NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2581 8.3144 119.9984 56.1643 34.0198 175.2287 2 E 3.7578 8.1366 120.7226 55.5359 30.0197 175.2042 3 T 4.1384 8.7216 118.2328 61.3551 72.1012 175.0308 4 A 3.9651 8.4921 123.5644 55.2315 18.5697 179.9889 5 A 4.1218 7.9700 118.6804 55.3533 18.5542 179.5977 6 A 4.0214 8.2946 119.4802 55.1134 18.3491 179.8051 7 K 4.1504 8.3337 119.7650 58.9486 32.1570 178.8533 8 F 4.0679 8.4121 121.0708 61.4045 39.3445 177.0327 9 E 4.0019 8.3490 117.9654 59.3296 29.0116 179.3513 10 R 3.8883 7.9415 118.0164 59.4650 30.2536 178.1763 11 Q 4.0116 7.9936 116.7517 57.7116 29.1719 176.1644 12 H 5.0101 7.9479 113.8480 54.0696 31.1763 172.9548 13 M 4.8662 7.9579 119.0040 53.6372 33.7432 176.5560 14 D 4.7617 8.8100 122.8459 53.5964 42.8151 175.3603 15 S 4.6808 8.4087 114.1472 58.1854 64.9366 174.9870 16 S 3.9930 8.1204 111.6552 61.5619 61.4426 177.2425 17 T 4.4416 8.7222 111.4964 60.3683 71.6016 174.3528 18 S 4.2823 8.5489 113.9044 61.1401 63.8172 174.0524 19 A 4.2024 7.1609 119.3806 50.3727 21.5218 175.4413 20 A 3.8991 8.0227 124.3330 52.4385 18.8327 178.0937 21 S 4.7895 8.2167 119.2907 57.8024 63.8451 174.3161 22 S 4.6102 7.4346 111.6329 57.5465 64.9287 175.6992 23 S 4.4124 8.7611 116.8850 59.7675 63.5056 174.0096 24 N 4.6790 7.9700 119.3252 53.9279 39.4650 175.2943 25 Y 4.1438 7.9928 118.8881 62.1558 38.7307 177.6109 26 C 4.0524 8.2408 116.6888 60.0263 38.5589 175.8208 27 N 4.4589 8.2236 117.8336 56.3531 38.0654 177.2313 28 Q 3.9312 7.9107 118.6711 59.2993 28.8759 178.3338 29 M 3.7499 7.7445 122.2595 57.7622 31.8070 178.6321 30 M 3.9332 8.1789 119.1483 57.9692 31.9492 178.8991 31 K 3.9468 7.5717 119.5755 59.5075 32.2822 179.1467 32 S 4.1777 8.2491 114.8345 61.1854 62.5532 175.5556 33 R 4.3128 7.9360 119.3317 55.0686 30.3145 175.8658 34 N 4.1990 7.9423 114.8475 54.9572 36.6238 174.7535 35 L 4.6670 8.2404 115.0823 54.8243 42.2780 178.0463 36 T 5.4067 7.6056 105.2606 60.0609 69.2683 174.7344 37 K 3.9316 7.9055 122.4340 59.5460 32.4767 177.1129 38 D 4.5088 7.7303 120.2293 55.3895 42.1324 176.3905 39 R 3.8245 7.1331 113.5698 55.0296 31.9385 174.4231 40 C 4.9008 8.4428 116.2869 55.3521 40.0509 173.9263 41 K 4.1000 8.5074 127.3858 55.9584 32.2132 174.5128 42 P 4.5623 0.0000 0.0000 65.2968 32.1681 176.4361 43 V 4.9229 7.6252 116.6561 61.1053 34.4741 173.9836 44 N 4.7633 9.3351 125.9247 52.5819 42.9763 172.8303 45 T 4.7715 7.9459 122.0081 61.6523 71.5323 172.9801 46 F 5.0617 8.9179 124.5494 55.6683 41.9564 174.5531 47 V 4.3615 8.9451 124.0559 61.1616 33.1347 176.0398 48 H 5.2240 8.8385 127.2144 55.6484 27.2682 173.3464 49 E 4.8336 7.8568 116.2513 53.4080 34.0973 176.9667 50 S 4.3496 8.3319 114.8378 58.3784 64.9076 174.9804 51 L 4.0066 8.5714 124.3710 58.2664 41.8984 179.1566 52 A 3.9985 8.0096 120.2641 55.4385 18.1564 179.2205 53 D 4.3265 7.9550 116.0071 57.4236 41.1546 178.9550 54 V 3.7762 7.8671 118.8275 66.1614 31.5971 178.2121 55 Q 3.9264 8.5506 117.9376 58.6731 28.4939 178.4079 56 A 4.0685 7.8893 121.3169 54.3400 18.2638 179.5892 57 V 3.4412 7.6072 117.1383 65.8936 31.3016 176.8383 58 C 3.7444 7.5998 114.0283 58.0548 39.8705 174.1457 59 S 4.6842 7.4933 115.7097 58.2154 64.0048 174.4783 60 Q 4.2202 7.3239 120.3173 55.5088 30.7220 177.9706 61 K 4.2071 8.1921 132.8394 57.1919 32.9371 175.2511 62 N 4.2508 8.7538 127.6128 53.5324 39.4756 174.3176 63 V 4.5724 8.4440 118.3355 59.4144 36.8607 174.6887 64 A 4.1512 8.4163 124.4530 52.3305 19.2734 178.0906 65 C 4.7049 8.9395 118.7528 55.0239 41.9367 175.4572 66 K 3.7934 8.8050 120.4670 59.6105 32.0427 177.7047 67 N 4.5619 7.9939 114.5792 52.6118 37.7725 175.3820 68 G 4.0228 7.9199 107.7521 45.7588 0.0000 174.5776 69 Q 4.2450 8.4473 118.9855 56.1982 29.2185 176.2868 70 T 4.6678 8.2307 109.3273 61.7404 69.3954 174.0269 71 N 5.0166 8.0569 116.8078 54.1868 38.7918 174.6293 72 C 5.2234 7.6396 116.4713 56.9222 44.2512 172.5270 73 Y 5.1238 8.9871 118.4738 56.3979 41.9414 173.9579 74 Q 5.0632 9.2215 125.8652 54.2272 31.1007 174.8752 75 S 4.3425 8.7870 122.3172 58.6690 63.1597 174.2551 76 Y 4.4828 9.1938 122.1934 60.8208 37.8863 176.8212 77 S 4.8334 7.8784 113.8817 57.0414 64.8981 173.6200 78 T 4.2760 8.0327 112.0906 61.8446 70.0118 173.7525 79 M 5.0351 9.0485 121.7759 53.3894 36.8760 174.6843 80 S 4.8389 9.4559 117.6220 58.3323 63.6132 173.1464 81 I 5.1012 9.0395 120.1008 59.6785 41.9610 173.9860 82 T 5.0105 8.8961 118.5172 61.9965 72.0770 172.9019 83 D 5.0214 9.2360 127.0760 53.1418 43.0952 174.7775 84 C 5.3548 9.1689 121.4609 55.2323 44.1345 172.9422 85 R 5.2159 8.6657 124.2634 54.0648 32.7942 174.0728 86 E 4.1306 9.2490 128.2718 56.6558 29.9708 176.8651 87 T 4.1661 8.4963 116.1434 61.2011 69.6341 175.3683 88 G 3.6346 8.4583 109.4145 46.8319 0.0000 174.3257 89 S 4.6046 7.2374 114.0190 57.9257 64.6654 174.6052 90 S 4.0871 7.4886 115.5357 58.4957 62.7221 173.5791 91 K 4.4538 8.3176 125.9102 54.9176 35.0242 174.7611 92 Y 4.4449 8.7370 127.6894 57.5848 39.0702 174.1435 93 P 3.0840 0.0000 0.0000 63.1757 32.2431 176.9007 94 N 4.6258 7.6647 119.8492 52.1309 36.9527 172.8217 95 C 4.3172 8.0147 116.6415 56.5693 42.8337 173.2055 96 A 5.1102 9.0041 126.3849 50.3170 21.6046 174.5477 97 Y 5.1404 9.3532 118.5160 56.0749 42.1771 174.7343 98 K 4.6096 8.9757 123.4131 55.3084 34.4330 174.9938 99 T 4.9546 8.5759 123.8573 62.5495 70.2355 174.1937 100 T 4.6585 8.6603 122.5122 61.8429 72.1523 173.4391 101 Q 4.7708 8.8722 125.3525 55.8841 30.0469 174.8891 102 A 4.6004 8.8230 123.0776 51.2868 23.7368 174.9922 103 N 5.5776 8.4658 116.7365 51.7018 41.1331 173.0493 104 K 4.7025 8.2547 124.4809 55.0835 37.7854 174.8340 105 H 4.8636 9.3585 119.0648 55.8108 29.8030 175.2473 106 I 4.7603 8.7049 116.5003 59.4950 40.4663 174.5604 107 I 4.8727 8.1650 124.6487 59.7549 40.0312 175.0575 108 V 4.7782 8.5663 119.4807 59.2778 36.1655 174.5593 109 A 4.9001 8.7041 124.9869 51.3433 20.3239 175.7732 110 C 5.0875 8.4836 119.3837 55.2121 41.8878 173.0744 111 E 4.7433 8.7099 121.0040 56.6678 33.8566 175.6798 112 G 3.7959 9.1915 109.9613 44.9877 0.0000 171.7355 113 N 4.8455 8.1449 116.0550 50.5591 40.2169 172.0979 114 P 4.3521 0.0000 0.0000 62.6955 31.9742 176.1578 115 Y 4.9574 8.2514 121.2453 57.1624 38.3578 174.4375 116 V 4.4019 7.9438 118.3315 58.0633 36.7554 173.2080 117 P 4.4596 0.0000 0.0000 62.9637 31.1265 177.0942 118 V 4.4366 8.6528 115.2212 61.0813 33.7940 175.3110 119 H 5.0155 7.8277 116.7134 54.7174 33.4082 172.3604 120 F 4.6943 9.0307 125.4580 57.1647 39.4301 174.7538 121 D 4.5283 8.6887 127.1862 56.1042 41.7510 175.6587 122 A 4.6522 6.5894 117.4734 51.8478 22.5232 174.5020 123 S 5.1573 8.8269 112.1320 56.9308 66.3605 174.8186 124 V 4.1610 8.9227 114.8956 61.7296 32.5895 175.3465 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 K 8.31 4.26 0.00 1.88 1.97 0.00 1.58 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.39 7.81 2 E 8.14 3.76 0.00 2.11 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 2.40 2.37 0.00 3 T 8.72 4.14 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 1.22 0.00 0.00 4 A 8.49 3.97 1.31 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 0.00 0.00 0.00 5 A 7.97 4.12 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 6 A 8.29 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 7 K 8.33 4.15 0.00 1.96 2.02 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.30 7.81 8 F 8.41 4.07 0.00 3.24 3.28 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 9 E 8.35 4.00 0.00 2.31 2.04 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 2.53 2.67 0.00 10 R 7.94 3.89 0.00 1.81 2.08 0.00 3.24 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 11 Q 7.99 4.01 0.00 1.48 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.54 0.00 0.00 0.00 0.00 0.00 2.21 2.41 0.00 12 H 7.95 5.01 0.00 1.99 2.74 0.00 5.58 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 7.96 4.87 0.00 1.96 2.16 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.62 0.00 14 D 8.81 4.76 0.00 2.77 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 15 S 8.41 4.68 0.00 3.94 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 16 S 8.12 3.99 0.00 3.95 3.64 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 17 T 8.72 4.44 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 1.17 0.00 0.00 18 S 8.55 4.28 0.00 3.97 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.16 4.20 1.12 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 20 A 8.02 3.90 0.60 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 21 S 8.22 4.79 0.00 3.84 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 22 S 7.43 4.61 0.00 3.97 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 23 S 8.76 4.41 0.00 4.04 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 24 N 7.97 4.68 0.00 2.77 2.85 0.00 0.00 6.78 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 25 Y 7.99 4.14 0.00 3.12 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 26 C 8.24 4.05 0.00 3.14 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 27 N 8.22 4.46 0.00 3.06 2.93 0.00 0.00 6.89 7.74 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 28 Q 7.91 3.93 0.00 2.29 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 29 M 7.74 3.75 0.00 0.94 1.37 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.53 0.00 30 M 8.18 3.93 0.00 1.62 1.82 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.31 0.00 31 K 7.57 3.95 0.00 1.97 1.92 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.45 7.81 32 S 8.25 4.18 0.00 4.00 4.07 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 33 R 7.94 4.31 0.00 1.91 2.10 0.00 3.63 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.06 0.00 34 N 7.94 4.20 0.00 2.88 2.90 0.00 0.00 6.77 7.59 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 35 L 8.24 4.67 0.00 1.76 1.60 0.79 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.61 5.41 4.43 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 1.46 0.00 0.00 37 K 7.91 3.93 0.00 1.75 1.82 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.56 7.81 38 D 7.73 4.51 0.00 2.60 2.57 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 39 R 7.13 3.82 0.00 1.70 1.76 0.00 3.04 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 40 C 8.44 4.90 0.00 3.05 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 41 K 8.51 4.10 0.00 1.91 1.77 0.00 1.78 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.42 7.81 42 P 0.00 4.56 0.00 2.14 2.11 0.00 3.62 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 2.13 2.11 0.00 43 V 7.63 4.92 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 0.78 0.00 0.00 0.97 0.00 0.00 44 N 9.34 4.76 0.00 2.60 2.25 0.00 0.00 6.69 6.77 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 45 T 7.95 4.77 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 0.94 0.00 0.00 46 F 8.92 5.06 0.00 3.02 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 47 V 8.95 4.36 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 1.06 0.00 0.00 1.10 0.00 0.00 48 H 8.84 5.22 0.00 3.11 3.22 0.00 5.65 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.86 4.83 0.00 1.96 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 2.25 2.25 0.00 50 S 8.33 4.35 0.00 4.07 4.02 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 51 L 8.57 4.01 0.00 1.83 1.75 1.03 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.01 4.00 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 53 D 7.96 4.33 0.00 2.85 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 54 V 7.87 3.78 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 1.22 0.00 0.00 1.07 0.00 0.00 55 Q 8.55 3.93 0.00 2.27 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.31 2.49 0.00 56 A 7.89 4.07 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 57 V 7.61 3.44 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 1.05 0.00 0.00 0.95 0.00 0.00 58 C 7.60 3.74 0.00 2.80 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 59 S 7.49 4.68 0.00 3.91 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 60 Q 7.32 4.22 0.00 1.62 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.94 0.00 0.00 0.00 0.00 0.00 1.51 1.98 0.00 61 K 8.19 4.21 0.00 1.99 1.86 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.48 7.81 62 N 8.75 4.25 0.00 2.74 2.64 0.00 0.00 7.00 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 63 V 8.44 4.57 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.80 0.00 0.00 64 A 8.42 4.15 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 65 C 8.94 4.70 0.00 3.13 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 66 K 8.81 3.79 0.00 1.85 1.93 0.00 1.92 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.37 7.81 67 N 7.99 4.56 0.00 2.83 2.93 0.00 0.00 6.31 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 68 G 7.92 4.02 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 0.00 0.00 0.00 69 Q 8.45 4.25 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.87 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 70 T 8.23 4.67 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 1.17 0.00 0.00 71 N 8.06 5.02 0.00 3.05 3.12 0.00 0.00 6.05 7.68 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 72 C 7.64 5.22 0.00 2.89 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 0.00 73 Y 8.99 5.12 0.00 2.74 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 74 Q 9.22 5.06 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.00 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 75 S 8.79 4.34 0.00 3.91 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 76 Y 9.19 4.48 0.00 3.02 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 77 S 7.88 4.83 0.00 3.91 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 78 T 8.03 4.28 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 0.99 0.00 0.00 79 M 9.05 5.04 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 80 S 9.46 4.84 0.00 3.91 3.88 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 81 I 9.04 5.10 1.96 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 1.25 0.85 1.05 0.00 0.00 82 T 8.90 5.01 4.52 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 0.00 0.00 1.45 0.00 0.00 83 D 9.24 5.02 0.00 2.60 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 84 C 9.17 5.35 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 85 R 8.67 5.22 0.00 1.85 1.79 0.00 3.14 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 86 E 9.25 4.13 0.00 1.71 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 2.07 0.00 87 T 8.50 4.17 4.21 0.00 0.00 0.00 0.00 0.00 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 88 G 8.46 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 0.00 0.00 0.00 89 S 7.24 4.60 0.00 3.63 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 90 S 7.49 4.09 0.00 3.78 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 91 K 8.32 4.45 0.00 1.82 1.57 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.40 7.81 92 Y 8.74 4.44 0.00 2.91 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 93 P 0.00 3.08 0.00 1.75 1.11 0.00 3.62 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 94 N 7.66 4.63 0.00 2.92 2.76 0.00 0.00 6.97 7.83 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 95 C 8.01 4.32 0.00 3.12 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.00 5.11 1.12 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 97 Y 9.35 5.14 0.00 2.92 2.87 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 98 K 8.98 4.61 0.00 1.92 1.72 0.00 1.53 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.49 7.81 99 T 8.58 4.95 4.33 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 1.35 0.00 0.00 100 T 8.66 4.66 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 1.24 0.00 0.00 101 Q 8.87 4.77 0.00 1.93 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 102 A 8.82 4.60 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 0.00 103 N 8.47 5.58 0.00 2.69 2.70 0.00 0.00 7.12 6.68 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 0.00 104 K 8.25 4.70 0.00 1.75 1.99 0.00 1.77 0.00 0.00 1.87 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.50 7.81 105 H 9.36 4.86 0.00 3.15 3.35 0.00 5.60 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.70 4.76 1.73 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.08 1.12 0.00 0.00 107 I 8.16 4.87 1.78 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.92 0.79 0.00 0.00 108 V 8.57 4.78 1.92 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 0.60 0.00 0.00 0.77 0.00 0.00 109 A 8.70 4.90 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 0.00 110 C 8.48 5.09 0.00 2.10 1.63 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 0.00 111 E 8.71 4.74 0.00 2.01 1.68 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 2.18 2.27 0.00 112 G 9.19 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 0.00 113 N 8.14 4.85 0.00 2.64 2.71 0.00 0.00 6.94 7.69 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 0.00 114 P 0.00 4.35 0.00 2.22 2.05 0.00 3.82 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 115 Y 8.25 4.96 0.00 2.81 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 0.00 116 V 7.94 4.40 1.92 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 0.77 0.00 0.00 0.87 0.00 0.00 117 P 0.00 4.46 0.00 0.49 0.90 0.00 3.30 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 118 V 8.65 4.44 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 0.64 0.00 0.00 0.87 0.00 0.00 119 H 7.83 5.02 0.00 3.07 3.18 0.00 5.60 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 9.03 4.69 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 0.00 121 D 8.69 4.53 0.00 2.61 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 0.00 122 A 6.59 4.65 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 0.00 123 S 8.83 5.16 0.00 4.01 4.07 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 0.00 124 V 8.92 4.16 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 0.68 0.00 0.00 0.95 0.00 0.00