NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4492 8.3349 115.4129 58.0479 64.1039 173.6680 2 K 4.0186 7.7110 120.1382 57.1549 33.0961 176.1816 3 T 4.3100 8.4140 117.4935 64.4649 71.3962 174.9716 4 N 4.5022 7.9558 120.4579 52.6134 39.8447 173.6864 5 P 4.2996 0.0000 0.0000 65.6914 31.5173 178.8755 6 R 3.9987 8.5071 117.1939 58.8010 29.8565 178.7900 7 L 3.9563 7.9667 119.9650 58.0942 42.2046 178.9515 8 S 4.1041 7.9592 114.8329 61.7700 62.7982 176.9020 9 S 4.0997 8.0330 117.7693 61.3959 62.4938 176.3765 10 L 3.8807 7.9927 123.0023 58.4286 41.7996 179.1901 11 I 3.6937 8.0386 119.5664 64.2606 36.9521 178.3642 12 A 4.0298 8.0795 121.7616 55.1329 18.2200 179.4682 13 D 4.2602 8.5584 117.9175 57.4287 40.8939 178.8689 14 L 3.8684 8.2001 119.9010 57.7224 41.5673 179.8663 15 K 4.0097 7.9244 117.9746 59.3888 31.8921 179.1834 16 S 4.0767 8.2209 113.2761 61.5043 62.3910 176.1787 17 A 4.0330 8.1745 123.0281 55.2381 17.9220 179.5343 18 A 4.3313 7.8539 119.5193 54.6865 18.5651 179.5634 19 R 4.1883 8.1773 114.9816 57.6819 30.4567 177.4084 20 S 4.6960 7.7383 112.5237 58.1779 64.1871 173.2144 21 S 4.8234 7.9005 115.2369 56.4908 66.7819 173.7992 22 G 3.9529 8.5448 108.8963 46.2217 0.0000 174.0015 23 G 4.0437 7.9683 106.9481 42.5829 0.0000 173.7048 24 A 4.6713 8.0568 122.8104 51.8755 21.5528 179.0161 25 V 3.4678 7.5821 109.4368 64.4269 31.5557 178.2034 26 W 4.8727 7.7752 118.1542 60.2162 28.8890 178.7254 27 G 3.6700 8.1852 105.0252 47.5876 0.0000 175.1221 28 D 4.2649 8.2362 120.4372 57.3608 41.3574 178.4317 29 V 3.6430 8.7396 119.5147 66.0421 31.5234 177.8348 30 A 4.0183 8.1747 120.4969 55.1713 18.0066 179.4901 31 E 3.9400 7.8769 116.0996 59.6053 29.7209 179.3234 32 R 4.0386 8.1114 118.7428 59.2589 29.9025 178.4613 33 L 3.8557 7.7763 117.9732 57.2154 41.6847 178.8056 34 E 4.1789 7.8087 117.4643 57.8610 29.5754 177.4162 35 K 4.2855 7.0153 117.8482 55.0745 32.9895 174.9158 36 P 4.3826 0.0000 0.0000 62.5777 32.0358 177.8559 37 R 3.4399 8.7358 120.9223 59.3899 30.0836 179.2427 38 R 3.9344 7.9564 112.6623 58.7905 29.3226 177.3175 39 T 4.2658 7.7791 107.3216 62.4811 69.5325 175.0221 40 H 4.3126 8.1251 120.2490 55.6021 29.4556 175.0380 41 A 4.1917 8.1478 124.4290 52.4054 19.6271 176.8507 42 E 4.9458 8.6571 119.4479 54.5782 31.8719 173.9845 43 V 4.4023 8.5074 124.2260 60.9445 34.1242 175.0049 44 N 5.3429 8.5315 124.0283 51.3507 40.3080 175.9346 45 L 4.1175 8.3259 120.4503 58.2408 41.4412 180.0730 46 G 3.7895 8.2580 104.9849 48.1473 0.0000 175.3984 47 R 3.9592 7.9395 120.2112 59.0397 30.0456 178.6968 48 I 3.7757 7.6954 119.3131 64.4098 37.0282 177.6682 49 E 3.8818 8.0474 118.8486 59.4339 29.4213 178.5868 50 R 3.8602 7.3879 117.8358 58.2110 30.1601 176.3680 51 Y 4.7532 7.3829 112.5950 57.3605 39.2587 175.4118 52 A 4.6003 8.0778 123.6621 51.3443 20.3743 176.9085 53 Q 4.6165 8.0907 115.9356 54.1841 31.6522 174.5710 54 E 4.1617 8.7036 119.8116 57.9915 30.0020 176.1802 55 D 4.3826 8.8202 118.7735 55.0979 38.3267 173.7562 56 E 4.6288 7.7716 119.1345 54.7124 32.0139 174.9076 57 T 4.1811 8.4901 125.0724 63.7962 69.7896 173.9598 58 V 4.2967 8.8561 127.6912 62.5160 33.0074 174.6968 59 V 4.7800 9.0763 128.6625 61.2733 33.5448 174.2605 60 V 4.7750 9.2349 129.3708 59.0001 32.8578 174.8229 61 P 4.7781 0.0000 0.0000 60.7544 31.4462 174.4300 62 G 4.3409 6.4497 114.1408 46.9158 0.0000 171.6197 63 K 4.8077 8.5152 125.2360 54.3725 35.6940 174.9536 64 V 4.6488 8.3588 126.6412 61.5996 33.1866 175.0805 65 L 4.8369 9.2552 127.9600 52.9324 44.8794 176.5603 66 G 4.1519 8.3674 104.7508 46.5498 0.0000 174.1227 67 S 4.3889 8.2015 117.2025 59.2133 64.2852 175.6296 68 G 3.8929 9.1539 109.7617 44.3449 0.0000 172.0662 69 V 4.3404 7.9269 116.9086 60.7891 34.2073 174.9365 70 L 4.8195 8.5700 128.4284 53.4728 43.6718 175.4171 71 Q 4.5206 9.3742 124.6167 56.7022 31.1267 176.8091 72 K 4.0598 8.2224 115.6683 56.8112 32.8224 176.6269 73 D 5.5005 8.2710 122.2408 52.3132 40.4680 175.1776 74 V 4.8088 7.9004 116.0490 59.2101 36.6124 173.9782 75 T 4.9563 8.3631 118.4194 62.2711 70.5081 173.8137 76 V 4.8545 8.9777 127.4590 61.1260 34.0054 173.9936 77 A 5.9400 9.7857 130.0502 49.7191 21.0538 175.2717 78 A 4.9549 8.3745 122.6429 49.6002 22.7437 176.9008 79 V 3.5199 8.3682 119.5603 66.2309 32.1268 175.4653 80 D 4.6148 7.1562 116.8309 53.6312 44.4623 174.2453 81 F 5.4569 8.7659 119.6579 55.4136 43.1634 175.0440 82 S 4.3917 9.0067 116.6081 57.9220 64.2024 175.5375 83 G 3.6913 8.9041 106.9880 48.4661 0.0000 176.0600 84 T 3.8923 7.9057 117.6186 66.0424 68.5441 176.2516 85 A 4.0176 8.0509 122.7613 55.5707 18.5302 179.3413 86 E 3.6514 8.2795 117.3327 59.4800 29.4238 179.3716 87 T 3.8326 7.5777 115.9248 66.5916 68.1640 176.9817 88 K 4.3487 8.3255 122.1067 58.9165 32.0099 179.5679 89 I 3.5782 7.9226 120.0257 64.6572 36.8978 178.2044 90 D 4.5904 7.6940 117.8869 57.4606 40.6979 178.7282 91 Q 4.1516 7.9278 118.8132 58.2797 28.8068 178.2386 92 V 4.4992 7.3996 110.2859 61.2770 34.1863 174.8493 93 G 4.4471 8.0219 111.3838 44.7146 0.0000 175.3087 94 E 4.9787 9.7729 126.0940 54.6292 33.3611 172.2668 95 A 4.8994 8.5697 128.8967 50.3796 20.5115 176.4405 96 V 4.6121 9.0921 122.5921 60.8953 35.5894 175.0341 97 S 5.0598 8.6000 120.0534 57.5026 64.3193 175.1563 98 L 3.8561 8.1673 122.8389 58.1272 41.2816 180.0142 99 E 3.8214 8.0141 118.1600 59.2907 29.4658 179.1986 100 Q 4.0236 8.0571 117.9075 58.7480 28.7986 178.2399 101 A 4.0526 8.1730 122.1147 55.5479 18.2167 179.7973 102 I 3.0719 7.2992 116.8104 64.1149 37.0521 177.8438 103 E 4.1223 7.4147 117.9745 58.6596 29.6140 177.7918 104 N 4.6594 8.1576 115.5161 54.4846 40.3032 175.0872 105 N 5.1521 8.4631 118.6898 51.0196 39.2117 172.7691 106 P 4.4868 0.0000 0.0000 66.1891 31.5835 178.1994 107 E 4.1252 8.4773 116.8842 56.6709 30.1475 176.2791 108 G 3.4465 8.5326 108.2872 46.1908 0.0000 172.9981 109 S 4.4428 8.4340 111.2904 57.3095 66.1226 174.0099 110 H 4.0073 8.3226 116.1418 56.8646 25.7330 174.3658 111 V 4.8463 7.1037 116.2507 59.8429 35.4233 176.6773 112 R 4.5131 8.9598 123.1088 54.4440 32.7560 174.4194 113 V 4.4090 8.4456 127.0797 62.8366 32.2439 175.1336 114 I 4.8190 8.9227 128.4227 59.4421 41.1433 175.9603 115 R 4.1709 8.3804 121.4944 56.5356 29.3538 174.7346 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 S 8.33 4.45 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 2 K 7.71 4.02 0.00 1.85 1.79 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.45 1.48 7.81 3 T 8.41 4.31 4.24 0.00 0.00 0.00 0.00 0.00 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 4 N 7.96 4.50 0.00 2.75 2.70 0.00 0.00 7.25 7.71 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 5 P 0.00 4.30 0.00 2.19 2.08 0.00 3.64 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 6 R 8.51 4.00 0.00 1.94 1.96 0.00 3.12 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 7 L 7.97 3.96 0.00 1.75 1.85 0.93 1.02 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 8 S 7.96 4.10 0.00 4.11 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 9 S 8.03 4.10 0.00 3.86 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 10 L 7.99 3.88 0.00 1.76 1.87 0.86 0.86 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 11 I 8.04 3.69 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.15 0.91 0.00 0.00 12 A 8.08 4.03 1.35 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 0.00 0.00 0.00 13 D 8.56 4.26 0.00 2.71 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 14 L 8.20 3.87 0.00 1.82 1.93 0.91 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 15 K 7.92 4.01 0.00 1.97 1.87 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.61 7.81 16 S 8.22 4.08 0.00 3.89 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 17 A 8.17 4.03 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 A 7.85 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.18 4.19 0.00 1.82 2.01 0.00 3.19 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 20 S 7.74 4.70 0.00 3.89 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 21 S 7.90 4.82 0.00 4.19 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 22 G 8.54 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 0.00 0.00 0.00 23 G 7.97 4.04 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 0.00 0.00 0.00 24 A 8.06 4.67 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 25 V 7.58 3.47 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 -0.22 0.00 0.00 26 W 7.78 4.87 0.00 3.34 3.20 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 27 G 8.19 3.67 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 0.00 0.00 0.00 28 D 8.24 4.26 0.00 3.04 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 29 V 8.74 3.64 2.43 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 1.02 0.00 0.00 1.15 0.00 0.00 30 A 8.17 4.02 1.42 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 0.00 0.00 31 E 7.88 3.94 0.00 2.16 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 2.36 2.33 0.00 32 R 8.11 4.04 0.00 1.93 1.90 0.00 3.31 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 33 L 7.78 3.86 0.00 1.66 1.68 0.89 0.81 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 34 E 7.81 4.18 0.00 2.17 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 2.35 2.46 0.00 35 K 7.02 4.29 0.00 1.99 1.79 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.61 7.81 36 P 0.00 4.38 0.00 2.16 1.95 0.00 3.63 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 37 R 8.74 3.44 0.00 1.78 1.91 0.00 3.10 0.00 0.00 3.35 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 38 R 7.96 3.93 0.00 1.90 2.06 0.00 3.01 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 39 T 7.78 4.27 4.26 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 1.22 0.00 0.00 40 H 8.13 4.31 0.00 3.23 3.25 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.15 4.19 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 42 E 8.66 4.95 0.00 1.80 1.86 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 2.20 2.44 0.00 43 V 8.51 4.40 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 1.01 0.00 0.00 0.93 0.00 0.00 44 N 8.53 5.34 0.00 2.81 2.95 0.00 0.00 7.61 6.74 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 45 L 8.33 4.12 0.00 1.79 1.75 1.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.26 3.79 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 0.00 0.00 0.00 47 R 7.94 3.96 0.00 1.94 2.00 0.00 3.19 0.00 0.00 3.35 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.90 0.00 48 I 7.70 3.78 2.03 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 1.59 0.47 0.97 0.00 0.00 49 E 8.05 3.88 0.00 1.93 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 0.00 2.42 2.32 0.00 50 R 7.39 3.86 0.00 1.60 1.39 0.00 2.50 0.00 0.00 2.90 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.25 0.00 51 Y 7.38 4.75 0.00 2.94 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 52 A 8.08 4.60 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 53 Q 8.09 4.62 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.97 0.00 0.00 0.00 0.00 0.00 2.63 2.40 0.00 54 E 8.70 4.16 0.00 1.99 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 0.00 2.58 2.35 0.00 55 D 8.82 4.38 0.00 2.82 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 56 E 7.77 4.63 0.00 2.04 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 0.00 2.23 2.30 0.00 57 T 8.49 4.18 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 1.37 0.00 0.00 58 V 8.86 4.30 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 0.96 0.00 0.00 0.99 0.00 0.00 59 V 9.08 4.78 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 1.18 0.00 0.00 1.11 0.00 0.00 60 V 9.23 4.78 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 1.09 0.00 0.00 0.94 0.00 0.00 61 P 0.00 4.78 0.00 2.23 2.22 0.00 3.98 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.95 0.00 62 G 6.45 4.34 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 0.00 63 K 8.52 4.81 0.00 1.75 1.57 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.26 1.30 7.81 64 V 8.36 4.65 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 1.08 0.00 0.00 0.76 0.00 0.00 65 L 9.26 4.84 0.00 1.75 1.57 0.93 1.01 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 66 G 8.37 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 67 S 8.20 4.39 0.00 3.97 3.79 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 68 G 9.15 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 69 V 7.93 4.34 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 0.83 0.00 0.00 0.93 0.00 0.00 70 L 8.57 4.82 0.00 1.61 1.53 1.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 9.37 4.52 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.65 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 72 K 8.22 4.06 0.00 1.75 1.76 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.44 1.83 7.81 73 D 8.27 5.50 0.00 2.85 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.90 4.81 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 0.83 0.00 0.00 0.96 0.00 0.00 75 T 8.36 4.96 4.29 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 1.27 0.00 0.00 76 V 8.98 4.85 2.32 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 1.06 0.00 0.00 1.03 0.00 0.00 77 A 9.79 5.94 1.40 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 0.00 0.00 0.00 78 A 8.37 4.95 0.55 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 79 V 8.37 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 0.70 0.00 0.00 0.87 0.00 0.00 80 D 7.16 4.61 0.00 2.76 2.37 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 F 8.77 5.46 0.00 2.84 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 82 S 9.01 4.39 0.00 3.95 4.04 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 83 G 8.90 3.69 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 0.00 0.00 0.00 84 T 7.91 3.89 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 85 A 8.05 4.02 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.28 3.65 0.00 1.94 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 2.18 2.06 0.00 87 T 7.58 3.83 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 1.20 0.00 0.00 88 K 8.33 4.35 0.00 1.77 1.87 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.51 7.81 89 I 7.92 3.58 1.87 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.77 0.89 0.00 0.00 90 D 7.69 4.59 0.00 2.70 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.93 4.15 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.63 0.00 0.00 0.00 0.00 0.00 2.37 2.73 0.00 92 V 7.40 4.50 2.21 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 0.80 0.00 0.00 0.98 0.00 0.00 93 G 8.02 4.45 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 0.00 94 E 9.77 4.98 0.00 2.01 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 2.18 2.22 0.00 95 A 8.57 4.90 0.59 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 96 V 9.09 4.61 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 1.05 0.00 0.00 0.94 0.00 0.00 97 S 8.60 5.06 0.00 4.21 4.04 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 98 L 8.17 3.86 0.00 1.65 1.61 0.97 0.88 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 99 E 8.01 3.82 0.00 2.01 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 2.36 2.39 0.00 100 Q 8.06 4.02 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 101 A 8.17 4.05 1.40 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 0.00 0.00 0.00 102 I 7.30 3.07 1.53 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.22 -0.17 0.60 0.00 0.00 103 E 7.41 4.12 0.00 1.97 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 0.00 2.30 2.32 0.00 104 N 8.16 4.66 0.00 2.81 2.90 0.00 0.00 6.70 7.27 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 0.00 105 N 8.46 5.15 0.00 2.86 3.00 0.00 0.00 6.77 7.34 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 0.00 106 P 0.00 4.49 0.00 2.31 2.26 0.00 3.91 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 107 E 8.48 4.13 0.00 2.13 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 2.42 2.47 0.00 108 G 8.53 3.45 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 0.00 109 S 8.43 4.44 0.00 3.87 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 0.00 110 H 8.32 4.01 0.00 3.33 3.33 0.00 5.56 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.10 4.85 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 0.46 0.00 0.00 0.94 0.00 0.00 112 R 8.96 4.51 0.00 2.13 1.80 0.00 3.15 0.00 0.00 3.08 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 113 V 8.45 4.41 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 0.82 0.00 0.00 0.89 0.00 0.00 114 I 8.92 4.82 1.91 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 1.50 1.10 0.99 0.00 0.00 115 R 8.38 4.17 0.00 1.85 1.81 0.00 3.05 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.61 0.00