NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.1745 8.2644 123.5746 51.9966 19.6946 176.4384 3 S 4.3059 8.3407 118.1341 56.3697 63.4579 172.3009 4 L 3.8499 8.8600 132.9593 58.2648 42.4599 177.7831 5 A 3.9812 8.0818 120.2194 55.5055 18.0810 179.2868 6 R 3.8433 7.7587 116.6621 59.6524 30.0468 178.5251 7 A 4.1860 7.8779 120.0356 55.2250 18.3949 179.6511 8 V 3.5216 8.1354 117.1160 66.0460 31.5447 177.8684 9 E 3.9282 8.2542 118.9285 59.4995 29.3313 178.9238 10 R 4.0593 8.1093 116.9760 59.1939 30.4036 178.6608 11 L 4.0902 8.2574 120.1858 58.0414 42.2317 178.5303 12 K 3.8005 8.5247 119.8509 59.8161 32.0767 178.2933 13 A 4.0193 8.6070 120.8488 55.1629 18.1074 179.1771 14 A 4.2550 7.8841 117.3862 54.0880 18.6565 178.8460 15 L 4.3350 7.5371 116.1256 56.1595 42.2089 178.4805 16 E 4.1491 7.6611 117.1193 58.3692 29.6853 177.8972 17 R 4.1996 7.2775 115.9071 55.1290 30.9109 174.5311 18 P 4.4048 0.0000 0.0000 61.9598 31.9515 176.7004 19 K 3.9354 8.4848 123.5727 57.1366 32.7553 175.9643 20 D 4.5740 8.5315 122.0741 52.0024 44.7561 176.0549 21 E 3.6476 8.6271 124.9498 59.7422 29.3425 179.6487 22 F 4.3673 8.1496 117.7020 60.0459 39.4050 178.1123 23 I 3.8803 7.7714 118.9986 64.2510 36.8997 178.1563 24 R 3.9691 8.3459 120.1363 59.6569 30.1176 178.2543 25 D 4.4766 7.9017 117.8040 57.1396 40.8179 178.7588 26 S 4.4852 8.1367 113.4492 60.1512 63.6208 176.4271 27 A 4.0470 7.9798 124.7744 55.0392 18.1173 179.4763 28 I 3.6601 7.9757 118.3340 64.7655 36.7507 178.2363 29 Q 4.0781 8.0469 119.8690 59.6443 28.8175 178.8736 30 R 3.1990 8.2660 118.7119 58.4606 30.0408 178.7799 31 F 4.1776 8.0065 120.7124 60.9913 39.2392 176.3951 32 E 3.7779 8.2537 119.3088 59.6672 29.2093 178.9968 33 F 4.4520 7.5800 112.1452 59.5860 38.3943 177.4854 34 T 3.9770 7.1334 117.0106 66.5803 68.3278 176.3638 35 F 4.1010 8.0230 122.5511 61.3451 38.9470 176.7284 36 E 4.2333 8.2265 119.0811 58.8603 29.5642 177.9612 37 L 3.8594 7.9309 119.0715 56.1377 42.2156 178.4749 38 A 3.9530 7.4406 120.8294 55.1264 18.5943 179.4182 39 W 3.9963 7.8139 115.1975 59.3295 27.9328 178.4348 40 K 2.7644 6.9042 120.0204 58.2193 31.3232 178.4525 41 T 4.0492 6.9842 108.9604 63.9274 69.4212 176.7525 42 L 3.8902 8.0449 122.2038 57.6051 41.4498 179.3052 43 K 3.9220 8.2840 119.9716 59.4347 31.9452 178.6115 44 T 3.7960 7.2018 114.4385 66.9616 68.7247 175.6861 45 F 4.2432 8.4159 122.2043 61.5133 39.4634 177.1834 46 L 3.8278 7.7883 118.0805 57.3602 41.2301 178.4213 47 E 4.4451 8.0140 117.0274 56.6679 29.3839 177.9096 48 L 4.3048 7.2480 119.7368 55.6142 42.2677 177.1646 49 Q 4.1820 7.4753 115.8383 55.2931 28.7886 176.2021 50 G 3.7825 7.9861 105.2859 46.0690 0.0000 173.8988 51 L 4.4700 7.3914 119.9629 53.3352 43.2184 175.1954 52 E 4.7488 8.1642 117.6791 55.0853 32.7418 176.8011 53 A 4.4537 8.1320 123.6822 52.2359 19.7111 176.2785 54 R 4.5034 8.4238 118.6121 57.2750 31.0326 177.3469 55 S 4.2355 7.5217 112.6057 54.8766 67.3459 172.6946 56 P 3.6006 0.0000 0.0000 65.8429 30.9021 178.9829 57 R 3.8703 7.7158 116.4424 59.1628 29.9465 178.2404 58 A 3.9299 7.7579 120.1228 54.8916 18.3606 179.3966 59 A 3.9627 8.3812 119.7237 55.4433 18.4926 179.8507 60 I 3.0263 7.5791 118.1412 64.3964 36.9841 178.5638 61 R 4.0598 7.9736 118.8719 59.3898 30.0804 178.6937 62 G 3.6585 8.6875 106.0669 47.8560 0.0000 175.7004 63 A 4.1183 8.3016 124.1996 54.5166 18.0117 179.7019 64 F 4.8742 7.7358 115.8753 60.6613 39.2060 177.7368 65 Q 4.1916 8.1791 118.0178 58.9351 28.5532 178.3929 66 V 3.8319 7.6883 116.0433 63.7789 31.6765 176.6827 67 G 4.0050 8.0706 105.5625 46.0805 0.0000 174.4523 68 L 4.0331 7.4869 120.2367 57.6273 42.1266 176.8396 69 L 4.9458 7.5538 116.7470 51.8980 44.2205 174.7090 70 P 4.4425 0.0000 0.0000 62.1945 32.0873 176.0718 71 E 2.0000 8.3955 119.7782 56.2698 29.1278 176.1356 72 D 4.8452 8.0416 124.0607 51.3047 43.5856 174.4660 73 P 4.4345 0.0000 0.0000 65.8303 31.6347 178.0804 74 F 4.0093 8.7402 120.9935 61.1948 38.8653 176.8769 75 W 4.3401 8.2169 117.1303 60.0178 28.7137 177.9898 76 L 4.3638 8.3263 118.5314 56.6784 41.2045 177.5767 77 E 4.6522 8.0187 120.7492 56.1953 29.0550 177.8320 *79 L 3.8272 7.9439 117.5108 54.6603 42.4411 177.7321 80 E 3.8521 7.3843 119.1841 58.5878 29.8960 177.6200 81 L 4.1501 7.5666 118.8727 57.1182 41.4365 178.9698 82 R 4.0406 7.8774 118.2620 59.4771 29.6594 178.0592 83 N 4.2137 7.4810 115.1654 55.7046 38.5841 176.8700 84 L 4.2493 8.2085 120.6922 57.2170 41.6551 179.6293 85 T 3.9263 7.3765 110.4772 64.6129 68.5966 174.9267 86 N 4.7349 7.9288 116.2079 53.4395 37.6909 174.6718 87 H 4.2456 9.1851 118.4232 55.9102 29.0974 175.2352 88 T 4.2260 7.4663 108.5985 62.2650 68.2225 176.0207 89 Y 4.0935 6.6934 121.9622 59.5681 38.2955 175.5515 90 D 4.7272 7.1507 121.4394 52.8309 40.5920 176.0787 91 E 3.9577 8.9019 127.7057 59.4484 29.3356 179.2183 92 A 3.9502 8.1097 120.2832 54.9678 18.4971 179.2503 93 L 3.8000 8.0410 118.5893 58.2031 42.2107 178.7779 94 A 3.9659 7.9890 120.2200 55.5617 18.3694 179.3778 95 E 3.9326 8.1749 116.8521 59.3590 29.2580 179.4478 96 R 3.9069 7.6824 118.1790 59.3404 30.2764 178.5284 97 I 3.7591 7.7539 119.5269 64.5803 37.4038 177.4563 98 Y 3.7457 8.0839 120.0643 60.9010 38.2490 178.0150 99 A 4.1857 7.9495 119.4380 53.9699 18.6703 178.1993 100 E 4.3608 8.5911 117.0028 57.1027 30.8525 177.9371 101 L 3.6181 6.9712 118.5896 57.5775 41.5225 177.7115 102 P 4.1382 0.0000 0.0000 65.4622 30.9629 178.5488 103 K 3.6617 7.6630 117.6222 59.3123 32.0062 178.6370 104 A 3.6773 7.9756 121.2100 54.8077 18.1594 179.3849 105 L 4.0049 8.2662 119.4732 58.2043 42.0279 178.5298 106 E 3.8443 7.7663 119.4707 59.4591 29.3857 178.8301 107 R 4.0970 7.2917 116.6475 58.0694 30.2731 178.7933 108 F 4.7920 7.6768 118.2604 60.6289 38.4749 177.7497 109 Q 4.1734 8.5477 117.8332 58.4322 28.4544 178.3958 110 E 3.9933 7.9579 120.9519 59.1058 29.7263 178.3011 111 L 4.0500 8.4042 120.5823 58.5250 41.9965 178.8014 112 L 3.9663 7.8807 117.1665 57.9758 41.7069 179.6194 113 R 4.1500 7.6618 116.6862 59.1563 30.0167 179.0332 114 R 3.9203 7.8652 116.6210 59.1618 30.1678 178.6134 115 L 3.9285 7.9177 116.6299 56.1553 41.5938 177.0954 116 E 4.2701 8.0346 124.1403 56.3544 29.7461 175.6416 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 2 A 8.26 4.17 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 3 S 8.34 4.31 0.00 3.96 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 4 L 8.86 3.85 0.00 1.73 1.61 0.81 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 5 A 8.08 3.98 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 6 R 7.76 3.84 0.00 1.90 2.15 0.00 3.27 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 7 A 7.88 4.19 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.14 3.52 2.28 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 1.02 0.00 0.00 0.98 0.00 0.00 9 E 8.25 3.93 0.00 2.12 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 2.34 2.38 0.00 10 R 8.11 4.06 0.00 2.12 2.21 0.00 3.27 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 1.80 1.74 0.00 11 L 8.26 4.09 0.00 1.73 1.86 0.96 0.83 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 12 K 8.52 3.80 0.00 1.94 2.03 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.50 7.81 13 A 8.61 4.02 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 14 A 7.88 4.26 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 15 L 7.54 4.34 0.00 1.76 1.66 0.82 0.64 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 16 E 7.66 4.15 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.51 0.00 17 R 7.28 4.20 0.00 1.86 1.91 0.00 3.25 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 18 P 0.00 4.40 0.00 2.06 2.00 0.00 3.73 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 2.05 2.09 0.00 19 K 8.48 3.94 0.00 1.70 1.67 0.00 1.61 0.00 0.00 1.49 0.00 0.00 2.63 0.00 0.00 2.36 0.00 0.00 0.00 0.00 1.16 0.84 7.81 20 D 8.53 4.57 0.00 2.82 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 21 E 8.63 3.65 0.00 1.94 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 1.47 1.47 0.00 22 F 8.15 4.37 0.00 3.28 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 23 I 7.77 3.88 2.12 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.51 1.07 0.00 0.00 24 R 8.35 3.97 0.00 1.46 1.91 0.00 2.95 0.00 0.00 3.00 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.93 0.00 25 D 7.90 4.48 0.00 2.81 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 26 S 8.14 4.49 0.00 4.16 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 27 A 7.98 4.05 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.98 3.66 2.12 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 1.42 0.72 0.98 0.00 0.00 29 Q 8.05 4.08 0.00 2.44 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 2.47 2.68 0.00 30 R 8.27 3.20 0.00 1.96 1.68 0.00 3.26 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.05 0.00 31 F 8.01 4.18 0.00 3.07 3.30 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 32 E 8.25 3.78 0.00 2.18 2.26 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 2.42 2.40 0.00 33 F 7.58 4.45 0.00 3.19 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 34 T 7.13 3.98 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 0.54 0.00 0.00 35 F 8.02 4.10 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 36 E 8.23 4.23 0.00 2.25 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 0.00 2.41 2.43 0.00 37 L 7.93 3.86 0.00 1.99 1.62 0.88 1.02 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 38 A 7.44 3.95 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 39 W 7.81 4.00 0.00 3.45 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 40 K 6.90 2.76 0.00 1.52 1.47 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.10 1.07 7.81 41 T 6.98 4.05 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 1.20 0.00 0.00 42 L 8.04 3.89 0.00 1.88 1.74 0.51 0.29 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 43 K 8.28 3.92 0.00 1.65 1.64 0.00 1.14 0.00 0.00 1.40 0.00 0.00 2.87 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.34 1.62 7.81 44 T 7.20 3.80 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 1.18 0.00 0.00 45 F 8.42 4.24 0.00 3.09 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 46 L 7.79 3.83 0.00 2.07 1.67 1.08 1.37 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 47 E 8.01 4.45 0.00 1.86 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 0.00 2.31 2.35 0.00 48 L 7.25 4.30 0.00 1.46 1.54 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 7.48 4.18 0.00 1.87 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.26 0.00 0.00 0.00 0.00 0.00 2.21 2.20 0.00 50 G 7.99 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 0.00 0.00 0.00 51 L 7.39 4.47 0.00 1.87 1.58 0.91 0.82 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 52 E 8.16 4.75 0.00 1.90 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 53 A 8.13 4.45 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 R 8.42 4.50 0.00 1.83 2.03 0.00 3.46 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 55 S 7.52 4.24 0.00 3.75 3.79 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 56 P 0.00 3.60 0.00 1.84 1.71 0.00 3.01 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.44 0.00 57 R 7.72 3.87 0.00 1.82 1.86 0.00 3.16 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 58 A 7.76 3.93 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 59 A 8.38 3.96 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 60 I 7.58 3.03 1.81 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.51 0.31 0.00 0.00 61 R 7.97 4.06 0.00 1.92 1.98 0.00 3.30 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 62 G 8.69 3.66 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 0.00 0.00 0.00 63 A 8.30 4.12 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 64 F 7.74 4.87 0.00 3.22 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 65 Q 8.18 4.19 0.00 2.34 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.87 0.00 0.00 0.00 0.00 0.00 2.44 2.61 0.00 66 V 7.69 3.83 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 0.90 0.00 0.00 1.02 0.00 0.00 67 G 8.07 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 68 L 7.49 4.03 0.00 1.67 1.84 0.64 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.55 4.95 0.00 1.80 1.80 0.26 1.10 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 70 P 0.00 4.44 0.00 2.22 2.10 0.00 3.98 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.08 0.00 71 E 8.40 2.00 0.00 1.69 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 2.02 0.00 72 D 8.04 4.85 0.00 2.83 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 73 P 0.00 4.43 0.00 2.33 2.36 0.00 3.83 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.01 0.00 74 F 8.74 4.01 0.00 3.15 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 75 W 8.22 4.34 0.00 3.71 3.29 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 0.00 76 L 8.33 4.36 0.00 1.98 1.76 1.07 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 77 E 8.02 4.65 0.00 1.79 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 2.12 2.14 0.00 *79 L 7.94 3.83 0.00 1.94 2.12 0.90 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 80 E 7.38 3.85 0.00 2.03 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 0.00 2.25 2.30 0.00 81 L 7.57 4.15 0.00 1.58 1.57 0.70 1.10 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 82 R 7.88 4.04 0.00 1.36 1.72 0.00 3.30 0.00 0.00 3.29 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.53 0.00 83 N 7.48 4.21 0.00 2.68 2.86 0.00 0.00 7.05 7.73 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 84 L 8.21 4.25 0.00 1.89 1.66 0.97 0.30 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 85 T 7.38 3.93 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 1.42 0.00 0.00 86 N 7.93 4.73 0.00 2.80 2.95 0.00 0.00 5.84 7.90 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 87 H 9.19 4.25 0.00 3.11 2.87 0.00 5.61 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 88 T 7.47 4.23 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 89 Y 6.69 4.09 0.00 3.00 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 90 D 7.15 4.73 0.00 3.07 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 91 E 8.90 3.96 0.00 2.04 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 2.38 2.39 0.00 92 A 8.11 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 93 L 8.04 3.80 0.00 1.86 1.81 0.87 1.09 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 94 A 7.99 3.97 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 95 E 8.17 3.93 0.00 2.15 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 2.40 2.40 0.00 96 R 7.68 3.91 0.00 1.98 2.07 0.00 3.22 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 97 I 7.75 3.76 1.95 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.89 0.67 0.00 0.00 98 Y 8.08 3.75 0.00 2.97 2.90 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 99 A 7.95 4.19 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 0.00 100 E 8.59 4.36 0.00 1.85 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 0.00 2.47 2.41 0.00 101 L 6.97 3.62 0.00 1.49 1.51 0.70 0.13 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 0.00 102 P 0.00 4.14 0.00 2.01 1.98 0.00 3.39 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.89 0.00 103 K 7.66 3.66 0.00 1.51 1.56 0.00 0.61 0.00 0.00 1.00 0.00 0.00 2.71 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.40 0.99 7.81 104 A 7.98 3.68 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 0.00 105 L 8.27 4.00 0.00 1.81 1.82 1.03 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 106 E 7.77 3.84 0.00 1.88 1.91 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 2.26 2.29 0.00 107 R 7.29 4.10 0.00 1.10 1.46 0.00 2.77 0.00 0.00 3.09 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.49 0.00 108 F 7.68 4.79 0.00 3.25 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 0.00 109 Q 8.55 4.17 0.00 2.27 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.83 0.00 0.00 0.00 0.00 0.00 2.46 2.68 0.00 110 E 7.96 3.99 0.00 2.31 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 0.00 2.44 2.48 0.00 111 L 8.40 4.05 0.00 2.21 2.12 0.84 1.01 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 0.00 112 L 7.88 3.97 0.00 1.98 1.77 0.95 0.75 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 0.00 113 R 7.66 4.15 0.00 2.03 1.98 0.00 3.15 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.07 0.00 114 R 7.87 3.92 0.00 1.94 1.94 0.00 3.44 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.88 0.00 115 L 7.92 3.93 0.00 1.65 1.66 0.62 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.03 4.27 0.00 2.14 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 2.24 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.