NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 V 4.0237 8.0544 120.3928 63.0151 32.2988 175.5201 12 D 4.4595 8.2011 129.6309 51.6617 39.6603 174.8104 13 L 4.1919 8.1008 124.7534 56.4006 43.8814 178.4753 14 G 3.7765 8.2348 107.3326 48.6774 0.0000 175.5475 15 T 4.0135 7.8991 109.4893 63.9382 69.0598 174.8207 16 E 4.5886 8.5323 122.2362 56.4049 30.0178 177.0464 17 N 4.4408 8.3581 120.5351 57.4341 38.8158 176.8668 18 L 4.1233 8.0386 119.0431 57.4086 41.6344 178.7431 19 Y 3.9256 8.0444 120.0690 60.7747 38.7238 178.1036 20 F 4.0392 8.1485 118.1940 60.4629 39.0857 177.6803 21 Q 4.0147 8.4009 117.9239 58.8310 28.4433 178.6509 22 S 3.9906 8.3322 114.5933 61.5211 62.4219 176.0047 23 N 4.1553 8.0330 119.0390 56.0595 38.0888 177.3242 24 A 3.8970 7.9319 122.2731 55.2219 18.4948 179.3408 25 M 3.5133 7.9536 116.7116 58.7229 32.2460 178.3280 26 E 3.8258 8.1042 118.7846 59.1204 29.3908 179.2686 27 K 3.8986 7.8822 118.8660 59.3329 32.6473 178.5912 28 R 3.9805 7.9845 119.0522 59.8367 30.1134 178.1902 29 Y 4.1683 8.0499 117.1108 60.8774 37.4665 178.6055 30 S 4.4172 7.9210 114.1842 60.5359 63.1524 174.8881 31 Q 4.4919 7.5756 118.9178 55.8527 29.4471 175.6542 32 M 4.5282 7.5435 118.6127 54.8859 32.9587 176.9087 33 T 4.3176 8.9052 113.3748 60.6006 71.3344 174.2157 34 P 4.2155 0.0000 0.0000 65.9997 31.2671 178.4750 35 H 4.1452 8.1625 116.5572 59.3679 29.8417 177.0500 36 E 3.8925 8.2909 120.3691 59.2821 29.1389 179.3940 37 L 3.7918 8.0591 119.1921 57.7639 41.6756 179.2507 38 N 4.2720 8.3315 116.6532 56.5082 38.4281 177.6502 39 T 3.7942 7.9355 117.2330 66.4647 68.4427 176.2738 40 E 3.8926 8.1966 121.2621 59.4620 29.5592 179.0062 41 I 3.6340 7.9967 119.8675 64.1832 37.1229 178.3189 42 A 3.9598 8.0940 121.6970 55.0829 18.2319 179.7250 43 L 3.9439 8.0298 117.5026 57.9609 41.6571 179.7451 44 L 4.0230 8.1985 119.1947 57.9493 41.4895 179.8182 45 S 4.1126 8.3836 115.4487 61.4530 62.8561 176.3605 46 E 3.9320 8.3375 122.1327 59.2198 29.4128 179.0660 47 K 4.0249 8.1226 118.3703 59.2842 32.0525 179.2653 48 A 4.0214 8.1937 121.4128 54.9683 18.2549 179.5943 49 R 3.8595 8.2045 117.4055 59.5889 29.6158 178.9836 50 K 4.0200 8.0367 117.6687 59.3647 31.9549 179.2436 51 A 4.0511 8.1549 121.1422 55.1246 18.4232 179.3223 52 E 3.8810 8.6990 118.3149 59.5176 29.5294 178.9863 53 Q 4.1357 8.2488 116.7604 57.9674 28.8023 177.1327 54 H 4.7997 7.5352 114.3895 54.2327 29.4283 174.3695 55 G 3.9709 7.6790 108.1320 47.0446 0.0000 176.0333 56 I 4.1818 7.7231 122.5178 59.1776 34.7954 175.6678 57 I 3.7098 7.7699 125.1267 64.1637 37.4500 177.0282 58 N 4.2845 8.1750 117.2625 56.2080 36.9352 176.5693 59 E 3.9191 8.1598 121.3847 58.6594 29.6587 178.1889 60 L 3.9152 8.1505 120.2040 58.2289 42.0894 178.9249 61 A 3.9697 8.1419 120.7264 55.0128 18.4218 179.7581 62 V 3.5395 7.8528 116.7968 66.1897 31.5820 178.3209 63 L 4.0345 8.1238 118.7942 57.9408 41.4180 179.4302 64 E 3.9993 8.5532 118.8053 59.3377 29.4379 179.6162 65 R 3.9462 8.2475 118.3778 59.0541 29.9905 179.2105 66 K 4.1102 8.0669 118.1608 59.4026 31.9462 179.4644 67 I 3.7063 8.0124 120.2133 64.7559 36.8302 178.4850 68 T 3.8195 7.8509 115.4095 66.8370 68.6196 176.0468 69 M 4.1538 8.0263 119.5576 58.5968 32.4532 178.0885 70 A 3.7237 8.4763 121.3557 55.1461 18.5854 179.7587 71 K 3.8873 8.4493 117.0466 59.4867 31.5260 179.4288 72 A 3.8734 7.7590 120.5495 54.9625 17.9813 178.9048 73 Y 3.9527 7.6568 113.7403 60.1084 38.0671 177.4656 74 L 4.2613 7.4861 118.8826 55.7894 42.0877 177.1319 75 L 4.3207 6.9222 117.4647 53.9632 42.7199 175.4354 76 N 4.9054 8.4348 117.8877 51.2095 40.2744 173.1646 77 P 4.3623 0.0000 0.0000 65.7316 31.5477 177.9585 78 E 4.2460 8.4158 114.2054 58.0622 29.5458 177.0474 79 D 4.5808 8.3200 119.3610 54.6678 41.1071 175.5308 80 Y 4.7560 7.8740 117.3872 56.0577 40.6656 175.1990 81 S 4.8768 9.1575 119.7684 55.7892 65.4921 172.2284 82 P 4.6159 0.0000 0.0000 64.2406 31.5634 176.6721 83 G 4.0098 9.3796 111.9382 44.9420 0.0000 173.1902 84 E 4.4244 8.1181 120.7422 55.6329 31.5122 174.9277 85 T 5.2256 8.1003 120.4400 62.0478 71.1425 173.1107 86 Y 4.8113 9.2283 122.8902 55.9342 42.5088 174.6646 87 R 4.6478 8.9872 121.9674 56.0052 32.0865 175.3372 88 V 4.4206 8.5498 126.1560 61.4394 32.7591 174.9310 89 E 3.9516 9.0108 129.2329 58.2572 29.8081 176.0744 90 N 4.2593 9.0228 120.6329 54.1294 36.2432 173.3407 91 T 4.7261 7.6505 106.7368 60.6132 72.0128 173.2069 92 E 4.5742 8.6500 117.4693 56.3031 29.9620 175.9446 93 D 4.9135 7.9586 119.8036 53.5936 43.0649 175.1861 94 E 5.2321 8.6844 119.1492 54.6152 33.3392 174.7276 95 F 5.1116 9.5982 125.6017 56.7760 42.7497 173.4737 96 T 4.7528 7.6935 123.2540 62.0497 70.3257 174.1249 97 I 4.1146 8.4807 127.7983 61.5932 38.0911 176.7380 98 S 4.5617 9.4585 123.9091 60.5810 64.4483 173.5816 99 Y 5.0591 7.3464 114.9234 56.4875 40.9217 172.6609 100 L 5.3468 8.7549 119.2702 53.3309 44.7883 176.3241 101 N 4.9330 9.3921 120.5097 53.4667 42.8116 173.9042 102 G 3.8015 8.5446 115.3428 47.5738 0.0000 174.1541 103 V 3.8976 8.1949 117.9360 60.7091 31.7474 174.6577 104 F 4.9774 8.1132 118.9212 55.5281 42.2687 174.2290 105 A 5.0671 8.8179 123.4047 50.1099 21.2699 175.5919 106 W 4.6441 8.9160 123.7893 55.4480 30.9115 175.8816 107 G 4.1383 9.0178 111.4560 46.4651 0.0000 171.5131 108 Y 5.1963 6.4248 119.4872 55.5658 42.0851 175.1370 109 R 4.8572 8.7764 119.9338 55.9180 31.2371 178.0370 110 T 4.0892 8.8296 113.4726 64.3613 68.9081 175.5496 111 S 4.4623 8.0858 115.1011 59.4574 64.4505 174.4444 112 S 4.7228 8.1441 116.5092 56.6797 62.6793 173.1875 113 P 4.3599 0.0000 0.0000 65.1846 31.6855 177.6444 114 Q 4.1345 7.8950 115.9204 56.5109 29.1321 175.2303 115 Q 4.5801 7.8346 118.4535 54.1453 30.2799 174.9522 116 E 4.7013 8.8710 125.8031 56.3071 30.8310 175.1807 117 E 4.9007 9.7311 122.7035 55.7169 33.7655 173.1970 118 A 4.5526 7.8725 121.0441 49.7446 21.2116 175.7394 119 L 4.7812 8.2476 121.3120 51.7022 46.0603 174.7701 120 P 3.9467 0.0000 0.0000 62.1182 32.2229 177.5824 121 I 3.1605 7.8263 114.9858 63.2316 37.3687 178.1198 122 S 4.1207 7.5815 114.5826 60.2473 63.1849 174.9720 123 V 4.1772 7.5232 113.9316 61.1357 31.8036 174.7441 124 L 4.9189 7.3654 121.0655 53.6713 42.3720 176.0129 125 Q 4.8553 9.1049 123.8831 53.7638 31.4366 175.3256 126 E 4.4164 8.9480 122.9273 56.0628 30.1949 177.2751 127 K 3.9956 8.6071 122.6833 56.8519 32.8875 176.6448 128 E 4.2255 8.5532 120.7948 56.3745 29.7148 175.6714 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 11 V 8.05 4.02 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 0.96 0.00 0.00 0.93 0.00 0.00 12 D 8.20 4.46 0.00 2.88 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.10 4.19 0.00 1.79 1.67 0.98 1.07 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 14 G 8.23 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 15 T 7.90 4.01 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 1.30 0.00 0.00 16 E 8.53 4.59 0.00 2.37 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 2.27 2.34 0.00 17 N 8.36 4.44 0.00 3.06 2.93 0.00 0.00 7.24 6.71 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 18 L 8.04 4.12 0.00 1.77 1.73 0.94 0.79 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 19 Y 8.04 3.93 0.00 2.89 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 20 F 8.15 4.04 0.00 3.40 3.11 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 0.00 21 Q 8.40 4.01 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.75 0.00 22 S 8.33 3.99 0.00 3.85 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 23 N 8.03 4.16 0.00 2.48 2.66 0.00 0.00 6.96 6.87 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 24 A 7.93 3.90 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.95 3.51 0.00 1.97 1.80 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.46 0.00 26 E 8.10 3.83 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 27 K 7.88 3.90 0.00 1.81 1.96 0.00 1.80 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.58 1.44 7.81 28 R 7.98 3.98 0.00 1.91 1.86 0.00 3.12 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 29 Y 8.05 4.17 0.00 1.77 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 S 7.92 4.42 0.00 4.17 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 31 Q 7.58 4.49 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.92 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 32 M 7.54 4.53 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.47 0.00 33 T 8.91 4.32 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 1.22 0.00 0.00 34 P 0.00 4.22 0.00 2.19 2.15 0.00 3.61 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 2.12 2.16 0.00 35 H 8.16 4.15 0.00 3.23 3.31 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.29 3.89 0.00 2.26 1.95 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 2.32 2.36 0.00 37 L 8.06 3.79 0.00 1.77 1.57 0.93 0.12 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 38 N 8.33 4.27 0.00 2.82 2.82 0.00 0.00 7.05 7.63 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 39 T 7.94 3.79 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 1.16 0.00 0.00 40 E 8.20 3.89 0.00 1.99 1.95 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 2.03 2.31 0.00 41 I 8.00 3.63 1.93 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.48 0.87 0.00 0.00 42 A 8.09 3.96 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 43 L 8.03 3.94 0.00 1.85 1.72 0.91 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.20 4.02 0.00 1.81 1.73 1.01 1.22 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 45 S 8.38 4.11 0.00 4.00 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 46 E 8.34 3.93 0.00 2.08 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 2.30 2.39 0.00 47 K 8.12 4.02 0.00 2.02 1.85 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.62 7.81 48 A 8.19 4.02 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 49 R 8.20 3.86 0.00 1.89 2.12 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.68 0.00 50 K 8.04 4.02 0.00 2.04 1.87 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.47 7.81 51 A 8.15 4.05 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 52 E 8.70 3.88 0.00 2.12 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 2.30 2.35 0.00 53 Q 8.25 4.14 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.65 0.00 0.00 0.00 0.00 0.00 2.37 2.61 0.00 54 H 7.54 4.80 0.00 3.15 3.31 0.00 5.80 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 G 7.68 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 56 I 7.72 4.18 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.91 0.97 0.00 0.00 57 I 7.77 3.71 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 1.85 0.85 0.91 0.00 0.00 58 N 8.17 4.28 0.00 2.91 3.09 0.00 0.00 5.85 7.66 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 59 E 8.16 3.92 0.00 2.10 1.99 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 2.38 2.44 0.00 60 L 8.15 3.92 0.00 1.88 1.86 0.98 1.00 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 61 A 8.14 3.97 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 V 7.85 3.54 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 1.03 0.00 0.00 0.99 0.00 0.00 63 L 8.12 4.03 0.00 1.88 1.71 0.95 0.84 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 64 E 8.55 4.00 0.00 1.96 1.99 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 2.54 2.49 0.00 65 R 8.25 3.95 0.00 2.01 1.99 0.00 3.13 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 66 K 8.07 4.11 0.00 2.06 1.97 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.71 7.81 67 I 8.01 3.71 2.01 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 1.51 0.84 0.89 0.00 0.00 68 T 7.85 3.82 4.38 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 1.13 0.00 0.00 69 M 8.03 4.15 0.00 2.51 2.16 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.06 2.83 0.00 70 A 8.48 3.72 1.03 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 0.00 0.00 71 K 8.45 3.89 0.00 1.90 1.82 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.56 7.81 72 A 7.76 3.87 0.98 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 0.00 0.00 73 Y 7.66 3.95 0.00 3.08 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 74 L 7.49 4.26 0.00 1.81 1.71 0.95 0.93 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 75 L 6.92 4.32 0.00 1.75 1.75 0.90 0.97 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 76 N 8.43 4.91 0.00 2.71 2.90 0.00 0.00 6.85 7.71 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 77 P 0.00 4.36 0.00 2.25 2.11 0.00 3.67 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.01 0.00 78 E 8.42 4.25 0.00 2.13 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 2.76 2.30 0.00 79 D 8.32 4.58 0.00 2.48 2.39 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 80 Y 7.87 4.76 0.00 3.06 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 9.16 4.88 0.00 3.95 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 82 P 0.00 4.62 0.00 2.13 2.33 0.00 3.75 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 2.22 0.00 83 G 9.38 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 84 E 8.12 4.42 0.00 2.09 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 1.52 2.02 0.00 85 T 8.10 5.23 4.16 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 1.24 0.00 0.00 86 Y 9.23 4.81 0.00 2.99 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 87 R 8.99 4.65 0.00 1.92 1.96 0.00 3.10 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 88 V 8.55 4.42 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 0.76 0.00 0.00 0.90 0.00 0.00 89 E 9.01 3.95 0.00 1.97 1.83 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 2.31 2.31 0.00 90 N 9.02 4.26 0.00 2.89 2.87 0.00 0.00 6.77 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 91 T 7.65 4.73 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 1.24 0.00 0.00 92 E 8.65 4.57 0.00 1.97 1.99 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 2.23 2.30 0.00 93 D 7.96 4.91 0.00 2.69 2.63 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 94 E 8.68 5.23 0.00 1.91 1.83 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 2.31 2.29 0.00 95 F 9.60 5.11 0.00 2.91 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 96 T 7.69 4.75 2.89 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 0.00 0.00 1.04 0.00 0.00 97 I 8.48 4.11 2.17 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 1.41 0.78 1.02 0.00 0.00 98 S 9.46 4.56 0.00 4.09 4.16 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 99 Y 7.35 5.06 0.00 3.14 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 0.00 100 L 8.75 5.35 0.00 1.66 1.69 1.12 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 101 N 9.39 4.93 0.00 3.14 3.06 0.00 0.00 7.15 7.52 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 0.00 102 G 8.54 3.80 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 0.00 0.00 0.00 103 V 8.19 3.90 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 -0.27 0.00 0.00 0.09 0.00 0.00 104 F 8.11 4.98 0.00 3.04 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 A 8.82 5.07 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 0.00 106 W 8.92 4.64 0.00 1.97 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 G 9.02 4.14 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 0.00 108 Y 6.42 5.20 0.00 3.00 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 0.00 109 R 8.78 4.86 0.00 1.93 1.99 0.00 3.22 0.00 0.00 3.65 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.04 0.00 110 T 8.83 4.09 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 1.29 0.00 0.00 111 S 8.09 4.46 0.00 4.04 4.06 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 0.00 112 S 8.14 4.72 0.00 4.02 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 0.00 113 P 0.00 4.36 0.00 1.98 2.25 0.00 3.78 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 114 Q 7.90 4.13 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.92 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 115 Q 7.83 4.58 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.91 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 116 E 8.87 4.70 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 2.53 2.77 0.00 117 E 9.73 4.90 0.00 1.97 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 2.55 2.57 0.00 118 A 7.87 4.55 -0.75 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 0.00 119 L 8.25 4.78 0.00 0.83 1.07 -0.04 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 3.95 0.00 1.85 1.69 0.00 3.54 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.83 0.00 121 I 7.83 3.16 0.56 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.13 0.30 0.00 0.00 122 S 7.58 4.12 0.00 3.89 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 0.00 123 V 7.52 4.18 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 0.56 0.00 0.00 0.75 0.00 0.00 124 L 7.37 4.92 0.00 1.36 1.26 0.42 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 125 Q 9.10 4.86 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.98 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 126 E 8.95 4.42 0.00 1.89 1.87 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 2.29 2.50 0.00 127 K 8.61 4.00 0.00 1.67 1.72 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.30 7.81 128 E 8.55 4.23 0.00 1.89 1.78 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 2.18 2.25 0.00