NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.2844 7.8827 121.4459 61.1546 38.8604 173.7914 17 V 4.4399 8.4339 125.1108 61.6281 33.1915 174.2728 18 G 3.7083 9.0564 114.7032 46.4986 0.0000 172.9530 19 G 4.2783 7.8344 110.1353 43.6364 0.0000 172.3642 20 Y 4.9711 7.9523 116.4689 55.0950 42.1720 174.8068 21 T 4.3102 8.5780 116.9141 63.8608 68.5148 175.2314 22 C 4.2787 8.6512 125.5147 61.2621 36.0239 174.0160 23 G 4.1793 8.5606 105.0566 43.1765 0.0000 173.0294 24 A 4.1195 8.6116 125.2186 53.6158 18.6828 177.2723 25 N 4.2037 8.7425 120.5812 54.4945 36.3201 175.1872 26 T 4.2751 7.5069 107.0223 62.2590 70.1475 175.1109 27 V 4.0707 6.9905 122.0584 60.1513 31.3167 173.7073 28 P 4.4349 0.0000 0.0000 64.5958 31.9915 178.1744 29 Y 5.1350 6.8020 115.4869 56.4423 38.7321 174.5667 30 Q 4.5877 7.3772 123.5088 56.1912 29.7514 175.1867 31 V 4.8425 8.9526 125.3833 61.1501 35.6189 173.7257 32 S 5.0322 8.8053 119.5277 56.4470 65.1348 172.4910 33 L 4.7469 8.5877 127.5315 53.1648 43.5208 174.9257 34 N 6.0142 9.0175 122.5926 50.0650 41.9247 175.0055 *37 S 5.0027 7.8810 120.4636 58.6227 64.1563 174.4624 38 G 3.9678 9.3681 108.9120 46.3384 0.0000 173.0164 39 Y 4.5285 6.3616 115.1993 56.1135 40.0875 172.7631 40 H 4.6726 8.8536 121.6876 56.2179 30.3307 174.7726 41 F 5.0757 7.9060 119.7513 56.8090 39.6315 173.7597 42 C 4.7772 6.8975 114.9918 56.2829 44.7339 173.0865 43 G 4.3455 8.7069 109.2225 45.4357 0.0000 172.2213 44 G 4.4342 8.2385 105.4011 46.2822 0.0000 172.4740 45 S 5.4841 8.9210 115.3893 56.4660 66.8947 173.5913 46 L 4.8175 9.1379 127.1875 54.6404 42.4831 177.0800 47 I 4.3827 8.4687 119.7579 61.0236 38.8587 174.5874 48 N 4.4522 7.6525 117.4372 52.1403 39.2299 175.1836 49 S 4.1693 8.4513 112.6528 60.7527 62.9421 175.5860 50 Q 4.5207 8.1900 117.5813 55.1584 30.3816 174.5802 51 W 5.5167 8.0499 118.0908 54.7398 33.4049 174.4907 52 V 5.1529 9.1174 122.3852 61.0938 34.7472 174.4778 53 V 4.9791 8.7830 125.7853 60.4964 33.9396 174.8458 54 S 4.9964 8.9081 116.2939 57.7897 66.1022 172.0942 55 A 4.6402 8.5417 120.5769 50.8197 20.2840 178.6022 56 A 3.8696 8.2784 124.1958 55.1581 18.5163 179.2140 57 H 4.5404 8.3517 109.7560 57.3851 28.7039 175.3555 58 C 4.6962 7.7891 117.1268 57.0892 40.5320 173.2859 59 Y 4.2495 7.6268 122.0826 58.0228 38.7422 175.4390 60 K 3.8899 7.1252 123.7799 55.3516 36.1276 175.2060 61 S 4.3527 7.9554 116.8388 58.3798 64.8471 173.8834 62 G 3.5741 8.4068 108.3535 46.4155 0.0000 173.4823 63 I 4.5114 7.1372 118.6883 59.5139 40.5044 176.2790 64 Q 4.7950 8.4504 126.3301 54.2461 32.0777 173.8993 65 V 4.3944 8.9778 126.6651 61.5752 33.7687 174.5401 66 R 5.1943 8.9689 127.0207 54.6792 32.6707 175.0340 67 L 4.7607 9.1771 124.7373 52.7220 44.8251 177.2002 *69 G 4.2490 8.2285 105.9570 46.3233 0.0000 172.8441 70 E 4.6423 8.4399 118.7677 55.3549 30.3789 174.2586 71 D 4.7479 7.8232 117.1076 54.9105 44.0967 173.9620 72 N 5.2011 8.9991 116.1926 52.8465 39.6865 176.1096 73 I 4.0977 8.5020 119.3068 61.9098 37.9518 176.0592 74 N 4.8081 8.6897 118.0735 53.0255 39.2893 174.6436 75 V 4.2892 7.3455 116.8514 60.7748 34.2409 174.9841 76 V 4.1288 8.4618 127.0446 62.5119 30.9166 175.1851 77 E 4.3504 9.2129 127.3611 55.9270 29.9232 177.1221 78 G 4.0500 8.1901 107.3086 45.2717 0.0000 174.3646 79 N 4.8878 8.1761 115.4247 53.1014 39.8731 174.5733 80 E 5.3907 7.8258 118.1468 55.4126 31.2985 176.0356 81 Q 4.3050 8.3652 119.3987 54.4187 32.9969 173.8618 82 F 5.6308 8.7954 123.0233 55.9469 41.1160 175.1294 83 I 4.7028 8.9027 124.8013 59.4883 41.0155 175.6270 84 S 4.6985 8.6581 121.6118 58.1032 64.4550 173.1342 85 A 4.7153 8.3009 124.4099 51.8115 18.7746 177.6441 86 S 4.6313 8.9093 115.9280 59.5707 64.8421 174.4471 87 K 4.6627 7.4611 116.9479 55.8917 35.4844 174.8301 88 S 5.3046 8.7071 116.6531 56.9914 66.7310 173.8237 89 I 4.6105 9.0594 123.9441 59.6786 40.2995 174.7651 90 V 4.3001 8.4662 127.3568 61.8567 32.8435 175.1335 91 H 3.4568 8.5320 126.6152 55.8492 29.9739 174.2835 92 P 4.2401 0.0000 0.0000 65.4883 31.0327 177.0646 93 S 4.7120 7.7583 112.5684 58.0245 63.1491 173.2263 94 Y 4.3348 7.9690 122.9846 57.6299 39.1233 174.4139 95 N 4.6023 8.0464 125.3136 51.4354 39.9955 174.9729 96 S 3.9484 7.7387 119.8906 59.2613 63.6454 175.1085 97 N 4.3935 8.3478 119.4837 55.3723 38.5509 176.0229 98 T 4.0406 7.6444 105.2291 60.5337 70.1433 174.6590 99 L 3.7561 7.6767 120.7704 55.5684 39.7789 173.8842 100 N 4.4852 7.6702 117.7281 54.5735 39.6857 174.4716 101 N 4.8984 8.6876 120.0038 54.2774 35.6674 175.8030 102 D 4.7112 7.8675 117.8642 52.8674 39.8663 175.0119 103 I 4.8255 7.1500 120.9201 59.5302 42.2600 172.7532 104 M 5.4141 9.1652 126.1545 54.4064 36.3051 173.1493 105 L 5.4097 9.2696 123.2487 53.0991 45.2788 175.5423 106 I 4.9911 9.0971 123.1710 59.4852 40.7781 174.2550 107 K 3.8112 8.7826 128.7833 54.4425 33.6622 175.3650 108 L 4.5660 8.1678 127.1934 54.1105 42.5551 178.2546 109 K 4.0962 8.9489 122.6312 58.8753 32.5037 177.6422 110 S 4.6341 7.3943 110.5372 56.1436 66.7254 173.3268 111 A 4.4548 8.3658 124.2858 51.6976 18.8543 177.5468 112 A 4.2108 8.9530 124.3167 52.0073 19.7161 177.3973 113 S 4.6115 8.8949 116.4660 56.9552 63.6754 174.6645 114 L 4.4651 8.5106 125.6739 54.5642 42.2743 176.5503 115 N 4.7950 8.7070 117.9547 52.6539 39.8375 174.7947 116 S 4.1573 8.8037 113.1220 62.2117 62.9365 175.8805 117 R 4.1057 8.4475 117.9517 57.2420 30.3431 176.5196 118 V 4.4358 7.8497 116.8441 60.9086 33.5262 173.7563 119 A 5.2173 8.5701 128.3607 50.3819 23.0606 174.7141 120 S 5.1655 8.6874 113.5520 57.2176 65.3864 173.1321 121 I 4.4738 8.2213 120.8778 59.2092 39.6967 175.5049 122 S 4.4172 8.3594 123.2420 58.1132 63.7117 173.8675 123 L 4.4160 8.0821 123.2737 53.1789 42.6390 175.1612 124 P 4.5417 0.0000 0.0000 62.9028 32.2627 176.2393 125 T 4.1382 8.2190 108.7414 62.4622 69.9574 174.5221 *127 S 4.3965 7.5565 114.7145 58.1500 63.9778 173.5588 128 C 4.4999 8.3870 117.8521 56.3002 40.9811 172.9293 129 A 4.7589 7.8735 123.1726 50.5592 21.1333 176.7711 130 S 4.2936 8.0324 115.2866 57.5422 64.2983 173.6647 *132 A 4.2584 8.1986 124.5060 53.5098 19.2630 177.0448 133 G 4.0093 8.9691 110.3578 45.4003 0.0000 174.4343 134 T 4.0516 7.7341 117.2321 63.6849 69.4712 173.7841 135 Q 4.8211 8.5578 124.7272 55.3635 30.3518 175.5496 136 C 5.2562 9.1808 119.5869 55.0893 46.4678 172.3355 137 L 5.2684 8.9329 122.0761 53.4968 44.3191 175.0108 138 I 5.2746 9.0428 127.0097 58.7782 40.2151 174.8035 139 S 4.9238 8.7760 119.2792 56.2982 66.5619 173.0774 140 G 3.8328 7.4047 108.8243 46.0329 0.0000 172.6456 141 W 4.6002 8.5085 117.3145 56.3075 29.4847 177.1443 142 G 4.1286 8.3119 108.9247 43.9602 0.0000 173.6292 143 N 3.6652 8.2775 118.0548 54.3046 38.9387 174.4679 144 T 5.1495 8.1056 112.4053 60.3724 69.3873 173.9883 145 K 4.6582 7.7883 120.6333 54.9804 35.0011 176.3784 146 S 4.3793 8.7086 118.4731 60.7558 63.1538 174.6503 147 S 4.4924 8.9302 116.3895 56.1719 62.8937 173.6143 148 G 4.2195 7.2656 111.5462 43.8935 0.0000 169.6049 149 T 4.7597 7.7661 115.9670 61.7483 71.9054 174.4205 150 S 4.4222 9.3010 121.8249 57.7773 65.7527 172.1895 151 Y 4.9200 8.7242 125.9357 55.6573 39.1858 174.3853 152 P 4.7063 0.0000 0.0000 62.5928 32.8896 175.3482 153 D 4.8908 8.6452 117.2945 54.8498 42.7675 176.7666 154 V 5.4685 7.7141 110.2132 58.3597 34.5820 175.5138 155 L 3.2596 8.2250 124.8036 54.9802 43.0074 175.9651 156 K 4.8599 8.2026 124.8160 54.7940 35.4863 174.4989 157 C 5.2710 8.6246 119.5207 55.2144 44.4573 172.9709 158 L 4.9779 8.4563 122.3056 53.9292 45.5935 174.3010 159 K 5.1389 8.9533 125.3770 55.0466 33.7858 175.6636 160 A 4.8740 9.1358 125.4161 49.8786 23.1278 173.6977 161 P 5.0420 0.0000 0.0000 61.8644 33.9685 175.0826 162 I 4.3217 8.3099 121.9292 61.2996 38.2035 175.7104 163 L 4.9404 8.5975 126.7337 52.9005 43.9502 176.8062 164 S 4.3418 8.4062 114.8914 58.2487 63.8391 175.2713 165 D 4.4817 8.6894 122.2026 57.3703 40.5491 179.2369 166 S 4.1635 8.0569 114.9828 61.4857 62.8784 176.6035 167 S 4.3599 7.9486 118.9630 60.3534 62.8614 175.7975 168 C 4.3506 8.0266 121.9046 59.7505 43.2985 175.7931 169 K 4.0203 8.2707 119.1988 59.2924 31.7498 179.2875 170 S 4.2651 8.3047 114.6108 61.1883 62.7364 176.4519 171 A 3.8655 7.5654 123.7154 53.5658 19.6777 177.2350 172 Y 4.8603 7.6329 113.9710 55.2372 38.1894 172.7108 173 P 4.5882 0.0000 0.0000 63.8503 32.3011 177.2517 174 G 3.9918 9.0259 109.9941 46.1502 0.0000 173.7390 175 Q 4.5651 8.2572 117.1444 55.3904 30.7098 175.6474 176 I 4.4575 7.8620 119.1432 59.9882 38.5229 175.0441 177 T 4.6813 8.1669 114.6437 59.4516 71.2446 174.8241 178 S 4.3343 8.5573 114.7053 60.3925 63.2543 174.3204 179 N 4.9449 8.1769 118.6148 53.3840 38.4292 173.8933 180 M 5.5895 7.8255 117.1325 53.9580 36.3949 174.4131 181 F 5.0735 8.7287 114.5183 56.0685 42.0150 172.3862 182 C 5.8906 9.2996 116.1529 54.8549 41.5996 172.7374 183 A 4.9808 8.9793 121.8286 50.9496 22.3769 175.8242 184A G 3.8407 7.0034 106.8576 44.6894 0.0000 172.5917 184 Y 4.6447 8.3192 119.6147 55.9952 40.8708 176.4441 185 L 4.1508 8.6340 125.3905 57.5668 42.0254 179.1134 186 E 4.1279 8.1911 116.8657 57.4850 29.7972 177.4240 187 G 3.7598 7.7785 106.2219 44.5109 0.0000 170.9180 188A G 4.2969 8.9348 107.4567 44.7598 0.0000 174.2218 188 K 4.8906 7.1180 117.1806 54.4085 35.0716 175.1975 189 D 4.6074 8.5790 122.7630 54.0151 45.7503 174.8816 190 S 5.0199 8.7100 116.9221 57.9925 65.5673 172.6623 191 C 4.7611 9.0415 118.7563 55.5256 47.2515 172.4444 192 Q 4.4907 8.4482 118.8192 57.6716 28.4731 176.7055 193 G 4.2668 9.2055 108.6452 46.0926 0.0000 174.3012 194 D 4.6987 8.3565 118.5315 55.2869 41.7225 176.6887 195 S 4.4234 8.0685 115.1061 60.4267 63.2949 175.5719 196 G 4.0169 8.9339 112.6405 46.4374 0.0000 173.7389 197 G 4.2280 7.8438 107.6214 44.8913 0.0000 171.2329 198 P 5.1983 0.0000 0.0000 62.3498 33.6099 175.8050 199 V 4.6108 8.4539 120.3671 61.5064 34.4656 174.0132 200 V 4.8687 8.7793 128.8171 61.2508 34.0294 173.6854 201 C 5.1281 8.8755 124.5870 55.8394 44.0636 174.5651 202 S 3.5651 9.8114 119.2179 59.7161 60.1774 173.1676 203 G 3.9234 8.3633 103.9654 45.7390 0.0000 173.7885 204 K 4.7072 7.7138 117.8564 52.9479 35.3933 175.4995 *209 L 4.2246 8.2692 122.3472 55.4839 42.2574 175.9516 210 Q 4.6002 8.8454 125.5254 56.3238 31.1153 175.7300 211 G 5.3201 8.0103 104.6786 45.8665 0.0000 171.4758 212 I 5.1477 8.2264 119.6926 58.8662 41.0908 175.2694 213 V 3.6922 9.0383 127.6271 63.9640 31.7937 174.2335 214 S 4.8165 8.4863 120.9112 58.8603 64.2639 174.5921 215 W 4.9338 7.4389 115.1043 57.6151 31.4575 172.0288 216 G 3.6145 7.9362 105.1569 46.4955 0.0000 171.9924 217 S 4.4689 8.0194 114.9858 56.4706 64.0802 173.5069 *219 G 4.4465 8.1019 118.1826 45.6224 0.0000 170.7750 220 C 4.9666 8.1535 115.7502 56.5212 44.8573 173.8112 221A A 3.7903 9.0671 125.8209 53.2420 16.3297 177.1256 221 Q 4.5979 7.2658 115.3464 56.0234 30.0477 175.9436 222 K 4.1177 8.4182 121.4870 57.9491 32.7434 175.9604 223 N 4.2761 9.1812 121.2689 54.1413 37.1149 175.3843 224 K 4.4339 7.4808 114.9101 53.9018 32.3728 173.8638 225 P 4.5985 0.0000 0.0000 62.2570 33.1829 177.5811 226 G 3.7264 8.4418 106.1973 45.9629 0.0000 172.7201 227 V 4.4207 7.5617 121.2038 60.6828 34.0714 174.1121 228 Y 4.9649 8.2667 124.5567 55.9856 41.9565 175.0597 229 T 4.4536 8.5448 119.6224 63.6296 70.1730 174.3515 230 K 5.1386 9.3172 128.0039 55.1955 31.3981 177.1227 231 V 3.9874 8.7974 126.2967 65.8801 31.3946 174.8351 232 C 4.3915 8.3282 112.4783 58.0168 41.4900 174.6846 233 N 4.2857 7.9330 117.1099 54.1775 38.6257 174.9940 234 Y 4.8750 7.9231 117.7367 57.5251 39.2419 177.5825 235 V 3.6920 8.0483 121.6670 66.2648 31.4840 178.0662 236 S 4.1250 8.1061 114.3568 61.3491 62.6746 176.3219 237 W 4.1460 8.2970 130.5191 60.4304 30.4460 177.8101 238 I 3.0066 8.2463 119.9947 64.2490 36.6332 178.4929 239 K 3.7404 8.1513 119.4166 59.6109 31.6379 179.5138 240 Q 3.9066 7.9341 117.4149 59.0900 28.8135 178.6556 241 T 3.7442 7.6013 117.2024 66.4398 68.2874 177.0121 242 I 2.4772 7.2572 114.9977 63.2882 37.1640 177.9597 243 A 4.0317 7.4385 120.8848 53.8545 18.2244 178.6182 244 S 4.6746 7.2562 111.4083 58.2829 63.3983 173.9990 245 N 4.7066 7.9038 125.5672 53.5653 39.4021 174.1111 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 16 I 7.88 4.28 1.79 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 1.48 0.76 0.91 0.00 0.00 17 V 8.43 4.44 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 1.03 0.00 0.00 0.91 0.00 0.00 18 G 9.06 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 0.00 0.00 0.00 19 G 7.83 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 0.00 0.00 0.00 0.00 20 Y 7.95 4.97 0.00 2.99 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.58 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 1.22 0.00 0.00 22 C 8.65 4.28 0.00 2.75 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 23 G 8.56 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.61 4.12 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 25 N 8.74 4.20 0.00 2.82 2.88 0.00 0.00 7.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 7.51 4.28 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 1.26 0.00 0.00 27 V 6.99 4.07 1.74 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 0.29 0.00 0.00 0.76 0.00 0.00 28 P 0.00 4.43 0.00 2.36 2.38 0.00 3.58 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.99 0.00 29 Y 6.80 5.14 0.00 3.26 3.38 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 30 Q 7.38 4.59 0.00 1.82 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.50 0.00 0.00 0.00 0.00 0.00 1.94 2.48 0.00 31 V 8.95 4.84 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 0.87 0.00 0.00 1.09 0.00 0.00 32 S 8.81 5.03 0.00 3.06 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 33 L 8.59 4.75 0.00 0.50 0.98 0.80 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 34 N 9.02 6.01 0.00 2.44 2.48 0.00 0.00 6.54 8.14 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 *37 S 7.88 5.00 0.00 3.70 3.65 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 38 G 9.37 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 39 Y 6.36 4.53 0.00 3.08 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 40 H 8.85 4.67 0.00 2.85 3.18 0.00 5.86 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 7.91 5.08 0.00 3.07 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 42 C 6.90 4.78 0.00 2.27 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 43 G 8.71 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 44 G 8.24 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 0.00 0.00 0.00 0.00 45 S 8.92 5.48 0.00 3.82 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 46 L 9.14 4.82 0.00 1.86 1.67 1.09 1.21 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 47 I 8.47 4.38 1.90 0.00 0.00 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 1.53 0.92 0.95 0.00 0.00 48 N 7.65 4.45 0.00 2.93 2.98 0.00 0.00 6.27 8.43 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 49 S 8.45 4.17 0.00 4.04 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 0.00 50 Q 8.19 4.52 0.00 2.13 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 51 W 8.05 5.52 0.00 3.14 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 52 V 9.12 5.15 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 1.15 0.00 0.00 0.98 0.00 0.00 53 V 8.78 4.98 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 0.74 0.00 0.00 1.06 0.00 0.00 54 S 8.91 5.00 0.00 3.90 3.77 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 55 A 8.54 4.64 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 56 A 8.28 3.87 0.31 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 57 H 8.35 4.54 0.00 3.37 3.58 0.00 5.55 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 C 7.79 4.70 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 59 Y 7.63 4.25 0.00 2.96 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 60 K 7.13 3.89 0.00 1.31 1.22 0.00 0.61 0.00 0.00 1.02 0.00 0.00 2.62 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.93 0.84 7.81 61 S 7.96 4.35 0.00 3.77 3.75 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 62 G 8.41 3.57 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 0.00 0.00 0.00 63 I 7.14 4.51 1.87 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.72 0.94 0.00 0.00 64 Q 8.45 4.80 0.00 1.99 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.93 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 65 V 8.98 4.39 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 0.94 0.00 0.00 0.90 0.00 0.00 66 R 8.97 5.19 0.00 1.69 1.80 0.00 2.68 0.00 0.00 2.31 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.24 0.00 67 L 9.18 4.76 0.00 1.60 1.61 0.95 0.64 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 *69 G 8.23 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 70 E 8.44 4.64 0.00 2.18 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 2.38 2.10 0.00 71 D 7.82 4.75 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 72 N 9.00 5.20 0.00 2.83 2.80 0.00 0.00 7.23 7.38 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 73 I 8.50 4.10 1.44 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.54 -0.46 0.00 0.00 74 N 8.69 4.81 0.00 2.83 2.87 0.00 0.00 6.57 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 75 V 7.35 4.29 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 1.00 0.00 0.00 76 V 8.46 4.13 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 0.79 0.00 0.00 1.03 0.00 0.00 77 E 9.21 4.35 0.00 2.00 1.98 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 2.30 2.48 0.00 78 G 8.19 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 N 8.18 4.89 0.00 2.79 2.80 0.00 0.00 7.15 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 80 E 7.83 5.39 0.00 1.33 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 0.00 2.70 2.29 0.00 81 Q 8.37 4.30 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.85 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 82 F 8.80 5.63 0.00 2.81 2.76 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 83 I 8.90 4.70 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 1.24 0.81 0.95 0.00 0.00 84 S 8.66 4.70 0.00 3.75 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 85 A 8.30 4.72 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 86 S 8.91 4.63 0.00 3.75 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.46 4.66 0.00 1.86 1.90 0.00 1.46 0.00 0.00 1.94 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.26 1.50 7.81 88 S 8.71 5.30 0.00 3.95 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 89 I 9.06 4.61 2.07 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.06 1.16 0.00 0.00 90 V 8.47 4.30 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 0.60 0.00 0.00 0.79 0.00 0.00 91 H 8.53 3.46 0.00 2.85 3.04 0.00 5.66 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.24 0.00 2.14 2.16 0.00 2.47 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.82 0.00 93 S 7.76 4.71 0.00 3.93 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 7.97 4.33 0.00 2.95 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 95 N 8.05 4.60 0.00 2.60 2.43 0.00 0.00 6.59 7.19 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 96 S 7.74 3.95 0.00 3.97 3.85 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 97 N 8.35 4.39 0.00 2.77 2.79 0.00 0.00 6.76 8.17 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 98 T 7.64 4.04 4.11 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 1.10 0.00 0.00 99 L 7.68 3.76 0.00 1.53 1.93 0.81 0.91 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 0.00 100 N 7.67 4.49 0.00 2.74 2.65 0.00 0.00 7.28 6.85 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 0.00 101 N 8.69 4.90 0.00 3.06 2.60 0.00 0.00 7.24 8.27 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 0.00 102 D 7.87 4.71 0.00 3.09 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 0.00 103 I 7.15 4.83 1.55 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.17 0.10 0.00 0.00 104 M 9.17 5.41 0.00 2.13 1.83 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.66 0.00 105 L 9.27 5.41 0.00 1.71 1.80 -0.02 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 106 I 9.10 4.99 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.86 0.89 0.00 0.00 107 K 8.78 3.81 0.00 0.79 1.11 0.00 1.36 0.00 0.00 1.36 0.00 0.00 2.63 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.70 0.21 7.81 108 L 8.17 4.57 0.00 1.53 1.55 0.97 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.95 4.10 0.00 1.65 1.83 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.56 7.81 110 S 7.39 4.63 0.00 3.83 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 A 8.37 4.45 1.21 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 0.00 0.00 0.00 112 A 8.95 4.21 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 0.00 113 S 8.89 4.61 0.00 3.74 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 0.00 114 L 8.51 4.47 0.00 1.66 1.69 0.96 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 115 N 8.71 4.79 0.00 2.89 2.92 0.00 0.00 6.94 8.37 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 0.00 116 S 8.80 4.16 0.00 3.89 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 0.00 117 R 8.45 4.11 0.00 1.93 1.99 0.00 3.15 0.00 0.00 3.20 7.37 0.00 0.00 0.00 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1.20 0.00 0.00 *127 S 7.56 4.40 0.00 4.00 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 0.00 128 C 8.39 4.50 0.00 2.93 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 A 7.87 4.76 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 0.00 130 S 8.03 4.29 0.00 3.84 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 *132 A 8.20 4.26 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 0.00 133 G 8.97 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 0.00 134 T 7.73 4.05 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 0.00 135 Q 8.56 4.82 0.00 1.93 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 136 C 9.18 5.26 0.00 2.75 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 0.00 137 L 8.93 5.27 0.00 1.77 1.56 1.04 1.05 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 0.00 138 I 9.04 5.27 1.88 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 1.77 0.99 0.00 0.00 139 S 8.78 4.92 0.00 3.52 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.40 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 0.00 141 W 8.51 4.60 0.00 3.24 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 0.00 142 G 8.31 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 0.00 0.00 0.00 0.00 143 N 8.28 3.67 0.00 2.18 2.58 0.00 0.00 7.30 8.34 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 0.00 144 T 8.11 5.15 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 1.25 0.00 0.00 145 K 7.79 4.66 0.00 1.76 1.70 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.28 1.33 7.81 146 S 8.71 4.38 0.00 3.87 4.12 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 0.00 147 S 8.93 4.49 0.00 3.81 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.27 4.22 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 0.00 0.00 0.00 149 T 7.77 4.76 4.31 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 1.48 0.00 0.00 150 S 9.30 4.42 0.00 3.83 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 0.00 151 Y 8.72 4.92 0.00 2.96 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 0.00 152 P 0.00 4.71 0.00 2.40 2.08 0.00 4.08 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.01 0.00 153 D 8.65 4.89 0.00 2.69 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 0.00 154 V 7.71 5.47 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 1.07 0.00 0.00 0.97 0.00 0.00 155 L 8.23 3.26 0.00 1.35 1.25 -0.75 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.20 4.86 0.00 1.66 1.49 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.45 7.81 157 C 8.62 5.27 0.00 1.47 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 0.00 0.00 0.00 0.00 158 L 8.46 4.98 0.00 1.72 1.45 1.05 0.92 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 0.00 159 K 8.95 5.14 0.00 1.81 1.81 0.00 1.85 0.00 0.00 1.77 0.00 0.00 2.74 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.64 7.81 160 A 9.14 4.87 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 0.00 161 P 0.00 5.04 0.00 2.03 2.10 0.00 3.12 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.78 0.00 162 I 8.31 4.32 1.89 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.62 0.78 0.00 0.00 163 L 8.60 4.94 0.00 1.55 1.60 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 164 S 8.41 4.34 0.00 4.00 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 0.00 165 D 8.69 4.48 0.00 2.74 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 0.00 166 S 8.06 4.16 0.00 4.05 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 0.00 167 S 7.95 4.36 0.00 4.04 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 0.00 168 C 8.03 4.35 0.00 3.25 3.39 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 0.00 169 K 8.27 4.02 0.00 1.87 1.92 0.00 1.80 0.00 0.00 1.80 0.00 0.00 3.12 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.61 7.81 170 S 8.30 4.27 0.00 4.04 4.12 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 0.00 171 A 7.57 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 Y 7.63 4.86 0.00 3.26 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 0.00 173 P 0.00 4.59 0.00 2.08 2.04 0.00 3.84 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.23 0.00 174 G 9.03 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 0.00 175 Q 8.26 4.57 0.00 2.47 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.40 6.48 0.00 0.00 0.00 0.00 0.00 2.28 2.58 0.00 176 I 7.86 4.46 1.99 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.96 1.00 0.00 0.00 177 T 8.17 4.68 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 1.29 0.00 0.00 178 S 8.56 4.33 0.00 4.00 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 0.00 179 N 8.18 4.94 0.00 3.10 3.10 0.00 0.00 6.61 7.35 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 0.00 180 M 7.83 5.59 0.00 1.77 1.98 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.61 0.00 181 F 8.73 5.07 0.00 3.08 3.09 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 0.00 0.00 0.00 182 C 9.30 5.89 0.00 2.96 3.07 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 0.00 183 A 8.98 4.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184A G 7.00 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 0.00 184 Y 8.32 4.64 0.00 3.07 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 0.00 185 L 8.63 4.15 0.00 1.74 1.73 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 186 E 8.19 4.13 0.00 2.02 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 0.00 2.37 2.29 0.00 187 G 7.78 3.76 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 0.00 0.00 0.00 188A G 8.93 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 0.00 188 K 7.12 4.89 0.00 1.48 1.77 0.00 1.00 0.00 0.00 1.36 0.00 0.00 2.19 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.46 1.26 7.81 189 D 8.58 4.61 0.00 2.82 2.54 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 0.00 190 S 8.71 5.02 0.00 4.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 C 9.04 4.76 0.00 2.94 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 0.00 192 Q 8.45 4.49 0.00 2.41 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 5.52 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 193 G 9.21 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 0.00 194 D 8.36 4.70 0.00 3.02 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 0.00 195 S 8.07 4.42 0.00 4.00 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 0.00 196 G 8.93 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 0.00 0.00 0.00 197 G 7.84 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 0.00 0.00 0.00 0.00 198 P 0.00 5.20 0.00 2.30 2.34 0.00 3.71 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 199 V 8.45 4.61 2.27 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 0.82 0.00 0.00 0.73 0.00 0.00 200 V 8.78 4.87 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 0.58 0.00 0.00 201 C 8.88 5.13 0.00 2.78 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 0.00 202 S 9.81 3.57 0.00 3.91 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 0.00 203 G 8.36 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 K 7.71 4.71 0.00 1.69 1.63 0.00 1.89 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.40 7.81 *209 L 8.27 4.22 0.00 1.51 1.64 1.01 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 210 Q 8.85 4.60 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.35 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 211 G 8.01 5.32 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 0.00 212 I 8.23 5.15 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.14 1.00 0.00 0.00 213 V 9.04 3.69 2.35 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 0.94 0.00 0.00 1.20 0.00 0.00 214 S 8.49 4.82 0.00 3.90 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 W 7.44 4.93 0.00 3.31 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 0.00 216 G 7.94 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 0.00 0.00 0.00 0.00 217 S 8.02 4.47 0.00 4.25 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 *219 G 8.10 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 0.00 0.00 0.00 0.00 220 C 8.15 4.97 0.00 2.94 2.94 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 221A A 9.07 3.79 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 0.00 221 Q 7.27 4.60 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 7.13 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 222 K 8.42 4.12 0.00 1.72 1.71 0.00 1.93 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.47 7.81 223 N 9.18 4.28 0.00 2.79 2.79 0.00 0.00 6.75 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 0.00 224 K 7.48 4.43 0.00 1.72 1.80 0.00 1.76 0.00 0.00 1.41 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.51 7.81 225 P 0.00 4.60 0.00 2.13 2.10 0.00 3.66 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 2.09 2.00 0.00 226 G 8.44 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 0.00 227 V 7.56 4.42 0.67 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 0.23 0.00 0.00 -0.79 0.00 0.00 228 Y 8.27 4.96 0.00 1.43 2.32 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 0.00 229 T 8.54 4.45 4.32 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 1.29 0.00 0.00 230 K 9.32 5.14 0.00 2.13 1.91 0.00 1.84 0.00 0.00 1.86 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.62 7.81 231 V 8.80 3.99 2.35 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 1.17 0.00 0.00 1.13 0.00 0.00 232 C 8.33 4.39 0.00 3.16 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 0.00 233 N 7.93 4.29 0.00 2.35 2.33 0.00 0.00 6.85 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 0.00 234 Y 7.92 4.87 0.00 3.14 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 235 V 8.05 3.69 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 1.13 0.00 0.00 1.11 0.00 0.00 236 S 8.11 4.13 0.00 3.98 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 0.00 237 W 8.30 4.15 0.00 3.48 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 0.00 238 I 8.25 3.01 2.01 0.00 0.00 1.00 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 1.04 0.73 0.00 0.00 239 K 8.15 3.74 0.00 1.71 1.78 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.60 7.81 240 Q 7.93 3.91 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.97 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 241 T 7.60 3.74 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 0.78 0.00 0.00 242 I 7.26 2.48 0.56 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.76 -0.45 0.00 0.00 243 A 7.44 4.03 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 0.00 244 S 7.26 4.67 0.00 3.76 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 0.00 245 N 7.90 4.71 0.00 2.96 3.02 0.00 0.00 6.93 7.42 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 * Residues marked with a * may have inaccurate shift predictions.