NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4819 8.2893 118.1931 55.7498 32.6372 174.1646 2 T 4.2462 8.1005 108.2766 59.5157 71.4038 172.2397 3 K 3.8633 8.4538 118.9585 57.4406 32.7831 176.3982 4 D 4.8820 7.4978 119.1656 54.1393 41.8516 173.1555 5 Q 4.7374 7.8095 121.4307 54.2415 32.9815 173.1733 6 N 5.2134 8.1240 117.4581 51.8531 43.4249 175.0390 7 G 3.4542 7.8022 105.9510 46.9235 0.0000 174.2687 8 T 4.3243 7.9510 111.2291 60.2928 68.0097 174.5986 9 W 4.6600 7.6574 122.4391 56.2293 29.2766 177.1253 10 E 3.8444 9.3175 125.8134 59.7423 29.8839 176.5381 11 M 3.0788 8.6435 119.4925 56.4362 29.7433 174.7877 12 E 4.0403 8.2379 124.2465 58.5613 29.8942 176.4771 13 S 4.7480 7.4384 110.3820 58.0760 66.3500 172.2955 14 N 4.8206 8.3998 115.2683 52.3146 39.8306 174.7254 15 E 4.6022 8.1972 120.4176 56.0770 32.9580 173.6471 16 N 4.3492 8.2920 117.1665 53.6947 36.2314 174.4998 17 F 4.0721 9.0611 131.7861 61.5722 39.7880 176.1742 18 E 4.2299 8.4009 118.9787 59.3234 29.7412 178.6918 19 G 3.9200 8.2798 105.0996 47.8427 0.0000 174.6065 20 Y 4.2047 7.6954 120.3960 60.7475 38.8609 177.1793 21 M 3.7716 7.5739 118.0755 57.2514 31.9225 178.6162 22 K 3.8686 8.4039 120.6324 59.2202 32.1453 178.7189 23 A 3.9587 7.6397 120.2336 55.1456 18.3855 179.3917 24 L 3.8585 7.3970 116.2680 55.3475 42.4388 176.7179 25 D 4.4167 7.8415 116.3803 54.1126 39.3850 174.4232 26 I 3.4563 8.1188 117.8436 61.1963 38.8618 176.2437 27 D 3.7750 7.9537 118.2603 56.4349 41.2866 173.3226 28 F 4.1721 8.9631 112.2882 56.7305 38.2043 174.2355 29 A 3.7774 7.4492 121.8149 53.8972 15.7815 177.1673 30 T 4.7909 7.5308 112.6840 63.1533 70.2674 175.9442 31 R 4.5142 8.1586 117.9816 56.6859 32.2606 176.4020 32 K 4.3568 7.7177 120.0797 54.9661 31.4838 175.1151 33 I 4.4413 7.0398 119.6599 63.0702 42.8153 176.6740 34 A 3.7652 7.4395 119.2110 51.7697 18.7095 177.9819 35 V 2.7585 6.8342 118.8254 64.6559 31.4618 176.2516 36 R 5.1699 7.2360 127.2761 56.5167 31.3709 172.9809 37 L 4.2785 9.7022 125.2158 55.6817 41.3978 174.9173 38 T 3.5536 6.9165 116.3986 62.7179 69.7152 170.7969 39 Q 4.8176 8.1408 128.4800 54.6236 32.8394 174.7908 40 T 4.8233 8.2979 120.0168 61.5221 72.9015 172.5413 41 K 4.5010 9.6484 129.7556 55.1910 33.0288 175.6488 42 I 4.6206 9.0978 129.4037 60.1066 39.6810 174.8432 43 I 4.8194 8.1167 122.7920 58.5330 41.4469 175.8434 44 V 4.5665 7.5523 123.8313 61.8990 32.3568 173.0967 45 Q 4.7944 8.4653 124.8899 55.9627 30.9169 175.3143 46 D 4.3988 9.4157 120.5095 54.3902 43.2797 176.9207 47 G 4.1187 8.7103 114.3129 45.2387 0.0000 171.4946 48 D 4.6214 8.5792 116.9561 55.1724 43.2671 175.0834 49 N 5.0603 8.1400 119.1480 52.2619 39.9684 174.0158 50 F 5.1057 9.0883 130.2610 56.7613 40.4065 173.5482 51 K 4.9784 8.2133 126.2666 53.6067 32.8966 176.0855 52 T 4.3434 7.2952 121.4057 63.1918 70.3277 173.2938 53 K 4.5390 9.2968 121.7549 56.1190 36.4585 174.4947 54 T 4.8044 8.3744 117.1509 60.4275 68.4233 173.1021 55 N 4.8006 8.6376 127.4051 53.8460 39.2302 175.0844 56 S 4.4726 8.1773 111.6233 58.6899 63.0317 174.0051 57 T 4.1880 8.2493 114.2826 63.8380 69.1499 176.0291 58 F 4.3931 7.7706 119.9051 59.5624 39.2199 175.4672 59 R 4.3878 7.8881 125.3067 55.5894 31.5408 174.5509 60 N 4.9409 8.4791 124.5804 51.4108 36.9048 173.9819 61 Y 3.9936 8.3454 126.8679 60.9807 39.5637 176.3335 62 D 4.9245 8.3030 113.4810 53.6339 39.3461 173.7147 63 L 4.1571 8.4199 121.4748 54.8303 41.6559 176.9913 64 D 4.7787 8.2533 118.9603 54.4321 40.8694 174.9594 65 F 5.3095 8.8578 124.1953 56.0706 43.4780 173.7009 66 T 5.0918 7.9985 113.8251 62.3574 72.7216 174.2561 67 V 3.5536 9.1995 125.9152 63.0052 32.5999 175.4270 68 G 4.0919 8.7185 112.5552 46.5755 0.0000 174.5728 69 V 3.9192 7.8273 117.9427 60.4695 32.8204 174.9410 70 E 3.6359 8.0243 120.5403 56.8098 27.4361 174.4863 71 F 4.1431 8.0778 126.6222 57.2504 37.1925 172.8579 72 D 4.8737 7.8081 121.8560 54.8744 40.4223 176.6741 73 E 3.9206 9.2510 121.0478 56.6938 30.7017 173.7794 74 H 4.0078 9.5687 116.5428 57.5242 28.2255 174.7682 75 T 4.7304 7.2942 117.8906 59.9010 70.5842 172.6893 76 K 4.3450 8.5989 122.5714 58.0833 34.1039 174.8202 77 G 4.1918 10.4161 110.4568 45.2504 0.0000 173.7124 78 L 4.3265 6.4989 118.5436 51.8153 42.1636 176.2939 79 D 5.2330 8.9163 125.5808 53.7438 40.0931 174.8667 80 G 3.7217 8.8159 111.9314 44.9625 0.0000 173.1957 81 R 4.2764 7.7545 128.1607 56.4491 36.0338 174.7413 82 N 4.6501 8.6371 115.0313 52.7321 42.3621 174.4961 83 V 4.4942 8.2230 123.7972 60.8560 35.6580 173.7143 84 K 4.1083 8.9837 127.0826 57.3676 32.9005 176.2319 85 T 5.3724 8.5775 122.9902 60.4375 68.5541 173.0630 86 L 4.1511 7.9694 126.2973 54.9051 44.2493 175.5349 87 V 4.6817 8.1773 124.1489 61.5073 34.6464 174.2431 88 T 4.7633 8.6575 122.9008 62.0632 73.5097 173.0640 89 W 4.5151 8.4641 123.1569 56.1073 30.2612 176.4238 90 E 4.3131 9.9636 124.0177 56.5964 29.7902 178.0011 91 G 5.0494 7.8957 117.6371 47.0280 0.0000 173.0418 92 N 5.0253 7.1583 115.0695 49.6085 37.5960 173.2535 93 T 4.5986 7.7752 123.0159 62.5833 69.6158 170.8881 94 L 3.5166 7.2516 130.3888 53.8043 41.2355 174.2216 95 V 3.8534 8.0929 123.5251 61.9351 33.6035 174.2146 96 C 4.9026 7.7535 124.2214 58.2342 32.8804 173.2050 97 V 4.3887 8.5446 116.4961 59.7963 33.7016 175.0855 98 Q 4.6536 8.7612 125.7995 54.7153 28.7040 175.6867 99 K 4.3226 9.2273 129.0399 54.2607 30.5180 176.7103 100 G 4.2047 8.1866 122.5180 43.8007 0.0000 174.3775 101 E 5.3499 8.9433 129.7477 58.3154 30.6546 173.3520 102 K 4.0065 8.1860 129.6416 55.8709 30.2375 174.4645 103 E 4.7247 7.7209 114.9414 54.5420 33.0236 174.4022 104 N 4.8719 8.4728 114.9738 51.6446 40.6074 174.9387 105 R 4.7359 8.0932 120.9378 55.1393 30.1549 175.9445 106 G 3.9633 8.2187 108.8429 46.5587 0.0000 171.9147 107 W 5.1984 8.2267 122.5262 54.3691 30.8850 175.6452 108 K 4.0725 7.8648 120.7150 55.9220 36.0193 173.6129 109 Q 4.2743 7.0911 116.7885 54.1362 32.2364 174.6419 110 W 4.4470 7.9669 112.2422 55.7712 29.5366 173.0977 111 V 3.5832 8.7590 127.2639 63.4566 31.2404 174.9147 112 E 4.4154 8.8681 127.6942 54.8470 29.5774 175.8348 113 G 3.8506 9.0049 112.8014 47.5954 0.0000 171.1305 114 D 4.5286 8.1820 122.4393 53.5369 38.8267 173.7433 115 K 5.1818 7.1668 124.1949 56.6648 34.0140 175.7663 116 L 4.0208 7.1738 121.0005 54.7145 43.4730 177.1161 117 Y 5.4945 7.3550 112.7369 57.7858 39.9524 175.7661 118 L 4.4631 8.0043 123.2373 54.9513 41.6517 174.1457 119 E 5.0000 8.1657 123.0988 54.3017 30.8601 174.6725 120 L 4.9855 8.3306 125.0709 54.4459 43.6491 175.2471 121 T 5.0157 8.0425 113.6083 60.4189 71.3858 173.5590 122 C 5.5611 7.7586 116.3159 57.8940 29.4743 172.9482 123 G 4.3449 9.2281 118.7009 45.0096 0.0000 172.8309 124 D 4.8131 7.1796 116.5182 51.2264 40.2648 176.4643 125 Q 4.4776 7.8927 115.6725 55.4282 30.4780 175.2897 126 V 3.5414 7.8778 118.1031 61.2328 31.1081 174.6716 127 C 4.6097 9.1521 127.0755 57.5730 32.4737 172.1135 128 R 4.6611 8.6150 127.2836 55.0895 31.2511 174.8413 129 Q 4.9402 8.2633 124.1200 54.2618 31.4227 175.1136 130 V 4.8934 7.8578 119.2647 61.4988 35.4352 173.9597 131 F 4.8347 8.3576 121.7908 56.2476 43.8903 174.8467 132 K 4.4672 9.3656 118.9974 56.2029 33.3113 175.7494 133 K 3.6093 8.6716 128.1925 59.1272 33.7046 176.5177 134 K 3.9483 7.6746 125.0000 56.6424 32.0498 174.1391 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 M 8.29 4.48 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 2 T 8.10 4.25 4.11 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 1.20 0.00 0.00 3 K 8.45 3.86 0.00 0.79 1.21 0.00 1.18 0.00 0.00 1.32 0.00 0.00 2.13 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.01 0.92 7.81 4 D 7.50 4.88 0.00 2.48 2.55 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 5 Q 7.81 4.74 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.66 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 6 N 8.12 5.21 0.00 2.64 2.66 0.00 0.00 6.87 7.72 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 7 G 7.80 3.45 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 0.00 8 T 7.95 4.32 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 1.14 0.00 0.00 9 W 7.66 4.66 0.00 3.47 3.45 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 10 E 9.32 3.84 0.00 2.03 2.08 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 2.39 2.33 0.00 11 M 8.64 3.08 0.00 2.03 2.42 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 2.25 0.00 12 E 8.24 4.04 0.00 1.97 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 2.32 2.36 0.00 13 S 7.44 4.75 0.00 3.89 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 14 N 8.40 4.82 0.00 2.82 2.79 0.00 0.00 5.96 7.73 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 15 E 8.20 4.60 0.00 1.94 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 2.29 2.44 0.00 16 N 8.29 4.35 0.00 3.16 3.02 0.00 0.00 7.09 7.77 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 17 F 9.06 4.07 0.00 3.34 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 18 E 8.40 4.23 0.00 2.12 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 2.40 2.34 0.00 19 G 8.28 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 0.00 0.00 0.00 20 Y 7.70 4.20 0.00 2.95 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 21 M 7.57 3.77 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.35 0.00 22 K 8.40 3.87 0.00 1.93 1.87 0.00 1.61 0.00 0.00 1.63 0.00 0.00 3.27 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.43 7.81 23 A 7.64 3.96 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 24 L 7.40 3.86 0.00 1.44 1.53 0.38 1.40 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 25 D 7.84 4.42 0.00 2.89 2.56 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 26 I 8.12 3.46 1.62 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.55 0.70 0.00 0.00 27 D 7.95 3.78 0.00 2.81 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 0.00 0.00 0.00 28 F 8.96 4.17 0.00 3.28 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 29 A 7.45 3.78 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 30 T 7.53 4.79 4.37 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 1.23 0.00 0.00 31 R 8.16 4.51 0.00 2.08 2.10 0.00 3.19 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 32 K 7.72 4.36 0.00 1.71 1.76 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.32 1.40 7.81 33 I 7.04 4.44 1.70 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 1.30 0.50 0.61 0.00 0.00 34 A 7.44 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 6.83 2.76 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 0.76 0.00 0.00 36 R 7.24 5.17 0.00 1.85 1.88 0.00 3.47 0.00 0.00 3.34 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.56 0.00 37 L 9.70 4.28 0.00 1.38 1.39 0.77 -1.17 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 38 T 6.92 3.55 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 1.21 0.00 0.00 39 Q 8.14 4.82 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 40 T 8.30 4.82 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 1.32 0.00 0.00 41 K 9.65 4.50 0.00 2.06 2.39 0.00 1.82 0.00 0.00 1.86 0.00 0.00 2.49 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.63 7.81 42 I 9.10 4.62 2.01 0.00 0.00 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 1.12 0.69 0.98 0.00 0.00 43 I 8.12 4.82 2.36 0.00 0.00 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 1.51 2.14 1.26 0.00 0.00 44 V 7.55 4.57 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 0.92 0.00 0.00 0.93 0.00 0.00 45 Q 8.47 4.79 0.00 2.56 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.76 0.00 0.00 0.00 0.00 0.00 2.89 2.65 0.00 46 D 9.42 4.40 0.00 2.70 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 47 G 8.71 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 0.00 0.00 0.00 48 D 8.58 4.62 0.00 2.83 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 49 N 8.14 5.06 0.00 2.94 2.78 0.00 0.00 6.33 7.07 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 50 F 9.09 5.11 0.00 3.35 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 51 K 8.21 4.98 0.00 1.65 1.64 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.60 1.23 7.81 52 T 7.30 4.34 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 1.21 0.00 0.00 53 K 9.30 4.54 0.00 1.73 1.81 0.00 1.28 0.00 0.00 1.57 0.00 0.00 2.75 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.39 7.81 54 T 8.37 4.80 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 1.31 0.00 0.00 55 N 8.64 4.80 0.00 2.84 2.80 0.00 0.00 7.21 7.51 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 56 S 8.18 4.47 0.00 3.97 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 57 T 8.25 4.19 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 1.13 0.00 0.00 58 F 7.77 4.39 0.00 3.12 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 59 R 7.89 4.39 0.00 1.81 1.88 0.00 3.26 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 1.45 1.62 0.00 60 N 8.48 4.94 0.00 2.84 3.03 0.00 0.00 6.41 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 61 Y 8.35 3.99 0.00 2.99 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 62 D 8.30 4.92 0.00 2.94 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 63 L 8.42 4.16 0.00 1.52 1.54 -0.01 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.25 4.78 0.00 2.90 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 65 F 8.86 5.31 0.00 3.15 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 T 8.00 5.09 4.27 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 1.41 0.00 0.00 67 V 9.20 3.55 2.29 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 0.80 0.00 0.00 0.62 0.00 0.00 68 G 8.72 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 0.00 0.00 0.00 69 V 7.83 3.92 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 0.68 0.00 0.00 0.90 0.00 0.00 70 E 8.02 3.64 0.00 2.07 1.94 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 2.19 2.26 0.00 71 F 8.08 4.14 0.00 2.70 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 72 D 7.81 4.87 0.00 2.69 2.52 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 0.00 73 E 9.25 3.92 0.00 2.26 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 0.00 2.21 2.41 0.00 74 H 9.57 4.01 0.00 3.16 3.62 0.00 5.74 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 T 7.29 4.73 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 1.26 0.00 0.00 76 K 8.60 4.35 0.00 1.91 1.74 0.00 1.61 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.13 1.31 7.81 77 G 10.42 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 0.00 0.00 0.00 78 L 6.50 4.33 0.00 1.65 1.58 0.99 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 79 D 8.92 5.23 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 80 G 8.82 3.72 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 0.00 0.00 0.00 81 R 7.75 4.28 0.00 2.06 1.70 0.00 3.35 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 82 N 8.64 4.65 0.00 2.61 2.70 0.00 0.00 6.44 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 83 V 8.22 4.49 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 1.08 0.00 0.00 0.97 0.00 0.00 84 K 8.98 4.11 0.00 1.78 1.78 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.71 1.57 7.81 85 T 8.58 5.37 4.89 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 1.72 0.00 0.00 86 L 7.97 4.15 0.00 1.76 1.49 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 87 V 8.18 4.68 2.01 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 1.09 0.00 0.00 0.85 0.00 0.00 88 T 8.66 4.76 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 1.18 0.00 0.00 89 W 8.46 4.52 0.00 3.39 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 90 E 9.96 4.31 0.00 1.92 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 0.00 2.34 2.34 0.00 91 G 7.90 5.05 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 0.00 0.00 0.00 92 N 7.16 5.03 0.00 2.85 2.81 0.00 0.00 5.92 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 93 T 7.78 4.60 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 94 L 7.25 3.52 0.00 0.70 0.92 0.23 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 95 V 8.09 3.85 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 0.69 0.00 0.00 1.01 0.00 0.00 96 C 7.75 4.90 0.00 2.04 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 0.00 0.00 0.00 0.00 97 V 8.54 4.39 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 1.02 0.00 0.00 0.89 0.00 0.00 98 Q 8.76 4.65 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 7.48 0.00 0.00 0.00 0.00 0.00 2.47 2.63 0.00 99 K 9.23 4.32 0.00 1.72 1.75 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.44 7.81 100 G 8.19 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 0.00 101 E 8.94 5.35 0.00 1.95 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 2.04 2.07 0.00 102 K 8.19 4.01 0.00 1.83 2.09 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.22 1.15 7.81 103 E 7.72 4.72 0.00 2.06 1.88 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 2.17 2.26 0.00 104 N 8.47 4.87 0.00 2.64 2.78 0.00 0.00 6.79 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 0.00 105 R 8.09 4.74 0.00 1.95 2.06 0.00 3.52 0.00 0.00 2.92 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.46 0.00 106 G 8.22 3.96 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 0.00 0.00 0.00 107 W 8.23 5.20 0.00 3.38 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 0.00 108 K 7.86 4.07 0.00 0.85 1.39 0.00 1.54 0.00 0.00 1.85 0.00 0.00 2.86 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.00 1.06 7.81 109 Q 7.09 4.27 0.00 1.69 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.99 0.00 0.00 0.00 0.00 0.00 1.95 2.13 0.00 110 W 7.97 4.45 0.00 3.23 3.42 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 0.00 111 V 8.76 3.58 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 0.98 0.00 0.00 1.01 0.00 0.00 112 E 8.87 4.42 0.00 2.23 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 0.00 2.36 2.65 0.00 113 G 9.00 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 0.00 114 D 8.18 4.53 0.00 2.83 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 0.00 115 K 7.17 5.18 0.00 2.14 2.17 0.00 1.56 0.00 0.00 1.71 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.07 7.81 116 L 7.17 4.02 0.00 0.27 0.56 0.52 -0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 117 Y 7.36 5.49 0.00 3.36 3.18 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 0.00 118 L 8.00 4.46 0.00 1.83 1.84 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.17 5.00 0.00 2.23 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 0.00 2.35 2.36 0.00 120 L 8.33 4.99 0.00 1.82 1.74 1.01 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 121 T 8.04 5.02 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 1.28 0.00 0.00 122 C 7.76 5.56 0.00 3.10 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 0.00 123 G 9.23 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 0.00 0.00 0.00 0.00 124 D 7.18 4.81 0.00 2.75 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 0.00 125 Q 7.89 4.48 0.00 2.04 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 126 V 7.88 3.54 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 0.77 0.00 0.00 0.99 0.00 0.00 127 C 9.15 4.61 0.00 2.93 2.75 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 0.00 128 R 8.61 4.66 0.00 1.89 1.77 0.00 3.12 0.00 0.00 3.29 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 129 Q 8.26 4.94 0.00 2.30 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.46 0.00 0.00 0.00 0.00 0.00 2.24 2.38 0.00 130 V 7.86 4.89 2.06 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 1.07 0.00 0.00 1.01 0.00 0.00 131 F 8.36 4.83 0.00 3.06 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 0.00 132 K 9.37 4.47 0.00 1.93 1.78 0.00 1.80 0.00 0.00 1.95 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.55 7.81 133 K 8.67 3.61 0.00 0.79 2.04 0.00 1.35 0.00 0.00 1.67 0.00 0.00 2.75 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.39 1.18 7.81 134 K 7.67 3.95 0.00 1.48 1.51 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.18 1.26 7.81