NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1821 8.1727 122.0508 56.2848 34.1658 174.0177 2 V 4.5532 8.1489 126.4228 60.8077 32.4421 174.5430 3 F 4.4741 9.3686 127.8800 57.2566 40.3417 174.7521 4 E 4.2127 8.9842 122.5213 55.5817 30.9378 176.7224 5 R 3.3217 8.8965 124.7462 60.3369 29.9184 179.5384 6 C 4.3170 8.2864 115.2919 59.7629 41.4225 175.6787 7 E 3.8859 8.1983 120.8118 59.1721 29.2493 178.6904 8 L 3.5743 8.0803 120.1520 57.8321 42.0704 178.5836 9 A 3.9262 7.8456 120.6797 55.4963 18.3495 179.9136 10 R 3.8829 8.2714 116.7223 59.5028 30.0951 179.4979 11 T 3.8377 7.9902 115.6404 66.7366 68.5142 176.6817 12 L 3.8709 8.3433 121.1223 57.5201 41.5472 179.5538 13 K 3.9153 8.1750 119.6976 59.5652 31.9495 178.9182 14 R 3.9456 7.8053 117.7955 59.0097 30.0625 177.5294 15 L 4.3399 7.5092 116.2005 54.3576 41.7866 177.0690 16 G 3.8448 7.8148 107.0599 46.6963 0.0000 174.8460 17 M 3.9230 7.8646 120.4006 55.9812 32.4083 175.7922 18 D 4.5461 7.9738 118.3817 55.8076 41.1487 175.8614 19 G 3.9674 9.2675 115.8171 45.2856 0.0000 171.5407 20 Y 4.0729 8.1608 121.6383 58.9437 38.9887 176.3572 21 R 3.5118 8.8969 126.2002 57.2115 27.9322 176.8438 22 G 3.8318 8.0471 102.0841 46.0262 0.0000 173.8878 23 I 4.2501 7.6524 121.3209 58.6244 38.9456 175.9384 24 S 4.6419 8.3744 120.0277 57.8028 63.8819 174.8714 25 L 4.2649 9.0716 123.4293 58.5468 41.6211 179.2773 26 A 4.1666 7.6727 120.5703 55.3754 18.2520 179.4195 27 N 4.4078 8.1500 114.4277 56.2986 38.5367 177.7081 28 W 4.1877 7.9627 119.8541 59.9497 29.2266 178.2762 29 M 4.1542 8.4274 118.6974 58.5701 31.4847 177.8316 30 C 3.1988 8.2850 118.7619 59.2573 44.6421 175.3029 31 L 3.9600 8.1288 121.5243 58.3756 41.7129 178.8951 32 A 4.1619 8.4384 120.8636 54.8151 18.2551 179.4298 33 K 2.7566 7.9982 118.1618 59.3960 32.0380 179.1872 34 W 4.3028 7.6284 117.3557 59.1740 29.0317 178.5081 35 E 4.3280 8.3743 118.6670 58.7868 29.0090 177.8506 36 S 4.5427 7.8360 109.8877 56.6426 64.3880 174.6272 37 G 3.2722 8.1168 108.9077 46.8437 0.0000 173.2811 38 Y 3.6287 7.6152 113.7439 58.6926 35.4908 168.4810 39 N 5.3023 7.6730 118.6057 51.9618 40.2575 175.6801 40 T 4.1130 8.9776 117.2844 63.8756 69.1815 175.8976 41 R 4.3859 7.8985 116.4210 55.7434 30.1728 176.3184 42 A 4.3280 7.5593 121.4025 52.8578 19.3169 176.9645 43 T 5.0526 8.3180 110.7926 60.1762 72.4898 173.0466 44 N 4.8736 8.7332 121.8863 52.5369 42.1140 172.3247 45 Y 4.7025 8.7405 127.7659 56.9848 40.9226 174.0672 46 N 4.6029 8.5759 124.8792 51.3118 38.0879 175.4038 47 A 3.5681 8.2406 127.2091 54.7077 18.9201 179.2728 48 G 3.7827 8.0207 104.1261 48.2493 0.0000 173.7361 49 D 4.6567 7.2530 114.3466 51.9330 40.6405 175.3521 50 R 3.9017 8.2885 116.4960 56.8511 28.2570 175.8780 51 S 4.9679 7.6407 111.7080 57.1238 66.2611 172.7307 52 T 5.0966 8.9732 116.2705 61.9371 72.5901 172.7703 53 D 5.4039 8.9063 124.9839 53.1456 43.2474 175.1065 54 Y 5.0383 9.1068 120.8149 57.4225 41.8342 177.3725 55 G 4.5621 9.1998 112.1814 45.9680 0.0000 173.5592 56 I 3.9713 8.2126 116.8063 62.9028 37.8649 177.1922 57 F 4.8498 8.0036 115.6894 56.5109 39.9301 175.0841 58 Q 3.6591 8.0582 119.2144 57.1105 26.6214 174.3563 59 I 4.1857 8.0786 118.7583 61.3915 38.8036 176.7273 60 N 5.3861 9.0713 125.9282 52.9726 39.9265 175.8230 61 S 4.3379 9.2609 120.7438 60.8322 63.1176 175.6019 62 R 3.8173 8.7619 121.4407 58.6258 30.0090 176.5164 63 Y 4.4017 7.6280 112.7524 57.0696 40.3734 176.6133 64 W 5.0265 7.7889 118.8909 57.3727 31.3571 173.4226 65 C 5.4820 8.1505 112.0381 54.0783 44.8212 172.6282 66 N 5.1021 9.2257 118.8778 51.9266 40.3795 174.5549 67 D 4.8116 8.6639 123.4018 52.0453 40.7489 178.1493 68 G 4.3059 8.4169 111.1322 46.0745 0.0000 174.6025 69 K 4.4116 8.0672 119.7240 54.3273 31.4320 174.2785 70 T 4.5326 7.5018 119.4049 62.9290 72.4804 171.0167 71 P 4.1233 0.0000 0.0000 63.6931 30.7849 175.1797 72 G 4.4181 8.0191 110.3270 43.7792 0.0000 171.2905 73 A 4.0637 8.3597 123.2360 51.4570 22.8302 176.8712 74 V 4.0655 8.2956 123.5279 59.9796 31.7115 175.3087 74A C 4.2061 8.3981 124.1904 58.7191 27.8504 173.7256 74B R 4.3840 9.4667 127.9963 55.0364 31.7218 177.9816 74C G 3.9765 9.0143 118.0640 46.9411 0.0000 173.1543 74D D 4.9031 9.0417 122.4053 52.6885 40.0496 178.3044 74E S 4.0216 8.0863 116.6160 61.4418 62.7021 174.9343 74F C 4.4573 7.8232 115.9533 59.9912 29.3083 173.7677 75 N 4.9741 8.0570 118.3162 52.5202 39.4106 174.5584 76 A 4.0832 8.7258 124.0324 54.7378 19.1589 178.4871 77 C 4.4612 8.3392 111.7021 57.4305 40.9540 173.0252 78 H 4.0836 7.8107 115.8136 56.4794 26.2418 174.5334 79 L 4.7862 8.2100 117.3163 52.8901 46.3704 176.5588 80 S 4.6140 8.4209 115.9936 58.0559 63.2575 175.8656 81 C 3.9336 8.7317 124.7134 60.0178 38.7368 176.3780 82 S 3.8937 7.7945 114.2372 61.4591 61.5932 176.1385 83 A 4.1215 7.8370 122.4080 54.4963 18.2171 177.9958 84 L 4.4005 7.9083 116.1975 55.3124 41.7975 177.7097 85 L 5.0362 7.8386 117.4512 54.5419 42.3093 176.6539 86 Q 4.4032 7.8401 117.8404 55.1894 29.6343 175.9164 87 D 4.4407 8.5328 119.5256 57.0434 41.1336 176.8684 88 N 4.6415 8.0244 117.9400 53.0832 39.6540 174.7116 89 I 4.2999 8.4056 118.3147 60.9301 38.0537 177.1239 90 A 3.9452 8.5984 125.1791 56.0375 18.1978 180.1902 91 D 4.2878 8.0874 116.4690 57.3393 40.9310 178.6685 92 A 4.0937 7.9874 120.8848 55.1509 18.3886 179.7101 93 V 3.3444 8.2706 116.9157 66.0750 31.7563 178.0112 94 A 3.8050 7.9935 120.5310 55.2532 18.0914 178.8943 95 C 4.1363 8.3288 116.6510 59.7339 39.7143 175.4688 96 A 3.9209 8.2158 122.8018 55.2499 17.5884 179.7206 97 K 3.6774 7.6292 115.9918 59.4828 32.4201 179.2375 98 R 4.0301 7.7007 118.6876 59.1316 30.0575 178.5344 99 V 2.1834 7.3575 118.1456 65.7844 31.4381 178.1357 100 V 3.9378 7.7474 110.0962 62.9226 31.2547 178.1914 101 R 4.2151 7.6623 117.3753 57.4974 30.4203 176.5764 102 D 4.7337 7.3893 118.5438 52.8486 41.8502 175.3937 103 P 4.2513 0.0000 0.0000 66.0938 31.7047 178.3799 104 Q 4.0404 8.2067 116.3913 56.7115 29.9532 177.5128 105 G 3.6490 7.9722 107.4170 46.9321 0.0000 176.1475 106 I 3.6598 7.8585 120.5331 63.4089 37.9059 177.6881 107 R 4.2494 7.4768 117.5441 57.7032 29.8950 177.5034 108 A 4.1346 7.7350 120.5950 53.3034 18.5474 177.4787 109 W 4.7788 8.1884 116.8157 55.2566 30.3080 177.5933 110 V 3.7496 8.7494 117.7383 64.4753 30.9841 178.1516 111 A 4.0549 8.3811 120.0533 55.0641 18.0172 179.4052 112 W 3.9485 8.3124 126.6525 60.5264 30.5919 178.3762 113 R 3.9535 8.2676 116.3786 59.4548 29.7021 178.3244 114 N 4.3410 7.8667 114.4819 55.8559 38.7263 176.9235 115 R 4.0968 7.6486 115.5458 55.8997 31.3049 175.9925 116 C 4.5739 7.1572 114.7675 57.8411 42.7971 174.2455 117 Q 3.0434 6.6681 119.7885 57.3716 28.6576 175.8017 118 N 4.1720 8.5898 121.3947 54.5994 36.2306 173.8205 119 R 4.5446 7.3253 114.4001 54.0287 33.7880 175.5393 120 D 4.5466 8.4821 118.9646 54.0398 40.4635 176.1431 121 V 4.4686 8.2023 119.4621 61.5464 32.5433 178.5367 122 R 4.0371 8.3053 121.4065 59.2036 29.6609 178.5438 123 Q 3.9430 8.0528 117.0342 59.6611 27.9614 178.5262 124 Y 4.1872 7.5375 117.5649 60.0275 38.1475 177.6157 125 V 4.3241 7.7383 111.0836 59.8461 32.7701 175.5059 126 Q 4.0502 7.2073 120.7485 57.3993 29.2394 176.1416 127 G 3.9448 8.7729 112.0196 46.7889 0.0000 174.7469 128 C 4.4822 8.0760 116.0981 56.2763 40.7512 174.1382 129 G 3.7937 8.1178 107.1651 46.8340 0.0000 174.0615 130 V 3.9948 7.8813 117.9460 61.0654 31.9621 175.9802 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 8.17 4.18 0.00 1.84 1.64 0.00 1.27 0.00 0.00 1.10 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.82 1.11 7.81 2 V 8.15 4.55 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 0.91 0.00 0.00 0.95 0.00 0.00 3 F 9.37 4.47 0.00 2.84 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 4 E 8.98 4.21 0.00 2.04 1.80 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 2.28 2.40 0.00 5 R 8.90 3.32 0.00 1.91 1.89 0.00 3.55 0.00 0.00 3.48 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 6 C 8.29 4.32 0.00 3.25 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 7 E 8.20 3.89 0.00 2.03 2.22 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 2.57 2.38 0.00 8 L 8.08 3.57 0.00 1.41 1.40 -0.20 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.85 3.93 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 10 R 8.27 3.88 0.00 1.85 1.99 0.00 3.14 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 11 T 7.99 3.84 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 1.21 0.00 0.00 12 L 8.34 3.87 0.00 1.69 1.59 0.94 0.52 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 13 K 8.17 3.92 0.00 1.83 1.93 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.45 7.81 14 R 7.81 3.95 0.00 2.00 2.07 0.00 3.30 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 15 L 7.51 4.34 0.00 1.55 1.55 0.85 0.92 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 16 G 7.81 3.84 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 0.00 0.00 0.00 17 M 7.86 3.92 0.00 1.21 1.93 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.20 0.00 18 D 7.97 4.55 0.00 2.68 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 9.27 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 20 Y 8.16 4.07 0.00 3.38 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 21 R 8.90 3.51 0.00 1.89 1.85 0.00 3.29 0.00 0.00 3.08 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 1.46 0.00 22 G 8.05 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 0.00 0.00 0.00 23 I 7.65 4.25 1.80 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.93 -0.31 0.00 0.00 24 S 8.37 4.64 0.00 4.06 4.03 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 25 L 9.07 4.26 0.00 2.03 1.82 0.99 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 26 A 7.67 4.17 1.56 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 0.00 0.00 27 N 8.15 4.41 0.00 2.79 2.72 0.00 0.00 7.02 7.22 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 28 W 7.96 4.19 0.00 3.53 3.17 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 29 M 8.43 4.15 0.00 2.17 2.41 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 2.72 2.97 0.00 30 C 8.29 3.20 0.00 2.85 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 31 L 8.13 3.96 0.00 1.81 1.82 0.73 -0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.44 4.16 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.00 2.76 0.00 1.59 1.43 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.73 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.60 1.30 7.81 34 W 7.63 4.30 0.00 3.33 3.21 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 0.00 35 E 8.37 4.33 0.00 2.08 2.14 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 2.64 2.76 0.00 36 S 7.84 4.54 0.00 4.09 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 37 G 8.12 3.27 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 0.00 38 Y 7.62 3.63 0.00 3.23 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 39 N 7.67 5.30 0.00 2.83 2.82 0.00 0.00 7.01 7.10 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 40 T 8.98 4.11 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 1.47 0.00 0.00 41 R 7.90 4.39 0.00 2.00 2.10 0.00 3.09 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.59 0.00 42 A 7.56 4.33 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 43 T 8.32 5.05 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 1.27 0.00 0.00 44 N 8.73 4.87 0.00 2.85 2.76 0.00 0.00 6.86 7.67 0.00 0.00 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 Y 8.74 4.70 0.00 3.08 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 46 N 8.58 4.60 0.00 2.65 2.60 0.00 0.00 6.61 7.02 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 47 A 8.24 3.57 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 48 G 8.02 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 49 D 7.25 4.66 0.00 2.69 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.29 3.90 0.00 2.02 2.20 0.00 3.12 0.00 0.00 3.19 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.54 0.00 51 S 7.64 4.97 0.00 3.90 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 52 T 8.97 5.10 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 0.58 0.00 0.00 53 D 8.91 5.40 0.00 2.70 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.11 5.04 0.00 2.96 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 55 G 9.20 4.56 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 0.00 0.00 0.00 56 I 8.21 3.97 1.68 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 1.04 1.87 0.03 0.00 0.00 57 F 8.00 4.85 0.00 3.30 3.16 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 58 Q 8.06 3.66 0.00 2.59 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.83 0.00 0.00 0.00 0.00 0.00 2.56 2.72 0.00 59 I 8.08 4.19 2.12 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.10 1.08 0.00 0.00 60 N 9.07 5.39 0.00 3.04 2.89 0.00 0.00 6.97 8.13 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 61 S 9.26 4.34 0.00 4.06 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 0.00 62 R 8.76 3.82 0.00 1.62 1.94 0.00 3.07 0.00 0.00 2.97 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.07 0.00 63 Y 7.63 4.40 0.00 1.61 1.62 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 64 W 7.79 5.03 0.00 3.45 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 65 C 8.15 5.48 0.00 3.06 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 66 N 9.23 5.10 0.00 2.81 2.69 0.00 0.00 7.13 8.17 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 67 D 8.66 4.81 0.00 2.97 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 68 G 8.42 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 0.00 0.00 0.00 0.00 69 K 8.07 4.41 0.00 1.84 1.85 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.54 1.47 7.81 70 T 7.50 4.53 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 1.18 0.00 0.00 71 P 0.00 4.12 0.00 2.21 2.06 0.00 3.82 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.97 0.00 72 G 8.02 4.42 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 0.00 73 A 8.36 4.06 1.07 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 0.00 0.00 74 V 8.30 4.07 2.05 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 0.77 0.00 0.00 0.91 0.00 0.00 74A C 8.40 4.21 0.00 2.95 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 74B R 9.47 4.38 0.00 1.81 1.80 0.00 3.27 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 74C G 9.01 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 0.00 0.00 0.00 74D D 9.04 4.90 0.00 2.88 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 74E S 8.09 4.02 0.00 3.98 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 0.00 74F C 7.82 4.46 0.00 2.90 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 75 N 8.06 4.97 0.00 2.72 2.64 0.00 0.00 6.98 9.28 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 76 A 8.73 4.08 1.44 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 0.00 0.00 77 C 8.34 4.46 0.00 3.30 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 H 7.81 4.08 0.00 3.37 3.39 0.00 5.81 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.21 4.79 0.00 1.68 1.49 0.95 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.42 4.61 0.00 3.83 3.70 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 81 C 8.73 3.93 0.00 2.18 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 82 S 7.79 3.89 0.00 3.84 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 83 A 7.84 4.12 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 84 L 7.91 4.40 0.00 1.91 1.83 1.04 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.84 5.04 0.00 1.80 1.72 1.13 1.13 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 86 Q 7.84 4.40 0.00 2.22 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.54 7.10 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 87 D 8.53 4.44 0.00 2.63 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 88 N 8.02 4.64 0.00 2.70 2.74 0.00 0.00 6.93 7.94 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 89 I 8.41 4.30 1.79 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.02 0.96 0.00 0.00 90 A 8.60 3.95 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 91 D 8.09 4.29 0.00 2.72 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 92 A 7.99 4.09 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 93 V 8.27 3.34 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 0.79 0.00 0.00 0.95 0.00 0.00 94 A 7.99 3.81 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 95 C 8.33 4.14 0.00 3.10 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 96 A 8.22 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.63 3.68 0.00 1.58 1.42 0.00 1.29 0.00 0.00 0.87 0.00 0.00 2.32 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.30 0.84 7.81 98 R 7.70 4.03 0.00 1.96 2.03 0.00 3.25 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.75 0.00 99 V 7.36 2.18 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 0.03 0.00 0.00 -0.35 0.00 0.00 100 V 7.75 3.94 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 1.19 0.00 0.00 1.45 0.00 0.00 101 R 7.66 4.22 0.00 2.03 2.05 0.00 3.23 0.00 0.00 3.36 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.07 0.00 102 D 7.39 4.73 0.00 3.13 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 0.00 103 P 0.00 4.25 0.00 2.02 2.12 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 104 Q 8.21 4.04 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.94 0.00 0.00 0.00 0.00 0.00 2.42 2.32 0.00 105 G 7.97 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.86 3.66 1.09 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.17 -0.41 0.00 0.00 107 R 7.48 4.25 0.00 2.08 2.03 0.00 3.24 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.57 0.00 108 A 7.74 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 8.19 4.78 0.00 3.57 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 0.00 110 V 8.75 3.75 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 0.85 0.00 0.00 0.99 0.00 0.00 111 A 8.38 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 0.00 112 W 8.31 3.95 0.00 3.40 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.27 3.95 0.00 2.06 2.02 0.00 3.37 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.21 0.00 114 N 7.87 4.34 0.00 2.57 2.70 0.00 0.00 7.01 7.79 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 0.00 115 R 7.65 4.10 0.00 1.22 0.68 0.00 2.21 0.00 0.00 2.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.94 0.00 116 C 7.16 4.57 0.00 1.86 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 6.67 3.04 0.00 0.93 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.79 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 118 N 8.59 4.17 0.00 2.78 2.80 0.00 0.00 6.85 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 0.00 119 R 7.33 4.54 0.00 1.80 1.79 0.00 3.24 0.00 0.00 3.08 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.61 0.00 120 D 8.48 4.55 0.00 2.61 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 0.00 121 V 8.20 4.47 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 0.95 0.00 0.00 1.05 0.00 0.00 122 R 8.31 4.04 0.00 1.97 2.00 0.00 3.16 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 123 Q 8.05 3.94 0.00 2.03 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.90 0.00 0.00 0.00 0.00 0.00 1.86 1.35 0.00 124 Y 7.54 4.19 0.00 3.24 3.17 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 0.00 125 V 7.74 4.32 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 1.09 0.00 0.00 1.05 0.00 0.00 126 Q 7.21 4.05 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.48 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 127 G 8.77 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 0.00 0.00 0.00 128 C 8.08 4.48 0.00 3.04 3.14 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 0.00 129 G 8.12 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 0.00 0.00 0.00 130 V 7.88 3.99 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 0.75 0.00 0.00 0.96 0.00 0.00