NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1398 8.1727 122.0528 56.3256 34.0925 174.1580 2 V 4.6266 8.1717 127.2577 60.5857 32.0752 174.3606 3 F 4.4887 8.9715 127.3578 57.4003 40.2764 174.3781 4 E 4.3808 9.1084 119.6449 55.6490 31.4267 177.0915 5 R 3.2794 8.6157 120.4058 60.0368 30.8719 179.0287 6 C 4.3997 8.2187 116.2931 59.4708 34.9150 175.7668 7 E 3.8844 8.2769 121.6015 59.0669 29.2429 178.5800 8 L 3.4778 7.7076 119.7410 57.6792 42.1692 178.3238 9 A 3.9287 7.7969 120.7560 55.5079 18.3549 179.8958 10 R 3.8912 7.9685 116.3200 59.5889 30.2024 179.6068 11 T 3.8301 7.6727 115.3463 66.5923 68.6299 176.7915 12 L 3.8677 8.1770 121.2949 57.5679 41.5889 179.5157 13 K 3.9344 8.0171 119.7202 59.5522 32.0146 179.0426 14 R 4.0540 7.7521 114.2760 58.3569 29.3884 177.5621 15 L 4.4428 7.3645 118.2514 53.8373 41.8654 176.3661 16 G 3.8739 7.9504 106.6363 47.1990 0.0000 175.1884 17 M 4.0258 7.7358 120.2102 55.9702 32.6961 175.9427 18 D 4.6223 8.0760 118.2733 55.7487 41.1398 175.8241 19 G 3.9150 9.5138 116.0624 45.3414 0.0000 171.2855 20 Y 4.0232 8.1862 121.3328 58.3902 38.6006 175.8997 21 R 3.3174 8.9192 128.6041 57.4076 28.2990 176.9273 22 G 3.8693 8.1403 103.4908 45.0480 0.0000 174.0829 23 I 4.0141 7.4170 122.2228 59.5076 38.0908 175.9554 24 S 4.6675 8.2894 120.1018 57.6134 64.1057 174.9298 25 L 4.2696 9.0004 123.2698 58.5035 41.7919 179.2938 26 A 4.1924 8.1647 120.1780 55.1864 18.2916 179.1754 27 N 4.5141 8.1615 115.1976 56.1546 38.6950 177.7399 28 W 4.2248 8.0477 119.9979 59.9217 29.2013 178.3676 29 M 4.2361 8.5190 118.8866 58.5210 31.4873 177.9322 30 C 3.1465 8.0827 118.6005 59.1065 44.5423 175.2817 31 L 3.9912 8.0300 121.6741 58.3123 41.7202 178.8070 32 A 4.3893 8.2637 121.9753 54.4364 18.3766 179.4586 33 K 3.2286 8.3177 118.1034 59.5291 32.1148 179.1955 34 W 4.1686 7.8367 117.2474 59.3102 29.0444 178.2437 35 E 4.3667 8.4599 118.7457 58.7841 29.1955 177.8206 36 S 4.5499 8.2907 109.0497 56.9691 65.7446 175.0059 37 G 3.3821 8.2474 108.9350 46.7357 0.0000 173.6426 38 Y 3.8630 8.0124 114.1251 58.2886 34.9235 167.9124 39 N 5.3044 7.7690 120.0407 52.1822 39.5522 175.9476 40 T 4.2385 9.1104 117.3999 63.9030 69.1464 175.8440 41 R 4.4168 8.3717 120.3227 55.8579 30.5288 176.1428 42 A 4.4437 7.7758 121.8885 52.5126 19.3839 177.3668 43 T 5.5363 8.2132 109.5775 60.4014 72.4636 173.0087 44 N 4.8281 8.3127 121.0427 52.9241 42.3905 172.3888 45 Y 4.8312 8.8081 127.8021 56.9118 41.1725 173.7681 46 N 4.7182 8.4516 123.6976 51.1927 40.0523 175.2451 47 A 3.8279 8.5540 128.1730 54.9803 18.8657 178.6562 48 G 3.8701 8.1382 104.0413 48.6135 0.0000 173.9277 49 D 4.6924 7.8789 117.6364 51.6962 39.7057 176.6111 50 R 4.1381 7.7641 115.4393 56.5814 28.2943 175.9687 51 S 4.9114 7.2061 112.0262 57.2084 66.3245 172.7211 52 T 5.0951 8.7277 115.5693 61.9977 72.5689 172.8904 53 D 5.5215 9.1961 125.0942 53.2168 43.2710 175.1805 54 Y 4.9379 9.0849 120.0886 57.4770 42.0702 176.9669 55 G 4.3544 9.2661 110.4607 45.5228 0.0000 174.0806 56 F 4.9197 8.7497 111.4170 58.7276 38.0433 176.6480 57 F 4.5931 7.3929 117.4768 56.7666 39.8327 175.1507 58 Q 3.6170 7.5239 119.3224 57.0553 26.3027 173.7630 59 I 4.3396 8.2932 119.2022 60.6993 39.1203 176.8834 60 N 5.3759 9.4078 126.6520 53.1032 39.6075 175.7841 61 S 4.6393 9.0606 120.5561 60.4275 63.4921 175.5287 62 R 3.7859 8.9294 122.3999 58.6791 30.4195 177.7879 63 Y 4.2362 7.8598 114.8010 57.7485 40.6202 176.9584 64 W 4.8733 8.0604 118.9993 57.6362 30.8716 174.0695 65 C 5.6064 8.1613 112.1741 53.5956 41.4770 172.3669 66 N 5.3179 8.9157 118.7843 52.0110 40.0567 174.6518 67 D 4.6686 8.8794 124.2464 52.4000 40.3275 176.9214 68 G 4.0119 8.6119 107.7206 46.1585 0.0000 174.3039 69 K 4.6986 8.5258 117.7275 56.6173 33.1457 176.0697 70 T 4.5972 7.9120 115.5941 61.7863 71.0595 172.4157 71 P 4.2351 0.0000 0.0000 63.7962 31.8694 176.2903 72 G 3.8931 8.6440 110.1755 46.2852 0.0000 173.4424 73 A 4.2204 7.8255 120.3213 51.3567 19.3660 177.8841 74 V 4.3644 8.0806 120.1084 61.0895 35.0802 175.3486 75 N 4.9264 8.1251 120.3999 51.7494 38.5701 174.8365 76 A 3.9605 8.0625 123.7170 55.4664 19.0668 178.5731 77 C 4.4864 8.3786 111.0136 57.4426 41.2446 173.1013 78 H 4.0726 8.1028 117.0182 55.7259 26.2159 174.0781 79 L 4.5820 8.2466 118.0798 54.2300 44.0820 175.5808 80 S 4.5657 8.4410 115.1477 58.2906 63.1600 175.9935 81 C 4.1828 9.0797 124.9292 59.6863 34.9190 176.6375 82 S 3.8501 7.9143 115.4220 61.1629 62.3113 176.1166 83 A 4.1449 7.7237 123.3942 54.1044 18.2752 177.8472 84 L 4.5454 7.8783 116.7527 54.8444 41.8455 177.4755 85 L 5.5618 7.7512 116.4826 53.8499 42.2326 176.4733 86 Q 4.5528 7.7800 117.6111 54.6824 30.0814 175.7846 87 D 4.3777 8.5535 119.7264 56.9427 41.0984 176.4556 88 N 4.6365 8.0216 118.0650 52.7625 39.0235 174.7730 89 I 4.2371 8.3816 119.0925 61.1449 38.2169 176.8565 90 A 3.9539 8.0698 124.2628 56.1256 18.1332 179.8257 91 D 4.3558 8.1057 116.2781 57.2266 40.9540 178.7311 92 A 4.0742 8.0002 121.0896 55.0601 18.5308 179.6942 93 V 3.4679 8.1199 116.7387 66.0168 31.4601 178.1471 94 A 3.8713 7.8174 120.1567 55.3272 18.3151 178.8018 95 C 4.2475 8.2873 116.5705 59.3130 41.6550 175.6277 96 A 3.8938 8.0102 122.8874 54.8583 17.6699 179.6935 97 K 3.8650 7.6484 116.3054 59.4448 32.3722 179.2653 98 R 4.0800 7.7035 119.2391 59.2247 29.8679 178.6138 99 V 2.3994 7.2605 117.8799 65.6886 31.4734 177.8911 100 V 3.8822 7.7418 109.8974 62.5448 31.3542 177.9120 101 R 4.2711 7.6589 117.4756 57.0588 30.5954 176.5293 102 D 4.6805 7.2527 119.5552 52.7806 41.7034 175.2346 103 P 4.1841 0.0000 0.0000 66.2956 30.7632 177.5977 104 Q 3.9575 8.1121 119.0955 56.4407 30.1044 176.7034 105 G 4.0056 8.0684 106.9707 46.7166 0.0000 174.8206 106 I 3.7867 7.7045 119.2736 62.8378 38.0545 178.0428 107 R 4.4096 7.3066 117.5163 57.9913 29.9529 177.4708 108 A 4.1601 7.4617 120.8480 53.7071 18.5618 178.3988 109 W 4.7070 8.1200 116.8480 55.6290 30.1157 177.4940 110 V 3.6825 8.6428 124.0940 66.0225 31.0565 177.5522 111 A 3.9660 8.2605 120.0749 54.9287 18.2012 179.2456 112 W 3.9329 8.2849 126.2406 60.7185 30.6715 178.2908 113 R 3.6229 7.7369 116.8420 59.3097 29.5783 178.5554 114 N 4.3701 8.1532 115.3562 55.1486 38.6768 176.6885 115 R 4.1024 7.7828 116.4630 55.6670 31.7965 175.6189 116 C 4.5105 7.8888 115.0490 57.9682 42.6851 174.3049 117 Q 3.2010 6.4323 118.7402 57.5557 28.4635 176.0266 118 N 4.2862 8.7915 120.3615 53.7666 36.0649 173.7477 119 R 4.5794 7.3845 116.5852 53.8267 32.9796 175.0953 120 D 4.5203 8.5067 119.3250 54.5370 41.5199 176.1725 121 V 4.7219 8.3429 118.3477 61.1744 32.8291 177.7636 122 R 4.0927 8.2566 122.3932 59.1455 29.4074 178.7295 123 Q 3.9591 8.0897 117.3106 59.6287 28.1035 178.3265 124 Y 4.4361 7.5342 116.9768 59.9963 38.2410 177.1704 125 V 4.4904 7.8932 110.3301 60.4382 33.6662 175.4245 126 Q 4.2421 7.6455 119.3334 57.2435 28.8017 176.8456 127 G 4.0140 9.0296 111.4224 45.5915 0.0000 174.7190 128 C 4.3897 7.9504 115.6984 57.0557 40.6852 173.6321 129 G 3.8497 8.0041 107.1279 46.9609 0.0000 174.0600 130 V 4.0012 7.8854 117.1165 61.1105 31.9687 176.1828 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 4.14 0.00 1.89 1.64 0.00 1.21 0.00 0.00 0.85 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.87 1.11 7.81 2 V 8.17 4.63 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 0.96 0.00 0.00 3 F 8.97 4.49 0.00 2.68 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 4 E 9.11 4.38 0.00 2.13 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 0.00 2.22 2.29 0.00 5 R 8.62 3.28 0.00 2.07 1.92 0.00 3.44 0.00 0.00 3.50 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.91 0.00 6 C 8.22 4.40 0.00 3.19 3.12 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 7 E 8.28 3.88 0.00 2.06 2.23 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 2.53 2.34 0.00 8 L 7.71 3.48 0.00 1.23 1.29 -0.37 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.80 3.93 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 10 R 7.97 3.89 0.00 1.87 1.98 0.00 3.13 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 1.92 0.00 11 T 7.67 3.83 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 1.16 0.00 0.00 12 L 8.18 3.87 0.00 1.58 1.63 1.01 0.52 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 13 K 8.02 3.93 0.00 1.85 2.05 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.47 7.81 14 R 7.75 4.05 0.00 2.02 2.04 0.00 3.10 0.00 0.00 3.21 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.64 0.00 15 L 7.36 4.44 0.00 1.69 1.63 0.85 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.95 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 0.00 0.00 0.00 17 M 7.74 4.03 0.00 1.42 2.04 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.35 0.00 18 D 8.08 4.62 0.00 2.70 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 19 G 9.51 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 0.00 0.00 0.00 20 Y 8.19 4.02 0.00 3.42 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 21 R 8.92 3.32 0.00 1.28 1.81 0.00 3.23 0.00 0.00 3.10 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.49 0.00 22 G 8.14 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 0.00 0.00 0.00 23 I 7.42 4.01 1.74 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.67 -0.22 0.00 0.00 24 S 8.29 4.67 0.00 4.07 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 9.00 4.27 0.00 2.15 1.83 1.02 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.16 4.19 1.55 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 0.00 0.00 27 N 8.16 4.51 0.00 2.87 2.68 0.00 0.00 6.91 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 28 W 8.05 4.22 0.00 3.64 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 29 M 8.52 4.24 0.00 2.20 2.41 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.99 0.00 30 C 8.08 3.15 0.00 2.76 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 31 L 8.03 3.99 0.00 1.78 1.86 0.31 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.26 4.39 1.70 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 0.00 0.00 33 K 8.32 3.23 0.00 1.90 1.79 0.00 0.83 0.00 0.00 1.25 0.00 0.00 2.82 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.46 0.82 7.81 34 W 7.84 4.17 0.00 3.38 3.31 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 35 E 8.46 4.37 0.00 2.18 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 0.00 2.64 2.49 0.00 36 S 8.29 4.55 0.00 4.20 4.12 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 37 G 8.25 3.38 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 0.00 38 Y 8.01 3.86 0.00 3.23 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 39 N 7.77 5.30 0.00 2.74 2.86 0.00 0.00 6.99 7.08 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 40 T 9.11 4.24 4.49 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 1.38 0.00 0.00 41 R 8.37 4.42 0.00 1.97 2.04 0.00 3.19 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 42 A 7.78 4.44 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 43 T 8.21 5.54 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 1.22 0.00 0.00 44 N 8.31 4.83 0.00 2.92 2.75 0.00 0.00 6.59 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 45 Y 8.81 4.83 0.00 3.09 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 8.45 4.72 0.00 2.56 2.56 0.00 0.00 6.76 8.56 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 47 A 8.55 3.83 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 48 G 8.14 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 0.00 0.00 0.00 49 D 7.88 4.69 0.00 2.76 2.83 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 50 R 7.76 4.14 0.00 2.00 2.11 0.00 3.13 0.00 0.00 3.18 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 51 S 7.21 4.91 0.00 3.80 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 52 T 8.73 5.10 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 0.67 0.00 0.00 53 D 9.20 5.52 0.00 2.74 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 9.08 4.94 0.00 2.99 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 55 G 9.27 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 0.00 0.00 0.00 0.00 56 F 8.75 4.92 0.00 3.16 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 57 F 7.39 4.59 0.00 2.72 2.85 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 58 Q 7.52 3.62 0.00 2.43 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.84 0.00 0.00 0.00 0.00 0.00 2.43 2.79 0.00 59 I 8.29 4.34 2.08 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.94 1.08 0.00 0.00 60 N 9.41 5.38 0.00 3.09 3.03 0.00 0.00 7.45 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 61 S 9.06 4.64 0.00 4.08 4.49 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 62 R 8.93 3.79 0.00 1.74 1.85 0.00 2.79 0.00 0.00 2.92 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.50 0.00 63 Y 7.86 4.24 0.00 1.85 1.60 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 64 W 8.06 4.87 0.00 3.52 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 65 C 8.16 5.61 0.00 3.06 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 66 N 8.92 5.32 0.00 2.84 2.69 0.00 0.00 7.14 8.01 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 67 D 8.88 4.67 0.00 2.87 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 68 G 8.61 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 69 K 8.53 4.70 0.00 1.86 1.85 0.00 1.59 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.57 1.49 7.81 70 T 7.91 4.60 4.24 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 1.21 0.00 0.00 71 P 0.00 4.24 0.00 2.00 1.97 0.00 3.81 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 2.03 2.09 0.00 72 G 8.64 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 0.00 0.00 0.00 73 A 7.83 4.22 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 74 V 8.08 4.36 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 0.72 0.00 0.00 0.80 0.00 0.00 75 N 8.13 4.93 0.00 2.68 2.62 0.00 0.00 6.85 8.49 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 76 A 8.06 3.96 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 77 C 8.38 4.49 0.00 3.37 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 78 H 8.10 4.07 0.00 3.26 3.37 0.00 5.87 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 79 L 8.25 4.58 0.00 1.84 1.74 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.44 4.57 0.00 3.86 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 81 C 9.08 4.18 0.00 2.22 1.47 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 0.00 0.00 0.00 0.00 82 S 7.91 3.85 0.00 4.04 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 83 A 7.72 4.14 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 84 L 7.88 4.55 0.00 1.90 1.81 1.02 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.75 5.56 0.00 1.85 1.74 1.13 1.20 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 86 Q 7.78 4.55 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.46 7.10 0.00 0.00 0.00 0.00 0.00 2.60 2.34 0.00 87 D 8.55 4.38 0.00 2.64 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 88 N 8.02 4.64 0.00 2.69 2.76 0.00 0.00 6.98 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 8.38 4.24 1.94 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.41 0.66 0.00 0.00 90 A 8.07 3.95 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 91 D 8.11 4.36 0.00 2.74 2.76 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 92 A 8.00 4.07 1.49 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 0.00 0.00 93 V 8.12 3.47 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 0.77 0.00 0.00 0.94 0.00 0.00 94 A 7.82 3.87 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 95 C 8.29 4.25 0.00 3.14 3.26 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 96 A 8.01 3.89 0.99 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 97 K 7.65 3.87 0.00 1.68 1.53 0.00 1.32 0.00 0.00 0.88 0.00 0.00 2.18 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.30 1.03 7.81 98 R 7.70 4.08 0.00 1.94 2.09 0.00 3.27 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.93 0.00 99 V 7.26 2.40 1.73 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 -0.28 0.00 0.00 -0.52 0.00 0.00 100 V 7.74 3.88 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 1.13 0.00 0.00 1.48 0.00 0.00 101 R 7.66 4.27 0.00 2.08 2.04 0.00 3.25 0.00 0.00 3.33 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.00 0.00 102 D 7.25 4.68 0.00 2.99 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 0.00 103 P 0.00 4.18 0.00 2.15 2.20 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 104 Q 8.11 3.96 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.83 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 105 G 8.07 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 0.00 106 I 7.70 3.79 1.04 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.93 -0.92 0.00 0.00 107 R 7.31 4.41 0.00 2.01 2.06 0.00 3.34 0.00 0.00 3.38 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.64 0.00 108 A 7.46 4.16 0.89 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 0.00 0.00 109 W 8.12 4.71 0.00 3.48 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 0.00 110 V 8.64 3.68 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 1.15 0.00 0.00 1.00 0.00 0.00 111 A 8.26 3.97 1.49 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 0.00 0.00 112 W 8.28 3.93 0.00 3.38 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 7.74 3.62 0.00 1.98 1.96 0.00 3.46 0.00 0.00 3.58 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.13 0.00 114 N 8.15 4.37 0.00 2.51 2.69 0.00 0.00 6.90 7.47 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 0.00 115 R 7.78 4.10 0.00 0.77 0.66 0.00 2.54 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.34 0.00 116 C 7.89 4.51 0.00 1.66 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 0.00 117 Q 6.43 3.20 0.00 0.93 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.38 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 118 N 8.79 4.29 0.00 2.80 2.87 0.00 0.00 6.96 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 7.38 4.58 0.00 1.84 1.79 0.00 3.19 0.00 0.00 3.06 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.45 0.00 120 D 8.51 4.52 0.00 2.64 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 0.00 121 V 8.34 4.72 2.46 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 1.12 0.00 0.00 1.07 0.00 0.00 122 R 8.26 4.09 0.00 2.08 2.01 0.00 3.17 0.00 0.00 3.55 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 123 Q 8.09 3.96 0.00 2.07 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.89 0.00 0.00 0.00 0.00 0.00 1.99 1.43 0.00 124 Y 7.53 4.44 0.00 3.23 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 0.00 125 V 7.89 4.49 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 1.00 0.00 0.00 1.09 0.00 0.00 126 Q 7.65 4.24 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.46 0.00 0.00 0.00 0.00 0.00 2.63 2.46 0.00 127 G 9.03 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 0.00 128 C 7.95 4.39 0.00 3.14 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 0.00 129 G 8.00 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 0.00 130 V 7.89 4.00 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 0.74 0.00 0.00 0.97 0.00 0.00