 2.8369 7.4162 118.1937 65.7234 31.4473 177.7493 107 E 3.7539 8.1686 118.3486 59.1894 29.2739 179.1678 108 A 4.0168 8.1449 120.8904 55.0806 18.2265 179.4264 109 F 4.2981 8.2387 118.1147 61.5836 39.5997 176.9703 110 F 4.4593 8.3837 116.3554 60.6325 39.0169 177.1449 111 A 4.2254 8.5750 120.5330 54.9371 17.7550 180.3952 112 A 4.3308 7.9462 117.7571 52.7125 18.2070 179.1014 *114 D 4.3093 8.1155 122.4617 55.9580 42.7934 176.8267 115 Q 4.3023 7.6832 115.1542 56.9108 29.2176 175.5302 116 H 4.9875 7.6084 116.0103 54.7678 30.0810 173.5268 117 K 4.0987 8.3166 118.1721 58.1302 32.3034 177.7490 118 G 3.9109 8.7714 109.7337 45.8717 0.0000 173.4996 119 K 4.5797 7.7539 118.5886 54.9013 33.9024 175.5838 120 D 4.9311 9.0918 121.5652 53.7825 42.3044 175.8173 121 V 4.6671 8.9710 123.6558 60.9257 35.0078 173.6462 122 L 5.3062 8.8568 129.7537 53.3563 44.3575 175.0259 123 V 5.1207 8.7922 126.4802 60.3126 33.7559 174.5346 124 H 6.0060 9.4848 119.6266 52.8865 32.4080 171.8120 125 C 4.6486 8.3922 116.8828 58.0603 32.6791 175.2897 126 L 4.1294 8.8507 115.6572 56.9565 42.0174 177.9165 127 A 4.6138 7.2082 116.4205 51.5489 20.1232 175.1737 128 N 4.2466 8.2999 114.3644 56.3489 37.3681 175.9324 129 Y 3.4511 7.4219 114.5070 60.2185 37.9031 177.6212 130 R 3.7948 7.7752 117.8855 59.4459 30.2362 179.0085 131 A 3.8742 7.8472 120.0726 55.0777 18.4535 179.6550 132 S 4.1842 8.0801 112.7471 61.5481 63.0385 176.6277 133 A 4.1744 8.4539 124.2596 55.1564 18.2132 179.6841 134 F 4.2687 8.9070 116.2455 60.5498 38.8213 177.8054 135 A 4.3871 8.6092 120.8527 55.3445 18.1479 178.7160 136 Y 4.1541 8.4278 118.1712 61.2745 38.7783 178.7452 137 L 3.9196 8.2924 119.6188 57.7106 41.6340 178.8577 138 Y 3.5920 8.6267 119.6179 60.8822 38.8123 178.3316 139 Q 3.6041 8.3411 118.9933 58.4248 28.7090 178.5681 140 L 3.5874 7.6974 121.7902 57.9388 41.9103 178.8537 141 K 2.6941 7.1958 118.1285 59.1446 32.0225 178.0351 142 Q 3.8762 7.3460 115.6925 55.8359 28.6062 176.6007 143 G 3.7340 7.3884 108.1031 46.5505 0.0000 174.6066 144 Q 4.0269 7.9770 117.2741 55.2045 29.5942 175.3479 145 N 4.1162 8.0021 116.0925 53.7343 37.1502 172.0232 146 P 4.3818 0.0000 0.0000 62.9127 32.7104 176.5293 147 N 4.6150 8.4758 118.5654 52.7468 40.7248 174.9754 *149 A 4.2602 8.3738 120.2604 52.3952 20.3853 178.2715 150 Q 4.1716 8.4111 113.6272 59.5046 28.8796 179.1145 151 T 4.1954 8.0919 110.8019 64.6953 68.0652 175.3419 *153 T 4.4542 8.0172 120.5925 63.2738 70.2679 174.6017 154 P 4.1096 0.0000 0.0000 64.8522 31.5767 177.4196 155 W 4.2649 8.3919 117.4225 57.2481 30.5026 177.5973 156 N 4.1533 7.4259 115.4910 54.0531 38.4752 174.6175 157 D 5.0338 8.7729 112.5420 53.3233 39.7777 177.4398 158 E 4.3747 8.9629 121.5155 58.8811 29.5766 177.9642 159 L 4.4452 8.5084 120.7315 58.5244 41.8392 178.6197 160 A 4.2493 8.1017 118.8929 55.1136 18.4473 179.0244 161 I 3.9078 7.8323 116.8525 62.5002 38.5670 176.1890 162 Y 4.8893 7.8903 118.6876 54.4734 37.8886 174.0292 163 P 4.3322 0.0000 0.0000 65.8528 31.4807 178.7399 164 K 3.8775 8.0949 117.7199 58.9392 31.8986 179.1328 165 W 3.8594 8.1305 118.8925 59.3579 29.2160 178.1252 166 Q 3.9516 8.4674 119.4472 59.2316 28.3686 178.4822 167 A 3.9499 8.3005 121.9530 54.9142 18.4170 179.2314 168 L 3.7374 7.6565 118.8165 58.4186 42.1314 179.2304 169 L 4.0798 8.0879 118.8754 58.0738 41.5501 179.7991 170 T 3.8898 8.0056 115.5949 66.6604 68.2139 176.6807 171 E 3.9054 8.1057 119.3150 59.4261 29.9093 179.3904 172 V 3.7496 7.9258 118.2441 66.1791 31.7385 178.2903 173 S 4.3443 8.4294 114.6349 61.4766 62.3772 176.5248 174 A 4.0569 7.6729 122.6995 54.7555 18.1193 179.4016 175 K 3.8504 7.6201 115.8209 57.4486 32.1898 176.2774 176 Y 4.9804 6.9550 114.8386 56.0532 42.1834 177.1581 177 G 4.2518 8.1575 111.1334 46.0631 0.0000 173.7674 178 H 4.3836 8.7506 122.3594 55.7286 29.6236 172.9710 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 0 G 8.21 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 0.00 0.00 0.00 *23 N 8.94 4.59 0.00 2.74 2.83 0.00 0.00 7.31 7.45 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 24 I 8.16 3.80 1.86 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 1.41 0.73 0.90 0.00 0.00 25 E 8.67 4.50 0.00 2.18 1.84 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 2.22 1.87 0.00 26 S 8.63 3.95 0.00 3.98 3.91 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 27 I 7.55 3.67 1.86 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 1.68 1.59 0.90 0.00 0.00 28 E 8.11 4.56 0.00 2.16 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 2.18 0.00 29 N 8.40 4.57 0.00 2.77 2.90 0.00 0.00 6.94 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 30 L 7.77 4.58 0.00 1.67 1.68 0.91 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 7.97 4.50 0.00 2.22 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.30 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 32 G 7.98 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 33 I 8.08 3.61 1.81 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 1.32 0.88 0.81 0.00 0.00 34 R 8.73 3.86 0.00 1.77 1.78 0.00 3.27 0.00 0.00 3.42 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 35 A 8.70 3.86 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.38 4.39 0.00 1.77 1.56 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 9.30 4.41 0.00 2.08 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 38 Q 8.90 4.38 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.65 0.00 0.00 0.00 0.00 0.00 2.37 2.66 0.00 39 Q 8.91 4.52 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.46 0.00 0.00 0.00 0.00 0.00 2.54 2.53 0.00 40 A 7.50 4.51 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 41 P 0.00 4.31 0.00 2.07 2.16 0.00 3.66 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 2.05 2.14 0.00 42 Q 8.06 4.89 0.00 2.12 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.86 0.00 0.00 0.00 0.00 0.00 2.48 2.29 0.00 43 L 8.14 5.20 0.00 1.81 1.55 1.08 0.80 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 44 L 9.28 5.21 0.00 1.63 1.57 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.96 5.85 0.00 4.05 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 46 S 7.68 5.04 0.00 4.00 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 47 G 8.39 4.39 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 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.35 4.33 0.00 1.69 1.55 1.01 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.30 0.00 0.49 1.37 0.00 3.41 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 50 N 8.82 4.77 0.00 2.93 2.94 0.00 0.00 6.55 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 51 E 8.86 4.11 0.00 2.09 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 2.43 0.00 52 Q 8.12 4.02 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 53 Q 8.44 4.01 0.00 2.11 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.57 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 54 F 7.73 4.36 0.00 3.16 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 55 S 7.80 4.22 0.00 3.96 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.77 4.00 0.00 1.80 1.70 0.96 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.35 4.00 0.00 1.93 1.79 0.89 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.17 4.07 0.00 1.99 2.05 0.00 1.55 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.56 1.56 7.81 59 Q 8.11 4.02 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.74 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 60 A 7.79 4.31 1.38 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 0.00 0.00 0.00 61 G 8.01 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 62 V 7.52 3.73 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 0.92 0.00 0.00 1.00 0.00 0.00 63 D 9.07 4.85 0.00 2.71 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 64 V 7.61 4.65 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 0.77 0.00 0.00 0.87 0.00 0.00 65 V 8.89 4.92 2.33 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 1.44 0.00 0.00 1.15 0.00 0.00 66 I 9.21 4.78 2.05 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.61 1.09 0.00 0.00 67 N 9.00 4.84 0.00 3.22 2.85 0.00 0.00 6.72 7.23 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 68 L 8.32 5.30 0.00 1.44 1.34 0.21 1.12 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 *70 P 0.00 4.68 0.00 2.29 2.10 0.00 3.66 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 71 D 9.37 4.50 0.00 2.69 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 72 S 8.09 4.33 0.00 4.01 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 73 S 8.03 4.29 0.00 3.98 3.82 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 74 K 8.65 3.96 0.00 2.10 1.94 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.04 7.81 75 D 7.93 4.48 0.00 2.64 2.70 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 76 A 7.61 4.18 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 H 8.44 4.47 0.00 3.18 3.22 0.00 5.72 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.40 0.00 2.02 2.11 0.00 3.69 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 79 D 7.47 4.61 0.00 2.54 2.38 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 0.00 80 E 8.20 3.78 0.00 2.10 1.80 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 1.95 2.00 0.00 81 G 7.28 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 0.00 0.00 0.00 82 K 7.69 3.79 0.00 1.91 1.83 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.39 7.81 83 L 7.28 3.77 0.00 1.26 1.38 0.75 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 84 V 7.11 3.21 1.65 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 0.87 0.00 0.00 0.28 0.00 0.00 85 T 7.87 4.03 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 1.25 0.00 0.00 86 Q 8.07 3.99 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.01 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 87 A 7.76 4.26 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 88 G 7.68 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 0.00 0.00 0.00 *90 D 7.41 4.55 0.00 2.76 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 91 Y 8.61 5.29 0.00 2.80 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 92 V 8.46 4.22 2.00 0.00 0.00 0.00 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 0.90 0.00 0.00 93 Y 8.43 4.86 0.00 2.57 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 94 I 8.52 4.46 1.87 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 1.28 0.88 0.97 0.00 0.00 95 P 0.00 4.55 0.00 1.95 1.71 0.00 3.28 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.51 0.00 96 V 8.44 4.32 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 1.02 0.00 0.00 0.88 0.00 0.00 97 D 8.73 4.55 0.00 2.76 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 98 W 9.22 4.62 0.00 3.40 3.20 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 99 Q 8.47 4.36 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.01 0.00 0.00 0.00 0.00 0.00 2.54 2.53 0.00 100 N 7.80 4.78 0.00 2.59 2.80 0.00 0.00 7.12 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 0.00 101 P 0.00 4.30 0.00 1.38 0.85 0.00 3.40 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 1.25 0.44 0.00 102 K 8.46 4.57 0.00 1.87 1.62 0.00 1.64 0.00 0.00 1.54 0.00 0.00 2.81 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.27 1.46 7.81 103 V 8.26 3.49 2.00 0.00 0.00 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 0.83 0.00 0.00 104 E 8.09 3.89 0.00 2.20 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 0.00 2.32 2.38 0.00 105 D 7.86 4.39 0.00 3.05 3.05 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 0.00 106 V 7.42 2.84 1.75 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 0.17 0.00 0.00 0.23 0.00 0.00 107 E 8.17 3.75 0.00 2.08 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 2.42 2.43 0.00 108 A 8.14 4.02 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 0.00 109 F 8.24 4.30 0.00 3.27 3.34 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 0.00 110 F 8.38 4.46 0.00 3.16 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 0.00 111 A 8.58 4.23 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 0.00 112 A 7.95 4.33 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 0.00 0.00 0.00 0.00 0.00 *114 D 8.12 4.31 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 0.00 115 Q 7.68 4.30 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 7.43 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 116 H 7.61 4.99 0.00 2.98 3.22 0.00 5.83 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 K 8.32 4.10 0.00 1.74 1.77 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.46 1.61 7.81 118 G 8.77 3.91 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 0.00 0.00 0.00 119 K 7.75 4.58 0.00 1.95 1.77 0.00 1.89 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.60 7.81 120 D 9.09 4.93 0.00 2.79 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 0.00 121 V 8.97 4.67 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 0.94 0.00 0.00 0.95 0.00 0.00 122 L 8.86 5.31 0.00 1.88 1.61 1.01 0.75 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 0.00 123 V 8.79 5.12 2.34 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 0.92 0.00 0.00 0.73 0.00 0.00 124 H 9.48 6.01 0.00 3.46 3.46 0.00 5.70 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 C 8.39 4.65 0.00 2.86 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.85 4.13 0.00 1.66 1.53 0.86 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.21 4.61 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 0.00 128 N 8.30 4.25 0.00 2.96 2.71 0.00 0.00 7.13 7.56 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 0.00 129 Y 7.42 3.45 0.00 2.27 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 R 7.78 3.79 0.00 1.74 1.76 0.00 3.18 0.00 0.00 3.69 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.84 0.00 131 A 7.85 3.87 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 0.00 132 S 8.08 4.18 0.00 4.39 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 0.00 133 A 8.45 4.17 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 0.00 0.00 0.00 0.00 0.00 134 F 8.91 4.27 0.00 2.81 2.34 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 0.00 135 A 8.61 4.39 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 0.00 0.00 0.00 0.00 0.00 0.00 136 Y 8.43 4.15 0.00 3.25 3.34 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 0.00 137 L 8.29 3.92 0.00 2.13 1.99 0.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 138 Y 8.63 3.59 0.00 3.48 3.42 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 0.00 139 Q 8.34 3.60 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.57 2.76 0.00 140 L 7.70 3.59 0.00 1.14 1.45 0.79 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 141 K 7.20 2.69 0.00 0.79 1.09 0.00 0.73 0.00 0.00 0.65 0.00 0.00 2.70 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.87 0.95 7.81 142 Q 7.35 3.88 0.00 1.62 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.15 0.00 0.00 0.00 0.00 0.00 1.28 1.20 0.00 143 G 7.39 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 0.00 0.00 0.00 144 Q 7.98 4.03 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.52 0.00 0.00 0.00 0.00 0.00 2.28 2.12 0.00 145 N 8.00 4.12 0.00 2.75 2.78 0.00 0.00 7.07 7.69 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 0.00 146 P 0.00 4.38 0.00 2.43 2.23 0.00 3.68 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 1.66 1.79 0.00 147 N 8.48 4.61 0.00 2.79 2.81 0.00 0.00 6.91 8.52 0.00 0.00 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 A 8.37 4.26 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 0.00 150 Q 8.41 4.17 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 7.51 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 151 T 8.09 4.20 4.44 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 1.56 0.00 0.00 *153 T 8.02 4.45 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 1.21 0.00 0.00 154 P 0.00 4.11 0.00 1.72 1.71 0.00 3.75 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.01 0.00 155 W 8.39 4.26 0.00 3.41 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 N 7.43 4.15 0.00 2.95 2.15 0.00 0.00 6.83 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 0.00 157 D 8.77 5.03 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 0.00 158 E 8.96 4.37 0.00 2.56 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 0.00 2.48 2.82 0.00 159 L 8.51 4.45 0.00 1.78 1.75 0.69 0.80 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 0.00 160 A 8.10 4.25 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 0.00 161 I 7.83 3.91 1.81 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 1.51 0.79 0.49 0.00 0.00 162 Y 7.89 4.89 0.00 3.39 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 0.00 163 P 0.00 4.33 0.00 2.28 2.35 0.00 3.81 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 2.11 2.09 0.00 164 K 8.09 3.88 0.00 1.66 1.63 0.00 1.61 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.51 7.81 165 W 8.13 3.86 0.00 3.69 3.33 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 0.00 166 Q 8.47 3.95 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 167 A 8.30 3.95 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 0.00 168 L 7.66 3.74 0.00 1.50 1.57 0.74 0.43 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 0.00 169 L 8.09 4.08 0.00 1.93 1.73 0.70 0.78 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 0.00 170 T 8.01 3.89 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 0.00 171 E 8.11 3.91 0.00 1.87 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 2.30 2.39 0.00 172 V 7.93 3.75 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.90 0.00 0.00 173 S 8.43 4.34 0.00 4.18 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 0.00 174 A 7.67 4.06 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 0.00 175 K 7.62 3.85 0.00 0.79 1.03 0.00 1.54 0.00 0.00 1.57 0.00 0.00 2.75 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.25 1.43 7.81 176 Y 6.96 4.98 0.00 2.93 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 0.00 177 G 8.16 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 H 8.75 4.38 0.00 3.08 3.16 0.00 5.93 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.