NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -8 H 4.7056 8.4444 117.8236 55.6166 31.0698 173.1229 -7 H 4.4955 8.0863 117.6875 55.3340 30.9724 172.3460 -6 H 4.7443 8.2770 111.9528 55.0995 31.6226 171.7359 -5 H 4.8395 8.4866 117.4062 53.9321 30.4892 174.9655 -4 L 4.1591 8.2973 124.4026 54.8679 42.5865 176.9706 -3 V 4.1969 7.9173 124.6195 59.8965 31.5934 172.8317 -2 P 4.2914 0.0000 0.0000 62.8190 31.6122 176.8390 -1 R 4.4871 8.3288 119.4778 55.5195 31.7012 176.3712 0 G 3.5097 7.8429 107.4298 45.8707 0.0000 173.8728 1 S 4.1336 7.9212 114.3983 56.4385 63.8740 173.2647 2 V 4.3477 8.1676 128.4611 61.4490 32.5683 174.6660 3 Q 4.7433 8.3856 127.3234 53.9671 31.4204 175.3213 4 V 4.2867 8.4476 123.2297 62.9962 32.5636 175.1151 5 I 4.6482 8.6311 129.5174 60.1282 37.7252 175.7666 6 S 4.7314 9.4669 121.8276 57.9359 63.8439 174.3511 7 S 4.6962 7.4616 115.2008 56.4229 66.7244 174.2286 8 Y 4.1361 8.6533 123.4647 61.0628 38.6153 177.9582 9 D 4.3113 8.2874 119.3436 57.4805 40.8815 178.4796 10 Q 3.8810 8.0279 119.7697 58.9767 29.0664 177.8482 11 F 3.9231 8.1026 121.6470 61.4020 39.1443 177.3182 12 K 3.3585 7.4873 116.5161 59.0325 31.8929 178.9575 13 Q 3.9425 7.8739 119.7526 59.4053 28.8578 178.8073 14 V 3.5172 7.5464 112.3995 63.7773 31.7322 177.7309 15 T 4.1548 7.3199 107.8162 62.0308 68.7944 176.2538 16 G 3.7643 7.6961 109.2206 45.8923 0.0000 173.6388 17 G 4.1497 7.6133 109.9450 43.5688 0.0000 173.5812 18 D 4.5180 8.5191 117.6042 56.6267 41.3832 176.8328 19 K 4.1094 7.8830 120.6659 55.8598 32.8703 176.2471 20 V 4.1890 8.4490 126.6067 63.2348 32.7925 174.9642 21 V 5.2942 8.9470 119.9645 59.5051 36.0680 174.7581 22 V 4.6295 8.9211 122.6547 59.9030 34.3006 174.3474 23 I 5.0321 8.8453 125.3838 59.4557 40.2712 174.1342 24 D 4.1744 8.8421 127.8574 53.1792 42.0668 175.1177 25 F 4.9750 8.9200 127.2708 56.3012 40.3044 175.3567 26 W 5.5097 8.7441 120.1236 55.2069 32.4751 173.4165 27 A 3.9940 8.0390 119.5046 50.4166 21.3698 177.6903 28 T 4.1103 8.2644 109.8139 64.0060 69.0406 175.3130 29 W 4.6261 7.6477 116.8894 56.3530 27.9558 176.1791 30 C 4.3849 7.8045 121.5422 55.7436 44.7284 174.1656 31 G 3.5131 8.8017 114.4929 47.6943 0.0000 173.5173 32 P 4.3391 0.0000 0.0000 65.0324 31.2180 179.1844 33 C 4.2693 7.6745 112.5122 60.1603 39.8573 176.2490 34 K 3.7569 7.9748 118.8952 58.8760 31.6494 178.7757 35 M 4.1779 7.7811 117.7270 58.2923 32.8011 177.3052 36 I 4.1969 7.9439 118.2168 62.7361 38.2797 177.7305 37 G 3.7684 8.3274 107.3500 47.6535 0.0000 173.8722 38 P 4.2833 0.0000 0.0000 64.9150 31.2136 178.9322 39 V 3.5835 7.7815 116.7531 65.9563 31.5667 177.5137 40 F 4.2542 8.4156 120.3839 61.5511 38.9537 176.8600 41 E 3.8009 8.2507 116.8833 59.4293 29.6553 179.2691 42 K 4.0360 8.1390 118.4239 59.4628 32.1079 179.5438 43 I 3.6892 8.0115 120.6005 64.1269 36.4768 178.5315 44 S 2.7900 7.2754 115.0058 60.4107 62.3016 175.5422 45 D 4.4268 7.2765 120.3491 54.3555 41.1357 176.5424 46 T 4.2744 7.0020 110.7929 59.9281 70.1921 173.9364 47 P 4.1635 0.0000 0.0000 65.5191 31.0401 178.6198 48 A 4.2104 7.8181 118.6574 54.8758 18.0237 179.4812 49 G 3.6328 8.0284 103.1899 46.7026 0.0000 175.1822 50 D 4.5350 8.0201 120.6091 56.4677 40.9715 177.8746 51 K 4.3572 7.9159 117.2340 56.0561 33.0574 176.6691 52 V 4.7091 7.9969 119.4297 60.8366 34.5487 175.0757 53 G 4.2234 8.9998 115.2310 45.8553 0.0000 172.2539 54 F 5.3539 8.6348 122.8372 55.9472 41.3958 174.4121 55 Y 5.5282 9.3558 120.3584 56.2724 43.0870 174.1230 56 K 5.0822 9.2886 119.0676 55.2791 36.6023 175.4061 57 V 4.4989 8.5800 122.1947 61.0328 34.7612 174.1264 58 D 3.7620 8.6728 128.0110 52.9729 40.7095 176.5323 59 V 3.6130 8.0114 128.5884 66.0316 31.7986 177.2199 60 D 4.5122 7.8275 118.7265 57.2424 40.6668 177.4045 61 E 4.1935 8.0663 116.0890 57.7130 30.6638 176.5087 62 Q 4.6822 7.6837 117.3801 53.8523 29.2193 176.2108 63 S 4.0844 7.8946 116.6555 61.4902 63.5611 176.3841 64 Q 3.8520 7.9616 122.6150 58.8546 28.8085 178.0911 65 I 3.4825 7.7233 120.0030 64.3816 37.2218 178.0298 66 A 3.8458 8.0677 121.5404 55.3654 17.9278 179.7667 67 Q 3.9118 8.1621 115.9531 58.8666 28.8571 178.1089 68 E 4.1045 7.9846 119.5587 59.4115 29.8338 178.8535 69 V 3.8452 7.8292 117.3501 63.5531 32.1747 175.6315 70 G 3.6293 8.1159 105.4228 46.0233 0.0000 174.1684 71 I 3.6115 7.4502 119.0577 61.3403 37.6494 176.8132 72 R 4.4852 8.3262 122.2422 55.9029 31.6786 175.1727 73 A 4.6312 7.3134 118.6164 51.5000 21.9257 175.3507 74 M 4.7958 8.1029 118.4900 52.7373 35.9742 173.9486 75 P 4.9127 0.0000 0.0000 62.5032 33.4029 175.0628 76 T 4.9718 8.0219 116.2781 61.8743 72.7645 172.6690 77 F 5.0894 9.3596 125.1651 55.8923 41.1341 174.8306 78 V 4.8949 8.9020 124.1150 61.0964 34.3474 174.0959 79 F 5.3451 9.1565 126.4287 56.0869 41.3539 174.8937 80 F 5.4792 9.3461 120.6120 56.0301 43.6816 173.8627 81 K 4.7520 9.2864 121.1260 56.1222 36.0742 175.5518 82 N 4.5246 9.4502 124.5742 53.4288 36.6522 175.4165 83 G 3.9077 8.6509 103.8982 45.7078 0.0000 174.0361 84 Q 4.7561 7.9216 118.4823 53.2993 31.6338 174.8941 85 K 4.1021 8.7241 123.1946 56.3534 32.5761 176.3463 86 I 4.4049 8.0614 119.4829 61.1729 39.4333 174.7453 87 D 4.5924 7.5529 120.2320 54.0855 44.4791 174.1237 88 T 5.2979 8.4657 117.9607 62.0066 72.9237 173.5286 89 V 4.4615 9.3161 125.5274 61.2225 34.3999 174.1758 90 V 4.3516 8.7434 128.3079 62.8293 32.7612 176.4892 91 G 3.8801 9.1832 115.5829 44.9083 0.0000 173.9418 92 A 4.4524 8.0999 121.0872 50.7379 17.0346 176.1328 93 D 4.8380 7.7116 119.8418 50.1965 42.1565 174.2095 94 P 4.2700 0.0000 0.0000 65.4083 31.4157 178.5919 95 S 4.1140 7.9948 113.6226 61.1753 63.0985 176.5031 96 K 3.9677 8.2488 121.8435 58.8202 31.7297 179.1256 97 L 3.9070 8.0899 120.7572 58.2159 41.9930 178.8016 98 Q 3.9732 8.2984 119.3882 59.1758 28.9593 177.9874 99 A 3.9469 8.3005 121.7577 55.2077 18.3969 179.5365 100 A 3.7344 8.0575 119.2392 55.1718 18.2937 179.9072 101 I 3.9293 8.0886 118.4526 64.9391 36.9730 178.8399 102 T 3.8897 7.9325 115.6569 66.5135 68.3457 176.1048 103 Q 4.0151 7.8620 120.4285 59.3983 29.1800 177.5537 104 H 4.6860 7.8524 113.5449 56.1210 29.1172 176.3206 105 S 4.7198 7.4789 115.3116 57.9886 63.3545 173.8768 106 A 4.1566 7.8411 130.5466 52.8180 18.2388 177.6913 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 -8 H 8.44 4.71 0.00 3.17 3.42 0.00 5.64 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -7 H 8.09 4.50 0.00 3.18 3.26 0.00 5.77 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 -6 H 8.28 4.74 0.00 3.27 3.20 0.00 5.56 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 -5 H 8.49 4.84 0.00 3.14 3.23 0.00 5.70 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -4 L 8.30 4.16 0.00 1.60 1.56 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 -3 V 7.92 4.20 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 0.88 0.00 0.00 0.93 0.00 0.00 -2 P 0.00 4.29 0.00 2.03 1.92 0.00 3.64 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 1.99 2.08 0.00 -1 R 8.33 4.49 0.00 1.69 1.86 0.00 3.34 0.00 0.00 3.19 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.48 0.00 0 G 7.84 3.51 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 1 S 7.92 4.13 0.00 3.67 3.60 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 0.00 2 V 8.17 4.35 2.04 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 1.01 0.00 0.00 0.75 0.00 0.00 3 Q 8.39 4.74 0.00 1.89 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.15 0.00 4 V 8.45 4.29 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 0.87 0.00 0.00 1.01 0.00 0.00 5 I 8.63 4.65 1.88 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.84 0.93 0.00 0.00 6 S 9.47 4.73 0.00 3.95 3.98 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 7 S 7.46 4.70 0.00 4.08 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 8 Y 8.65 4.14 0.00 3.09 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 9 D 8.29 4.31 0.00 2.76 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 10 Q 8.03 3.88 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 11 F 8.10 3.92 0.00 3.00 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 12 K 7.49 3.36 0.00 1.63 1.60 0.00 1.22 0.00 0.00 1.21 0.00 0.00 2.95 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.83 1.26 7.81 13 Q 7.87 3.94 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.49 0.00 14 V 7.55 3.52 1.47 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 0.61 0.00 0.00 0.29 0.00 0.00 15 T 7.32 4.15 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 16 G 7.70 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 17 G 7.61 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 0.00 0.00 0.00 18 D 8.52 4.52 0.00 2.64 2.73 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 0.00 19 K 7.88 4.11 0.00 1.79 1.75 0.00 1.88 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.65 7.81 20 V 8.45 4.19 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 1.12 0.00 0.00 1.05 0.00 0.00 21 V 8.95 5.29 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 0.92 0.00 0.00 1.01 0.00 0.00 22 V 8.92 4.63 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 0.14 0.00 0.00 0.30 0.00 0.00 23 I 8.85 5.03 2.03 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 1.20 0.94 0.24 0.00 0.00 24 D 8.84 4.17 0.00 1.58 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 0.00 0.00 0.00 0.00 25 F 8.92 4.97 0.00 3.04 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 26 W 8.74 5.51 0.00 3.36 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 27 A 8.04 3.99 0.43 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 28 T 8.26 4.11 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 1.33 0.00 0.00 29 W 7.65 4.63 0.00 3.58 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 30 C 7.80 4.38 0.00 2.42 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 31 G 8.80 3.51 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 32 P 0.00 4.34 0.00 2.19 2.15 0.00 3.62 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.21 0.00 33 C 7.67 4.27 0.00 3.17 3.21 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 34 K 7.97 3.76 0.00 1.88 1.88 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.61 7.81 35 M 7.78 4.18 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.56 0.00 36 I 7.94 4.20 1.99 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 1.67 1.24 1.19 0.00 0.00 37 G 8.33 3.77 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 0.00 0.00 0.00 38 P 0.00 4.28 0.00 2.18 2.11 0.00 3.73 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 2.19 2.12 0.00 39 V 7.78 3.58 2.31 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 1.14 0.00 0.00 0.96 0.00 0.00 40 F 8.42 4.25 0.00 3.18 3.34 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 41 E 8.25 3.80 0.00 2.14 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 2.32 2.55 0.00 42 K 8.14 4.04 0.00 1.86 1.80 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.66 1.60 7.81 43 I 8.01 3.69 2.02 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 1.59 1.04 1.04 0.00 0.00 44 S 7.28 2.79 0.00 3.08 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 45 D 7.28 4.43 0.00 2.77 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 46 T 7.00 4.27 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 1.19 0.00 0.00 47 P 0.00 4.16 0.00 2.17 2.15 0.00 3.58 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 2.10 2.14 0.00 48 A 7.82 4.21 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.03 3.63 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 50 D 8.02 4.54 0.00 2.83 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 51 K 7.92 4.36 0.00 1.91 1.91 0.00 1.74 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.45 7.81 52 V 8.00 4.71 2.35 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 0.88 0.00 0.00 1.05 0.00 0.00 53 G 9.00 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 0.00 0.00 0.00 54 F 8.63 5.35 0.00 2.83 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 Y 9.36 5.53 0.00 2.98 2.83 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 56 K 9.29 5.08 0.00 1.86 1.89 0.00 1.20 0.00 0.00 1.53 0.00 0.00 2.35 0.00 0.00 2.16 0.00 0.00 0.00 0.00 1.56 1.52 7.81 57 V 8.58 4.50 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 0.88 0.00 0.00 0.68 0.00 0.00 58 D 8.67 3.76 0.00 2.43 2.36 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 59 V 8.01 3.61 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 0.80 0.00 0.00 0.96 0.00 0.00 60 D 7.83 4.51 0.00 2.81 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 61 E 8.07 4.19 0.00 1.99 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 2.26 2.23 0.00 62 Q 7.68 4.68 0.00 2.10 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 63 S 7.89 4.08 0.00 4.02 4.10 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 64 Q 7.96 3.85 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.94 0.00 0.00 0.00 0.00 0.00 2.09 2.20 0.00 65 I 7.72 3.48 1.87 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 1.15 0.47 0.23 0.00 0.00 66 A 8.07 3.85 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 67 Q 8.16 3.91 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.90 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 68 E 7.98 4.10 0.00 2.10 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 0.00 2.53 2.46 0.00 69 V 7.83 3.85 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 nan 0.00 0.00 1.20 0.00 0.00 70 G 8.12 3.63 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 71 I 7.45 3.61 1.70 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.28 0.78 0.00 0.00 72 R 8.33 4.49 0.00 1.73 1.91 0.00 3.22 0.00 0.00 3.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.76 0.00 73 A 7.31 4.63 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 74 M 8.10 4.80 0.00 1.70 1.66 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 2.36 2.52 0.00 75 P 0.00 4.91 0.00 1.67 2.01 0.00 3.80 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 2.01 1.86 0.00 76 T 8.02 4.97 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 1.24 0.00 0.00 77 F 9.36 5.09 0.00 3.00 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 V 8.90 4.89 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.91 0.00 0.00 79 F 9.16 5.35 0.00 2.86 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 80 F 9.35 5.48 0.00 2.93 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 81 K 9.29 4.75 0.00 1.87 1.64 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.62 7.81 82 N 9.45 4.52 0.00 2.86 2.87 0.00 0.00 7.00 7.50 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 83 G 8.65 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 84 Q 7.92 4.76 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.95 0.00 0.00 0.00 0.00 0.00 2.57 2.42 0.00 85 K 8.72 4.10 0.00 1.60 1.68 0.00 1.63 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.10 7.81 86 I 8.06 4.40 1.81 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 1.15 0.67 0.97 0.00 0.00 87 D 7.55 4.59 0.00 2.49 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 0.00 0.00 0.00 0.00 88 T 8.47 5.30 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 89 V 9.32 4.46 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 1.12 0.00 0.00 1.17 0.00 0.00 90 V 8.74 4.35 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 0.85 0.00 0.00 0.95 0.00 0.00 91 G 9.18 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.10 4.45 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 93 D 7.71 4.84 0.00 2.69 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 94 P 0.00 4.27 0.00 2.31 2.31 0.00 3.77 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00 95 S 7.99 4.11 0.00 4.07 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 0.00 96 K 8.25 3.97 0.00 1.98 1.93 0.00 1.81 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.67 7.81 97 L 8.09 3.91 0.00 1.60 1.78 0.37 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 98 Q 8.30 3.97 0.00 2.21 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 99 A 8.30 3.95 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 0.00 100 A 8.06 3.73 1.29 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 0.00 0.00 101 I 8.09 3.93 2.13 0.00 0.00 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 1.73 1.61 1.12 0.00 0.00 102 T 7.93 3.89 4.36 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 1.20 0.00 0.00 103 Q 7.86 4.02 0.00 1.92 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.89 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 104 H 7.85 4.69 0.00 3.14 3.32 0.00 5.68 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 S 7.48 4.72 0.00 4.02 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 0.00 106 A 7.84 4.16 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