NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 M 4.3685 8.3049 120.3506 55.1539 33.3099 174.6738 1 D 4.5081 8.3644 122.5711 53.4761 42.2139 173.9404 2 I 4.4187 9.3916 122.4785 60.0982 39.9986 175.2844 3 I 4.8928 8.3730 126.8740 59.7521 39.8792 174.4505 4 L 4.8818 8.9839 127.5129 52.9402 45.1062 176.2043 5 G 4.5146 8.3523 107.3845 45.0935 0.0000 172.1065 6 I 4.6593 8.9716 124.0250 59.2706 41.7961 173.4708 7 R 4.8137 8.7205 130.1066 55.2719 30.5782 175.6210 8 V 4.3138 8.1054 125.7024 60.8977 32.8076 176.1805 9 Q 4.1693 8.9143 122.4134 60.0942 29.0680 178.8657 10 D 5.1151 7.4904 115.5775 53.6084 42.3207 175.2265 11 S 4.6708 7.3875 111.4885 58.0459 64.9008 174.6215 12 V 4.9059 8.4062 120.1212 61.1370 33.9996 174.3524 13 I 4.5962 9.0173 128.0662 59.4484 39.8996 174.3850 14 L 5.2203 8.6145 125.7629 52.7849 44.4081 175.5587 15 A 4.8132 8.8693 125.1608 50.1958 21.9098 175.1697 16 S 5.1018 8.4665 117.6157 56.3090 66.5899 174.3317 17 S 4.2700 8.7444 119.8049 59.1413 63.0481 174.6008 18 K 4.8045 8.9626 119.1789 56.2870 33.5007 176.3182 19 A 4.5425 7.9480 122.2683 51.7757 19.5388 177.5497 20 V 4.2411 8.7855 120.9879 61.5625 33.8908 173.9102 21 T 4.8989 8.4443 124.0096 61.9936 70.0817 175.4996 22 R 4.4637 9.0673 125.1864 54.3234 32.5183 178.4945 23 G 3.8352 8.9923 116.6060 46.4832 0.0000 172.6938 24 I 4.0569 8.9906 124.3159 61.6156 39.4374 174.4263 25 S 4.6916 7.6185 115.0927 56.4932 65.3207 173.5283 26 V 4.3763 8.1294 123.7646 61.5553 30.9252 175.7259 27 L 4.1854 8.5857 129.2631 57.0429 42.0186 177.5762 28 K 4.7068 7.6456 117.4541 55.1171 35.2568 175.2990 29 D 5.0943 8.5516 119.8849 52.9096 40.4172 175.5149 30 S 4.7466 7.7816 113.0184 58.2338 62.7196 173.2729 31 D 4.5657 8.4520 120.9645 54.7580 42.6483 174.7921 32 D 4.8117 8.6721 126.4196 52.1349 41.2738 176.8566 33 K 3.9721 7.7792 131.7285 55.0909 31.4881 176.3072 34 T 4.8444 6.8474 110.8149 60.9681 71.3121 173.7058 35 R 4.8007 9.1125 124.2794 54.4644 34.8223 174.1411 36 Q 4.5425 8.5639 123.6478 55.0171 29.6750 176.3033 37 L 4.0705 8.6656 128.3039 57.4307 42.2816 177.2266 38 S 4.5841 7.8316 110.4797 56.3373 65.2054 173.7582 39 P 4.3480 0.0000 0.0000 65.2369 30.8540 176.6609 40 H 4.9287 9.5457 114.3669 55.2519 29.5197 172.8112 41 T 5.0931 8.4674 117.2295 61.7782 72.3102 172.6995 42 L 5.1971 9.3003 128.3406 53.3377 45.7745 174.5950 43 M 5.4016 9.0796 124.9747 53.8687 35.3321 174.5359 44 S 5.1158 9.0069 121.0740 57.1920 66.0554 172.8245 45 F 5.5936 7.6413 114.1072 56.4101 40.9014 173.0755 46 A 4.6796 8.8973 120.4578 50.8753 22.6829 176.4243 47 G 3.7188 8.8112 106.2725 44.6589 0.0000 172.4418 48 E 3.8700 8.7565 123.5250 56.3636 29.7892 177.8553 49 A 3.9156 8.5210 127.4746 56.4161 19.0535 179.7644 50 G 3.7598 8.0759 100.0982 47.5847 0.0000 175.0628 51 D 4.6512 8.2793 121.0514 58.2517 40.8182 178.4838 52 T 3.6772 7.8272 114.3955 67.7761 68.4104 176.4424 53 V 3.1503 7.4270 118.8332 65.8936 31.9805 178.2436 54 Q 4.0217 7.8688 117.5726 58.9458 28.4978 178.8901 55 F 3.6972 8.4542 121.6126 60.9852 39.3324 176.9127 56 A 3.7548 7.5277 120.3436 55.4059 18.0517 179.5618 57 E 3.8623 8.4152 117.3178 59.5154 29.5474 179.0198 58 Y 4.0775 7.8281 119.4887 60.6190 38.8130 178.1645 59 I 3.3423 7.5401 120.8569 64.1381 37.0900 177.8580 60 Q 3.8496 8.1113 120.4133 59.3503 28.8371 178.2102 61 A 3.9339 8.1312 121.7508 55.5814 18.3403 179.4319 62 N 4.1720 7.7251 114.0878 56.4746 38.5314 177.8420 63 I 3.5786 7.7599 121.2858 64.3217 37.1239 178.5326 64 Q 3.9856 8.3305 119.3058 58.6476 28.4587 178.5853 65 L 3.8875 7.8208 121.5064 58.2566 42.1182 178.2852 66 Y 3.7925 8.0495 119.4878 60.7095 38.5997 178.1717 67 S 5.0899 8.2740 117.3591 61.3332 62.7938 176.8789 68 I 3.6849 7.4538 120.7172 64.3906 36.9494 178.1187 69 R 3.9439 7.8191 118.2003 59.0185 30.0137 177.5267 70 E 4.2087 8.0597 115.0681 54.9553 31.0946 175.1072 71 D 4.4366 8.1276 118.7158 54.2091 40.3306 171.8229 72 Y 4.5762 7.2562 117.6789 56.8212 42.0530 172.1953 73 E 4.6353 7.8020 125.4328 53.9007 30.5998 175.7556 74 L 4.1258 8.4710 126.7644 54.8025 42.3968 178.1250 75 S 4.3359 8.4410 116.7819 57.7554 64.9098 173.7214 76 P 4.1999 0.0000 0.0000 65.8097 31.1063 178.6665 77 Q 3.9422 8.0888 117.6159 59.2073 28.9628 178.2138 78 A 3.9791 7.9957 121.7334 55.1361 18.4327 179.7748 79 V 3.5635 8.0020 117.2111 66.1616 31.6249 178.4638 80 S 4.2548 8.5545 114.4356 61.4584 62.8355 176.7252 81 S 4.1797 8.1271 119.0034 61.2055 62.5671 176.2695 82 F 4.1965 8.3213 123.4892 61.4173 39.1780 177.4047 83 V 3.4905 7.9991 117.8799 65.7604 31.2733 178.0211 84 R 3.8538 8.1199 118.5681 59.3997 30.0897 178.0462 85 Q 3.9562 8.1008 119.3780 59.4071 28.9575 178.3916 86 E 3.9838 7.9467 119.2800 59.5708 29.6570 179.4651 87 L 3.9727 8.1036 118.7668 57.6178 41.4043 179.3940 88 A 4.0461 8.3112 120.4880 54.8335 18.4608 179.7362 89 K 4.0365 8.0426 116.9303 59.8417 32.2656 179.1857 90 S 3.9990 8.0371 113.3855 61.8932 61.9414 176.2712 90A I 3.7733 7.5739 119.4697 63.0550 37.6261 176.5482 90B R 4.5015 7.8066 117.1640 55.7078 30.3070 176.0064 91 S 4.5421 7.4544 114.3128 56.7639 64.8386 174.1053 92 R 3.8885 8.4234 119.7901 58.9632 29.7033 176.3829 93 R 4.3480 7.1445 118.5849 53.3845 30.8156 171.9862 94 P 4.2849 0.0000 0.0000 62.2509 31.9876 176.2157 95 Y 4.3672 8.8651 121.4470 58.5270 38.2835 176.8889 96 Q 4.4822 8.6681 125.8239 54.3165 27.7763 173.8338 97 V 4.8541 7.5594 119.8897 60.8380 35.3135 173.7496 98 N 5.1633 9.3597 124.6670 51.6511 41.4484 174.0399 99 V 5.1730 8.3893 114.6700 59.7144 36.4001 174.5714 100 L 4.8493 8.7741 121.7361 53.0583 44.9385 175.6295 101 I 4.7924 8.6276 124.1247 59.5061 39.6452 175.0105 102 G 4.1555 9.3845 115.6612 44.3966 0.0000 172.2687 103 G 4.6316 8.6516 111.4069 44.9562 0.0000 170.8707 104 Y 4.6058 8.5961 121.9681 55.3119 40.6015 175.2114 105 D 4.3641 8.1253 125.2145 54.4724 41.3887 175.6176 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 8.30 4.37 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.59 0.00 1 D 8.36 4.51 0.00 2.80 2.61 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 0.00 0.00 0.00 0.00 2 I 9.39 4.42 1.86 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 1.22 0.83 0.90 0.00 0.00 3 I 8.37 4.89 1.87 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.87 0.90 0.00 0.00 4 L 8.98 4.88 0.00 1.54 1.52 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 5 G 8.35 4.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.97 4.66 1.87 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 1.12 0.95 0.97 0.00 0.00 7 R 8.72 4.81 0.00 1.87 1.84 0.00 3.28 0.00 0.00 3.23 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 8 V 8.11 4.31 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 0.71 0.00 0.00 1.01 0.00 0.00 9 Q 8.91 4.17 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 7.52 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 10 D 7.49 5.12 0.00 2.67 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 11 S 7.39 4.67 0.00 3.94 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 12 V 8.41 4.91 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 0.86 0.00 0.00 0.98 0.00 0.00 13 I 9.02 4.60 1.87 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 1.23 0.69 0.91 0.00 0.00 14 L 8.61 5.22 0.00 1.46 1.52 0.91 0.75 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 15 A 8.87 4.81 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 16 S 8.47 5.10 0.00 3.61 3.61 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 0.00 0.00 0.00 0.00 17 S 8.74 4.27 0.00 3.87 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 18 K 8.96 4.80 0.00 1.73 1.90 0.00 1.93 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.25 7.81 19 A 7.95 4.54 1.22 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 0.00 0.00 20 V 8.79 4.24 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 1.00 0.00 0.00 0.96 0.00 0.00 21 T 8.44 4.90 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 1.22 0.00 0.00 22 R 9.07 4.46 0.00 1.74 1.82 0.00 3.37 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 23 G 8.99 3.84 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 0.00 0.00 0.00 24 I 8.99 4.06 1.87 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 1.42 0.90 0.91 0.00 0.00 25 S 7.62 4.69 0.00 3.93 3.71 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 26 V 8.13 4.38 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 0.85 0.00 0.00 0.93 0.00 0.00 27 L 8.59 4.19 0.00 1.69 1.72 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 28 K 7.65 4.71 0.00 1.73 1.59 0.00 1.67 0.00 0.00 1.88 0.00 0.00 3.09 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.43 7.81 29 D 8.55 5.09 0.00 2.76 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 30 S 7.78 4.75 0.00 3.82 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 31 D 8.45 4.57 0.00 2.76 2.69 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 0.00 0.00 0.00 0.00 32 D 8.67 4.81 0.00 2.71 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 33 K 7.78 3.97 0.00 1.59 1.42 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.53 1.42 7.81 34 T 6.85 4.84 4.07 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 1.30 0.00 0.00 35 R 9.11 4.80 0.00 1.86 1.81 0.00 3.39 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.77 0.00 36 Q 8.56 4.54 0.00 2.13 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.93 0.00 0.00 0.00 0.00 0.00 2.36 2.60 0.00 37 L 8.67 4.07 0.00 1.69 1.68 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 38 S 7.83 4.58 0.00 4.00 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 39 P 0.00 4.35 0.00 1.99 2.20 0.00 3.30 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 1.98 0.00 40 H 9.55 4.93 0.00 3.36 3.50 0.00 5.75 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.47 5.09 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 1.23 0.00 0.00 42 L 9.30 5.20 0.00 1.68 1.46 0.96 0.60 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 43 M 9.08 5.40 0.00 2.20 1.92 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.65 0.00 44 S 9.01 5.12 0.00 3.77 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 45 F 7.64 5.59 0.00 3.08 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 46 A 8.90 4.68 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 47 G 8.81 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 48 E 8.76 3.87 0.00 2.02 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 2.46 2.35 0.00 49 A 8.52 3.92 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 50 G 8.08 3.76 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 0.00 0.00 0.00 51 D 8.28 4.65 0.00 2.77 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 52 T 7.83 3.68 4.41 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 1.30 0.00 0.00 53 V 7.43 3.15 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 1.10 0.00 0.00 0.98 0.00 0.00 54 Q 7.87 4.02 0.00 2.42 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.60 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 55 F 8.45 3.70 0.00 2.23 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 56 A 7.53 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.42 3.86 0.00 1.98 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 2.33 2.45 0.00 58 Y 7.83 4.08 0.00 3.09 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 59 I 7.54 3.34 1.71 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 -0.13 0.89 0.00 0.00 60 Q 8.11 3.85 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 61 A 8.13 3.93 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 62 N 7.73 4.17 0.00 2.72 2.53 0.00 0.00 7.07 7.20 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 63 I 7.76 3.58 1.88 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.78 0.89 0.00 0.00 64 Q 8.33 3.99 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.57 0.00 65 L 7.82 3.89 0.00 1.74 1.81 0.89 0.85 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 66 Y 8.05 3.79 0.00 3.02 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 67 S 8.27 5.09 0.00 4.12 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 68 I 7.45 3.68 1.85 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 1.40 0.46 0.89 0.00 0.00 69 R 7.82 3.94 0.00 1.68 1.71 0.00 2.99 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 70 E 8.06 4.21 0.00 1.74 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 1.99 2.18 0.00 71 D 8.13 4.44 0.00 2.73 2.69 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 0.00 0.00 0.00 0.00 72 Y 7.26 4.58 0.00 3.25 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 73 E 7.80 4.64 0.00 1.87 1.67 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 2.16 2.28 0.00 74 L 8.47 4.13 0.00 1.47 1.42 -0.04 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 75 S 8.44 4.34 0.00 4.03 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 76 P 0.00 4.20 0.00 2.15 2.14 0.00 3.56 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.14 0.00 77 Q 8.09 3.94 0.00 2.07 2.09 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 2.43 2.38 0.00 78 A 8.00 3.98 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 79 V 8.00 3.56 2.22 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 1.07 0.00 0.00 0.87 0.00 0.00 80 S 8.55 4.25 0.00 4.10 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 81 S 8.13 4.18 0.00 4.10 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 82 F 8.32 4.20 0.00 3.02 3.25 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 83 V 8.00 3.49 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 1.14 0.00 0.00 1.05 0.00 0.00 84 R 8.12 3.85 0.00 2.06 2.02 0.00 3.17 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 85 Q 8.10 3.96 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 86 E 7.95 3.98 0.00 2.21 2.23 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 1.68 1.98 0.00 87 L 8.10 3.97 0.00 1.80 1.61 0.86 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 88 A 8.31 4.05 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 89 K 8.04 4.04 0.00 2.07 1.88 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.70 7.81 90 S 8.04 4.00 0.00 4.08 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 0.00 90A I 7.57 3.77 1.98 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.78 0.93 0.00 0.00 90B R 7.81 4.50 0.00 1.79 1.87 0.00 3.20 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.51 0.00 91 S 7.45 4.54 0.00 3.91 3.83 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 92 R 8.42 3.89 0.00 1.74 1.93 0.00 3.15 0.00 0.00 3.12 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 93 R 7.14 4.35 0.00 1.73 1.64 0.00 3.28 0.00 0.00 3.17 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.52 0.00 94 P 0.00 4.28 0.00 2.03 2.02 0.00 3.67 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.17 0.00 95 Y 8.87 4.37 0.00 2.70 2.54 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 96 Q 8.67 4.48 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 97 V 7.56 4.85 1.64 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 0.81 0.00 0.00 0.84 0.00 0.00 98 N 9.36 5.16 0.00 2.64 2.68 0.00 0.00 6.53 7.30 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 99 V 8.39 5.17 2.33 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 0.95 0.00 0.00 1.05 0.00 0.00 100 L 8.77 4.85 0.00 1.58 1.54 0.93 0.66 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 0.00 101 I 8.63 4.79 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.67 0.94 0.00 0.00 102 G 9.38 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 0.00 0.00 0.00 0.00 103 G 8.65 4.63 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 0.00 0.00 0.00 104 Y 8.60 4.61 0.00 2.99 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 0.00 105 D 8.13 4.36 0.00 2.53 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 0.00 0.00 0.00 0.00