NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.3961 8.3349 115.4072 58.0513 64.3560 173.1488 4 V 3.8713 7.9448 115.5626 58.0425 32.6110 173.6094 5 P 4.4568 0.0000 0.0000 61.4888 33.0723 174.3238 6 P 4.5142 0.0000 0.0000 62.1910 31.9858 177.4890 7 G 3.9330 8.5779 110.5871 45.7091 0.0000 171.1456 8 D 5.4566 8.5513 118.7576 51.7968 42.8329 174.8274 9 I 4.5267 7.7017 111.4634 59.2186 40.5645 174.3692 10 N 5.0915 8.6725 119.8095 51.5625 40.9007 174.2090 11 T 5.1091 8.3576 112.4166 59.9668 72.8068 172.9356 12 Q 4.7499 8.6948 121.4727 53.3395 32.1322 173.8131 13 P 4.6662 0.0000 0.0000 62.6420 32.2370 176.2355 14 S 4.4914 8.3972 112.6421 59.4653 62.8549 174.4544 15 Q 4.6712 7.9652 116.8731 56.8836 31.1147 175.4846 16 K 4.5785 7.5735 114.7509 56.0897 36.0102 174.8203 17 I 4.5053 8.5470 119.5293 59.3084 41.4475 173.6685 18 V 4.4379 8.3142 128.6013 61.1179 33.5810 174.6210 19 F 4.9463 8.4416 127.3788 54.9990 40.2406 174.9604 20 N 5.0220 9.1596 122.1970 52.9407 38.8669 175.4182 21 A 2.8712 8.7371 126.5017 50.8627 19.3768 175.0179 22 P 4.0127 0.0000 0.0000 61.9433 32.6977 176.1426 23 Y 5.0432 7.6020 114.8826 56.7962 37.8841 176.0483 24 D 4.7395 8.0089 118.7051 54.5878 42.8546 175.8467 25 D 5.0936 7.7124 116.8228 51.9723 44.8716 174.5659 26 K 4.4763 8.4668 120.4859 56.4817 33.1289 175.8424 27 H 4.9966 9.0115 123.7989 54.3412 32.8208 173.2751 28 T 4.7388 7.8174 114.8363 62.7286 71.0456 173.8407 29 Y 4.6285 9.2679 125.0708 57.0910 40.6442 174.4357 30 H 5.2203 8.7661 116.1211 54.4096 33.3028 173.5130 31 I 4.7069 8.8022 121.5792 59.4539 41.0300 174.4549 32 K 4.5689 8.7471 129.8063 56.0668 33.3024 175.4356 33 I 4.7117 8.8786 128.8250 59.7883 39.8313 174.9091 34 T 4.8719 8.3128 122.2365 61.6152 72.9572 172.7919 35 N 4.6453 8.8670 124.9148 53.1946 38.9984 175.1049 36 A 4.1138 8.5427 129.3651 53.5669 19.6528 177.6279 37 G 3.8600 7.8119 104.1717 44.9913 0.0000 173.5936 38 G 3.9388 8.4997 106.6171 45.5157 0.0000 173.8542 39 R 4.6686 7.4313 118.0517 53.5482 33.6118 175.3402 40 R 4.3563 8.4165 121.4603 56.9358 31.3419 175.2236 41 I 5.1108 8.7456 117.7781 59.2359 41.7927 174.0982 42 G 5.2578 9.3525 110.5354 44.5883 0.0000 172.1503 43 W 6.3000 9.2236 117.8612 55.1822 32.4886 173.5791 44 A 4.8156 9.4342 120.7912 50.9034 22.4516 175.3086 45 I 5.4707 8.7466 120.0790 59.6657 41.3555 174.8874 46 K 4.9096 9.0159 123.6124 55.8180 36.5727 174.7614 47 T 5.7052 8.4638 109.3665 58.9222 72.1981 173.5127 48 T 4.3288 8.4390 111.7735 62.0232 70.4029 173.9989 49 N 5.0374 8.2336 121.8818 53.4823 39.7569 174.2195 50 M 4.2803 8.3131 124.6252 56.7082 33.0433 178.4448 51 R 4.0269 8.0642 117.2888 58.7779 30.6535 177.5180 52 R 4.1641 7.9574 117.2772 56.9702 30.7156 175.4447 53 L 5.7988 7.6566 115.9085 52.4278 45.1753 175.5840 54 S 4.6572 8.1619 113.3522 58.1259 66.1884 173.3504 55 V 5.1481 7.9404 118.4997 61.4486 34.9594 174.0310 56 D 4.4717 8.3926 123.4134 53.0299 43.3126 172.9857 57 P 4.9434 0.0000 0.0000 61.9947 32.4725 174.6052 58 P 4.6941 0.0000 0.0000 63.8022 32.5471 174.6641 59 C 3.2723 6.5570 113.6893 57.6216 32.0673 172.4700 60 G 3.6616 5.9391 103.7274 46.1266 0.0000 172.1584 61 V 5.4143 8.6237 118.4731 61.3709 35.1506 175.5522 62 L 5.0513 9.0514 126.2909 53.2221 45.6327 176.4871 63 D 4.9911 10.1378 125.2611 52.8101 41.9545 174.3935 64 P 4.2777 0.0000 0.0000 63.9211 31.6701 178.6020 65 K 3.9177 8.6704 118.3438 57.2355 31.7254 176.0075 66 E 4.2864 7.7888 120.2963 56.0954 30.7245 175.5944 67 K 5.2989 8.4390 122.9903 54.8648 36.5849 175.8028 68 V 4.5526 8.7825 120.5941 60.3933 35.0924 172.9545 69 L 5.1674 8.5647 125.1434 53.6391 43.9061 174.9636 70 M 5.1393 9.0263 122.0691 53.5293 35.9307 173.9136 71 A 4.8854 8.7047 120.8647 50.2351 21.4329 175.5702 72 V 4.7029 8.4210 123.2346 62.5285 33.4517 174.9168 73 S 5.1741 8.7854 122.5071 56.6289 65.7958 172.2774 74 C 5.1272 8.6920 124.0167 57.6912 33.5351 172.5981 75 D 5.1045 8.6116 125.9576 53.0749 42.4420 175.8745 76 T 4.5156 8.5673 118.5721 64.4147 69.1465 173.5738 77 F 4.7383 7.7899 114.9324 56.5763 41.2436 173.4317 78 N 4.3569 8.3694 118.7728 53.2384 38.7864 176.0336 79 A 4.0495 8.3533 124.9236 53.7918 18.9409 179.0191 80 A 4.1021 7.7655 118.6796 56.3507 18.8739 178.9704 81 T 3.8264 8.1775 115.0722 66.6079 68.7019 175.0533 82 E 4.2111 7.9540 120.2478 55.6242 30.9253 179.5527 83 R 4.2301 8.2240 119.1715 57.0702 30.6657 176.7584 84 L 4.3325 8.1290 115.9505 54.6077 45.7188 176.8125 85 N 4.8071 8.3667 115.9475 53.3003 37.9785 175.6744 86 N 4.6756 8.0418 116.0510 54.3203 39.0337 180.4474 87 D 5.1792 8.1203 118.1588 54.3884 42.2534 176.0404 88 R 4.9522 8.3001 116.4219 55.4738 33.2801 173.3455 89 I 4.8711 8.6685 120.6704 59.9307 40.1580 174.7634 90 T 5.0285 9.0758 124.5643 61.8504 71.1255 173.3242 91 I 5.1785 9.1749 127.7845 59.7534 39.6836 174.5914 92 E 5.5684 9.4159 126.4365 54.6689 33.1053 175.0208 93 W 6.3000 8.7334 118.4687 56.7341 32.3939 173.0083 94 T 4.7287 8.4661 112.7770 60.7793 70.1634 172.1844 95 N 4.9901 8.5873 124.2891 53.3457 39.2231 175.1961 96 T 2.9631 7.8441 113.2237 60.2600 69.9949 172.9368 97 P 4.1561 0.0000 0.0000 62.1525 32.0731 175.6142 98 D 4.4052 8.5398 120.3323 56.4240 40.9426 177.2962 99 G 3.8192 8.9155 110.8792 46.0676 0.0000 173.3044 100 A 4.2654 7.5749 121.2985 50.9893 19.1172 178.1670 101 A 4.3019 8.2832 122.4882 51.9596 19.4815 178.6759 102 K 4.4820 8.2636 122.0793 54.8062 30.6758 175.5690 103 Q 4.5869 7.7617 120.1893 53.6375 32.6404 173.9106 104 F 3.6897 8.8800 126.9764 58.5499 40.1386 174.4666 105 R 3.9072 5.8400 127.1868 53.7927 33.1683 177.1159 106 R 3.9627 8.3743 127.2406 61.8832 29.4149 175.8181 107 E 4.2196 7.9057 116.7249 60.7794 29.4045 182.6825 108 W 4.5335 7.6290 116.6588 60.0092 29.0920 177.7610 109 F 4.3324 8.5944 116.7026 58.9674 38.7686 177.2546 110 Q 4.5243 8.0364 116.3409 56.5571 29.6015 176.0532 111 G 3.8518 7.7093 107.8388 44.7039 0.0000 172.5726 112 D 4.3022 8.5673 118.5436 53.6417 41.1542 178.0172 113 G 3.8153 7.3806 110.0397 45.5780 0.0000 170.3013 114 M 4.5937 7.9614 118.5988 53.4132 34.6068 175.6181 115 V 4.3031 8.0405 124.5528 61.0636 34.1767 174.7141 116 R 4.0854 7.9811 128.4550 55.5224 31.5184 175.1836 117 R 5.1168 7.8040 121.3734 54.3593 34.6086 174.4792 118 K 4.7917 9.8100 122.2159 54.9880 35.8990 174.5714 119 N 5.4826 8.9610 123.6454 51.5513 41.4978 174.4142 120 L 4.7916 8.7725 122.0976 52.1159 44.7661 174.2281 121 P 4.5062 0.0000 0.0000 62.5998 32.6973 175.6307 122 I 4.1229 8.1111 124.5144 60.2479 38.3508 175.0189 123 E 4.4987 8.6135 126.5312 54.6971 32.1367 174.6660 124 Y 4.9254 8.6691 122.3556 56.8820 39.1138 175.3027 125 N 4.7626 9.2429 125.7981 51.8744 39.5077 175.2187 126 L 4.2610 8.3981 124.6539 54.8816 41.8373 177.3644 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 3 S 8.33 4.40 0.00 3.94 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 4 V 7.94 3.87 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 0.70 0.00 0.00 0.89 0.00 0.00 5 P 0.00 4.46 0.00 2.17 2.02 0.00 3.76 0.00 0.00 3.63 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 6 P 0.00 4.51 0.00 2.14 2.17 0.00 3.58 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.99 0.00 7 G 8.58 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 8 D 8.55 5.46 0.00 2.84 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 9 I 7.70 4.53 1.41 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.25 -0.33 0.00 0.00 10 N 8.67 5.09 0.00 2.53 2.65 0.00 0.00 6.97 7.11 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 11 T 8.36 5.11 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 1.06 0.00 0.00 12 Q 8.69 4.75 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.91 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 13 P 0.00 4.67 0.00 2.29 2.06 0.00 3.76 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.95 0.00 14 S 8.40 4.49 0.00 3.83 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 15 Q 7.97 4.67 0.00 1.91 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.48 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 16 K 7.57 4.58 0.00 1.74 1.70 0.00 1.44 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.26 1.37 7.81 17 I 8.55 4.51 1.76 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 1.09 0.58 0.00 0.00 18 V 8.31 4.44 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 0.92 0.00 0.00 0.86 0.00 0.00 19 F 8.44 4.95 0.00 2.83 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 20 N 9.16 5.02 0.00 2.72 2.81 0.00 0.00 7.13 7.35 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 21 A 8.74 2.87 0.85 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 22 P 0.00 4.01 0.00 2.16 1.94 0.00 3.59 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.92 0.00 23 Y 7.60 5.04 0.00 2.83 2.92 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 24 D 8.01 4.74 0.00 2.67 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 25 D 7.71 5.09 0.00 2.35 2.50 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 26 K 8.47 4.48 0.00 1.88 1.68 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.62 7.81 27 H 9.01 5.00 0.00 3.04 2.90 0.00 5.62 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 T 7.82 4.74 4.17 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 1.11 0.00 0.00 29 Y 9.27 4.63 0.00 3.02 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 30 H 8.77 5.22 0.00 2.98 3.18 0.00 5.84 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 31 I 8.80 4.71 1.84 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 1.12 0.85 0.83 0.00 0.00 32 K 8.75 4.57 0.00 1.84 1.63 0.00 1.56 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.37 7.81 33 I 8.88 4.71 1.25 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.37 0.33 0.00 0.00 34 T 8.31 4.87 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 1.14 0.00 0.00 35 N 8.87 4.65 0.00 2.82 2.81 0.00 0.00 6.84 7.01 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 36 A 8.54 4.11 1.27 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 37 G 7.81 3.86 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 0.00 38 G 8.50 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 39 R 7.43 4.67 0.00 1.78 1.79 0.00 3.37 0.00 0.00 3.14 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 40 R 8.42 4.36 0.00 1.89 1.76 0.00 3.10 0.00 0.00 3.45 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 41 I 8.75 5.11 2.23 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.92 1.16 0.00 0.00 42 G 9.35 5.26 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 0.00 0.00 0.00 43 W 9.22 6.30 0.00 3.76 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 44 A 9.43 4.82 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 45 I 8.75 5.47 2.02 0.00 0.00 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 1.93 1.42 1.08 0.00 0.00 46 K 9.02 4.91 0.00 1.79 1.86 0.00 1.28 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.41 7.81 47 T 8.46 5.71 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 1.24 0.00 0.00 48 T 8.44 4.33 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 49 N 8.23 5.04 0.00 2.85 2.68 0.00 0.00 7.19 8.31 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 50 M 8.31 4.28 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.55 0.00 51 R 8.06 4.03 0.00 1.76 1.97 0.00 3.18 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 52 R 7.96 4.16 0.00 1.60 1.83 0.00 2.61 0.00 0.00 2.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.20 0.00 53 L 7.66 5.80 0.00 1.72 1.58 1.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.16 4.66 0.00 3.85 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 55 V 7.94 5.15 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 1.21 0.00 0.00 0.97 0.00 0.00 56 D 8.39 4.47 0.00 2.73 2.49 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 57 P 0.00 4.94 0.00 2.22 2.01 0.00 4.03 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 2.20 2.04 0.00 58 P 0.00 4.69 0.00 1.98 2.26 0.00 3.57 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.85 0.00 59 C 6.56 3.27 0.00 1.23 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 0.00 0.00 0.00 60 G 5.94 3.66 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 0.00 0.00 0.00 61 V 8.62 5.41 2.28 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 1.11 0.00 0.00 1.38 0.00 0.00 62 L 9.05 5.05 0.00 1.87 1.59 1.10 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 63 D 10.14 4.99 0.00 2.76 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 64 P 0.00 4.28 0.00 2.17 2.22 0.00 3.75 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 2.12 2.23 0.00 65 K 8.67 3.92 0.00 1.90 1.93 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.50 7.81 66 E 7.79 4.29 0.00 2.10 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 2.35 2.32 0.00 67 K 8.44 5.30 0.00 1.59 1.58 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.38 7.81 68 V 8.78 4.55 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 0.57 0.00 0.00 1.06 0.00 0.00 69 L 8.56 5.17 0.00 1.63 1.60 0.92 0.85 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 70 M 9.03 5.14 0.00 2.20 2.28 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 2.61 2.40 0.00 71 A 8.70 4.89 1.19 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 72 V 8.42 4.70 2.26 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 1.05 0.00 0.00 1.01 0.00 0.00 73 S 8.79 5.17 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 74 C 8.69 5.13 0.00 2.52 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 75 D 8.61 5.10 0.00 2.88 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.57 4.52 4.32 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 1.38 0.00 0.00 77 F 7.79 4.74 0.00 3.01 2.86 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 78 N 8.37 4.36 0.00 2.79 2.78 0.00 0.00 6.88 7.14 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 79 A 8.35 4.05 1.28 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 0.00 0.00 0.00 80 A 7.77 4.10 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 81 T 8.18 3.83 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 1.23 0.00 0.00 82 E 7.95 4.21 0.00 2.00 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 2.15 0.00 83 R 8.22 4.23 0.00 1.74 1.85 0.00 3.12 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 84 L 8.13 4.33 0.00 1.55 1.62 1.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 85 N 8.37 4.81 0.00 2.84 2.94 0.00 0.00 5.85 8.04 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 86 N 8.04 4.68 0.00 2.76 2.76 0.00 0.00 6.79 8.06 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 87 D 8.12 5.18 0.00 2.70 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 88 R 8.30 4.95 0.00 1.94 1.95 0.00 3.05 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.77 0.00 89 I 8.67 4.87 1.95 0.00 0.00 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 1.24 0.68 0.94 0.00 0.00 90 T 9.08 5.03 4.30 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 1.35 0.00 0.00 91 I 9.17 5.18 2.11 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.93 1.10 0.00 0.00 92 E 9.42 5.57 0.00 2.23 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 0.00 2.33 2.36 0.00 93 W 8.73 6.30 0.00 3.81 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 8.47 4.73 3.73 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 0.69 0.00 0.00 95 N 8.59 4.99 0.00 2.53 2.62 0.00 0.00 6.99 7.54 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 96 T 7.84 2.96 3.53 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 0.43 0.00 0.00 97 P 0.00 4.16 0.00 2.13 1.92 0.00 2.93 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.83 0.00 98 D 8.54 4.41 0.00 2.62 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 99 G 8.92 3.82 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 0.00 0.00 0.00 100 A 7.57 4.27 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 101 A 8.28 4.30 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 0.00 102 K 8.26 4.48 0.00 1.81 1.83 0.00 1.92 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.54 7.81 103 Q 7.76 4.59 0.00 2.03 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.65 0.00 0.00 0.00 0.00 0.00 2.20 2.35 0.00 104 F 8.88 3.69 0.00 2.87 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 0.00 105 R 5.84 3.91 0.00 0.67 0.98 0.00 3.08 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.20 0.00 106 R 8.37 3.96 0.00 1.81 1.94 0.00 3.25 0.00 0.00 3.37 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 107 E 7.91 4.22 0.00 1.97 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 2.31 1.97 0.00 108 W 7.63 4.53 0.00 3.31 2.86 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 0.00 109 F 8.59 4.33 0.00 3.17 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 Q 8.04 4.52 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.02 0.00 0.00 0.00 0.00 0.00 2.36 2.64 0.00 111 G 7.71 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 0.00 112 D 8.57 4.30 0.00 2.65 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 0.00 113 G 7.38 3.82 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 0.00 0.00 0.00 114 M 7.96 4.59 0.00 1.85 1.84 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 2.37 2.37 0.00 115 V 8.04 4.30 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 0.96 0.00 0.00 0.79 0.00 0.00 116 R 7.98 4.09 0.00 1.35 0.66 0.00 3.11 0.00 0.00 3.53 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 1.27 0.00 117 R 7.80 5.12 0.00 1.60 1.76 0.00 3.21 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 118 K 9.81 4.79 0.00 2.22 1.86 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.54 7.81 119 N 8.96 5.48 0.00 2.64 2.69 0.00 0.00 6.81 7.85 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 0.00 120 L 8.77 4.79 0.00 1.50 1.50 0.89 1.17 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 0.00 121 P 0.00 4.51 0.00 1.99 1.91 0.00 3.72 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 122 I 8.11 4.12 1.65 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.52 -0.47 0.00 0.00 123 E 8.61 4.50 0.00 1.67 1.75 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 2.18 2.15 0.00 124 Y 8.67 4.93 0.00 2.95 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 0.00 125 N 9.24 4.76 0.00 2.91 2.83 0.00 0.00 6.88 6.22 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 0.00 126 L 8.40 4.26 0.00 1.73 1.62 0.99 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00