NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9115 8.3549 109.7372 44.6755 0.0000 172.6684 3 D 4.4832 8.5893 115.5900 51.9410 41.3445 173.6367 4 K 3.8400 9.5089 122.3056 57.6533 33.7158 174.8647 5 P 4.5491 0.0000 0.0000 61.7016 33.5900 177.4456 6 I 3.5803 8.2765 120.2571 64.3637 37.9209 178.1221 7 A 3.8351 7.9039 120.9599 55.1406 18.2476 179.0310 8 E 3.7600 8.0554 117.2862 59.2671 29.7677 178.6553 9 Q 3.8625 8.2126 119.7215 59.2750 29.1960 178.3130 10 I 3.5355 8.0189 121.2579 64.1669 37.0224 178.3673 11 G 3.4684 8.2890 107.1524 47.9422 0.0000 175.6079 12 S 4.4635 7.7256 118.5876 60.4114 62.8502 176.6836 13 S 4.1046 8.0137 118.7473 61.1438 62.5741 176.4103 14 F 3.9544 8.1152 123.2067 61.2740 39.0317 176.8960 15 I 3.5240 7.8922 119.3885 64.5658 37.0095 177.7012 16 Q 4.0357 8.1463 119.9841 59.7560 28.7312 178.1546 17 H 3.9961 8.2675 118.7543 59.5040 29.8276 176.0013 18 Y 3.6319 7.6713 121.4151 61.3686 38.3375 178.2383 19 Y 3.9956 8.1645 117.1704 60.5397 37.7174 178.2198 20 Q 3.9613 7.8492 120.2094 59.0588 29.5300 177.8885 21 L 3.9865 7.8745 120.1592 57.6859 41.4438 178.8940 22 F 3.6251 7.6911 119.3295 61.7599 39.3079 176.9401 23 D 4.6486 8.5254 116.4400 56.6029 40.6172 177.4811 24 N 4.9631 8.0508 116.0668 53.4553 39.5765 175.4650 25 D 4.4663 7.3841 126.4865 52.3865 42.5080 175.7584 26 R 3.7239 8.1678 123.6328 57.9570 29.8553 178.7427 27 T 3.9597 7.5776 107.7136 63.4601 69.1540 174.8648 28 Q 4.4170 7.4120 120.1488 55.9477 28.9129 176.5629 29 L 4.1406 7.7166 120.0321 56.5397 42.2188 179.4903 30 G 3.8017 8.2290 107.6632 48.2550 0.0000 175.3181 31 A 4.0802 8.2281 122.3171 55.1595 18.4724 178.6323 32 I 3.9349 7.7538 108.2578 62.8770 38.0862 175.5448 33 Y 5.0991 7.8838 119.0727 56.4383 39.9595 174.7261 34 I 4.8652 8.5103 115.6327 59.2902 40.6574 175.7182 35 D 4.3335 8.7107 118.0998 57.7330 40.7567 177.8644 36 A 4.3775 7.9116 118.7375 52.8372 19.1887 177.4656 37 S 4.5963 8.2127 113.8380 58.8045 64.3229 173.1776 38 C 5.2437 9.1550 121.4531 57.9510 30.9919 172.5094 39 L 5.2180 9.1372 126.8252 53.6567 44.3221 175.0012 40 T 5.0839 9.1311 123.2750 61.8007 71.1131 173.2031 41 W 5.1083 9.5715 135.0000 55.5068 32.9445 175.2035 42 E 3.5204 9.8929 130.0207 57.5815 26.7236 176.6012 43 G 4.0473 8.5123 106.4593 45.6911 0.0000 174.1487 44 Q 4.3265 8.0148 119.4605 54.8501 29.9388 174.4634 45 Q 4.9562 8.1027 120.8112 54.2570 30.8060 174.9385 46 F 4.6846 9.5294 123.9769 55.6227 41.7740 174.1593 47 Q 4.8174 8.9708 125.4778 55.5116 30.6664 175.5229 48 G 4.5187 9.5023 112.9704 45.9628 0.0000 173.7979 49 K 3.7647 8.8498 122.3216 59.7700 32.1147 178.8282 50 A 3.9408 8.0284 119.7527 55.2169 18.3180 179.3208 51 A 4.0046 7.9415 118.7397 55.2212 18.5113 179.8108 52 I 3.4103 7.8607 118.5203 64.4420 37.0364 178.8769 53 V 3.4801 7.8907 119.2979 65.6824 31.3046 177.8013 54 E 3.7465 7.8977 118.7405 58.8580 29.2725 178.4221 55 K 3.3505 7.4505 118.5181 59.4605 31.9741 178.2382 56 L 3.5625 7.4254 118.8702 57.8782 41.2864 179.8882 57 S 3.9719 7.8265 114.2663 61.1224 62.7987 176.2807 58 S 4.1504 7.5985 115.1333 58.6890 63.5128 174.7169 59 L 3.9018 6.4772 121.8537 54.8227 42.3819 176.1640 60 P 4.6013 0.0000 0.0000 61.3128 30.2873 175.1410 61 F 5.3208 6.8186 112.3667 54.9668 41.5530 175.0693 62 Q 4.4937 9.1871 120.2238 56.4351 30.3779 176.5069 63 K 4.8717 8.2337 116.3128 54.6051 36.1498 175.4154 64 I 4.9408 8.4789 123.3626 59.3405 41.7473 173.9288 65 Q 4.8312 8.8772 127.5022 54.9490 32.3183 173.3465 66 H 5.5790 9.4891 123.4177 54.1667 31.9535 174.2002 67 S 4.5399 9.1073 115.5569 56.9863 66.1838 172.8969 68 I 4.2369 8.4032 126.1764 60.8827 37.2380 175.8045 69 T 4.3082 8.5203 124.0227 65.3709 70.2979 174.7421 70 A 5.0961 8.4184 121.9248 50.5418 23.3207 175.6710 71 Q 4.9077 8.4918 118.0107 55.1815 32.1440 172.9951 72 D 4.9357 9.0507 123.9169 52.5382 44.1325 174.6324 73 H 5.4490 8.7182 119.7020 54.1997 32.1618 173.1638 74 Q 4.7469 8.8698 120.4006 53.6198 33.4253 172.6557 75 P 4.9593 0.0000 0.0000 63.1823 32.5509 175.5012 76 T 4.5971 8.6453 112.0691 59.3751 71.4228 173.7081 77 P 4.2386 0.0000 0.0000 65.4896 31.4025 177.5152 78 D 4.5192 8.0058 115.3047 54.8816 41.0177 176.8609 79 S 4.2945 8.4085 114.9401 58.7938 60.8522 168.5954 80 C 4.9112 7.8081 119.0679 59.0810 30.5509 172.2147 81 I 4.8707 8.8172 120.1736 59.6982 39.9969 174.8364 82 I 4.9088 8.8485 127.5099 59.3235 40.5274 174.2603 83 S 5.3554 9.3334 124.9026 56.9161 66.7323 172.4542 84 M 5.0040 8.9455 124.1034 53.7367 34.6545 174.2401 85 V 4.9109 9.2764 126.6646 61.0997 34.3620 174.2248 86 V 4.3744 8.0399 127.2413 61.2615 34.0241 174.2032 87 G 4.2490 7.3230 114.5493 45.9592 0.0000 171.6411 88 Q 5.5249 8.8234 119.8623 54.4169 33.7494 174.3857 89 L 5.0250 8.8037 119.4612 54.5509 44.6489 175.0389 90 K 4.6732 8.9097 121.0893 54.9412 35.0176 174.3880 91 A 4.9256 8.5430 129.5974 50.4566 21.0863 176.0992 92 D 4.5354 9.4420 122.1490 55.9209 41.1014 175.1779 93 E 4.5298 8.7967 123.4497 57.0687 30.1652 175.4303 94 D 4.6977 8.2370 119.2433 52.5427 41.8156 174.5433 95 P 4.4856 0.0000 0.0000 62.7121 31.7746 176.0003 96 I 4.2013 8.0824 120.0041 61.7715 37.8641 175.6281 97 M 4.8523 9.0676 125.4891 53.2597 36.0229 175.4338 98 G 4.1933 8.7059 109.9071 46.3328 0.0000 172.1122 99 F 5.5301 8.7890 116.5142 55.1723 42.4167 172.9438 100 H 5.2209 8.8808 113.7437 54.0314 31.7450 172.2222 101 Q 4.9846 9.4319 122.9537 54.5097 33.0293 173.0911 102 M 5.1893 8.6771 124.6383 53.7640 35.7736 174.1527 103 F 5.3854 9.3155 123.3011 55.6593 43.7256 173.2829 104 L 5.0949 9.1056 125.4190 53.4377 44.0617 174.8144 105 L 5.2148 9.2555 126.8238 52.9524 44.4822 175.5223 106 K 4.9017 9.3043 123.7274 54.6864 36.0815 174.7840 107 N 4.5358 8.3408 125.4633 52.3221 39.2542 173.9259 108 I 4.2432 8.5346 128.1210 60.3931 39.9926 176.1192 109 N 4.0396 9.4513 124.2439 55.2021 36.3155 174.1985 110 D 4.1428 7.6733 112.4404 54.2517 38.9803 175.0660 111 A 4.3205 7.1052 116.1648 50.6804 23.7894 177.2421 112 W 4.7067 8.9186 123.6986 56.9887 29.6200 176.1945 113 V 4.6189 9.1137 118.6269 59.4002 35.5173 174.6971 114 C 4.8174 8.9276 124.9381 59.3599 31.4400 173.2233 115 T 4.4584 9.0827 117.7470 63.3743 70.4322 174.6346 116 N 5.5941 8.2147 119.0242 51.1214 42.2393 173.1794 117 D 5.2588 9.4561 122.7677 52.8340 45.3087 174.0188 118 M 5.2426 8.7752 124.2489 53.7820 35.9347 173.8269 119 F 5.0982 9.4245 126.9870 56.3099 42.5967 174.3780 120 R 4.6051 7.8844 125.4776 54.5631 33.2865 174.4140 121 L 4.3539 10.7439 126.0791 54.1093 42.4826 176.9775 122 A 4.0765 8.5252 123.6934 52.6700 18.5313 178.1008 123 L 4.2462 8.5683 119.1529 55.7164 42.5114 176.5269 124 H 4.9991 7.9436 117.3672 54.0609 33.6145 173.0991 125 N 4.8884 7.5764 122.6273 52.3664 36.9497 176.8210 126 F 4.2826 8.4968 116.3344 57.9596 40.2831 174.2100 127 G 3.6565 7.8926 115.5323 45.7622 0.0000 171.0068 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 2 G 8.35 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 3 D 8.59 4.48 0.00 2.82 2.89 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 4 K 9.51 3.84 0.00 1.73 1.79 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.69 1.51 7.81 5 P 0.00 4.55 0.00 2.15 1.95 0.00 3.75 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 2.10 2.13 0.00 6 I 8.28 3.58 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 1.55 1.50 0.92 0.00 0.00 7 A 7.90 3.84 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 8 E 8.06 3.76 0.00 2.05 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 2.37 2.44 0.00 9 Q 8.21 3.86 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 10 I 8.02 3.54 1.30 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 1.08 0.31 -0.37 0.00 0.00 11 G 8.29 3.47 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 0.00 0.00 0.00 12 S 7.73 4.46 0.00 4.07 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 13 S 8.01 4.10 0.00 3.96 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 14 F 8.12 3.95 0.00 3.05 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 15 I 7.89 3.52 2.15 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.02 1.27 0.00 0.00 16 Q 8.15 4.04 0.00 2.32 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.26 0.00 17 H 8.27 4.00 0.00 3.18 3.22 0.00 5.87 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 18 Y 7.67 3.63 0.00 1.96 2.41 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 19 Y 8.16 4.00 0.00 3.13 2.99 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 20 Q 7.85 3.96 0.00 2.09 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.95 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 21 L 7.87 3.99 0.00 1.60 1.44 0.81 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 22 F 7.69 3.63 0.00 2.61 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 23 D 8.53 4.65 0.00 2.75 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 24 N 8.05 4.96 0.00 2.74 2.82 0.00 0.00 6.66 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 25 D 7.38 4.47 0.00 2.63 2.42 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 26 R 8.17 3.72 0.00 1.19 1.77 0.00 2.39 0.00 0.00 3.13 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.23 0.00 27 T 7.58 3.96 4.14 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 1.05 0.00 0.00 28 Q 7.41 4.42 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.03 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 29 L 7.72 4.14 0.00 1.80 1.78 0.56 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.23 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 31 A 8.23 4.08 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 32 I 7.75 3.93 1.99 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 1.14 -0.06 0.88 0.00 0.00 33 Y 7.88 5.10 0.00 3.18 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 34 I 8.51 4.87 1.93 0.00 0.00 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 1.41 0.95 0.97 0.00 0.00 35 D 8.71 4.33 0.00 2.76 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.91 4.38 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 37 S 8.21 4.60 0.00 3.96 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 38 C 9.15 5.24 0.00 3.04 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 39 L 9.14 5.22 0.00 1.73 1.64 1.34 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 40 T 9.13 5.08 4.33 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 1.29 0.00 0.00 41 W 9.57 5.11 0.00 3.65 3.29 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 0.00 42 E 9.89 3.52 0.00 2.36 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 2.24 2.56 0.00 43 G 8.51 4.05 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 44 Q 8.01 4.33 0.00 2.64 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 45 Q 8.10 4.96 0.00 1.75 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.73 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 46 F 9.53 4.68 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 47 Q 8.97 4.82 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.59 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 48 G 9.50 4.52 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 0.00 0.00 0.00 49 K 8.85 3.76 0.00 1.90 1.89 0.00 2.00 0.00 0.00 1.88 0.00 0.00 3.04 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.57 1.66 7.81 50 A 8.03 3.94 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 51 A 7.94 4.00 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 0.00 0.00 52 I 7.86 3.41 1.73 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.68 0.24 0.00 0.00 53 V 7.89 3.48 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 1.02 0.00 0.00 0.97 0.00 0.00 54 E 7.90 3.75 0.00 2.02 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 2.16 2.23 0.00 55 K 7.45 3.35 0.00 0.79 1.25 0.00 1.25 0.00 0.00 1.01 0.00 0.00 3.26 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.30 0.60 7.81 56 L 7.43 3.56 0.00 1.62 1.31 0.98 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.83 3.97 0.00 3.67 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 58 S 7.60 4.15 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 59 L 6.48 3.90 0.00 1.31 1.77 0.78 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 60 P 0.00 4.60 0.00 2.22 2.10 0.00 3.81 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 2.08 2.02 0.00 61 F 6.82 5.32 0.00 3.05 3.02 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 0.00 62 Q 9.19 4.49 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.62 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 63 K 8.23 4.87 0.00 1.71 1.69 0.00 1.64 0.00 0.00 1.78 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.46 7.81 64 I 8.48 4.94 0.90 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.72 1.12 0.00 0.00 65 Q 8.88 4.83 0.00 2.13 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.50 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 66 H 9.49 5.58 0.00 2.90 3.07 0.00 5.86 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 9.11 4.54 0.00 3.81 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 68 I 8.40 4.24 1.85 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.80 0.93 0.00 0.00 69 T 8.52 4.31 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 1.15 0.00 0.00 70 A 8.42 5.10 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 0.00 0.00 0.00 0.00 0.00 71 Q 8.49 4.91 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 72 D 9.05 4.94 0.00 2.53 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 H 8.72 5.45 0.00 3.00 3.23 0.00 5.68 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 8.87 4.75 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.97 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 75 P 0.00 4.96 0.00 2.10 2.07 0.00 3.74 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 2.00 1.97 0.00 76 T 8.65 4.60 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 1.24 0.00 0.00 77 P 0.00 4.24 0.00 2.08 2.17 0.00 3.69 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 2.12 0.00 78 D 8.01 4.52 0.00 2.69 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 79 S 8.41 4.29 0.00 4.02 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 0.00 80 C 7.81 4.91 0.00 2.96 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 81 I 8.82 4.87 1.58 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 0.93 0.86 0.77 0.00 0.00 82 I 8.85 4.91 1.90 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 1.24 1.65 0.92 0.00 0.00 83 S 9.33 5.36 0.00 4.00 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 84 M 8.95 5.00 0.00 2.03 1.87 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 85 V 9.28 4.91 2.44 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 1.03 0.00 0.00 1.32 0.00 0.00 86 V 8.04 4.37 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 0.81 0.00 0.00 0.83 0.00 0.00 87 G 7.32 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 0.00 0.00 0.00 0.00 88 Q 8.82 5.52 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.62 0.00 0.00 0.00 0.00 0.00 2.24 2.22 0.00 89 L 8.80 5.02 0.00 1.53 1.51 0.85 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.91 4.67 0.00 1.85 1.66 0.00 1.57 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.40 7.81 91 A 8.54 4.93 1.10 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 0.00 0.00 0.00 0.00 0.00 92 D 9.44 4.54 0.00 3.01 1.83 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 93 E 8.80 4.53 0.00 1.92 1.92 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 2.21 2.24 0.00 94 D 8.24 4.70 0.00 2.74 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 95 P 0.00 4.49 0.00 2.20 2.09 0.00 3.79 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 2.01 2.01 0.00 96 I 8.08 4.20 1.89 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 1.35 0.55 0.97 0.00 0.00 97 M 9.07 4.85 0.00 2.00 1.94 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 2.52 2.53 0.00 98 G 8.71 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 99 F 8.79 5.53 0.00 2.74 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 0.00 100 H 8.88 5.22 0.00 3.15 3.16 0.00 5.22 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 Q 9.43 4.98 0.00 2.56 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.79 0.00 0.00 0.00 0.00 0.00 1.38 2.34 0.00 102 M 8.68 5.19 0.00 1.93 1.75 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.59 0.00 103 F 9.32 5.39 0.00 2.94 2.77 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 0.00 104 L 9.11 5.09 0.00 1.79 1.57 1.01 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 105 L 9.26 5.21 0.00 1.52 1.59 0.32 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 106 K 9.30 4.90 0.00 1.79 1.60 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.76 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.26 1.37 7.81 107 N 8.34 4.54 0.00 1.44 2.11 0.00 0.00 6.85 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 0.00 108 I 8.53 4.24 1.82 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 1.25 1.05 0.88 0.00 0.00 109 N 9.45 4.04 0.00 2.78 2.80 0.00 0.00 7.26 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 0.00 110 D 7.67 4.14 0.00 2.71 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 0.00 111 A 7.11 4.32 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 0.00 112 W 8.92 4.71 0.00 3.22 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 0.00 113 V 9.11 4.62 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 0.72 0.00 0.00 1.02 0.00 0.00 114 C 8.93 4.82 0.00 3.03 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 0.00 115 T 9.08 4.46 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 1.27 0.00 0.00 116 N 8.21 5.59 0.00 2.69 2.78 0.00 0.00 6.50 8.08 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 0.00 117 D 9.46 5.26 0.00 3.04 2.71 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 0.00 118 M 8.78 5.24 0.00 1.94 1.84 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 2.52 2.49 0.00 119 F 9.42 5.10 0.00 2.86 2.38 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 0.00 120 R 7.88 4.61 0.00 1.72 1.61 0.00 3.08 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.47 0.00 121 L 10.74 4.35 0.00 1.80 1.54 1.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 122 A 8.53 4.08 1.21 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 0.00 0.00 123 L 8.57 4.25 0.00 1.63 1.73 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 124 H 7.94 5.00 0.00 3.05 3.18 0.00 5.90 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 N 7.58 4.89 0.00 2.82 2.60 0.00 0.00 5.84 7.43 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 0.00 126 F 8.50 4.28 0.00 2.97 3.02 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 0.00 127 G 7.89 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