NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.3337 8.3027 121.7400 56.1403 31.3845 173.9015 2 Q 4.6453 8.7897 128.9341 54.9631 29.7399 173.4135 3 L 5.0227 8.8869 127.1641 52.7968 44.4346 176.0353 4 T 4.1481 8.3394 111.1925 60.7843 70.7942 175.4844 5 K 3.4477 8.5678 122.6688 60.2784 31.9444 179.1823 6 C 4.4264 8.0445 115.4781 59.4376 39.5415 175.9285 7 E 3.8923 7.9458 120.2410 59.3237 29.0913 179.0221 8 V 3.5360 7.7025 118.2096 66.1401 31.3124 177.3059 9 F 3.7885 7.8634 118.7478 61.7184 38.9700 177.0064 10 R 4.1658 8.5519 117.3483 59.8247 29.8668 179.0701 11 E 4.0900 8.5008 116.4430 58.4481 29.6051 178.3000 12 L 4.3417 8.1513 118.4651 54.1744 41.7775 177.8680 13 K 3.6048 7.4518 122.6162 59.7958 32.0610 177.8835 14 D 4.5848 7.7799 115.2198 55.4010 41.2866 177.0098 15 L 3.9819 7.9479 119.8478 55.7389 41.9786 176.2477 16 K 3.7902 7.5055 120.1321 57.8539 31.9171 176.5337 17 G 3.9288 8.8431 114.1328 45.8566 0.0000 172.3904 18 Y 3.8849 8.6678 122.9200 58.2410 39.1487 176.0083 19 G 3.6014 8.6662 114.6230 46.2700 0.0000 173.6434 20 G 3.8526 8.1725 104.5954 45.8494 0.0000 173.8162 21 V 4.1338 7.5514 119.8859 60.7125 33.0449 175.9968 22 S 4.7452 8.6633 122.5884 57.7736 65.2668 175.4770 23 L 4.1594 8.3441 122.0299 57.5142 41.3348 177.8881 24 P 4.4175 0.0000 0.0000 65.5348 31.2170 178.1466 25 E 3.8060 7.8292 116.1124 59.5748 29.3540 179.7340 26 W 4.2704 7.8709 118.0691 59.4568 28.9668 178.7785 27 V 3.7589 8.7737 119.0438 66.2657 31.0480 177.1954 28 C 2.4500 7.8429 118.1491 59.2809 44.4087 175.7520 29 T 3.7619 7.8634 117.7651 66.8513 68.0743 176.9673 30 T 3.9228 8.2612 111.9829 64.4578 68.9297 176.1749 31 F 3.2217 8.2451 123.7372 61.5429 39.0439 177.0215 32 H 4.1515 7.7978 113.8667 58.6167 28.5350 177.8729 33 T 4.1405 7.8016 117.3917 66.1194 69.0014 176.2976 34 S 4.6751 8.5489 114.1447 56.8934 64.2976 175.0856 35 G 3.2395 7.5982 109.6994 46.5075 0.0000 173.7571 36 Y 3.7497 7.8357 114.0280 58.0917 35.3697 168.3295 37 D 5.1149 7.5183 120.5359 52.8719 41.1786 176.9729 38 T 4.0449 8.9656 119.3239 63.9864 69.3662 175.3126 39 Q 4.7477 8.5424 119.4246 55.3201 29.9011 175.8495 40 A 4.1420 8.0794 122.9352 52.5103 19.6145 176.9841 41 I 4.9462 8.2215 121.5953 59.4349 40.6202 174.8755 42 V 4.3754 8.4692 126.9042 61.0926 33.9582 174.1196 43 Q 5.1520 8.6108 125.9448 54.2819 31.2933 175.0742 44 N 4.8373 9.2187 120.6927 51.4815 41.7883 175.3006 45 N 3.9823 8.9921 122.0788 54.8325 37.3566 174.8745 46 D 4.8079 7.9614 116.8410 53.6410 41.1242 175.9653 47 S 4.9883 8.9702 115.0996 57.1774 67.1314 172.9016 48 T 5.0894 9.3362 114.6462 60.5075 71.1882 172.1819 49 E 5.4395 9.1394 126.9378 54.8333 33.1305 174.3947 50 Y 4.7316 9.4459 121.6550 57.3549 40.8977 176.9156 51 G 4.5280 9.7382 114.3837 45.4370 0.0000 173.6144 52 L 3.9543 8.6643 119.3463 57.3798 42.0817 179.0415 53 F 4.8356 8.1671 113.6574 57.0396 40.0024 175.1310 54 Q 3.7575 7.9989 119.1619 57.1092 26.5640 174.2421 55 I 4.2087 7.8953 118.8361 61.3631 38.9486 177.3594 56 N 5.4615 9.3607 124.6017 52.0353 39.4663 174.7673 57 N 5.4245 8.5502 116.9701 52.8128 37.5391 176.2898 58 K 4.6293 9.3659 121.3917 58.7024 32.7007 178.8136 59 I 3.8455 7.8199 110.2777 60.7751 39.7861 177.6073 60 W 4.5130 8.3075 122.6870 58.8754 29.6252 174.5786 61 C 5.8036 8.2079 111.2346 53.3238 40.9510 172.5461 62 K 4.8427 8.9640 119.5433 56.0045 34.1036 175.5657 63 D 4.5774 8.0376 120.5891 52.8913 42.3031 174.9787 64 D 4.3870 8.8245 116.9831 57.2826 41.3894 177.6544 65 Q 4.1266 8.3612 119.2990 58.8355 29.0530 176.8803 66 N 4.9630 8.1316 118.4732 50.8070 38.5556 172.6137 67 P 4.4140 0.0000 0.0000 64.3842 32.1293 177.6172 68 H 4.8167 7.8828 114.5965 55.1794 29.2786 174.6921 69 S 4.1414 7.5663 113.2601 58.5733 62.5557 174.8286 70 S 4.0572 8.0146 121.1376 59.2448 63.6579 173.4465 71 N 4.1106 8.0099 119.7572 54.3545 37.4236 174.8370 72 I 3.6772 8.4454 121.2030 64.9926 37.7389 177.4782 73 C 4.5563 9.0505 115.1270 57.0165 40.6554 172.9371 74 N 4.1199 8.0130 116.8650 53.3667 36.3139 173.5309 75 I 4.3568 8.2607 116.3075 59.4986 41.9466 173.2616 76 S 4.5081 8.2447 120.2408 57.9739 63.0343 175.5845 77 C 3.6405 8.8947 125.6777 60.1695 37.5335 176.0316 78 D 4.2975 7.8139 119.7292 57.7173 40.1952 179.2243 79 K 4.0904 7.3266 116.5066 58.3151 32.3095 177.6670 80 F 5.3620 7.6581 117.4649 56.7978 38.8712 176.7479 81 L 5.2992 8.1285 119.6978 53.9052 42.6010 176.3602 82 D 4.7837 7.7851 118.1086 52.3652 41.2793 175.5128 83 D 4.4421 8.5373 117.2227 55.7606 41.1903 175.9224 84 D 4.7022 8.0346 119.4890 53.0686 41.5572 176.4300 85 L 4.7451 8.2742 127.5466 54.6946 42.0471 178.4165 86 T 3.8424 8.3617 117.7982 67.0985 68.5078 175.7298 87 D 4.4585 8.1106 119.9790 56.2567 39.5219 177.9017 88 D 3.9204 8.3205 119.9339 57.3602 40.9249 178.6548 89 I 3.1226 8.0366 120.3536 64.5030 36.6250 178.4055 90 M 3.8890 7.6737 119.1881 58.3194 31.7565 178.0705 91 C 4.1856 7.9973 118.5948 59.6859 44.9812 175.4454 92 V 3.2651 7.5408 120.1655 66.0511 30.6585 178.1792 93 K 3.6625 7.6790 117.7271 59.3244 31.8149 179.3936 94 K 3.9753 7.5390 118.1635 59.4781 31.9318 179.3911 95 I 2.9192 7.4194 119.8168 64.2315 36.8718 178.3095 96 L 4.1385 8.0844 119.7285 58.2801 41.2653 179.5339 97 D 4.4898 8.3303 117.8993 56.5292 40.7583 178.2123 98 K 4.4517 8.1030 117.8852 58.0001 33.0426 178.0310 99 V 4.2688 8.3328 108.7806 59.9888 32.6063 177.5609 100 G 4.0118 7.9493 110.7361 45.1882 0.0000 174.1196 101 I 4.0633 8.1880 116.5624 63.8013 37.9569 177.3388 102 N 4.7876 8.1849 115.2536 53.9655 38.8826 174.9272 103 Y 3.9339 8.0572 120.6025 60.2653 38.9326 176.7621 104 W 4.3095 8.4402 122.3890 55.6912 28.6646 177.1905 105 L 4.0706 8.4202 124.9558 57.4179 41.0562 179.2236 106 A 4.0591 8.0798 120.2530 54.7576 18.2766 178.9627 107 H 3.9442 8.0950 116.9280 59.3374 29.8046 177.3925 108 K 4.2096 8.1924 120.7920 58.7862 32.2507 178.2401 109 A 4.1369 7.5946 119.9372 54.8103 18.5271 178.2479 110 L 4.6927 8.3225 113.6594 54.7607 43.9503 176.7595 111 C 4.9914 8.2743 114.9965 56.8365 35.5632 174.4623 112 S 4.6220 8.0797 113.5035 57.9351 63.0276 173.2160 113 E 4.9114 7.5878 117.0411 55.3804 32.5159 174.1885 114 K 3.8821 8.4985 115.4124 57.8825 29.4962 177.3654 115 L 4.6060 7.7935 119.0765 57.3221 41.8360 178.3170 116 D 4.4589 8.2214 118.8138 56.9879 40.5019 178.1363 117 Q 3.8642 7.8871 116.5085 57.7019 28.6780 177.1467 118 W 4.7783 7.6471 119.5351 55.7548 29.8141 176.1762 119 L 4.2325 6.9124 119.3587 54.5742 41.3309 175.2529 120 C 4.1877 7.7192 122.9457 56.2105 44.3789 174.3818 121 E 3.9220 8.7483 120.1087 56.2955 28.6447 177.5607 122 K 4.0823 7.4641 121.9211 55.6861 32.6217 178.4146 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 E 8.30 4.33 0.00 2.19 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 2.29 2.34 0.00 2 Q 8.79 4.65 0.00 2.21 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.71 0.00 0.00 0.00 0.00 0.00 2.38 2.64 0.00 3 L 8.89 5.02 0.00 1.59 1.47 0.87 1.21 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 4 T 8.34 4.15 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 5 K 8.57 3.45 0.00 1.81 1.84 0.00 1.72 0.00 0.00 2.00 0.00 0.00 3.06 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.61 1.81 7.81 6 C 8.04 4.43 0.00 2.98 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.95 3.89 0.00 2.24 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 2.31 2.28 0.00 8 V 7.70 3.54 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 0.66 0.00 0.00 9 F 7.86 3.79 0.00 3.26 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 10 R 8.55 4.17 0.00 2.12 2.01 0.00 3.20 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.95 0.00 11 E 8.50 4.09 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 12 L 8.15 4.34 0.00 1.48 1.45 0.80 0.71 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 13 K 7.45 3.60 0.00 1.93 1.77 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.39 7.81 14 D 7.78 4.58 0.00 2.59 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 15 L 7.95 3.98 0.00 1.58 1.47 -0.18 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.51 3.79 0.00 1.77 1.78 0.00 1.90 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.40 7.81 17 G 8.84 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 8.67 3.88 0.00 3.10 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 19 G 8.67 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 8.17 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.55 4.13 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 0.21 0.00 0.00 0.80 0.00 0.00 22 S 8.66 4.75 0.00 4.17 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 23 L 8.34 4.16 0.00 1.66 1.46 0.96 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.42 0.00 2.31 2.35 0.00 3.69 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.50 0.00 25 E 7.83 3.81 0.00 2.15 1.69 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 2.45 2.33 0.00 26 W 7.87 4.27 0.00 3.50 3.08 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 27 V 8.77 3.76 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 1.28 0.00 0.00 28 C 7.84 2.45 0.00 1.23 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 29 T 7.86 3.76 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 30 T 8.26 3.92 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 1.16 0.00 0.00 31 F 8.25 3.22 0.00 2.59 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 32 H 7.80 4.15 0.00 3.16 3.35 0.00 5.90 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 T 7.80 4.14 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 1.57 0.00 0.00 34 S 8.55 4.68 0.00 4.07 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 7.60 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Y 7.84 3.75 0.00 3.27 3.08 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 37 D 7.52 5.11 0.00 2.80 2.62 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 38 T 8.97 4.04 4.50 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 0.00 0.00 1.21 0.00 0.00 39 Q 8.54 4.75 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.83 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 40 A 8.08 4.14 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.22 4.95 1.79 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.82 0.67 0.00 0.00 42 V 8.47 4.38 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 1.02 0.00 0.00 0.94 0.00 0.00 43 Q 8.61 5.15 0.00 1.92 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.53 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 44 N 9.22 4.84 0.00 2.65 2.66 0.00 0.00 6.52 6.60 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 45 N 8.99 3.98 0.00 2.82 2.99 0.00 0.00 6.19 8.06 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 46 D 7.96 4.81 0.00 2.78 2.82 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 47 S 8.97 4.99 0.00 3.88 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 9.34 5.09 4.15 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 0.00 0.00 1.27 0.00 0.00 49 E 9.14 5.44 0.00 2.11 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 2.31 2.27 0.00 50 Y 9.45 4.73 0.00 3.20 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 51 G 9.74 4.53 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 0.00 52 L 8.66 3.95 0.00 1.42 1.19 0.86 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.17 4.84 0.00 3.10 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 8.00 3.76 0.00 2.40 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.83 0.00 0.00 0.00 0.00 0.00 2.54 2.65 0.00 55 I 7.90 4.21 1.97 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.52 0.97 0.00 0.00 56 N 9.36 5.46 0.00 3.07 3.35 0.00 0.00 6.35 6.88 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 57 N 8.55 5.42 0.00 2.99 3.20 0.00 0.00 6.94 7.15 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 58 K 9.37 4.63 0.00 1.91 1.85 0.00 1.63 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.46 1.28 7.81 59 I 7.82 3.85 1.21 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 -0.36 0.68 0.00 0.00 60 W 8.31 4.51 0.00 3.68 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 C 8.21 5.80 0.00 3.11 3.35 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 62 K 8.96 4.84 0.00 1.74 1.91 0.00 1.23 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.27 7.81 63 D 8.04 4.58 0.00 2.68 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 64 D 8.82 4.39 0.00 2.71 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Q 8.36 4.13 0.00 2.07 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.21 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 66 N 8.13 4.96 0.00 2.82 2.79 0.00 0.00 7.08 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 67 P 0.00 4.41 0.00 2.05 2.10 0.00 3.17 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 68 H 7.88 4.82 0.00 3.11 3.34 0.00 5.94 0.00 0.00 0.00 0.00 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 S 7.57 4.14 0.00 4.09 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 70 S 8.01 4.06 0.00 3.76 3.89 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 0.00 71 N 8.01 4.11 0.00 2.95 2.78 0.00 0.00 7.02 7.26 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 72 I 8.45 3.68 1.68 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.48 1.07 0.00 0.00 73 C 9.05 4.56 0.00 3.36 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 N 8.01 4.12 0.00 2.84 2.85 0.00 0.00 6.65 7.00 0.00 0.00 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 I 8.26 4.36 1.96 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.71 0.77 0.00 0.00 76 S 8.24 4.51 0.00 3.76 3.53 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 77 C 8.89 3.64 0.00 1.97 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 D 7.81 4.30 0.00 2.54 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 79 K 7.33 4.09 0.00 1.33 1.90 0.00 1.63 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.29 1.46 7.81 80 F 7.66 5.36 0.00 3.31 3.18 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 81 L 8.13 5.30 0.00 1.89 1.79 1.19 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 82 D 7.79 4.78 0.00 2.79 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 83 D 8.54 4.44 0.00 2.71 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 D 8.03 4.70 0.00 2.66 2.61 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 85 L 8.27 4.75 0.00 1.74 1.76 0.91 0.96 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 86 T 8.36 3.84 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 87 D 8.11 4.46 0.00 2.98 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 88 D 8.32 3.92 0.00 3.06 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 89 I 8.04 3.12 1.93 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.87 0.62 0.00 0.00 90 M 7.67 3.89 0.00 1.95 2.20 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.61 0.00 91 C 8.00 4.19 0.00 3.13 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 92 V 7.54 3.27 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 0.09 0.00 0.00 -0.50 0.00 0.00 93 K 7.68 3.66 0.00 1.72 1.46 0.00 1.30 0.00 0.00 0.81 0.00 0.00 2.21 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.30 1.06 7.81 94 K 7.54 3.98 0.00 1.95 1.98 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.51 7.81 95 I 7.42 2.92 1.72 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.07 -0.04 0.00 0.00 96 L 8.08 4.14 0.00 2.08 1.92 1.23 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 97 D 8.33 4.49 0.00 2.91 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 98 K 8.10 4.45 0.00 2.14 2.09 0.00 1.93 0.00 0.00 1.83 0.00 0.00 3.10 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.59 7.81 99 V 8.33 4.27 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 0.94 0.00 0.00 1.14 0.00 0.00 100 G 7.95 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 0.00 101 I 8.19 4.06 1.74 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.83 0.81 0.00 0.00 102 N 8.18 4.79 0.00 2.82 2.89 0.00 0.00 6.83 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 8.06 3.93 0.00 2.61 2.33 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 0.00 104 W 8.44 4.31 0.00 3.75 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 0.00 105 L 8.42 4.07 0.00 1.70 1.70 0.79 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.08 4.06 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 0.00 107 H 8.09 3.94 0.00 3.14 3.43 0.00 5.59 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 0.00 108 K 8.19 4.21 0.00 1.98 1.83 0.00 1.68 0.00 0.00 2.38 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.36 7.81 109 A 7.59 4.14 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 0.00 110 L 8.32 4.69 0.00 1.69 1.65 0.92 0.87 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 0.00 111 C 8.27 4.99 0.00 2.83 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 0.00 112 S 8.08 4.62 0.00 3.78 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 0.00 113 E 7.59 4.91 0.00 2.04 1.88 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 2.19 2.38 0.00 114 K 8.50 3.88 0.00 1.99 2.15 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.78 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.36 1.46 7.81 115 L 7.79 4.61 0.00 1.82 1.83 1.12 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 116 D 8.22 4.46 0.00 2.73 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 Q 7.89 3.86 0.00 1.63 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.03 0.00 0.00 0.00 0.00 0.00 1.86 1.16 0.00 118 W 7.65 4.78 0.00 3.55 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 L 6.91 4.23 0.00 1.58 1.49 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 120 C 7.72 4.19 0.00 2.73 2.48 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 0.00 121 E 8.75 3.92 0.00 2.18 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 2.09 1.84 0.00 122 K 7.46 4.08 0.00 1.71 1.52 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.12 0.84 7.81