NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 H 4.7746 8.4449 120.3854 55.9496 30.9727 172.2659 13 Q 4.2702 8.2904 125.2954 53.0304 31.3924 174.0340 14 A 4.2132 8.3816 125.0306 51.5504 20.1252 176.8037 15 I 3.7377 8.0787 120.2116 60.8096 38.8332 176.5316 16 S 4.2638 8.5033 121.5707 57.7262 64.1201 173.4861 17 P 4.3501 0.0000 0.0000 65.5985 30.5877 179.2203 18 R 3.9960 8.0180 117.3177 59.4535 30.0457 179.1260 19 T 4.0254 7.7500 115.1972 66.3268 68.5811 176.8001 20 L 4.1396 7.9419 121.0861 57.9445 41.6255 179.1134 21 N 4.3697 8.4239 116.7414 56.3454 38.7427 176.9039 22 A 3.9836 7.7793 121.4524 54.9616 18.5917 179.3378 23 W 4.3723 8.2160 126.6604 60.6559 30.7537 178.2668 24 V 3.2475 7.8396 118.0926 65.8757 30.8583 178.0148 25 K 3.8326 8.3014 118.5785 59.4300 31.8755 179.4488 26 V 3.4819 7.8739 118.4582 66.1167 31.6667 178.3401 27 V 3.0298 7.1037 117.8383 65.6527 30.9277 177.5894 28 E 3.8376 7.7221 118.5015 58.5626 29.4687 178.0031 29 E 4.1013 7.4878 118.6323 58.7493 30.4165 178.0317 30 K 4.0301 8.0082 116.1780 55.1830 32.3343 178.6340 31 A 3.1935 7.4987 121.9896 53.3928 18.8980 179.8616 32 F 4.8702 8.4918 110.8021 58.2177 38.8594 174.1490 33 S 4.7347 8.3296 118.2814 56.3311 65.3228 174.5316 34 P 4.2922 0.0000 0.0000 65.7357 31.0575 178.3911 35 E 4.2259 7.9616 115.7296 58.2988 29.3328 179.1500 36 V 3.8960 8.2065 120.3491 64.8801 31.2157 178.6135 37 I 3.8604 7.8410 119.9050 63.9507 37.1900 176.5479 38 P 4.3557 0.0000 0.0000 65.9015 31.1617 178.6460 39 M 4.1594 7.8983 116.3653 58.2997 31.4872 178.3651 40 F 3.8806 8.9019 121.3114 61.5859 39.2733 177.4501 41 S 3.9619 8.0230 113.4468 61.1618 62.8547 176.1145 42 A 4.1150 7.7721 123.3742 54.7587 18.0941 179.2534 43 L 4.1983 7.7941 115.8923 56.1204 42.0143 177.9543 44 S 4.3677 6.8873 112.8361 57.4574 63.1147 173.4556 45 E 3.9552 7.3758 119.9908 58.4528 29.2002 177.4442 46 G 3.8164 8.9160 111.2284 45.4815 0.0000 173.1512 47 A 4.0308 7.5999 123.3755 52.0184 19.0971 178.2201 48 T 4.4274 8.1324 112.3005 60.2692 71.5236 174.2939 49 P 4.4579 0.0000 0.0000 66.1447 31.2350 178.6345 50 Q 4.0172 8.5067 118.1528 59.2438 28.8921 178.1800 51 D 4.5537 7.9413 121.2388 56.8776 40.9049 178.5415 52 L 3.9256 8.0324 119.4613 58.0872 41.5587 179.4980 53 N 4.5193 8.4299 116.5877 56.4083 38.3473 177.6148 54 T 3.9295 8.0509 111.3904 65.0840 68.5935 176.4593 55 M 4.1698 8.0350 120.7237 58.3007 32.3812 178.5140 56 L 4.4289 8.0939 118.9990 57.7386 41.5257 179.3117 57 N 4.4529 8.2306 116.2335 56.5180 38.5729 177.0028 58 T 4.2314 7.6881 113.6212 63.8739 67.4685 173.9355 59 V 3.6657 7.6812 119.8454 62.6326 30.8604 175.2409 60 G 4.0552 8.4507 116.2853 45.1232 0.0000 172.2310 61 G 3.9136 9.2827 107.4795 46.2000 0.0000 173.9275 62 H 4.9340 7.7377 114.4634 53.4358 30.1105 175.0284 63 Q 3.9985 8.4573 122.4209 59.4034 29.2975 176.9268 64 A 4.0045 8.0478 120.8544 55.1816 18.5963 179.1109 65 A 3.9791 8.1412 118.8183 55.8444 18.3114 179.6715 66 M 4.0635 8.2160 116.9466 58.3831 31.9964 178.6910 67 Q 4.0051 8.1738 119.7893 59.0073 29.2037 177.9374 68 M 4.0923 7.9113 119.9100 57.9472 31.8517 178.3838 69 L 3.8625 7.9529 120.5015 58.2450 42.2819 179.1539 70 K 3.9708 8.2755 118.5303 59.5170 31.9363 179.1425 71 E 3.9453 8.2952 118.8309 59.6925 29.5235 179.4829 72 T 3.8318 7.8484 115.6438 66.6608 68.4421 176.6060 73 I 3.9133 8.0497 121.9274 64.7230 37.2045 178.2699 74 N 4.2962 8.3862 117.2676 56.2031 38.3495 177.4858 75 E 3.8724 8.1554 120.0038 59.4205 29.6514 179.1118 76 E 3.5163 8.1906 118.7744 59.0653 29.3224 179.3986 77 A 3.4250 7.5203 120.7025 54.8312 18.4502 179.4937 78 A 3.9518 7.9408 119.3235 55.2126 18.3780 179.5615 79 E 3.8354 7.9201 117.8496 58.8800 29.4953 178.5213 80 W 4.2370 8.3198 127.8690 60.8825 30.9656 177.2874 81 D 4.6215 8.2604 118.4972 57.3975 40.0233 178.7202 82 R 3.8750 7.8974 118.1963 59.1173 30.1573 177.6546 83 L 4.4789 7.3535 115.2327 54.1417 42.7413 177.2769 84 H 4.5590 7.4135 116.4684 53.2622 30.0106 171.3417 85 P 4.4436 0.0000 0.0000 62.0223 32.1709 176.9592 86 V 3.9257 8.0312 113.7684 60.5622 32.4299 176.4349 87 A 4.1071 8.3441 125.4377 51.6406 18.9409 177.5503 88 A 3.9816 8.5116 123.6761 52.5078 18.9525 177.5037 89 A 4.6306 8.2757 125.2938 49.9220 20.7842 174.9600 90 P 4.5332 0.0000 0.0000 61.9605 32.4453 176.3498 91 I 3.8917 8.1005 121.0819 60.5387 39.0484 175.2707 92 A 4.2541 8.3153 128.5182 50.9383 19.1186 175.5892 93 P 4.4199 0.0000 0.0000 64.2003 32.1265 175.9655 94 G 4.3113 8.9319 113.1548 45.9355 0.0000 174.2117 95 Q 4.2848 7.5620 119.0871 55.1833 29.8507 174.1057 96 M 4.8829 8.0469 118.0507 52.4785 34.2205 175.5289 97 R 4.1771 8.4649 115.5428 56.3714 30.0492 176.2130 98 E 4.3327 8.5252 119.1714 55.0648 30.4357 175.0648 99 P 4.1067 0.0000 0.0000 62.5048 32.1156 177.1578 100 R 4.6876 9.1113 121.4895 54.9538 32.4805 178.1115 101 G 3.8860 9.8676 107.3835 48.4831 0.0000 176.1893 102 S 4.2721 8.0587 116.0815 60.5751 63.2322 176.0274 103 D 4.3756 7.7853 122.7023 57.3009 40.5264 178.4268 104 I 3.3482 7.3650 119.1576 63.7725 37.0671 177.5516 105 A 2.5800 7.5430 119.0500 51.2951 18.5439 177.8009 106 G 3.8947 7.3531 105.0563 46.0919 0.0000 174.8693 107 T 4.3013 7.8059 111.8118 62.1496 69.8174 175.5781 108 T 4.5120 7.9096 109.1716 60.8436 69.2913 173.1821 109 S 4.8382 7.8395 116.5261 56.8411 66.1058 172.6940 110 T 4.5804 8.1424 111.4436 59.7545 72.1397 175.2919 111 L 3.8639 8.1297 121.8488 58.0981 42.0543 178.5025 112 Q 3.8439 7.9253 117.5728 59.0507 28.7316 178.5923 113 E 3.1781 8.1144 119.4359 59.2644 29.3070 179.1061 114 Q 4.2036 8.2215 118.1909 59.5255 28.9428 179.6110 115 I 3.7613 8.1763 120.6883 64.4889 37.0586 178.8033 116 G 3.5511 7.9549 106.3993 47.5019 0.0000 175.8072 117 W 4.4086 7.9890 121.2680 59.8323 28.8288 178.2254 118 M 3.8138 7.8082 117.6366 57.1360 31.6149 177.9619 119 T 4.2576 7.5791 109.4049 62.9392 70.4058 174.3582 120 H 3.8007 7.7547 121.0946 55.8862 30.4015 173.1528 121 N 4.5176 8.2726 124.5613 51.6376 38.4006 172.7736 122 P 4.6470 0.0000 0.0000 60.6510 32.6824 174.5825 123 P 5.0405 0.0000 0.0000 62.2640 31.9685 176.4421 124 I 4.2631 8.8706 122.4822 59.6767 36.9842 175.2087 125 P 4.6141 0.0000 0.0000 61.4533 29.0492 176.5189 126 V 3.3683 7.7886 119.8262 64.9432 31.9153 177.8889 127 G 3.7954 7.8627 106.3260 47.3868 0.0000 175.4403 128 E 3.9300 8.0249 120.7974 58.9346 29.5860 179.3916 129 I 3.4039 7.6551 119.8475 64.4348 37.0743 177.6094 130 Y 3.4940 7.2758 120.1372 60.6211 38.4949 178.2228 131 K 3.8058 8.0420 120.3239 59.5371 32.2158 178.7150 132 R 4.0088 7.7243 118.5956 58.8679 29.9960 178.4756 133 W 4.4463 7.9642 118.8130 59.8057 28.9729 178.3263 134 I 3.5833 7.9792 119.9516 64.6033 36.4323 178.6187 135 I 3.6554 7.8635 120.4346 64.2033 36.9456 178.4872 136 L 4.1107 8.1465 120.1623 57.7507 41.4620 179.8436 137 G 3.5895 8.2221 105.6808 47.4045 0.0000 175.8025 138 L 3.9297 8.1206 121.6130 57.4920 41.5609 179.3080 139 N 4.3343 8.3975 116.9069 56.1827 38.5719 177.3336 140 K 3.9533 7.9285 120.8935 59.4138 32.2032 178.9144 141 I 3.7286 7.7473 120.1031 64.4765 36.9955 178.5491 142 V 3.8830 8.0864 119.3449 66.1758 31.1316 178.0665 143 R 4.0883 8.0007 117.4700 59.2350 29.9396 177.9428 144 M 4.0489 7.7380 117.3867 58.5592 32.3919 177.2058 145 Y 4.4053 8.2711 115.0298 58.7450 38.6164 175.7966 146 S 4.2949 8.5872 119.4713 58.4113 63.3778 173.6197 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 12 H 8.44 4.77 0.00 3.08 3.29 0.00 5.83 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.29 4.27 0.00 2.07 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.89 0.00 0.00 0.00 0.00 0.00 2.19 2.37 0.00 14 A 8.38 4.21 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 15 I 8.08 3.74 2.03 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 1.28 0.72 0.92 0.00 0.00 16 S 8.50 4.26 0.00 3.92 3.75 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 17 P 0.00 4.35 0.00 2.20 2.10 0.00 3.65 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 18 R 8.02 4.00 0.00 1.85 1.98 0.00 3.29 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 19 T 7.75 4.03 4.22 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 1.21 0.00 0.00 20 L 7.94 4.14 0.00 1.95 1.81 0.97 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.42 4.37 0.00 2.79 3.02 0.00 0.00 7.14 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 22 A 7.78 3.98 1.46 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 0.00 0.00 23 W 8.22 4.37 0.00 3.45 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.84 3.25 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 0.91 0.00 0.00 0.97 0.00 0.00 25 K 8.30 3.83 0.00 1.92 1.81 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.60 1.59 7.81 26 V 7.87 3.48 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 0.98 0.00 0.00 1.02 0.00 0.00 27 V 7.10 3.03 1.33 0.00 0.00 0.00 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 -0.11 0.00 0.00 28 E 7.72 3.84 0.00 1.90 2.02 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 2.23 2.23 0.00 29 E 7.49 4.10 0.00 1.86 2.02 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 2.25 2.32 0.00 30 K 8.01 4.03 0.00 1.73 1.75 0.00 1.85 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.55 7.81 31 A 7.50 3.19 0.94 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 32 F 8.49 4.87 0.00 2.93 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 33 S 8.33 4.73 0.00 4.18 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 34 P 0.00 4.29 0.00 2.22 2.21 0.00 3.63 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.24 0.00 35 E 7.96 4.23 0.00 2.14 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 2.38 0.00 36 V 8.21 3.90 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 1.26 0.00 0.00 1.15 0.00 0.00 37 I 7.84 3.86 2.10 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.74 0.99 0.00 0.00 38 P 0.00 4.36 0.00 2.21 2.15 0.00 3.82 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 2.17 2.23 0.00 39 M 7.90 4.16 0.00 2.32 2.46 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.87 0.00 40 F 8.90 3.88 0.00 3.28 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 41 S 8.02 3.96 0.00 4.09 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 42 A 7.77 4.12 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 43 L 7.79 4.20 0.00 1.39 1.60 1.14 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 44 S 6.89 4.37 0.00 3.45 2.98 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 45 E 7.38 3.96 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 2.28 2.34 0.00 46 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 47 A 7.60 4.03 1.25 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 48 T 8.13 4.43 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 1.09 0.00 0.00 49 P 0.00 4.46 0.00 2.30 2.18 0.00 3.81 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 50 Q 8.51 4.02 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 51 D 7.94 4.55 0.00 2.90 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 52 L 8.03 3.93 0.00 1.95 1.59 0.93 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.43 4.52 0.00 2.98 2.96 0.00 0.00 6.78 7.18 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 54 T 8.05 3.93 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 1.25 0.00 0.00 55 M 8.03 4.17 0.00 1.50 2.18 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.43 0.00 56 L 8.09 4.43 0.00 1.91 1.82 0.87 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 57 N 8.23 4.45 0.00 3.00 2.94 0.00 0.00 6.95 7.16 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 58 T 7.69 4.23 4.60 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 1.44 0.00 0.00 59 V 7.68 3.67 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 0.75 0.00 0.00 1.13 0.00 0.00 60 G 8.45 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 0.00 0.00 0.00 61 G 9.28 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 62 H 7.74 4.93 0.00 3.27 3.39 0.00 5.83 0.00 0.00 0.00 0.00 8.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 8.46 4.00 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 64 A 8.05 4.00 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 65 A 8.14 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 M 8.22 4.06 0.00 2.10 2.28 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.96 0.00 67 Q 8.17 4.01 0.00 2.20 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 68 M 7.91 4.09 0.00 2.12 2.23 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 2.87 2.54 0.00 69 L 7.95 3.86 0.00 1.68 1.81 0.84 0.62 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 70 K 8.28 3.97 0.00 1.85 1.89 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.78 7.81 71 E 8.30 3.95 0.00 2.15 1.98 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 2.33 2.55 0.00 72 T 7.85 3.83 4.40 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 1.25 0.00 0.00 73 I 8.05 3.91 2.14 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.88 1.23 0.00 0.00 74 N 8.39 4.30 0.00 2.85 2.84 0.00 0.00 7.09 7.96 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 75 E 8.16 3.87 0.00 2.06 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 2.27 2.37 0.00 76 E 8.19 3.52 0.00 1.16 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 2.28 2.26 0.00 77 A 7.52 3.42 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 78 A 7.94 3.95 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.92 3.84 0.00 2.04 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 2.27 2.34 0.00 80 W 8.32 4.24 0.00 3.72 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 81 D 8.26 4.62 0.00 2.99 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 82 R 7.90 3.88 0.00 1.96 2.00 0.00 3.21 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 83 L 7.35 4.48 0.00 1.22 1.29 0.82 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 84 H 7.41 4.56 0.00 2.77 3.00 0.00 5.85 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.44 0.00 2.02 1.95 0.00 3.61 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 86 V 8.03 3.93 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 0.72 0.00 0.00 0.95 0.00 0.00 87 A 8.34 4.11 1.26 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 88 A 8.51 3.98 1.26 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 89 A 8.28 4.63 1.26 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 90 P 0.00 4.53 0.00 2.20 2.06 0.00 3.78 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 91 I 8.10 3.89 1.90 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 1.39 0.72 0.93 0.00 0.00 92 A 8.32 4.25 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 93 P 0.00 4.42 0.00 2.05 2.02 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 94 G 8.93 4.31 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 0.00 95 Q 7.56 4.28 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.64 0.00 0.00 0.00 0.00 0.00 2.39 2.31 0.00 96 M 8.05 4.88 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.44 0.00 97 R 8.46 4.18 0.00 2.09 2.09 0.00 3.15 0.00 0.00 3.33 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.99 0.00 98 E 8.53 4.33 0.00 2.02 1.93 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 2.35 2.27 0.00 99 P 0.00 4.11 0.00 1.38 0.49 0.00 3.51 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.03 0.00 100 R 9.11 4.69 0.00 1.83 2.09 0.00 3.39 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.83 0.00 101 G 9.87 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 0.00 102 S 8.06 4.27 0.00 4.06 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 0.00 103 D 7.79 4.38 0.00 2.68 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 0.00 104 I 7.37 3.35 1.57 0.00 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 -0.23 -0.28 0.00 0.00 105 A 7.54 2.58 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 0.00 0.00 106 G 7.35 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 0.00 107 T 7.81 4.30 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 1.21 0.00 0.00 108 T 7.91 4.51 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 1.23 0.00 0.00 109 S 7.84 4.84 0.00 4.13 4.22 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 0.00 110 T 8.14 4.58 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 1.16 0.00 0.00 111 L 8.13 3.86 0.00 1.74 1.66 0.76 0.74 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 0.00 112 Q 7.93 3.84 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.67 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 113 E 8.11 3.18 0.00 1.66 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 1.89 2.07 0.00 114 Q 8.22 4.20 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.77 0.00 0.00 0.00 0.00 0.00 2.53 2.71 0.00 115 I 8.18 3.76 2.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.81 0.86 0.00 0.00 116 G 7.95 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 0.00 0.00 0.00 117 W 7.99 4.41 0.00 3.62 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 M 7.81 3.81 0.00 1.95 2.36 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.55 0.00 119 T 7.58 4.26 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 1.33 0.00 0.00 120 H 7.75 3.80 0.00 3.35 3.34 0.00 5.57 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 N 8.27 4.52 0.00 2.67 2.66 0.00 0.00 7.09 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 0.00 122 P 0.00 4.65 0.00 2.11 1.97 0.00 3.76 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 123 P 0.00 5.04 0.00 2.20 2.26 0.00 3.12 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 124 I 8.87 4.26 1.91 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 1.47 0.91 0.73 0.00 0.00 125 P 0.00 4.61 0.00 2.22 2.20 0.00 3.71 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.06 0.00 126 V 7.79 3.37 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 0.49 0.00 0.00 1.07 0.00 0.00 127 G 7.86 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 0.00 0.00 0.00 128 E 8.02 3.93 0.00 2.07 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 2.36 2.32 0.00 129 I 7.66 3.40 1.37 0.00 0.00 0.62 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 0.02 0.00 0.00 130 Y 7.28 3.49 0.00 2.69 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 0.00 131 K 8.04 3.81 0.00 1.86 1.95 0.00 1.57 0.00 0.00 1.39 0.00 0.00 2.83 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.60 7.81 132 R 7.72 4.01 0.00 2.06 2.09 0.00 3.23 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.74 0.00 133 W 7.96 4.45 0.00 3.63 3.17 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 0.00 134 I 7.98 3.58 1.77 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.37 0.25 0.00 0.00 135 I 7.86 3.66 2.04 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 1.61 0.81 0.95 0.00 0.00 136 L 8.15 4.11 0.00 1.93 1.75 1.02 0.95 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 0.00 137 G 8.22 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 0.00 0.00 0.00 138 L 8.12 3.93 0.00 1.76 1.73 0.55 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 139 N 8.40 4.33 0.00 2.98 2.88 0.00 0.00 6.60 8.03 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 0.00 140 K 7.93 3.95 0.00 1.84 1.97 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.46 7.81 141 I 7.75 3.73 1.69 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.50 -0.04 0.00 0.00 142 V 8.09 3.88 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 1.07 0.00 0.00 1.16 0.00 0.00 143 R 8.00 4.09 0.00 1.98 2.19 0.00 3.31 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 144 M 7.74 4.05 0.00 2.12 1.95 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.06 0.00 145 Y 8.27 4.41 0.00 3.21 3.13 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 0.00 0.00 0.00 146 S 8.59 4.29 0.00 3.93 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