NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 R 4.3159 8.2393 120.8609 56.3569 30.8674 174.1704 7 S 4.4413 8.0995 119.8543 55.6084 65.6763 172.9012 8 S 4.3805 8.5174 114.1214 59.3823 63.1653 176.0553 9 T 3.3902 8.5550 108.1188 62.8621 68.4419 171.9709 10 G 3.9870 8.2146 108.7345 46.8637 0.0000 174.9190 11 F 4.8207 8.0567 127.7658 58.0362 38.9878 175.1217 12 L 4.0717 7.4836 120.2494 53.0951 42.4760 176.7782 13 V 3.6898 7.8084 120.5300 61.8774 31.8618 177.2373 14 K 4.2638 8.4251 122.0650 55.8176 34.0344 178.1275 15 Q 3.8521 8.5214 122.2190 59.5348 29.0286 178.9895 16 R 3.9903 8.0996 116.2707 59.0719 29.3339 178.6075 17 A 4.0669 8.0257 121.1796 54.9752 18.4232 178.7685 18 F 3.9378 8.1795 119.3199 61.6706 39.2813 177.4283 19 L 4.1998 8.5634 118.4301 57.9235 41.4752 179.3676 20 K 3.9111 8.7241 118.8981 60.0466 32.0843 178.2531 21 L 3.7183 8.3189 119.9293 58.9717 41.7846 178.3492 22 Y 4.0377 8.0034 115.6792 61.6237 38.0068 179.0659 23 M 4.0715 8.4675 119.4228 58.4642 32.2164 178.7783 24 I 3.8218 7.9636 119.8286 64.8916 37.5204 178.6756 25 T 4.3148 7.8573 117.6727 66.5688 68.3080 176.8051 26 M 4.2320 8.2947 120.5828 58.5556 31.6885 178.8497 27 T 4.0309 8.0687 117.0879 66.0687 68.6855 175.7330 28 E 4.3305 8.1784 119.9823 59.3958 29.2886 178.9716 29 Q 4.3666 7.4911 114.7445 55.7922 30.5071 174.9867 30 E 4.7088 8.3583 118.9839 54.1325 33.2766 173.2870 31 R 4.4791 8.3901 121.7669 55.2542 31.0492 175.2535 32 L 5.1057 8.5814 124.8974 53.1529 46.5742 174.5263 33 Y 5.3739 7.7936 117.8541 54.6576 41.9676 175.9430 34 G 3.6416 9.6738 105.0128 48.4904 0.0000 175.6039 35 L 3.9530 8.1871 121.1986 56.9998 41.6909 179.0972 36 K 3.5651 7.0915 119.1986 59.0911 31.9153 177.9884 37 L 3.8003 7.8012 120.1480 58.2287 42.0021 179.0356 38 L 3.8166 7.9915 120.1439 58.3470 41.9950 178.9400 39 E 3.9186 8.0669 118.4399 59.1919 29.2789 179.3665 40 V 3.5206 8.0220 118.7372 66.0200 31.5586 178.1788 41 L 3.9275 8.0992 118.7976 57.7494 41.2588 179.4180 42 R 3.7725 8.1547 117.1113 59.5920 30.3297 178.6152 43 S 4.1042 8.1817 112.6133 61.2535 62.1901 175.4605 44 E 3.6638 8.0373 121.8792 59.2468 29.5702 178.4741 45 F 4.5699 8.3257 116.3436 58.9291 39.5765 178.9738 46 K 4.4065 7.6730 119.0903 59.8322 32.5373 176.3286 47 E 3.9943 8.2461 118.9427 58.5049 30.2142 177.3249 48 I 3.7372 7.8095 120.6782 64.9024 37.4674 176.9111 49 G 4.1115 8.0234 106.0887 45.2440 0.0000 172.8753 50 F 4.7125 8.2363 122.4775 56.5298 39.6834 175.5794 51 K 4.0924 8.2582 127.9893 53.7899 32.4316 173.9404 52 P 4.3644 0.0000 0.0000 62.8599 31.9078 176.7064 53 N 4.8168 8.2310 117.9780 51.7800 40.7158 175.7279 54 H 4.1415 8.5066 115.9846 59.0354 28.8710 177.4711 55 T 3.9569 7.4843 115.2278 64.3471 67.1772 175.8074 56 E 3.8796 9.2354 122.1344 59.1926 29.6501 178.5674 57 V 3.5317 7.2901 117.5573 66.6408 31.5648 177.7022 58 Y 4.2846 8.0216 115.8630 60.8384 37.6019 178.4252 59 R 3.9514 8.1024 119.3827 59.1844 30.3708 178.7358 60 S 4.1628 8.1096 114.8031 61.9633 62.9586 177.1112 61 L 3.7543 8.0584 121.2833 58.2979 41.3134 179.5126 62 H 4.5358 8.0541 115.4931 58.5387 28.4439 177.4973 63 E 3.9596 8.3824 120.9374 59.4983 29.3199 179.0403 64 L 3.3967 7.8867 118.4077 58.0023 41.5770 179.9919 65 L 4.2340 7.9010 118.8543 58.1449 41.5296 179.2418 66 D 4.1764 8.1630 117.7082 57.1578 40.6371 177.8935 67 D 4.5896 9.1736 119.2034 54.2020 39.5659 177.4576 68 G 4.3831 8.7196 108.7301 46.4485 0.0000 175.9198 69 I 3.8723 7.5417 121.9033 63.8136 37.8346 176.0866 70 L 5.5099 8.1143 119.0746 52.7536 44.9609 175.6423 71 K 4.8552 9.0772 118.3321 55.3989 36.2351 175.9146 72 Q 4.2934 8.6752 120.2172 55.8645 30.1776 175.8941 73 I 4.3121 8.9210 122.8293 59.6342 40.6380 175.1104 74 K 4.2509 8.7139 127.9827 55.7117 31.5439 176.4229 75 V 4.5698 8.1691 119.7580 59.3326 35.6311 174.8806 76 K 5.2882 8.1512 115.4442 54.1072 32.6201 174.0758 77 K 4.2220 8.0232 121.1263 55.7369 34.1568 174.2460 78 E 4.1494 9.1254 124.4873 55.0101 30.0690 176.0790 79 G 4.2040 8.8682 115.8153 45.8135 0.0000 174.5171 80 A 4.8419 7.5946 123.1944 50.4209 20.5241 175.7692 81 K 4.3405 7.7599 119.7016 58.2531 34.4905 176.0528 82 L 4.2205 8.2120 119.4446 55.2486 42.6462 174.4811 83 Q 4.3732 8.0230 125.7468 54.2678 31.8809 173.1559 84 E 4.4394 8.7691 125.8025 56.6511 30.2203 176.7329 85 V 4.1946 8.5826 117.4630 59.4887 36.0148 175.2619 86 V 4.1712 8.1741 124.0346 61.1008 31.2337 174.7704 87 L 4.6322 8.5397 126.9958 54.6802 42.9225 175.4215 88 Y 5.3016 8.9719 120.5701 56.4676 40.1674 174.8702 89 Q 4.6561 8.7645 120.0777 53.8061 32.7337 174.3811 90 F 4.6907 8.5815 118.2160 58.0603 39.0822 175.2555 91 K 4.2893 9.8679 126.5187 58.1234 32.9911 176.7901 92 D 4.7872 7.8432 123.1107 51.7522 41.9179 175.2529 93 Y 3.9071 8.4105 127.8116 59.9216 38.7504 177.1983 94 E 3.6276 8.1835 119.2206 59.2518 29.7120 178.4412 95 A 3.9310 8.3587 120.6611 55.3918 18.2528 179.5483 96 A 3.9431 7.7358 118.5991 55.3312 18.5669 179.6503 97 K 3.5318 7.5965 117.1959 59.5944 32.1253 179.1152 98 L 3.8563 8.0461 120.3796 58.4777 42.0786 178.3272 99 Y 4.2954 7.9802 119.4172 60.7339 38.6639 178.1053 100 K 3.7540 8.4177 121.0039 59.0935 32.2533 179.1129 101 K 3.8938 7.9546 118.9403 59.3658 32.0075 178.9522 102 Q 3.9674 8.0083 118.3826 59.4069 28.6774 179.7260 103 L 4.0574 7.7305 119.2540 57.0807 41.4342 179.5964 104 K 3.7837 7.8244 120.0152 59.3794 32.1848 178.7617 105 V 3.5243 7.5967 118.4249 66.1185 31.3010 177.5066 106 E 3.9007 8.4792 118.3978 59.7444 29.3115 179.4485 107 L 3.9478 8.0494 118.7425 57.8223 41.6309 179.5016 108 D 4.2913 8.3818 119.1610 57.4142 40.8506 178.7063 109 R 3.8947 7.8674 118.4285 59.5753 30.1345 179.0269 110 S 3.9558 8.1639 114.8057 61.5118 62.8144 176.5815 111 K 3.7838 8.2424 122.3329 59.5839 31.8965 178.5289 112 K 3.8480 7.8889 118.3776 59.6577 32.0129 178.7894 113 L 3.9192 8.2731 119.1457 58.1891 41.5193 179.6535 114 I 3.6944 7.6227 119.0614 64.7490 37.0163 178.5064 115 E 3.9983 8.6054 119.5929 58.9798 29.1325 179.4842 116 K 3.9414 8.5519 120.0435 59.4537 32.3549 178.6362 117 A 3.9778 8.3818 121.5204 55.3112 16.7835 179.4082 118 L 4.2691 8.4226 118.7120 57.6351 41.8465 179.0785 119 S 4.1656 7.4659 112.7757 61.1674 62.6614 175.3896 120 D 4.4620 7.9506 120.0355 57.7075 40.7758 178.4936 121 N 4.2623 7.8447 114.8976 54.7993 38.5621 175.3762 122 F 4.5958 7.2674 121.7775 57.5625 39.8289 174.6159 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 6 R 8.24 4.32 0.00 1.79 1.93 0.00 3.18 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 7 S 8.10 4.44 0.00 4.05 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 8 S 8.52 4.38 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 9 T 8.55 3.39 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 10 G 8.21 3.99 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 0.00 11 F 8.06 4.82 0.00 2.87 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 12 L 7.48 4.07 0.00 1.29 1.29 0.53 0.50 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 13 V 7.81 3.69 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 0.72 0.00 0.00 1.02 0.00 0.00 14 K 8.43 4.26 0.00 1.84 1.80 0.00 1.73 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.57 1.48 7.81 15 Q 8.52 3.85 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.89 0.00 0.00 0.00 0.00 0.00 2.33 2.15 0.00 16 R 8.10 3.99 0.00 2.19 2.24 0.00 3.15 0.00 0.00 3.60 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.82 0.00 17 A 8.03 4.07 1.44 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 0.00 0.00 0.00 18 F 8.18 3.94 0.00 3.19 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 19 L 8.56 4.20 0.00 1.82 1.80 1.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.72 3.91 0.00 2.05 2.21 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.54 1.72 7.81 21 L 8.32 3.72 0.00 1.56 1.60 0.73 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 8.00 4.04 0.00 3.20 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 23 M 8.47 4.07 0.00 2.02 2.26 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 2.58 2.48 0.00 24 I 7.96 3.82 2.13 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.18 1.12 0.00 0.00 25 T 7.86 4.31 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 1.21 0.00 0.00 26 M 8.29 4.23 0.00 2.08 2.31 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.60 0.00 27 T 8.07 4.03 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 0.43 0.00 0.00 28 E 8.18 4.33 0.00 2.42 2.13 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 2.57 2.96 0.00 29 Q 7.49 4.37 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.71 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 30 E 8.36 4.71 0.00 1.93 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 2.19 2.27 0.00 31 R 8.39 4.48 0.00 1.89 1.87 0.00 3.26 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 32 L 8.58 5.11 0.00 1.60 1.45 0.88 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 33 Y 7.79 5.37 0.00 3.22 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 34 G 9.67 3.64 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 0.00 0.00 0.00 35 L 8.19 3.95 0.00 2.00 1.91 0.95 0.72 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 36 K 7.09 3.57 0.00 0.79 0.95 0.00 1.50 0.00 0.00 1.57 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.20 1.31 7.81 37 L 7.80 3.80 0.00 1.71 1.70 0.94 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.99 3.82 0.00 1.63 1.70 0.84 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.07 3.92 0.00 2.15 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 2.44 2.44 0.00 40 V 8.02 3.52 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 1.08 0.00 0.00 0.89 0.00 0.00 41 L 8.10 3.93 0.00 1.78 1.68 0.91 0.98 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 42 R 8.15 3.77 0.00 1.86 1.93 0.00 3.27 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 43 S 8.18 4.10 0.00 3.84 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 44 E 8.04 3.66 0.00 2.03 1.59 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 1.88 2.20 0.00 45 F 8.33 4.57 0.00 3.17 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 46 K 7.67 4.41 0.00 2.01 1.79 0.00 1.79 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.49 7.81 47 E 8.25 3.99 0.00 1.97 1.91 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 2.31 2.34 0.00 48 I 7.81 3.74 2.23 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.61 1.05 0.00 0.00 49 G 8.02 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 0.00 0.00 0.00 0.00 50 F 8.24 4.71 0.00 2.64 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 8.26 4.09 0.00 1.74 1.67 0.00 1.60 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.26 1.34 7.81 52 P 0.00 4.36 0.00 2.08 1.84 0.00 3.17 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.39 0.00 53 N 8.23 4.82 0.00 3.02 2.99 0.00 0.00 5.76 7.90 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 54 H 8.51 4.14 0.00 3.30 3.55 0.00 5.46 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 T 7.48 3.96 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 1.13 0.00 0.00 56 E 9.24 3.88 0.00 2.18 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 2.54 2.40 0.00 57 V 7.29 3.53 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 0.80 0.00 0.00 0.89 0.00 0.00 58 Y 8.02 4.28 0.00 3.10 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 59 R 8.10 3.95 0.00 2.19 2.01 0.00 3.20 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.84 0.00 60 S 8.11 4.16 0.00 3.99 3.99 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 61 L 8.06 3.75 0.00 1.88 1.55 0.74 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 62 H 8.05 4.54 0.00 3.30 3.39 0.00 5.64 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.38 3.96 0.00 2.19 1.97 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 2.35 2.60 0.00 64 L 7.89 3.40 0.00 1.84 1.75 0.91 0.51 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 65 L 7.90 4.23 0.00 2.01 1.80 1.13 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.16 4.18 0.00 2.74 2.74 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 67 D 9.17 4.59 0.00 2.50 2.59 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 68 G 8.72 4.38 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 69 I 7.54 3.87 2.05 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 1.29 0.80 1.16 0.00 0.00 70 L 8.11 5.51 0.00 1.60 1.79 0.78 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 71 K 9.08 4.86 0.00 1.79 1.91 0.00 1.37 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.45 7.81 72 Q 8.68 4.29 0.00 1.89 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.87 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 73 I 8.92 4.31 1.90 0.00 0.00 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 1.21 1.23 0.89 0.00 0.00 74 K 8.71 4.25 0.00 1.59 1.73 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.73 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.37 7.81 75 V 8.17 4.57 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 0.77 0.00 0.00 0.88 0.00 0.00 76 K 8.15 5.29 0.00 1.64 1.64 0.00 1.76 0.00 0.00 0.61 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.31 7.81 77 K 8.02 4.22 0.00 1.72 1.68 0.00 1.90 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.49 7.81 78 E 9.13 4.15 0.00 1.95 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 2.17 2.46 0.00 79 G 8.87 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 80 A 7.59 4.84 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 81 K 7.76 4.34 0.00 1.80 1.77 0.00 1.63 0.00 0.00 1.79 0.00 0.00 2.79 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.29 1.35 7.81 82 L 8.21 4.22 0.00 1.55 1.57 0.96 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 8.02 4.37 0.00 2.04 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.50 6.87 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 84 E 8.77 4.44 0.00 1.84 1.82 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 2.26 2.29 0.00 85 V 8.58 4.19 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 -0.21 0.00 0.00 0.70 0.00 0.00 86 V 8.17 4.17 1.91 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 0.53 0.00 0.00 0.86 0.00 0.00 87 L 8.54 4.63 0.00 1.67 1.62 0.95 1.09 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 88 Y 8.97 5.30 0.00 2.72 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.76 4.66 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.01 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 90 F 8.58 4.69 0.00 3.06 3.09 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 91 K 9.87 4.29 0.00 1.85 2.21 0.00 1.99 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.44 7.81 92 D 7.84 4.79 0.00 2.69 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 93 Y 8.41 3.91 0.00 2.80 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.18 3.63 0.00 2.14 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 2.33 2.35 0.00 95 A 8.36 3.93 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 96 A 7.74 3.94 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 97 K 7.60 3.53 0.00 1.62 1.68 0.00 1.29 0.00 0.00 0.61 0.00 0.00 2.78 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.25 1.01 7.81 98 L 8.05 3.86 0.00 2.00 1.75 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 7.98 4.30 0.00 2.98 3.10 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 0.00 100 K 8.42 3.75 0.00 1.88 1.85 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.36 7.81 101 K 7.95 3.89 0.00 1.99 1.79 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.65 7.81 102 Q 8.01 3.97 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.69 0.00 103 L 7.73 4.06 0.00 1.48 1.46 -0.07 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 104 K 7.82 3.78 0.00 1.79 1.93 0.00 1.47 0.00 0.00 1.50 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.44 7.81 105 V 7.60 3.52 2.20 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 0.95 0.00 0.00 0.90 0.00 0.00 106 E 8.48 3.90 0.00 2.06 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 2.30 2.46 0.00 107 L 8.05 3.95 0.00 1.83 1.69 0.79 1.23 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 0.00 108 D 8.38 4.29 0.00 2.85 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 0.00 109 R 7.87 3.89 0.00 1.97 1.95 0.00 3.14 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 110 S 8.16 3.96 0.00 4.02 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 0.00 111 K 8.24 3.78 0.00 1.78 2.00 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.50 7.81 112 K 7.89 3.85 0.00 2.05 1.84 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.49 7.81 113 L 8.27 3.92 0.00 1.67 1.64 0.73 0.92 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 0.00 114 I 7.62 3.69 1.96 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.57 0.92 0.00 0.00 115 E 8.61 4.00 0.00 2.18 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 0.00 2.34 2.32 0.00 116 K 8.55 3.94 0.00 1.84 1.94 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.46 7.81 117 A 8.38 3.98 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 0.00 118 L 8.42 4.27 0.00 2.08 1.76 0.95 1.01 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 0.00 119 S 7.47 4.17 0.00 4.00 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 0.00 120 D 7.95 4.46 0.00 2.63 2.67 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 0.00 0.00 0.00 0.00 121 N 7.84 4.26 0.00 2.07 2.05 0.00 0.00 6.93 7.61 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 0.00 122 F 7.27 4.60 0.00 3.17 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