NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 I 4.0930 8.0244 114.2713 60.5853 38.9164 174.1951 11 L 4.2976 8.2792 124.5608 52.5674 43.3223 170.4595 12 V 4.1542 8.9748 127.1983 62.1742 33.3136 175.0653 13 I 3.9728 8.6702 129.2625 64.1133 37.8097 176.4108 14 R 4.3540 7.2963 118.7252 55.1645 33.2069 173.6940 15 K 5.2453 7.4966 123.0911 53.3632 35.8888 175.6400 16 G 3.7701 6.9417 109.5008 45.8734 0.0000 171.5128 17 W 5.6847 9.1837 119.6605 55.8566 30.7671 176.5664 18 L 4.7228 9.2183 122.5459 53.6472 46.1336 175.1487 19 T 4.8518 8.5705 120.2883 63.0403 70.0688 173.9763 20 I 4.2910 8.5810 128.1252 60.7160 37.0562 175.4287 21 N 4.5807 8.9147 127.6045 54.8551 39.4595 175.5157 22 N 4.9144 8.1347 113.0166 52.4291 38.0058 175.1391 23 I 4.5065 7.1190 119.9978 58.3188 37.2396 174.2692 24 G 4.7053 7.3303 108.2434 45.8166 0.0000 171.0642 25 I 4.0350 7.3864 121.4593 61.8006 41.8243 175.2691 26 M 4.4481 8.9161 117.5986 56.2939 33.7617 176.6214 27 K 3.8097 8.5082 119.3469 57.6726 30.6580 178.4779 28 G 3.9898 9.2214 117.8958 44.4651 0.0000 174.2323 29 G 3.9327 8.5016 114.5265 45.1872 0.0000 172.6015 30 S 4.0596 8.6179 116.4520 59.2878 62.9024 174.1519 31 K 4.6045 8.5616 123.7909 54.4049 35.9444 174.3878 32 E 5.1433 8.3613 121.6656 54.9451 31.5532 174.3250 33 Y 5.1882 9.3081 123.1858 56.0454 42.9176 174.0834 34 W 4.6438 8.7301 130.2629 56.1891 32.0682 174.7962 35 F 5.2453 8.9795 127.0897 56.0559 41.1459 175.3754 36 V 4.7186 9.0970 122.4367 61.2245 34.2621 173.7004 37 L 5.3491 9.2620 131.4701 53.8327 43.9565 175.3369 38 T 5.0606 8.8805 115.5290 59.5443 72.2535 174.4667 39 A 4.0212 8.8214 123.0040 54.1498 18.5785 177.9142 40 E 4.6539 7.7592 113.8537 56.4120 31.9082 175.1080 41 N 5.4151 8.1029 114.8797 51.9660 44.2108 173.4133 42 L 5.2809 9.4512 122.2118 53.9534 44.8971 175.4387 43 S 5.4147 9.2074 122.6530 56.5014 66.5465 173.3665 44 W 5.4069 8.2065 117.7926 55.0892 31.8465 173.5479 45 Y 4.8793 9.1655 118.6292 55.9060 41.4313 176.5272 46 K 4.5236 9.2584 122.1194 59.6140 33.0203 176.0626 47 D 4.9281 7.9671 117.4905 51.8594 42.2831 175.0194 48 D 3.3700 8.0398 117.1998 54.1557 39.0495 176.9783 49 E 3.8806 7.4962 118.6298 57.0011 30.0253 176.1720 50 E 3.4439 7.4422 117.6433 57.1364 27.5645 175.5769 51 K 4.1832 8.1084 117.4992 57.3177 33.6082 176.8597 52 E 4.4970 8.1344 120.2548 54.0920 30.4747 174.0568 53 K 4.0711 8.4582 128.0813 55.1278 33.1867 176.2194 54 K 4.0809 7.9132 126.0354 58.8578 33.0449 176.3726 55 Y 3.8442 5.9858 117.2911 56.7565 42.0229 172.8003 56 M 4.6799 6.7774 122.4940 53.6660 34.7573 173.7495 57 L 4.7747 9.2262 129.5367 53.3613 44.3105 175.7917 58 S 4.8593 8.6504 120.5703 58.0584 63.4102 174.0416 59 V 3.8594 8.1959 124.9887 63.6795 31.6012 175.4895 60 D 4.5517 7.7000 119.5624 56.5234 40.8184 175.8246 61 N 4.3337 8.9332 120.1587 53.9459 35.9816 173.1953 62 L 5.3606 7.3987 117.5483 53.4874 42.8969 176.2244 63 K 4.5464 7.6044 120.8750 54.2217 36.8028 174.2619 64 L 5.3727 8.4690 122.1444 53.5121 45.4777 175.3232 65 R 5.0561 9.3714 121.0222 54.7300 33.4213 173.7859 66 D 5.0500 8.7824 121.8811 54.1302 41.2981 176.5892 67 V 3.9544 8.1025 124.4457 61.1839 32.7281 175.6929 68 E 4.3411 8.4056 121.2948 56.5263 27.8508 178.3446 69 K 3.8764 8.0569 119.3725 58.8619 33.0329 179.9902 70 G 3.9009 7.6918 108.6788 48.3355 0.0000 174.4107 71 F 4.2566 7.7779 115.0872 56.8480 37.9851 175.6169 72 M 4.2245 8.5758 127.1561 55.5305 29.6589 174.8737 73 S 4.7421 7.1576 115.1349 56.1561 66.6038 174.0327 74 S 4.2387 8.6482 118.7539 61.1195 62.8526 175.7042 75 K 4.0704 7.9687 117.9569 57.6842 32.5796 175.9931 76 H 4.8324 9.5515 121.9774 54.1066 31.1187 173.4516 77 I 5.1904 8.4658 123.7691 59.4609 40.8028 174.4611 78 F 5.5200 8.4076 118.8783 55.4749 42.1764 173.0957 79 A 4.9253 9.3595 119.0481 50.7533 22.8713 175.3469 80 L 5.0992 8.4549 121.2587 53.3734 44.2757 175.7283 81 F 5.2682 8.3257 116.0430 55.6344 42.1012 172.4761 82 N 5.3675 8.8775 118.7335 52.3872 39.6820 175.8279 83 T 4.2163 9.0793 117.6488 63.8696 69.2586 175.0834 84 E 4.6454 8.7436 120.9251 55.9293 29.7535 175.3456 85 Q 4.6689 7.5815 116.5059 54.8165 33.0875 174.7968 86 R 4.1380 8.6134 120.2038 57.9662 30.6453 175.8575 87 N 5.2314 7.8722 114.3415 51.3337 41.4651 174.4518 88 V 3.9775 8.8524 123.6043 65.6257 32.1832 175.9578 89 Y 4.9346 8.1231 114.8335 57.0241 41.2298 174.0175 90 K 3.5787 8.3805 122.0147 58.2374 30.8496 175.9321 91 D 4.7779 8.2102 123.8010 54.0432 39.6689 175.0123 92 Y 4.4939 7.6589 117.7793 57.2996 39.5541 177.2725 93 R 4.2580 9.0578 123.6366 58.3609 30.4865 176.5875 94 Q 4.8335 7.7411 112.3486 54.4119 32.5038 174.3640 95 L 4.4828 8.5605 122.6234 53.5685 43.4559 174.9332 96 E 4.5492 9.2006 127.6715 55.7010 31.1997 175.8985 97 L 4.7658 8.0544 123.8588 52.6866 44.7124 175.3849 98 A 5.1378 9.0298 126.3311 50.6382 21.7920 175.2399 99 C 5.2255 9.2580 117.3516 57.9679 32.5311 175.2597 100 E 4.2997 9.0865 119.3504 58.7693 29.6729 177.7182 101 T 4.7002 7.4651 107.6384 59.0633 73.4900 174.4027 102 Q 3.8868 8.1942 121.2865 58.8985 29.0431 177.6421 103 E 3.9057 8.0931 119.4179 59.5065 29.5336 178.7311 104 E 4.0418 8.2390 119.1190 59.3008 29.6663 179.0476 105 V 3.5478 7.6907 117.8153 66.1200 31.5429 177.7877 106 D 4.3368 8.6918 119.0032 57.1746 40.4768 178.5164 107 S 4.0008 8.4625 114.0909 61.4547 62.4179 176.4864 108 W 3.8258 8.3275 121.4979 59.3569 28.5613 178.5815 109 K 3.9968 8.4458 118.8081 59.6113 31.3105 179.0336 110 A 4.0113 7.9749 119.7127 55.4123 18.4306 179.5811 111 S 4.0265 7.6309 113.5220 61.6272 62.7004 176.9030 112 F 4.2493 8.2023 120.5201 60.4667 38.5807 177.5326 113 L 4.1439 7.7529 120.0181 57.3171 41.2413 179.6090 114 R 4.0917 7.7773 116.0111 57.9319 30.0734 177.6845 115 A 4.5440 8.0830 119.4043 51.5445 19.5737 177.6068 116 G 3.3703 7.6712 105.7143 43.7607 0.0000 173.5656 117 V 3.9830 7.1214 120.0899 61.5690 32.7336 174.3236 118 Y 5.0034 7.8747 125.5598 55.4292 40.7143 173.8103 119 P 4.6576 0.0000 0.0000 62.6256 32.4728 175.5750 120 E 3.7263 8.7508 121.9931 57.2127 29.3040 176.7759 121 R 3.8739 9.3199 126.1889 58.9148 30.8120 176.6437 122 V 4.0074 7.5806 121.9406 63.0667 31.7179 175.6013 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 10 I 8.02 4.09 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.13 0.92 0.00 0.00 11 L 8.28 4.30 0.00 1.69 1.59 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.97 4.15 2.07 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 0.89 0.00 0.00 0.94 0.00 0.00 13 I 8.67 3.97 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.61 0.78 0.00 0.00 14 R 7.30 4.35 0.00 1.33 1.03 0.00 2.21 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 1.05 0.00 15 K 7.50 5.25 0.00 1.55 1.16 0.00 2.14 0.00 0.00 2.61 0.00 0.00 2.80 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.27 1.24 7.81 16 G 6.94 3.77 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 0.00 17 W 9.18 5.68 0.00 3.39 3.32 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 18 L 9.22 4.72 0.00 1.08 1.00 -0.83 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.57 4.85 4.36 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 1.27 0.00 0.00 20 I 8.58 4.29 2.05 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.62 0.80 0.00 0.00 21 N 8.91 4.58 0.00 2.66 2.88 0.00 0.00 7.13 7.40 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 22 N 8.13 4.91 0.00 2.89 3.02 0.00 0.00 5.81 7.81 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 23 I 7.12 4.51 1.76 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 0.40 -0.36 0.87 0.00 0.00 24 G 7.33 4.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 I 7.39 4.04 1.90 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 1.42 1.09 0.98 0.00 0.00 26 M 8.92 4.45 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.62 0.00 27 K 8.51 3.81 0.00 1.79 1.61 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.45 7.81 28 G 9.22 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 29 G 8.50 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 30 S 8.62 4.06 0.00 3.88 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 31 K 8.56 4.60 0.00 1.29 1.24 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.35 1.70 7.81 32 E 8.36 5.14 0.00 1.95 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 2.68 2.57 0.00 33 Y 9.31 5.19 0.00 2.81 3.04 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 34 W 8.73 4.64 0.00 2.32 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 35 F 8.98 5.25 0.00 2.94 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 36 V 9.10 4.72 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 1.01 0.00 0.00 1.01 0.00 0.00 37 L 9.26 5.35 0.00 1.92 1.60 1.14 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 38 T 8.88 5.06 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 1.24 0.00 0.00 39 A 8.82 4.02 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 40 E 7.76 4.65 0.00 1.95 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 2.22 2.24 0.00 41 N 8.10 5.42 0.00 2.65 2.67 0.00 0.00 6.20 6.86 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 42 L 9.45 5.28 0.00 1.94 1.76 1.25 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 43 S 9.21 5.41 0.00 3.87 3.50 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 0.00 44 W 8.21 5.41 0.00 2.42 1.74 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 45 Y 9.17 4.88 0.00 3.15 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 46 K 9.26 4.52 0.00 1.92 2.00 0.00 1.83 0.00 0.00 1.86 0.00 0.00 3.09 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.57 1.59 7.81 47 D 7.97 4.93 0.00 3.03 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 48 D 8.04 3.37 0.00 1.58 1.54 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 49 E 7.50 3.88 0.00 2.23 1.97 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 2.26 2.38 0.00 50 E 7.44 3.44 0.00 1.74 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 1.47 1.88 0.00 51 K 8.11 4.18 0.00 1.77 1.88 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.34 7.81 52 E 8.13 4.50 0.00 2.02 1.90 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 2.37 2.30 0.00 53 K 8.46 4.07 0.00 1.59 1.47 0.00 1.66 0.00 0.00 1.50 0.00 0.00 2.67 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.82 0.23 7.81 54 K 7.91 4.08 0.00 0.93 1.59 0.00 1.84 0.00 0.00 1.84 0.00 0.00 3.20 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.55 7.81 55 Y 5.99 3.84 0.00 2.01 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 56 M 6.78 4.68 0.00 1.60 1.58 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 2.35 2.47 0.00 57 L 9.23 4.77 0.00 2.20 1.98 1.19 1.04 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 58 S 8.65 4.86 0.00 3.88 3.77 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 59 V 8.20 3.86 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 0.97 0.00 0.00 1.02 0.00 0.00 60 D 7.70 4.55 0.00 2.75 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 61 N 8.93 4.33 0.00 2.94 3.02 0.00 0.00 7.10 6.74 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 62 L 7.40 5.36 0.00 1.42 1.39 0.96 0.75 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 63 K 7.60 4.55 0.00 0.79 0.78 0.00 1.34 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.66 7.81 64 L 8.47 5.37 0.00 1.54 1.42 0.78 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 65 R 9.37 5.06 0.00 1.92 2.34 0.00 3.07 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.73 0.00 66 D 8.78 5.05 0.00 2.64 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.10 3.95 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 0.88 0.00 0.00 0.95 0.00 0.00 68 E 8.41 4.34 0.00 2.36 2.19 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 2.39 2.45 0.00 69 K 8.06 3.88 0.00 1.75 1.67 0.00 1.72 0.00 0.00 2.04 0.00 0.00 3.07 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.59 1.75 7.81 70 G 7.69 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 0.00 0.00 0.00 71 F 7.78 4.26 0.00 3.32 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 72 M 8.58 4.22 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.52 0.00 73 S 7.16 4.74 0.00 4.00 3.55 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 74 S 8.65 4.24 0.00 3.92 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 75 K 7.97 4.07 0.00 1.73 1.89 0.00 1.65 0.00 0.00 1.78 0.00 0.00 3.22 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.63 7.81 76 H 9.55 4.83 0.00 3.13 3.28 0.00 5.75 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 77 I 8.47 5.19 1.95 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 1.51 1.51 0.87 0.00 0.00 78 F 8.41 5.52 0.00 3.02 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 79 A 9.36 4.93 1.22 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 0.00 0.00 0.00 0.00 0.00 80 L 8.45 5.10 0.00 1.50 1.39 0.67 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 81 F 8.33 5.27 0.00 3.07 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 82 N 8.88 5.37 0.00 2.88 2.83 0.00 0.00 6.65 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 83 T 9.08 4.22 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 1.37 0.00 0.00 84 E 8.74 4.65 0.00 2.07 2.03 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 2.35 2.50 0.00 85 Q 7.58 4.67 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.03 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 86 R 8.61 4.14 0.00 1.85 1.92 0.00 3.10 0.00 0.00 3.31 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 87 N 7.87 5.23 0.00 2.73 2.76 0.00 0.00 6.88 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 88 V 8.85 3.98 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 0.90 0.00 0.00 1.22 0.00 0.00 89 Y 8.12 4.93 0.00 3.19 3.03 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 90 K 8.38 3.58 0.00 1.76 1.09 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.99 0.96 7.81 91 D 8.21 4.78 0.00 2.50 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 Y 7.66 4.49 0.00 3.05 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 93 R 9.06 4.26 0.00 1.82 1.99 0.00 3.34 0.00 0.00 2.25 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.50 0.00 94 Q 7.74 4.83 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.91 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 95 L 8.56 4.48 0.00 1.72 1.41 0.37 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 96 E 9.20 4.55 0.00 1.99 1.74 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 2.26 2.24 0.00 97 L 8.05 4.77 0.00 0.27 0.63 0.24 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 98 A 9.03 5.14 1.22 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 0.00 0.00 0.00 0.00 0.00 99 C 9.26 5.23 0.00 2.93 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 0.00 100 E 9.09 4.30 0.00 2.06 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 0.00 2.38 2.29 0.00 101 T 7.47 4.70 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 1.23 0.00 0.00 102 Q 8.19 3.89 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.64 0.00 103 E 8.09 3.91 0.00 2.02 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 2.31 0.00 104 E 8.24 4.04 0.00 2.14 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 0.00 2.59 2.52 0.00 105 V 7.69 3.55 2.25 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 0.89 0.00 0.00 1.17 0.00 0.00 106 D 8.69 4.34 0.00 2.79 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 0.00 107 S 8.46 4.00 0.00 3.92 4.08 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 0.00 108 W 8.33 3.83 0.00 3.28 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 0.00 109 K 8.45 4.00 0.00 1.92 1.87 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.28 1.41 7.81 110 A 7.97 4.01 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 0.00 111 S 7.63 4.03 0.00 3.44 3.43 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 0.00 112 F 8.20 4.25 0.00 3.29 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 0.00 113 L 7.75 4.14 0.00 1.95 1.86 1.10 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 114 R 7.78 4.09 0.00 1.90 1.95 0.00 3.09 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 115 A 8.08 4.54 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.67 3.37 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 0.00 117 V 7.12 3.98 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 0.75 0.00 0.00 0.91 0.00 0.00 118 Y 7.87 5.00 0.00 2.96 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 0.00 119 P 0.00 4.66 0.00 2.00 2.07 0.00 3.89 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 120 E 8.75 3.73 0.00 2.30 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 2.60 2.65 0.00 121 R 9.32 3.87 0.00 1.95 2.00 0.00 3.41 0.00 0.00 3.20 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 122 V 7.58 4.01 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 0.81 0.00 0.00 0.97 0.00 0.00