NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.9470 8.0549 120.3903 62.5438 32.5838 175.3187 2 L 4.1473 8.1014 121.9132 51.3684 40.3279 176.1591 3 S 4.3289 9.1676 120.5922 57.3272 65.8902 172.8520 4 P 4.1658 0.0000 0.0000 66.0091 31.0162 178.7066 5 A 4.0918 8.0177 118.6817 55.1838 18.2422 179.2456 6 D 4.7963 7.8232 118.3131 57.0145 40.9411 178.9360 7 K 3.7984 7.9006 118.8157 59.9991 32.1411 179.3801 8 T 3.8508 8.3383 116.0460 66.7595 68.2806 176.4820 9 N 4.3235 8.3371 118.3710 56.1818 38.5251 177.7057 10 V 3.4765 8.1784 119.8422 66.0262 31.6677 177.9970 11 K 3.7299 8.0494 118.0196 59.4518 31.6447 178.9280 12 A 3.9627 7.7544 119.5621 55.3907 18.6240 179.3232 13 A 4.1433 8.4291 119.4506 54.9933 18.4892 179.7026 14 W 4.3197 9.3495 128.2516 60.2477 30.4717 178.2949 15 G 4.0090 8.0355 101.4447 45.2050 0.0000 173.9228 16 K 4.5202 7.4244 117.8749 55.5341 34.2332 177.6820 17 V 3.5461 8.2487 120.2245 63.6740 32.4588 177.0339 18 G 3.5687 7.4109 107.1767 46.8336 0.0000 175.4009 19 A 4.1220 8.5231 126.4388 53.7765 18.6941 178.4229 20 H 4.0409 7.9834 112.5370 55.7357 28.6185 176.7142 21 A 3.8947 7.7942 124.1852 55.5117 18.0816 179.9230 22 G 3.5377 7.9190 103.0750 47.2585 0.0000 175.5977 23 E 3.8506 7.6901 121.1995 59.6731 29.7691 178.4145 24 Y 4.4611 8.1066 117.3512 60.9084 37.7477 178.5575 25 G 3.7549 8.5811 106.9066 47.8615 0.0000 175.6722 26 A 4.0774 8.2980 123.3815 54.6792 18.4229 179.3074 27 E 3.8799 8.5809 117.9312 59.3770 29.7274 178.8621 28 A 4.0509 8.3567 122.5235 54.5648 18.3607 179.6166 29 L 3.5411 7.6255 117.5186 57.7297 41.6862 179.3119 30 E 4.0062 8.5019 119.6187 59.3896 29.5617 178.9719 31 R 3.8779 8.5299 118.3683 59.4211 30.1301 178.7313 32 M 4.1273 8.2087 118.1770 58.7895 32.3563 178.2568 33 F 4.5829 7.7731 119.6108 59.9270 38.8302 177.5132 34 L 3.9743 7.8231 118.9299 58.4516 42.0633 178.9892 35 S 4.0910 7.7201 113.6191 59.8814 64.1162 174.7304 36 F 4.9185 8.0304 120.0508 53.5169 39.5069 173.2498 37 P 4.8840 0.0000 0.0000 65.0555 31.2616 178.5096 38 T 4.0124 8.1190 115.7244 66.7089 67.8841 176.1577 39 T 4.2616 8.4802 112.1085 64.9550 68.6020 176.4702 40 K 3.9755 8.3412 120.8304 59.0527 31.7808 178.6896 41 T 4.0696 7.7032 108.4805 63.6565 68.8804 175.3400 42 Y 4.0711 7.8341 118.3674 58.5840 39.6834 175.0935 43 F 4.6573 8.1242 118.6703 55.5593 39.2406 174.4434 44 P 4.4345 0.0000 0.0000 65.0264 31.7805 177.3106 45 H 4.9610 8.2580 114.3249 55.6257 29.5520 174.2344 46 F 4.7426 8.2258 118.5826 56.6041 39.9609 174.9315 47 D 4.6713 9.5795 124.2085 53.4123 40.9696 176.0101 48 L 4.4833 8.3178 126.0200 54.2552 42.1061 177.0913 49 S 4.3153 8.6991 115.0679 59.0470 64.2985 175.5651 50 H 3.4401 8.4623 113.4579 58.1271 30.6269 174.8216 51 G 3.9462 8.9221 104.0833 45.4844 0.0000 174.5066 52 S 4.1128 8.1190 113.6668 58.6556 64.1581 174.3497 53 A 4.0598 8.5521 129.1433 55.3158 18.2631 180.1470 54 Q 4.0108 8.0544 116.2443 59.0207 28.7634 179.1178 55 V 3.7602 7.8577 118.8790 65.8754 31.7576 178.0916 56 K 4.0296 8.0911 118.2558 59.6149 31.7634 179.2065 57 G 3.6807 8.7156 106.0128 48.3605 0.0000 175.2050 58 H 4.3683 9.2817 121.8584 58.0852 29.7720 177.6711 59 G 3.6869 8.7625 108.2827 47.7863 0.0000 175.4623 60 K 3.9314 7.9234 121.1465 59.1978 32.1343 179.1365 61 K 3.8825 7.7478 118.2809 59.7202 32.1962 179.2699 62 V 3.6142 7.8565 117.8224 66.1200 31.4373 177.6015 63 A 4.4143 8.3317 120.4821 55.8292 18.2384 179.4309 64 D 4.4940 8.6103 117.0382 57.3184 40.8030 178.8665 65 A 4.1027 8.3422 121.3676 54.7729 18.2211 179.8083 66 L 3.8246 7.8059 117.5532 58.1929 41.8156 179.4594 67 T 4.0070 8.1069 115.7093 66.9394 68.2421 176.1395 68 N 4.4644 8.2294 117.3143 56.2772 38.9986 176.5199 69 A 4.1937 7.5036 122.0274 55.2959 18.6465 178.9716 70 V 3.4333 8.1384 117.0223 65.7454 32.5413 176.4497 71 A 4.3845 8.1580 123.1822 50.4359 16.7515 177.0501 72 H 5.2321 7.8745 125.8621 55.2458 32.0288 177.3852 73 V 3.6527 8.2398 122.0671 65.2470 30.7878 177.3349 74 D 4.6179 8.0002 116.8858 55.4711 41.1321 176.2408 75 D 4.7742 8.7539 120.7524 53.1672 41.6457 177.0555 76 M 4.0601 8.6564 119.3258 57.8238 32.1255 177.1494 77 P 4.1661 0.0000 0.0000 65.1597 31.9269 176.9431 78 N 4.6138 8.6725 115.4757 55.3850 39.1902 177.3330 79 A 4.3438 7.4631 115.3185 52.8026 17.7281 178.3158 80 L 4.5753 8.3743 114.8244 55.5816 45.1541 177.4550 81 S 4.8301 8.8021 117.2554 61.0678 62.0131 176.1711 82 A 4.0083 7.9390 122.7051 55.1678 18.1603 179.4859 83 L 4.0777 7.8997 117.0400 57.8236 41.6492 179.5049 84 S 4.1892 8.0110 113.1817 61.3849 62.2555 175.9301 85 D 4.3577 7.9559 121.9255 56.9918 40.4309 178.4921 86 L 3.9304 7.8864 120.9438 58.6698 42.2451 178.8389 87 H 4.2247 9.0112 116.4464 58.4328 28.8399 177.5404 88 A 4.1488 8.2965 122.6384 55.0779 18.6656 179.0030 89 H 4.1686 8.0256 114.7147 59.2764 30.2602 177.0650 90 K 4.0251 8.1003 120.2879 59.4453 32.4103 177.9217 91 L 4.2076 8.0663 116.4853 54.8289 42.1882 176.9379 92 R 3.8442 7.3938 115.7398 56.8876 28.1563 177.1250 93 V 3.3149 7.8503 117.1817 62.1887 31.9021 174.9940 94 D 4.4613 8.9542 128.0993 54.0321 41.8284 175.2871 95 P 4.6369 0.0000 0.0000 66.4461 30.7307 178.8035 96 V 3.6726 8.3316 118.5062 64.6894 31.1070 178.1207 97 N 4.1573 8.1738 117.2472 56.0807 38.1604 177.2579 98 F 4.0494 7.8964 118.7951 60.1488 38.9033 177.8296 99 K 4.0188 7.9382 118.3323 59.0597 31.7756 179.4785 100 L 3.6964 7.4418 118.9953 57.5671 41.6732 179.0434 101 L 3.9330 7.8218 120.2804 58.1842 42.0391 179.0211 102 S 4.2141 8.3110 115.3745 61.9579 62.7205 176.2526 103 H 4.3056 8.3467 120.9189 59.4820 29.5270 177.2041 104 C 4.1144 8.2822 118.6697 62.4722 27.8442 176.0903 105 L 4.0262 8.5304 121.1136 57.7042 41.2317 179.2571 106 L 4.0896 7.9908 118.8956 57.9454 41.6659 179.6755 107 V 3.3249 7.7249 117.8335 66.4067 31.0412 177.9946 108 T 3.7733 8.0030 115.5035 66.7988 68.2115 176.5836 109 L 3.8313 8.0033 120.5671 57.5196 41.3854 179.4424 110 A 3.1699 7.4551 120.2107 54.5971 18.2374 179.2818 111 A 3.9142 8.0890 118.2041 54.3767 18.4297 178.4331 112 H 4.5288 7.3605 113.5444 55.6413 31.8677 175.0749 113 L 4.7997 8.0989 120.0863 52.0054 41.6488 174.7631 114 P 4.1924 0.0000 0.0000 66.1190 31.4410 179.2203 115 A 4.1474 7.9622 120.2861 53.2086 18.5834 177.6377 116 E 4.2453 8.0852 116.1132 57.9635 30.8139 176.9577 117 F 4.4683 7.8154 121.9279 57.6341 37.4055 174.9339 118 T 4.3585 7.2346 114.1559 60.1888 71.9619 173.4828 119 P 4.2942 0.0000 0.0000 66.1282 31.4298 178.8026 120 A 3.9594 7.8446 118.6629 54.9957 18.2879 179.7004 121 V 3.5492 7.5411 117.0395 65.9986 31.4999 177.6980 122 H 3.5639 9.1493 118.3847 59.0931 29.6040 176.9630 123 A 3.9127 7.9251 122.4164 55.4478 18.1711 179.8521 124 S 4.2467 7.9441 113.3218 61.3848 62.8259 176.8421 125 L 4.0694 8.1697 121.9505 58.0040 41.4985 178.9089 126 D 4.4005 8.4424 118.1611 57.4929 41.2594 178.3534 127 K 4.0175 8.0928 119.9189 59.2611 32.0104 178.4508 128 F 4.2588 8.3566 121.4097 61.1010 39.4083 176.8501 129 L 3.5447 8.4263 118.5405 57.8994 41.4326 179.5778 130 A 3.9414 8.0498 120.2890 55.4019 18.3415 179.9525 131 S 3.9413 7.7543 113.2145 61.4546 62.7662 177.0330 132 V 3.3122 7.6156 121.2765 66.0404 31.0702 178.2835 133 S 3.7205 8.1845 115.2009 61.6529 62.3897 176.7112 134 T 3.6746 7.5413 117.5481 66.5830 68.4437 176.4347 135 V 3.8572 7.4458 121.1568 65.4854 31.4040 178.0193 136 L 3.9413 7.7563 117.2374 56.6050 41.3580 178.3910 137 T 4.3010 6.6320 107.8236 60.4794 69.6599 174.8476 138 S 4.2830 7.3726 118.7533 58.8127 63.5022 173.3817 139 K 5.0047 8.0244 121.2098 55.2706 35.2235 174.6777 140 Y 4.7016 8.2974 124.7481 57.6375 41.5204 174.1442 141 R 3.7150 7.6733 123.4055 56.1906 30.0857 176.1499 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 V 8.05 3.95 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 0.98 0.00 0.00 0.91 0.00 0.00 2 L 8.10 4.15 0.00 1.78 1.65 0.99 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.17 4.33 0.00 4.03 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 4 P 0.00 4.17 0.00 2.17 2.15 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 5 A 8.02 4.09 1.30 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 6 D 7.82 4.80 0.00 2.86 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 7 K 7.90 3.80 0.00 1.98 1.83 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.13 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.73 7.81 8 T 8.34 3.85 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 1.20 0.00 0.00 9 N 8.34 4.32 0.00 2.94 2.84 0.00 0.00 6.67 7.43 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 10 V 8.18 3.48 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 0.16 0.00 0.00 0.81 0.00 0.00 11 K 8.05 3.73 0.00 1.90 1.86 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.52 7.81 12 A 7.75 3.96 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 13 A 8.43 4.14 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 14 W 9.35 4.32 0.00 3.29 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 15 G 8.04 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 16 K 7.42 4.52 0.00 1.94 1.78 0.00 1.87 0.00 0.00 1.62 0.00 0.00 3.18 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.34 1.70 7.81 17 V 8.25 3.55 1.25 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 0.51 0.00 0.00 -0.45 0.00 0.00 18 G 7.41 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 19 A 8.52 4.12 1.25 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 20 H 7.98 4.04 0.00 2.83 1.42 0.00 5.67 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.79 3.89 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 22 G 7.92 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 23 E 7.69 3.85 0.00 1.77 1.60 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 2.36 2.31 0.00 24 Y 8.11 4.46 0.00 2.92 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 25 G 8.58 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 0.00 0.00 0.00 26 A 8.30 4.08 1.43 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 27 E 8.58 3.88 0.00 2.21 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 2.37 0.00 28 A 8.36 4.05 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 29 L 7.63 3.54 0.00 1.79 1.45 1.01 0.60 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 30 E 8.50 4.01 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 31 R 8.53 3.88 0.00 2.03 1.93 0.00 3.14 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 32 M 8.21 4.13 0.00 1.73 1.96 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.49 0.00 33 F 7.77 4.58 0.00 3.08 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 34 L 7.82 3.97 0.00 1.89 1.66 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 35 S 7.72 4.09 0.00 3.43 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 36 F 8.03 4.92 0.00 3.13 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 37 P 0.00 4.88 0.00 2.30 2.38 0.00 3.92 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.96 0.00 38 T 8.12 4.01 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 39 T 8.48 4.26 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 1.34 0.00 0.00 40 K 8.34 3.98 0.00 1.92 1.75 0.00 1.48 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.21 1.69 7.81 41 T 7.70 4.07 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 1.22 0.00 0.00 42 Y 7.83 4.07 0.00 3.26 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 43 F 8.12 4.66 0.00 2.76 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 44 P 0.00 4.43 0.00 2.09 2.14 0.00 3.37 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.18 0.00 45 H 8.26 4.96 0.00 3.27 3.36 0.00 5.71 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 46 F 8.23 4.74 0.00 3.13 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 47 D 9.58 4.67 0.00 2.59 2.60 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 48 L 8.32 4.48 0.00 1.46 1.29 0.09 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.70 4.32 0.00 4.01 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 50 H 8.46 3.44 0.00 3.14 3.10 0.00 5.92 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 51 G 8.92 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 52 S 8.12 4.11 0.00 3.92 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 53 A 8.55 4.06 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 54 Q 8.05 4.01 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.87 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 55 V 7.86 3.76 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 1.15 0.00 0.00 1.05 0.00 0.00 56 K 8.09 4.03 0.00 2.08 1.88 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.66 7.81 57 G 8.72 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 0.00 0.00 0.00 58 H 9.28 4.37 0.00 3.80 3.58 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.76 3.69 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 0.00 60 K 7.92 3.93 0.00 1.91 1.92 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.81 1.70 7.81 61 K 7.75 3.88 0.00 1.87 1.88 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.51 1.51 7.81 62 V 7.86 3.61 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.08 0.00 0.00 63 A 8.33 4.41 1.60 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 0.00 0.00 64 D 8.61 4.49 0.00 2.77 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 65 A 8.34 4.10 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 66 L 7.81 3.82 0.00 1.67 0.86 0.86 0.20 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 67 T 8.11 4.01 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 1.41 0.00 0.00 68 N 8.23 4.46 0.00 2.76 2.87 0.00 0.00 7.24 7.29 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 69 A 7.50 4.19 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 70 V 8.14 3.43 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.59 0.00 0.00 71 A 8.16 4.38 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 72 H 7.87 5.23 0.00 3.65 3.34 0.00 5.85 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 8.24 3.65 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 0.71 0.00 0.00 0.97 0.00 0.00 74 D 8.00 4.62 0.00 2.67 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 75 D 8.75 4.77 0.00 2.59 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 M 8.66 4.06 0.00 2.08 2.08 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 2.92 2.90 0.00 77 P 0.00 4.17 0.00 1.95 1.94 0.00 3.63 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 1.95 2.03 0.00 78 N 8.67 4.61 0.00 3.22 2.88 0.00 0.00 6.71 7.34 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 79 A 7.46 4.34 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.37 4.58 0.00 1.64 1.58 0.82 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.80 4.83 0.00 4.00 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 82 A 7.94 4.01 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 83 L 7.90 4.08 0.00 1.85 1.82 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 84 S 8.01 4.19 0.00 3.95 4.09 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 85 D 7.96 4.36 0.00 2.82 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 86 L 7.89 3.93 0.00 1.78 1.84 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 87 H 9.01 4.22 0.00 3.30 3.59 0.00 5.85 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 A 8.30 4.15 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 89 H 8.03 4.17 0.00 3.14 3.65 0.00 5.93 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 90 K 8.10 4.03 0.00 1.82 2.04 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.47 7.81 91 L 8.07 4.21 0.00 1.83 1.72 0.77 0.98 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 92 R 7.39 3.84 0.00 2.07 2.04 0.00 3.35 0.00 0.00 3.44 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 93 V 7.85 3.31 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 -0.39 0.00 0.00 0.78 0.00 0.00 94 D 8.95 4.46 0.00 2.84 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.64 0.00 2.34 2.37 0.00 3.81 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 96 V 8.33 3.67 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 0.91 0.00 0.00 0.85 0.00 0.00 97 N 8.17 4.16 0.00 2.28 2.49 0.00 0.00 6.88 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 98 F 7.90 4.05 0.00 3.15 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 99 K 7.94 4.02 0.00 1.82 1.81 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.48 7.81 100 L 7.44 3.70 0.00 1.51 1.00 0.52 -0.48 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 0.00 101 L 7.82 3.93 0.00 1.65 1.57 0.85 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.31 4.21 0.00 3.97 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 H 8.35 4.31 0.00 3.30 3.59 0.00 5.78 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 C 8.28 4.11 0.00 3.15 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 0.00 105 L 8.53 4.03 0.00 1.88 1.85 1.13 0.70 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 0.00 106 L 7.99 4.09 0.00 1.96 1.91 1.18 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 107 V 7.72 3.32 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 0.81 0.00 0.00 0.84 0.00 0.00 108 T 8.00 3.77 4.29 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 0.00 0.00 0.00 1.22 0.00 0.00 109 L 8.00 3.83 0.00 1.87 1.70 1.03 1.04 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 0.00 110 A 7.46 3.17 0.18 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 0.00 111 A 8.09 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 H 7.36 4.53 0.00 2.60 3.08 0.00 5.60 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 0.00 113 L 8.10 4.80 0.00 1.73 1.59 0.93 1.14 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 0.00 114 P 0.00 4.19 0.00 2.22 2.34 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 115 A 7.96 4.15 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 0.00 116 E 8.09 4.25 0.00 1.98 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 2.32 2.32 0.00 117 F 7.82 4.47 0.00 3.04 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 0.00 118 T 7.23 4.36 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 1.26 0.00 0.00 119 P 0.00 4.29 0.00 2.13 2.13 0.00 3.57 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 120 A 7.84 3.96 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 0.00 121 V 7.54 3.55 2.25 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 1.07 0.00 0.00 0.95 0.00 0.00 122 H 9.15 3.56 0.00 2.27 3.16 0.00 5.67 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 A 7.93 3.91 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 0.00 124 S 7.94 4.25 0.00 3.91 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 0.00 125 L 8.17 4.07 0.00 2.09 1.89 1.06 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 126 D 8.44 4.40 0.00 2.94 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 0.00 127 K 8.09 4.02 0.00 2.02 1.96 0.00 1.69 0.00 0.00 1.82 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.45 7.81 128 F 8.36 4.26 0.00 3.14 3.23 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 0.00 129 L 8.43 3.54 0.00 1.72 1.69 1.07 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.05 3.94 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 0.00 131 S 7.75 3.94 0.00 3.94 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 0.00 132 V 7.62 3.31 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 0.88 0.00 0.00 0.10 0.00 0.00 133 S 8.18 3.72 0.00 3.92 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 0.00 134 T 7.54 3.67 4.29 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 0.00 0.00 0.00 1.09 0.00 0.00 135 V 7.45 3.86 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 1.38 0.00 0.00 0.83 0.00 0.00 136 L 7.76 3.94 0.00 1.02 1.26 0.79 0.86 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 0.00 137 T 6.63 4.30 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 0.65 0.00 0.00 138 S 7.37 4.28 0.00 4.09 3.69 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 0.00 139 K 8.02 5.00 0.00 1.72 1.73 0.00 1.82 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.38 1.43 7.81 140 Y 8.30 4.70 0.00 3.07 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 0.00 141 R 7.67 3.72 0.00 1.59 1.63 0.00 2.21 0.00 0.00 2.57 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.66 0.00