NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4580 8.3049 118.1980 54.2771 33.2312 174.7876 2 K 4.3600 8.0378 119.4139 54.6612 33.9374 173.7534 3 T 4.6230 9.1546 122.3650 60.9611 71.6347 172.5809 4 P 4.4603 0.0000 0.0000 65.3108 32.6178 176.9142 5 L 4.5682 7.8767 118.5859 55.5610 42.1844 177.2088 6 V 4.7577 9.4254 122.1989 61.5627 35.6500 174.0544 7 T 4.3990 8.6302 116.4679 61.5240 69.6918 175.5466 8 R 3.9873 8.7250 121.9799 59.4933 29.6181 178.9983 9 E 4.1018 8.3609 117.9739 59.6921 29.5787 179.5462 10 G 3.9090 8.3067 104.9170 47.8860 0.0000 174.8553 11 Y 4.0706 7.9438 121.2044 60.8713 38.8374 177.4452 12 E 3.9827 8.1070 119.2879 59.6961 29.5699 179.7108 13 K 3.9522 7.7861 116.8659 59.6011 32.2889 179.0963 14 L 3.9711 7.6974 118.6633 58.0413 41.5310 180.0803 15 K 3.8561 7.8914 118.0081 59.4070 32.0421 178.9918 16 Q 3.9791 8.2434 120.1818 59.4033 28.8013 178.2920 17 E 3.9916 8.8238 119.6277 59.5619 29.6231 178.9464 18 L 3.6853 7.8948 119.7146 58.3158 41.9758 178.8851 19 N 4.2685 8.1748 116.9393 56.9791 38.9960 176.4071 20 Y 4.0446 8.6505 121.2107 60.3362 38.7821 177.8304 21 L 3.9091 9.0375 122.4698 57.6972 42.1007 178.4004 22 W 4.4851 8.1705 126.6504 59.1878 30.8741 177.4009 23 R 4.2277 7.9445 116.2094 56.3121 30.3848 177.1288 24 E 4.3109 7.6870 116.6298 57.3415 31.3463 177.2807 25 E 4.1958 7.5823 118.4507 57.8270 30.0183 177.8456 26 R 3.8616 7.9543 119.0731 58.9905 30.1769 176.5991 27 P 4.2293 0.0000 0.0000 65.4791 31.2473 177.9292 28 E 3.8933 7.4800 118.3765 59.3557 29.7063 179.0150 29 V 3.5610 8.0184 118.2083 66.4881 31.5583 178.0004 30 T 3.9262 8.0396 115.4225 66.7319 67.7120 176.6249 31 K 4.2809 7.9710 121.2795 58.6813 31.9580 179.3783 32 K 4.0543 7.9456 119.9707 59.7084 32.1550 178.9449 33 V 3.8175 7.7659 118.0835 66.7341 31.0530 177.8095 34 T 3.9496 7.9009 115.4553 66.3740 68.3215 176.2328 35 W 3.7571 8.2398 128.8319 60.3110 30.6041 177.7741 36 A 4.0215 8.5454 120.9058 55.2899 17.5573 179.5729 37 A 3.2954 7.2344 118.0771 55.0583 18.5468 179.5212 38 S 4.0339 7.4052 111.0315 61.7943 62.8485 176.5591 39 L 4.3024 8.6287 121.9695 57.0356 41.8345 177.6533 40 G 3.9034 7.2343 104.1612 45.6651 0.0000 171.2718 41 D 4.4411 8.0566 119.2304 53.7184 39.8425 177.4398 42 R 4.2414 8.6974 122.0348 59.8790 30.5197 178.2937 43 S 4.2622 8.1616 110.4929 61.3599 62.6486 174.9196 44 E 3.9676 8.2174 119.0999 58.7422 29.3103 176.0964 45 N 4.5588 7.9282 117.2824 52.9379 39.0911 175.2460 46 A 4.2047 8.5454 129.6246 54.0854 18.8252 178.5514 47 D 4.6089 8.1762 117.1360 57.2018 41.0345 178.0988 48 Y 4.3588 8.0971 119.9872 60.7558 38.3889 177.8362 49 Q 3.8367 7.8302 118.7179 58.9293 28.9665 177.7317 50 Y 4.3654 8.4280 120.9422 61.1117 38.9699 178.1263 51 N 4.0424 8.2252 117.1199 55.7090 38.4829 177.4228 52 K 3.8403 7.6400 121.1581 59.0726 32.1419 178.7221 53 K 3.8383 7.9092 119.9142 59.6760 32.2524 178.7162 54 R 3.4215 7.7294 118.7985 59.3215 29.7655 178.0789 55 L 4.1250 7.6205 119.6241 57.7300 41.9338 179.0483 56 R 3.9125 8.0502 118.3864 59.1687 29.9893 178.8429 57 E 3.9838 9.0209 119.2845 59.3085 29.4672 179.4072 58 I 3.6979 8.0751 120.1824 64.7119 37.3853 178.3785 59 D 4.4505 8.2614 119.1715 56.7077 40.5192 178.9073 60 R 3.8297 7.6432 119.8708 59.5493 30.2424 178.5074 61 R 4.0544 8.0783 118.4670 59.3087 30.1576 178.5351 62 V 3.6903 7.8495 118.3516 65.8002 31.2852 178.0354 63 R 3.8071 7.8476 118.2127 59.5105 29.9932 177.6587 64 Y 4.2019 8.0301 119.1863 60.8144 38.8113 177.8868 65 L 3.6852 8.3861 119.9926 58.2390 41.3152 179.4623 66 T 3.8444 7.6315 115.1777 66.8006 68.4692 176.6358 67 K 3.8025 7.7606 120.1934 60.1782 32.7633 179.0535 68 C 4.0863 7.9950 117.7575 62.3376 27.6285 175.9545 69 M 4.1503 7.8072 120.0962 58.4933 31.5994 178.2023 70 E 4.1962 7.6227 117.3081 58.8440 29.8394 178.2238 71 N 4.6802 7.9070 114.3232 53.2705 39.3232 175.4802 72 L 4.5154 7.3346 120.0382 54.5724 42.9523 176.6487 73 K 4.5866 9.4260 120.0536 54.8313 36.0629 175.9783 74 I 5.1655 8.1779 124.5881 60.0205 38.4994 176.1971 75 V 4.2700 8.1599 124.8763 61.2482 30.8659 174.6851 76 D 4.7247 8.2849 122.5071 52.8594 39.7134 173.2716 77 Y 5.0057 8.0125 122.3503 55.3317 41.5756 175.1458 78 S 4.4711 7.1741 122.3206 55.8569 65.2540 172.7376 79 P 3.7052 0.0000 0.0000 65.9320 30.3883 177.4784 80 Q 3.6187 6.4645 113.9850 59.9910 29.0797 178.3040 81 Q 4.3389 10.7000 127.4047 55.0655 27.6901 174.7411 82 E 4.6046 8.5556 123.6917 53.9955 32.9911 174.3089 83 G 4.4482 9.3248 111.6386 45.7438 0.0000 174.0653 84 K 4.1705 7.4136 118.5735 54.5540 33.1436 177.4010 85 V 3.4750 8.6750 123.0354 66.3735 31.1884 179.6574 86 F 3.2501 5.8424 107.2508 56.1244 40.8883 175.1946 87 F 5.2944 8.8271 122.2666 56.0554 43.0777 174.1498 88 G 3.8226 7.3795 109.9076 46.2467 0.0000 172.8361 89 A 4.0155 7.4823 120.6385 49.1179 21.3659 176.9682 90 W 4.3588 8.6830 123.8719 56.7988 30.0369 175.8549 91 V 4.8911 8.9317 125.3695 60.9884 34.3044 173.9648 92 E 4.6902 8.3569 124.6839 54.4303 32.3589 175.0971 93 I 5.2105 7.7874 115.6936 59.3604 41.6737 173.7862 94 E 5.1114 9.1819 121.5279 53.8116 33.4724 174.5663 95 N 5.0359 8.5039 118.9002 51.9082 42.3692 174.9869 96 D 4.3186 8.7465 124.0792 57.8307 40.9994 177.7736 97 D 4.4701 7.8927 115.2223 55.0883 41.1294 176.5323 98 G 4.1173 7.7469 108.5029 45.9140 0.0000 174.3822 99 V 4.1845 7.9917 119.4560 61.1983 32.5293 173.9155 100 T 4.9649 8.4050 117.4355 59.2403 69.5021 173.0278 101 H 5.0316 8.5028 125.6148 54.5973 33.5100 173.0041 102 R 4.6518 9.1327 122.4618 54.2445 31.3994 175.4561 103 F 4.9368 7.5238 116.3926 56.7461 39.5883 172.4619 104 R 4.7456 7.6465 121.3152 53.5640 32.3787 174.8825 105 I 4.2550 7.8389 126.4313 60.6845 38.6734 175.2579 106 V 4.3232 8.6062 119.6457 59.1656 36.6131 175.1920 107 G 4.0800 8.5933 110.6537 45.5877 0.0000 173.4728 108 Y 4.2907 8.7077 121.9942 60.4247 38.9870 176.6417 109 D 4.1887 7.9634 117.7736 56.9149 41.2267 177.0803 110 E 4.1178 7.7252 124.0329 53.9331 30.6913 174.2740 111 I 4.3527 7.2727 121.6960 58.8761 41.2624 174.2704 112 F 5.0010 8.4464 124.2471 56.0018 43.1098 175.3335 113 G 3.6486 8.7804 106.3060 47.0139 0.0000 175.1092 114 R 4.0977 7.8394 119.4521 58.2042 30.7141 178.0509 115 K 4.3363 8.1397 119.1636 58.2657 32.8852 176.8567 116 D 4.6305 7.8373 115.9810 52.3633 41.9486 174.9574 117 Y 4.8727 9.0444 123.3667 56.7379 38.7560 175.5298 118 I 4.4862 7.3862 120.2149 60.5441 41.0555 175.5671 119 S 5.6098 8.4122 121.2655 56.8302 64.2601 174.2280 120 I 3.8731 8.4916 122.2211 63.8164 39.1267 177.2545 121 D 4.9024 8.1109 120.5334 54.5044 40.5384 175.7911 122 S 4.7415 8.1777 113.7898 55.6152 65.2895 172.4952 123 P 4.1244 0.0000 0.0000 66.6275 31.0152 178.2137 124 M 3.8421 7.9235 115.5539 58.9238 31.8398 178.2341 125 A 3.9529 7.3781 119.1930 54.8183 18.8368 179.7341 126 R 3.9883 8.1941 117.0984 59.3016 30.0498 178.7093 127 A 4.0224 7.9610 119.3957 55.4848 18.6417 179.5501 128 L 4.1648 8.1179 114.9671 57.3592 41.5430 178.6669 129 L 3.7086 7.5623 117.5729 56.8387 42.7607 175.9493 130 K 4.6052 7.6633 125.0414 53.9854 32.8374 174.9046 131 K 4.5707 7.8394 119.9372 53.7804 36.4165 176.1148 132 E 4.0883 8.6774 123.3536 56.0556 29.9701 177.8282 133 V 3.8151 8.2714 114.1490 63.8349 31.9146 177.4531 134 G 4.3572 7.6534 107.1939 44.1455 0.0000 172.4583 135 D 4.8121 8.1819 119.3968 53.0579 44.2974 175.6305 136 L 5.4822 8.2463 121.5827 53.3970 41.7783 176.0338 137 A 4.7544 9.3014 126.8994 50.8619 20.5608 176.2895 138 V 5.0363 8.3957 119.7069 60.1987 34.6226 175.4979 139 V 4.6777 8.9364 115.0619 60.1718 36.0787 173.8752 140 N 5.6579 8.5488 121.0536 52.2090 42.6132 173.2692 141 T 4.3249 9.4784 114.2969 61.3408 70.7172 172.4596 142 P 3.4235 0.0000 0.0000 64.0443 32.0966 176.2397 143 A 4.2386 8.1801 128.1974 52.7225 20.3067 178.1308 144 G 3.8322 7.8624 106.5276 44.5298 0.0000 172.4083 145 E 4.9856 8.4435 124.0921 53.9810 31.6923 175.4170 146 A 4.3860 8.7221 124.4971 50.3672 23.1946 174.7960 147 S 4.9944 7.8259 115.6229 56.2605 65.3390 173.4712 148 W 5.3261 9.6555 122.8503 55.1534 34.0945 173.4135 149 Y 5.5770 8.5053 119.8360 56.2162 40.1589 175.3921 150 V 3.6147 8.8188 125.3357 63.5725 32.1279 174.2289 151 N 4.8479 9.4564 128.2599 53.8390 38.4561 173.9437 152 A 4.8078 7.7110 117.7163 50.1188 23.6114 174.4357 153 I 4.7870 8.4412 121.5852 59.6515 39.4172 174.9944 154 E 4.6708 9.0071 126.9081 54.7895 32.5503 174.7160 155 Y 4.6798 8.8911 123.0954 56.3811 39.4971 176.2824 156 V 4.0426 8.3315 123.3833 63.1846 31.8161 174.2655 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 M 8.30 4.46 0.00 2.14 2.28 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.65 0.00 2 K 8.04 4.36 0.00 1.81 1.80 0.00 1.61 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.64 7.81 3 T 9.15 4.62 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 1.26 0.00 0.00 4 P 0.00 4.46 0.00 2.05 2.34 0.00 3.60 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 5 L 7.88 4.57 0.00 1.48 1.53 0.65 0.58 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 6 V 9.43 4.76 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 1.14 0.00 0.00 1.01 0.00 0.00 7 T 8.63 4.40 4.69 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 1.23 0.00 0.00 8 R 8.72 3.99 0.00 1.91 2.09 0.00 3.34 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.95 0.00 9 E 8.36 4.10 0.00 2.13 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 2.47 2.52 0.00 10 G 8.31 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 11 Y 7.94 4.07 0.00 3.21 3.17 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 12 E 8.11 3.98 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.83 0.00 13 K 7.79 3.95 0.00 2.10 1.93 0.00 1.77 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.51 7.81 14 L 7.70 3.97 0.00 1.59 1.60 0.99 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 15 K 7.89 3.86 0.00 1.90 1.79 0.00 1.53 0.00 0.00 1.53 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.10 1.11 7.81 16 Q 8.24 3.98 0.00 2.31 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 17 E 8.82 3.99 0.00 2.22 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 2.47 0.00 18 L 7.89 3.69 0.00 1.81 1.81 0.98 0.67 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 19 N 8.17 4.27 0.00 2.98 3.04 0.00 0.00 6.72 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 8.65 4.04 0.00 3.11 3.16 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 21 L 9.04 3.91 0.00 2.10 1.75 1.23 0.40 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 22 W 8.17 4.49 0.00 3.23 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 23 R 7.94 4.23 0.00 1.72 1.73 0.00 2.80 0.00 0.00 2.38 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.40 0.00 24 E 7.69 4.31 0.00 1.65 1.52 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 0.00 2.21 2.21 0.00 25 E 7.58 4.20 0.00 1.55 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 2.24 2.27 0.00 26 R 7.95 3.86 0.00 1.96 2.12 0.00 3.36 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 27 P 0.00 4.23 0.00 2.16 2.07 0.00 3.66 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 2.23 2.13 0.00 28 E 7.48 3.89 0.00 2.18 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 2.31 2.33 0.00 29 V 8.02 3.56 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 0.98 0.00 0.00 0.96 0.00 0.00 30 T 8.04 3.93 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 31 K 7.97 4.28 0.00 2.21 1.94 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.41 7.81 32 K 7.95 4.05 0.00 1.86 1.85 0.00 1.58 0.00 0.00 1.61 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.59 7.81 33 V 7.77 3.82 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 1.11 0.00 0.00 1.06 0.00 0.00 34 T 7.90 3.95 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 1.20 0.00 0.00 35 W 8.24 3.76 0.00 3.61 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.55 4.02 1.55 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 37 A 7.23 3.30 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 S 7.41 4.03 0.00 3.71 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 39 L 8.63 4.30 0.00 1.87 1.84 1.04 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.23 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 0.00 0.00 0.00 41 D 8.06 4.44 0.00 2.89 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 42 R 8.70 4.24 0.00 1.90 2.23 0.00 3.30 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.78 0.00 43 S 8.16 4.26 0.00 3.87 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 44 E 8.22 3.97 0.00 1.99 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 2.27 0.00 45 N 7.93 4.56 0.00 3.25 2.85 0.00 0.00 6.97 8.03 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 46 A 8.55 4.20 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 47 D 8.18 4.61 0.00 2.85 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.10 4.36 0.00 3.03 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 49 Q 7.83 3.84 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 50 Y 8.43 4.37 0.00 3.05 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 51 N 8.23 4.04 0.00 3.04 2.81 0.00 0.00 6.72 7.06 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 52 K 7.64 3.84 0.00 1.61 1.78 0.00 1.43 0.00 0.00 1.45 0.00 0.00 2.72 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.33 1.32 7.81 53 K 7.91 3.84 0.00 1.90 1.99 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.18 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.46 7.81 54 R 7.73 3.42 0.00 1.44 1.67 0.00 3.01 0.00 0.00 3.11 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 55 L 7.62 4.13 0.00 1.73 1.84 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 56 R 8.05 3.91 0.00 2.04 1.94 0.00 3.15 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 57 E 9.02 3.98 0.00 2.10 2.01 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 2.33 2.47 0.00 58 I 8.08 3.70 2.05 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 1.57 0.94 0.94 0.00 0.00 59 D 8.26 4.45 0.00 2.75 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 60 R 7.64 3.83 0.00 2.13 2.02 0.00 3.09 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 61 R 8.08 4.05 0.00 2.06 1.98 0.00 3.39 0.00 0.00 3.28 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.78 0.00 62 V 7.85 3.69 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 0.85 0.00 0.00 0.99 0.00 0.00 63 R 7.85 3.81 0.00 2.06 2.18 0.00 3.18 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 64 Y 8.03 4.20 0.00 3.02 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.39 3.69 0.00 1.94 1.67 0.92 0.82 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 66 T 7.63 3.84 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 1.15 0.00 0.00 67 K 7.76 3.80 0.00 1.91 2.03 0.00 1.35 0.00 0.00 1.69 0.00 0.00 3.32 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.57 1.40 7.81 68 C 8.00 4.09 0.00 2.71 2.78 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 69 M 7.81 4.15 0.00 2.00 2.29 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.32 0.00 70 E 7.62 4.20 0.00 1.95 2.01 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 2.35 2.42 0.00 71 N 7.91 4.68 0.00 2.70 2.85 0.00 0.00 7.08 7.86 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 72 L 7.33 4.52 0.00 1.84 1.70 1.00 0.92 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 73 K 9.43 4.59 0.00 1.56 1.58 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.36 7.81 74 I 8.18 5.17 1.80 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.65 0.84 0.00 0.00 75 V 8.16 4.27 2.45 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 1.03 0.00 0.00 1.08 0.00 0.00 76 D 8.28 4.72 0.00 2.70 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Y 8.01 5.01 0.00 2.92 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 S 7.17 4.47 0.00 3.62 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.71 0.00 1.96 2.12 0.00 3.59 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 2.02 2.34 0.00 80 Q 6.46 3.62 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.19 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 81 Q 10.70 4.34 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.62 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 82 E 8.56 4.60 0.00 2.09 1.86 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 2.34 2.46 0.00 83 G 9.32 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 84 K 7.41 4.17 0.00 1.51 1.19 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.69 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.43 7.81 85 V 8.67 3.47 2.19 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 0.93 0.00 0.00 0.96 0.00 0.00 86 F 5.84 3.25 0.00 3.36 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 87 F 8.83 5.29 0.00 2.98 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 88 G 7.38 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 0.00 0.00 0.00 89 A 7.48 4.02 0.69 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 0.00 0.00 90 W 8.68 4.36 0.00 3.44 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 V 8.93 4.89 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 0.91 0.00 0.00 0.97 0.00 0.00 92 E 8.36 4.69 0.00 1.89 1.72 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 2.14 2.17 0.00 93 I 7.79 5.21 1.96 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.75 0.79 0.00 0.00 94 E 9.18 5.11 0.00 2.13 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 2.19 0.00 95 N 8.50 5.04 0.00 3.12 2.71 0.00 0.00 6.95 8.49 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 96 D 8.75 4.32 0.00 2.64 2.68 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 97 D 7.89 4.47 0.00 2.65 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 98 G 7.75 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 0.00 0.00 0.00 99 V 7.99 4.18 2.29 0.00 0.00 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 1.05 0.00 0.00 100 T 8.40 4.96 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 1.25 0.00 0.00 101 H 8.50 5.03 0.00 3.18 3.10 0.00 5.66 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 R 9.13 4.65 0.00 2.04 1.99 0.00 2.89 0.00 0.00 2.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.90 0.00 103 F 7.52 4.94 0.00 2.84 2.93 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 0.00 104 R 7.65 4.75 0.00 0.67 0.66 0.00 2.52 0.00 0.00 2.25 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.85 0.00 105 I 7.84 4.25 1.82 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 1.23 0.83 0.98 0.00 0.00 106 V 8.61 4.32 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 0.45 0.00 0.00 0.98 0.00 0.00 107 G 8.59 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 Y 8.71 4.29 0.00 2.83 2.93 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 0.00 109 D 7.96 4.19 0.00 2.61 2.67 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 0.00 110 E 7.73 4.12 0.00 1.90 1.73 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 2.16 2.26 0.00 111 I 7.27 4.35 1.98 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 1.63 1.13 1.01 0.00 0.00 112 F 8.45 5.00 0.00 3.04 2.96 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 0.00 113 G 8.78 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 0.00 0.00 0.00 114 R 7.84 4.10 0.00 1.89 1.91 0.00 2.53 0.00 0.00 2.45 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.49 0.00 115 K 8.14 4.34 0.00 1.86 1.93 0.00 1.88 0.00 0.00 1.86 0.00 0.00 3.17 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.59 7.81 116 D 7.84 4.63 0.00 2.65 2.01 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 0.00 117 Y 9.04 4.87 0.00 3.04 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 0.00 118 I 7.39 4.49 1.72 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 0.85 0.22 0.59 0.00 0.00 119 S 8.41 5.61 0.00 3.90 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 I 8.49 3.87 2.23 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.32 1.04 0.00 0.00 121 D 8.11 4.90 0.00 2.71 2.68 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 0.00 122 S 8.18 4.74 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 0.00 123 P 0.00 4.12 0.00 2.13 2.15 0.00 3.53 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 2.09 2.16 0.00 124 M 7.92 3.84 0.00 1.62 1.69 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 1.77 0.00 125 A 7.38 3.95 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 0.00 126 R 8.19 3.99 0.00 1.95 1.99 0.00 3.30 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.77 0.00 127 A 7.96 4.02 1.40 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 0.00 128 L 8.12 4.16 0.00 1.96 1.80 1.02 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 129 L 7.56 3.71 0.00 2.06 1.61 1.04 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 130 K 7.66 4.61 0.00 1.79 1.74 0.00 1.87 0.00 0.00 1.82 0.00 0.00 3.24 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.36 1.60 7.81 131 K 7.84 4.57 0.00 1.70 1.67 0.00 1.91 0.00 0.00 1.93 0.00 0.00 2.94 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.36 1.43 7.81 132 E 8.68 4.09 0.00 2.04 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 2.38 2.41 0.00 133 V 8.27 3.82 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 0.75 0.00 0.00 0.93 0.00 0.00 134 G 7.65 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 0.00 0.00 0.00 0.00 135 D 8.18 4.81 0.00 2.75 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 0.00 136 L 8.25 5.48 0.00 1.70 2.06 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 137 A 9.30 4.75 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 0.00 138 V 8.40 5.04 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 0.82 0.00 0.00 1.06 0.00 0.00 139 V 8.94 4.68 2.24 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 1.24 0.00 0.00 1.27 0.00 0.00 140 N 8.55 5.66 0.00 2.56 2.67 0.00 0.00 6.79 7.54 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 0.00 141 T 9.48 4.32 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 1.28 0.00 0.00 142 P 0.00 3.42 0.00 2.09 1.84 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.14 0.00 143 A 8.18 4.24 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 0.00 144 G 7.86 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 0.00 145 E 8.44 4.99 0.00 1.89 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 146 A 8.72 4.39 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 0.00 0.00 0.00 0.00 0.00 0.00 147 S 7.83 4.99 0.00 3.62 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 0.00 148 W 9.66 5.33 0.00 3.41 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 0.00 149 Y 8.51 5.58 0.00 2.98 2.92 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 0.00 150 V 8.82 3.61 2.13 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 0.96 0.00 0.00 1.01 0.00 0.00 151 N 9.46 4.85 0.00 2.93 2.67 0.00 0.00 6.97 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 0.00 152 A 7.71 4.81 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 0.00 153 I 8.44 4.79 1.92 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 1.33 0.51 0.87 0.00 0.00 154 E 9.01 4.67 0.00 1.92 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 2.21 2.26 0.00 155 Y 8.89 4.68 0.00 2.86 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 0.00 156 V 8.33 4.04 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 0.75 0.00 0.00 0.97 0.00 0.00