NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6096 8.3649 120.5334 54.0464 42.2865 174.2549 2 I 4.0308 8.1624 121.9495 59.8676 38.0240 170.2206 3 V 4.4302 9.9235 128.6890 61.1585 34.4536 173.8112 4 L 5.1336 8.4913 126.3465 53.4109 43.8685 175.8296 5 T 4.5059 9.1650 121.2491 62.0973 70.3720 173.0485 6 Q 5.3080 8.7617 128.6041 54.4596 30.6940 174.7990 7 S 4.9361 8.9692 120.5634 56.0260 66.7760 172.2428 8 P 4.9246 0.0000 0.0000 61.6561 32.9618 175.7547 9 A 4.2903 8.4218 119.5890 54.6884 19.2577 177.5639 10 S 5.2396 7.8667 108.5195 57.3145 67.6196 173.9508 11 L 4.7328 9.0830 121.0722 53.4288 46.3814 174.9972 12 S 5.2045 8.7912 117.5472 56.5627 65.1356 172.4811 13 A 4.9298 9.1720 127.4702 51.3091 23.3376 174.5239 14 S 5.2366 8.7341 114.6522 56.2712 66.3245 174.6845 15 V 3.8352 8.5649 121.6540 65.0367 31.6809 175.9265 16 G 4.0171 9.1800 115.1053 45.3475 0.0000 173.4754 17 E 4.3830 8.1542 118.9841 56.2290 31.3106 175.7228 18 T 4.6353 8.2452 117.2480 61.9801 70.9050 174.2245 19 V 4.5413 8.3027 118.6558 59.8049 35.7535 174.7237 20 T 4.9724 8.1766 117.3671 61.9872 72.3756 173.5403 21 I 4.8278 8.6957 126.0225 59.6769 40.9319 174.7058 22 T 5.3180 9.0140 116.3731 60.4593 72.2084 172.8213 23 C 5.4575 9.7291 120.2450 55.9519 41.2951 173.2063 24 R 5.3094 9.1776 122.9728 54.3332 32.7152 174.8790 25 A 5.2439 9.0739 125.1173 50.2990 20.9511 178.2212 26 S 3.9948 9.1204 116.4448 60.5305 63.4646 174.4440 27 G 4.1592 7.5651 107.8172 43.4153 0.0000 171.9785 28 N 4.3019 8.6735 119.0261 53.9555 39.1656 174.5989 29 I 4.0307 8.3412 117.4312 59.9115 38.2438 175.2994 30 H 4.0146 9.3045 117.1574 57.3958 26.6987 175.3928 31 N 4.7338 8.3752 114.2094 54.4768 37.6880 174.6158 32 Y 4.7251 7.9882 118.5419 56.6906 36.3527 173.6308 33 L 5.1477 7.5097 122.1693 52.9657 46.1359 175.1184 34 A 5.2860 9.1762 126.8514 49.9346 23.0440 174.6367 35 W 5.4571 8.9924 118.1239 55.2584 33.4439 174.4973 36 Y 5.3617 9.6762 119.9278 56.3600 42.1613 174.0731 37 Q 4.7083 9.1714 122.5455 54.2690 32.5270 174.0425 38 Q 4.7691 9.1066 126.4433 54.4634 32.4641 174.4752 39 K 4.7257 8.6064 125.3965 54.7524 34.7306 175.9690 40 Q 4.0374 8.6172 123.0693 58.0260 29.0864 176.7721 41 G 3.9266 9.0727 112.5449 45.7713 0.0000 172.3734 42 K 4.6943 7.7023 117.3416 54.0583 35.8237 175.9341 43 S 4.5615 8.2664 115.7888 57.3660 63.8368 172.8778 44 P 4.6969 0.0000 0.0000 63.0611 32.1265 175.8570 45 Q 4.7707 9.2226 120.8826 53.7740 32.5351 174.7551 46 L 4.2273 8.9414 125.9045 55.6770 42.5918 175.4306 47 L 4.5656 9.0795 125.0413 55.7994 44.3881 176.6138 48 V 5.0618 7.6314 117.2159 61.2897 35.5717 173.3507 49 Y 5.0587 8.4373 123.7093 54.8642 42.0556 173.8172 50 Y 4.0444 9.5234 117.3486 57.9270 37.5677 171.5835 51 T 3.8961 8.5072 123.0178 64.2900 67.9039 174.4378 52 T 4.6269 7.5086 105.9264 61.3446 70.5226 173.6581 53 T 4.1034 7.4359 120.6076 62.7798 69.4520 174.2409 54 L 4.5817 8.3658 126.6288 54.3214 42.7608 176.9528 55 A 4.4983 9.1158 125.0016 51.3829 20.0463 176.8168 56 D 4.4860 8.6122 119.5171 56.1063 41.1617 177.6727 57 G 3.9374 9.0064 112.4040 45.1017 0.0000 173.2773 58 V 3.8400 7.3702 120.5153 61.0389 32.2350 173.9831 59 P 4.4436 0.0000 0.0000 62.8243 31.5290 177.3309 60 S 4.3646 8.7155 115.8684 60.3384 63.2363 175.3355 61 R 4.0013 7.9811 118.1070 58.5621 30.2219 176.2889 62 F 5.0649 8.1594 119.4307 56.6549 40.1934 175.6678 63 S 4.6221 9.0673 117.2719 56.9027 66.4081 173.1169 64 G 4.7470 8.9883 110.2642 43.8686 0.0000 172.1883 65 S 4.8093 9.6672 116.4036 56.4907 67.3398 172.5425 66 G 4.2005 8.2140 105.9715 43.2002 0.0000 172.4814 67 S 4.4124 7.7433 113.0448 58.1324 67.6550 181.1593 68 G 3.7786 8.4744 113.4982 47.0941 0.0000 175.4711 69 T 4.6182 8.8105 116.6972 60.9189 70.4246 173.5822 70 Q 4.9076 7.6537 121.5580 54.7685 31.4292 174.2477 71 Y 5.3730 9.1723 119.7435 56.8170 43.1637 174.0311 72 S 5.3325 9.2490 114.2779 57.4773 67.0688 172.6176 73 L 4.5285 8.3683 123.8504 52.8970 44.3571 174.7894 74 K 4.7654 8.8642 127.5279 54.5379 35.3393 174.5605 75 I 4.3152 8.2850 128.2721 59.4196 39.1478 174.3755 76 N 4.5124 8.7887 126.2539 53.2515 39.0195 176.3746 77 S 3.8675 8.5507 118.6913 57.6506 60.8063 172.0716 78 L 4.0075 8.1773 122.4125 55.9312 41.3445 177.2179 79 Q 4.9245 8.6240 118.0964 53.0622 32.2162 174.9361 80 P 4.5958 0.0000 0.0000 66.1865 31.2667 178.3117 81 E 4.3341 8.1410 112.1618 57.6379 29.7734 177.0419 82 D 4.7433 8.2273 119.9243 56.1938 41.4163 177.1541 83 F 4.4277 7.5718 118.0919 56.5635 39.7081 176.2144 84 G 3.8379 7.5694 111.3007 45.6493 0.0000 171.5291 85 S 5.4148 8.1412 116.4908 57.4313 65.7782 173.2354 86 Y 5.3405 8.6199 118.7346 56.7112 42.1033 174.2054 87 Y 5.6253 9.5330 120.0608 56.6317 42.6616 172.0940 88 C 4.8694 8.9986 117.9544 54.1881 42.3682 172.3591 89 Q 4.8495 8.6386 120.9527 54.9274 32.2764 173.2900 90 H 5.3251 8.1872 121.2617 54.0215 30.8722 174.3579 91 F 4.6873 9.1670 117.5636 57.2959 40.4519 175.1379 92 F 4.2595 8.9481 122.2500 57.4052 39.3208 175.7156 93 S 3.3056 7.8727 125.9616 58.5473 61.7482 170.8451 94 T 4.6471 7.9012 106.2476 59.2780 71.6934 171.8444 95 P 4.4299 0.0000 0.0000 62.4986 32.1930 176.2216 96 R 4.2239 7.9285 119.1250 55.6617 31.7281 175.7625 97 T 4.6880 7.5894 109.5743 60.4389 72.6418 172.4309 98 F 5.1578 8.7679 120.3839 55.5596 42.1351 175.8172 99 G 3.9905 9.2638 110.7777 44.8255 0.0000 175.1228 100 G 3.6776 8.5726 107.6821 46.4597 0.0000 175.1402 101 G 4.2465 8.7261 104.2257 45.7827 0.0000 173.1480 102 T 4.7769 7.6708 115.2497 61.5733 73.0679 172.7551 103 K 4.6756 8.9426 128.3785 55.1010 33.7246 174.8855 104 L 4.9488 9.1525 131.6196 54.1837 43.3358 175.1376 105 E 5.0711 9.6274 125.9732 54.2024 33.4206 175.5900 106 I 3.6697 7.7182 123.1669 60.9814 37.9094 176.0559 107 K 4.4462 8.4072 126.9116 56.0751 31.6707 176.4454 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 D 8.36 4.61 0.00 2.70 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 2 I 8.16 4.03 1.72 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 1.23 0.64 0.78 0.00 0.00 3 V 9.92 4.43 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 1.07 0.00 0.00 0.95 0.00 0.00 4 L 8.49 5.13 0.00 1.74 1.57 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 5 T 9.17 4.51 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 1.25 0.00 0.00 6 Q 8.76 5.31 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.73 0.00 0.00 0.00 0.00 0.00 2.41 2.74 0.00 7 S 8.97 4.94 0.00 3.93 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 8 P 0.00 4.92 0.00 2.37 2.12 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 9 A 8.42 4.29 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 10 S 7.87 5.24 0.00 3.73 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 11 L 9.08 4.73 0.00 1.69 1.52 0.85 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.79 5.20 0.00 3.88 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 13 A 9.17 4.93 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 14 S 8.73 5.24 0.00 3.87 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 15 V 8.56 3.84 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 1.16 0.00 0.00 16 G 9.18 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 17 E 8.15 4.38 0.00 2.11 1.84 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 2.30 2.28 0.00 18 T 8.25 4.64 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 1.23 0.00 0.00 19 V 8.30 4.54 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 0.67 0.00 0.00 0.69 0.00 0.00 20 T 8.18 4.97 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 1.15 0.00 0.00 21 I 8.70 4.83 1.59 0.00 0.00 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 1.21 0.56 1.20 0.00 0.00 22 T 9.01 5.32 4.35 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 1.26 0.00 0.00 23 C 9.73 5.46 0.00 2.87 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 24 R 9.18 5.31 0.00 1.78 1.88 0.00 3.12 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 25 A 9.07 5.24 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 26 S 9.12 3.99 0.00 3.87 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 27 G 7.57 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 0.00 0.00 0.00 28 N 8.67 4.30 0.00 2.56 2.51 0.00 0.00 6.88 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 29 I 8.34 4.03 1.96 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.52 0.89 0.00 0.00 30 H 9.30 4.01 0.00 3.36 3.48 0.00 5.70 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 N 8.38 4.73 0.00 2.52 1.58 0.00 0.00 6.94 7.20 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 32 Y 7.99 4.73 0.00 3.45 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 33 L 7.51 5.15 0.00 0.84 0.85 0.51 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 34 A 9.18 5.29 1.24 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 35 W 8.99 5.46 0.00 3.22 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 36 Y 9.68 5.36 0.00 3.20 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 37 Q 9.17 4.71 0.00 1.80 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.76 0.00 0.00 0.00 0.00 0.00 1.96 1.42 0.00 38 Q 9.11 4.77 0.00 2.17 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 39 K 8.61 4.73 0.00 1.74 1.73 0.00 1.89 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.49 1.40 7.81 40 Q 8.62 4.04 0.00 2.04 2.06 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 2.36 2.40 0.00 41 G 9.07 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 42 K 7.70 4.69 0.00 1.90 1.70 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.52 7.81 43 S 8.27 4.56 0.00 3.75 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 P 0.00 4.70 0.00 1.78 1.95 0.00 3.52 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.97 0.00 45 Q 9.22 4.77 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.00 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 46 L 8.94 4.23 0.00 1.83 1.67 0.83 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 47 L 9.08 4.57 0.00 1.76 1.51 0.86 0.30 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 48 V 7.63 5.06 2.37 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 1.28 0.00 0.00 0.91 0.00 0.00 49 Y 8.44 5.06 0.00 2.97 2.93 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 50 Y 9.52 4.04 0.00 3.13 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 51 T 8.51 3.90 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 1.41 0.00 0.00 52 T 7.51 4.63 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 1.24 0.00 0.00 53 T 7.44 4.10 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 0.93 0.00 0.00 54 L 8.37 4.58 0.00 1.49 1.58 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 55 A 9.12 4.50 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 56 D 8.61 4.49 0.00 2.71 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 57 G 9.01 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 58 V 7.37 3.84 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 0.58 0.00 0.00 0.93 0.00 0.00 59 P 0.00 4.44 0.00 2.39 2.27 0.00 3.80 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.21 0.00 60 S 8.72 4.36 0.00 4.01 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 61 R 7.98 4.00 0.00 1.93 2.12 0.00 2.84 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.11 0.00 62 F 8.16 5.06 0.00 3.06 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 63 S 9.07 4.62 0.00 3.82 3.87 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 64 G 8.99 4.75 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 0.00 65 S 9.67 4.81 0.00 3.83 3.92 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 66 G 8.21 4.20 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 0.00 0.00 0.00 67 S 7.74 4.41 0.00 3.88 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 68 G 8.47 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 69 T 8.81 4.62 4.39 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 1.23 0.00 0.00 70 Q 7.65 4.91 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.71 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 71 Y 9.17 5.37 0.00 3.18 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 72 S 9.25 5.33 0.00 3.94 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 73 L 8.37 4.53 0.00 0.27 0.29 0.54 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.86 4.77 0.00 1.68 1.47 0.00 1.55 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.16 1.33 7.81 75 I 8.29 4.32 1.48 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.09 0.13 0.00 0.00 76 N 8.79 4.51 0.00 2.51 2.64 0.00 0.00 7.23 7.61 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 77 S 8.55 3.87 0.00 3.88 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 78 L 8.18 4.01 0.00 1.59 1.49 0.47 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 8.62 4.92 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.70 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 80 P 0.00 4.60 0.00 2.26 2.27 0.00 3.63 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 2.19 2.24 0.00 81 E 8.14 4.33 0.00 2.14 2.13 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 2.36 2.35 0.00 82 D 8.23 4.74 0.00 2.40 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 F 7.57 4.43 0.00 3.14 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 84 G 7.57 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 85 S 8.14 5.41 0.00 3.79 3.54 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 0.00 0.00 0.00 0.00 86 Y 8.62 5.34 0.00 2.99 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 87 Y 9.53 5.63 0.00 3.25 3.07 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 88 C 9.00 4.87 0.00 1.80 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 89 Q 8.64 4.85 0.00 1.71 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.79 0.00 0.00 0.00 0.00 0.00 1.43 1.16 0.00 90 H 8.19 5.33 0.00 3.25 3.16 0.00 5.55 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 F 9.17 4.69 0.00 3.02 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 92 F 8.95 4.26 0.00 3.29 3.15 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 0.00 93 S 7.87 3.31 0.00 3.46 3.59 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 0.00 0.00 0.00 0.00 94 T 7.90 4.65 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 1.13 0.00 0.00 95 P 0.00 4.43 0.00 2.03 1.97 0.00 3.66 0.00 0.00 3.64 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 96 R 7.93 4.22 0.00 1.29 1.20 0.00 3.10 0.00 0.00 3.06 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.26 0.00 97 T 7.59 4.69 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 1.26 0.00 0.00 98 F 8.77 5.16 0.00 2.86 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 99 G 9.26 3.99 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 0.00 0.00 0.00 100 G 8.57 3.68 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 0.00 0.00 0.00 101 G 8.73 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 0.00 0.00 0.00 0.00 102 T 7.67 4.78 4.34 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 1.31 0.00 0.00 103 K 8.94 4.68 0.00 1.88 1.74 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.42 7.81 104 L 9.15 4.95 0.00 1.89 1.98 0.97 0.57 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 0.00 105 E 9.63 5.07 0.00 1.91 1.77 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 2.25 2.31 0.00 106 I 7.72 3.67 1.51 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.67 0.00 0.00 107 K 8.41 4.45 0.00 1.81 1.69 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.24 7.81