NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.3025 8.3444 119.6899 55.9526 29.9615 173.7236 2 D 4.7675 9.0010 120.2980 52.6817 44.2165 176.1260 3 A 4.0975 9.0687 130.4180 55.4032 18.6681 179.1534 4 A 3.9782 8.0566 117.9693 55.1694 18.7974 179.4499 5 S 4.5045 7.5930 112.6840 60.9792 62.3775 176.4645 6 G 4.2173 8.1520 109.5215 46.9941 0.0000 175.1425 7 E 2.6734 7.6027 120.4588 58.5873 29.4050 178.6396 8 Q 4.0865 7.8668 118.6391 58.9512 28.9935 179.0394 9 V 3.7958 7.8179 119.4048 64.6164 31.1561 177.4394 10 F 4.5243 8.0110 120.3187 59.9328 39.2295 176.9294 11 K 3.9412 8.2962 119.3442 59.8901 31.7276 178.1707 12 Q 4.1837 7.5007 112.4342 57.3538 28.9017 176.5764 13 C 4.1050 8.4477 120.4658 61.5247 29.5433 175.4721 14 L 4.5224 6.6438 122.3492 57.4281 41.2004 178.9649 15 V 3.6184 7.6423 117.0239 65.6339 31.6142 175.8262 16 C 4.7844 8.1554 113.2159 59.4346 30.8108 173.7042 17 H 5.2326 7.7069 114.6500 53.9468 32.7507 172.7811 18 S 5.1705 8.2864 115.9213 57.3729 66.4477 172.4805 19 I 4.1228 8.2610 119.7959 61.6252 40.7373 174.9601 20 G 3.7143 8.1025 112.4650 43.8345 0.0000 171.1348 21 P 4.7328 0.0000 0.0000 62.9307 32.5899 176.1557 22 G 3.8203 8.7782 106.3682 46.2827 0.0000 173.3668 23 A 4.0907 7.5516 122.5896 51.5418 18.2531 178.0406 24 K 4.6536 8.2432 121.8085 54.8088 35.1713 175.9498 25 N 4.6156 8.5098 118.0588 54.3129 39.9944 175.4548 26 K 4.3032 7.9483 122.3150 55.7021 35.9000 179.5550 27 V 3.7541 8.6906 125.9883 66.1441 31.8623 175.6015 28 G 4.0714 8.0435 105.9048 43.0161 0.0000 170.2994 29 P 4.5628 0.0000 0.0000 61.9493 31.8758 176.6546 30 V 3.7708 8.4105 123.2275 61.9382 31.8534 175.7449 31 L 4.4067 8.8061 123.2012 54.8235 41.7914 176.2801 32 N 4.3412 8.0938 117.0698 53.7734 39.5528 175.6402 33 G 3.8743 8.5847 112.1967 46.6593 0.0000 172.8665 34 L 3.8641 7.3391 123.7716 57.6880 43.0493 176.6171 35 F 4.6424 7.4745 116.9848 58.9547 39.2000 173.5061 36 G 4.3284 9.7460 116.3155 45.9693 0.0000 174.5490 37 R 4.0392 7.5426 114.4910 56.4113 29.9719 175.5115 38 H 4.0827 8.6268 117.1118 55.0760 29.5429 175.1558 39 S 4.2699 8.4071 118.4179 59.7505 62.4879 173.4000 40 G 2.4029 7.7119 110.9994 46.1406 0.0000 174.7458 41 T 4.2022 7.3880 117.5117 64.9723 69.1365 176.3475 42 I 3.9416 7.9110 114.0341 60.8593 38.1202 174.9012 43 E 4.5945 8.7818 120.8471 56.3340 31.2370 176.0285 44 G 3.9348 9.3176 108.9259 45.2847 0.0000 172.4760 45 F 4.4055 7.7826 120.2134 55.9336 41.7615 175.8216 46 A 4.2146 6.9010 132.7688 50.5946 16.9520 176.0831 47 Y 4.5816 7.6957 119.2988 57.4569 39.3874 176.9885 48 S 4.6319 8.6892 115.3217 57.6064 64.8281 174.8651 49 D 4.3556 8.6203 125.2693 57.4736 40.4879 178.5367 50 A 4.0165 8.1474 119.4299 55.5197 18.0442 178.8812 51 N 4.4741 8.1884 114.7744 56.7691 39.1897 176.9896 52 K 4.0477 8.1540 117.9897 58.5340 32.8690 177.0283 53 N 4.8578 8.4846 117.3450 53.0192 39.0676 175.8868 54 S 4.0910 7.7549 114.9845 60.1550 63.2319 175.5969 55 G 3.8041 8.0427 106.8404 46.0634 0.0000 174.8073 56 I 3.2430 7.6576 120.8299 63.9662 36.9797 175.6423 57 T 2.9114 7.1719 118.8802 61.5089 64.7492 170.6834 58 W 4.5754 7.9871 127.2708 56.9663 27.8746 175.6525 59 T 5.1332 8.2196 113.7739 59.5318 72.4088 174.5550 60 E 3.9602 8.8449 121.8240 60.1674 29.0526 179.6045 61 E 4.1026 8.2949 118.7852 59.0420 29.8107 178.8532 62 V 3.8560 7.6148 116.3869 64.3039 31.7991 178.1535 63 F 4.6584 8.9798 121.5757 61.3109 38.8263 176.9444 64 R 3.9826 8.5060 118.1210 59.3368 29.5918 177.8753 65 E 4.0187 7.6303 117.8020 59.2465 30.1343 176.9158 66 Y 4.2661 8.7578 120.3867 59.9901 38.7870 177.4628 67 I 3.3565 8.2401 119.3337 64.2372 37.8929 177.9055 68 R 4.1805 6.9990 118.1499 58.2682 30.8472 176.7498 69 D 4.3379 8.4416 120.4228 52.5780 42.5408 173.4184 70 P 3.6994 0.0000 0.0000 65.2125 31.8345 178.6172 71 K 3.5090 8.1380 118.3190 59.0177 32.1484 177.8585 72 A 4.3590 7.8363 119.7696 52.8965 19.3854 177.8853 73 K 4.5239 8.7602 114.5191 57.1891 34.3454 176.9686 74 I 4.7134 7.4966 118.5694 58.5669 37.6733 172.7553 75 P 5.1229 0.0000 0.0000 64.6734 31.5739 177.3118 76 G 3.9922 9.0478 111.5287 45.1878 0.0000 172.8351 77 T 4.2713 7.5923 113.7911 61.4161 67.9408 174.6841 78 K 4.1039 8.5913 123.9054 59.0247 32.3142 177.3771 79 M 4.1178 7.7625 117.9439 55.4884 30.6210 175.2524 80 I 4.2745 8.0202 127.0322 60.1064 37.0326 175.3714 81 F 4.7376 8.3816 125.8530 56.7810 42.1464 173.3672 82 A 4.2798 7.9945 130.7358 50.1150 19.2189 176.9203 83 G 4.2644 7.9694 111.2489 45.6929 0.0000 172.5976 84 V 4.0056 7.7643 116.3399 61.6744 30.3174 177.9366 85 K 4.2668 7.3775 125.9324 54.8593 31.0364 179.3369 86 D 4.4223 7.3366 119.5455 52.2261 44.2978 175.4091 87 E 3.9711 8.7665 126.3371 59.2212 29.9199 178.2754 88 Q 4.2488 8.0464 117.4975 59.0019 28.8678 178.3177 89 K 3.9263 8.1623 118.8353 59.9643 32.1539 178.9672 90 V 3.7692 7.8251 117.8444 66.5385 31.1379 178.3212 91 S 4.2527 7.7555 113.8641 61.7183 63.0625 176.0648 92 D 4.5747 8.1479 120.9868 56.5892 40.7501 178.3917 93 L 4.1305 8.3629 121.6893 58.0097 43.2083 178.0382 94 I 4.2644 7.8628 118.4289 59.8113 33.5864 174.2881 95 A 4.7084 7.2791 123.6900 52.6354 26.3000 178.2825 96 Y 4.3315 8.2342 116.2837 60.9170 39.0106 177.6659 97 I 3.4645 7.7035 120.5248 64.3570 37.0826 178.2658 98 K 4.1810 8.2723 118.2949 59.4730 32.0818 177.1129 99 Q 3.8789 7.7598 119.2088 57.8288 28.9669 176.6274 100 F 4.7407 7.8634 117.0463 55.8054 40.0395 171.7072 101 N 4.2016 8.3015 122.7581 54.0472 38.4526 175.8747 102 A 3.5417 8.5494 121.6955 53.6453 18.6100 177.5267 103 D 4.7626 7.6577 110.1933 52.4026 39.9821 173.8885 104 G 4.0455 8.7171 113.2575 46.1452 0.0000 173.9763 105 S 4.3033 8.4902 126.4299 57.3990 67.8044 173.9792 106 K 5.3207 8.6071 118.8871 54.3452 34.0076 176.8676 107 K 4.0278 8.1485 124.1512 57.8231 31.5348 174.7003 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 Q 8.34 4.30 0.00 2.12 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.64 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 2 D 9.00 4.77 0.00 2.76 2.50 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 0.00 0.00 0.00 0.00 3 A 9.07 4.10 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 4 A 8.06 3.98 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 5 S 7.59 4.50 0.00 3.91 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 6 G 8.15 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 7 E 7.60 2.67 0.00 1.38 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 2.17 1.99 0.00 8 Q 7.87 4.09 0.00 2.30 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 9 V 7.82 3.80 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 1.00 0.00 0.00 1.06 0.00 0.00 10 F 8.01 4.52 0.00 3.17 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 11 K 8.30 3.94 0.00 1.95 1.86 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.77 7.81 12 Q 7.50 4.18 0.00 2.37 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.75 0.00 0.00 0.00 0.00 0.00 2.63 2.48 0.00 13 C 8.45 4.10 0.00 1.36 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 0.00 0.00 0.00 0.00 14 L 6.64 4.52 0.00 1.76 1.58 1.07 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 15 V 7.64 3.62 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 0.89 0.00 0.00 0.93 0.00 0.00 16 C 8.16 4.78 0.00 2.65 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 17 H 7.71 5.23 0.00 2.95 3.07 0.00 5.57 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.29 5.17 0.00 3.74 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 19 I 8.26 4.12 1.59 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.20 0.11 0.30 0.00 0.00 20 G 8.10 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 0.00 0.00 0.00 21 P 0.00 4.73 0.00 2.25 2.21 0.00 3.87 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 22 G 8.78 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 0.00 0.00 0.00 23 A 7.55 4.09 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 24 K 8.24 4.65 0.00 1.84 1.78 0.00 1.62 0.00 0.00 1.90 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.29 1.36 7.81 25 N 8.51 4.62 0.00 2.79 2.96 0.00 0.00 6.76 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 26 K 7.95 4.30 0.00 1.87 1.24 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.77 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.47 7.81 27 V 8.69 3.75 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 0.77 0.00 0.00 0.92 0.00 0.00 28 G 8.04 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 0.00 0.00 0.00 29 P 0.00 4.56 0.00 1.89 1.30 0.00 3.12 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 1.73 1.46 0.00 30 V 8.41 3.77 2.06 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 0.70 0.00 0.00 0.94 0.00 0.00 31 L 8.81 4.41 0.00 1.58 1.57 0.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.09 4.34 0.00 2.67 2.79 0.00 0.00 7.07 7.65 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 33 G 8.58 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 0.00 0.00 0.00 34 L 7.34 3.86 0.00 1.48 0.98 0.33 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 35 F 7.47 4.64 0.00 3.10 2.98 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 36 G 9.75 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 0.00 0.00 0.00 0.00 37 R 7.54 4.04 0.00 2.10 2.27 0.00 2.88 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.80 0.00 38 H 8.63 4.08 0.00 3.29 3.25 0.00 5.84 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 8.41 4.27 0.00 3.18 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.71 2.40 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 0.00 41 T 7.39 4.20 4.48 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 0.00 0.00 0.00 1.26 0.00 0.00 42 I 7.91 3.94 1.95 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.56 1.04 0.00 0.00 43 E 8.78 4.59 0.00 2.16 2.06 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 0.00 2.25 2.27 0.00 44 G 9.32 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 0.00 0.00 0.00 45 F 7.78 4.41 0.00 2.75 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 46 A 6.90 4.21 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 47 Y 7.70 4.58 0.00 3.13 3.07 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 48 S 8.69 4.63 0.00 4.05 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 49 D 8.62 4.36 0.00 2.76 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 50 A 8.15 4.02 1.38 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 51 N 8.19 4.47 0.00 2.98 3.05 0.00 0.00 6.91 6.47 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 52 K 8.15 4.05 0.00 1.87 1.73 0.00 1.66 0.00 0.00 1.82 0.00 0.00 3.09 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.79 1.52 7.81 53 N 8.48 4.86 0.00 2.86 2.85 0.00 0.00 6.99 6.40 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 54 S 7.75 4.09 0.00 3.88 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 55 G 8.04 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 56 I 7.66 3.24 1.10 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 1.00 0.27 -0.81 0.00 0.00 57 T 7.17 2.91 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 1.09 0.00 0.00 58 W 7.99 4.58 0.00 3.48 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 59 T 8.22 5.13 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 1.27 0.00 0.00 60 E 8.84 3.96 0.00 1.94 1.98 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 1.47 1.91 0.00 61 E 8.29 4.10 0.00 2.09 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 2.45 2.42 0.00 62 V 7.61 3.86 2.14 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 1.08 0.00 0.00 0.97 0.00 0.00 63 F 8.98 4.66 0.00 3.34 3.44 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 64 R 8.51 3.98 0.00 2.47 2.18 0.00 3.23 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.82 0.00 65 E 7.63 4.02 0.00 1.96 2.14 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 2.35 2.36 0.00 66 Y 8.76 4.27 0.00 3.45 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 67 I 8.24 3.36 1.08 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 1.10 0.99 0.57 0.00 0.00 68 R 7.00 4.18 0.00 1.80 2.15 0.00 3.36 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 1.63 1.61 0.00 69 D 8.44 4.34 0.00 2.64 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 0.00 0.00 0.00 0.00 70 P 0.00 3.70 0.00 2.12 1.77 0.00 3.54 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 2.09 1.34 0.00 71 K 8.14 3.51 0.00 1.83 1.86 0.00 1.64 0.00 0.00 1.85 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.57 7.81 72 A 7.84 4.36 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.76 4.52 0.00 1.96 2.15 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.68 7.81 74 I 7.50 4.71 2.19 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.31 1.06 0.00 0.00 75 P 0.00 5.12 0.00 2.21 2.22 0.00 3.46 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.97 0.00 76 G 9.05 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 77 T 7.59 4.27 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 1.48 0.00 0.00 78 K 8.59 4.10 0.00 1.95 1.96 0.00 1.94 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.52 7.81 79 M 7.76 4.12 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.58 0.00 80 I 8.02 4.27 1.92 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 1.34 0.75 0.95 0.00 0.00 81 F 8.38 4.74 0.00 2.78 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 82 A 7.99 4.28 1.08 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 0.00 0.00 0.00 0.00 0.00 0.00 83 G 7.97 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 0.00 0.00 0.00 0.00 84 V 7.76 4.01 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 0.93 0.00 0.00 1.03 0.00 0.00 85 K 7.38 4.27 0.00 1.71 1.72 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.39 1.60 7.81 86 D 7.34 4.42 0.00 2.72 2.55 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 87 E 8.77 3.97 0.00 1.97 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 0.00 2.32 2.44 0.00 88 Q 8.05 4.25 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 89 K 8.16 3.93 0.00 1.98 1.94 0.00 1.72 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.56 1.49 7.81 90 V 7.83 3.77 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 1.17 0.00 0.00 0.99 0.00 0.00 91 S 7.76 4.25 0.00 4.05 3.96 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 92 D 8.15 4.57 0.00 2.83 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 93 L 8.36 4.13 0.00 2.17 2.17 1.40 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 94 I 7.86 4.26 1.88 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.34 0.49 0.00 0.00 95 A 7.28 4.71 1.37 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 0.00 0.00 96 Y 8.23 4.33 0.00 3.22 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 97 I 7.70 3.46 1.86 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 0.99 0.32 0.70 0.00 0.00 98 K 8.27 4.18 0.00 1.71 1.83 0.00 1.17 0.00 0.00 1.26 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.56 7.81 99 Q 7.76 3.88 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.48 0.00 0.00 0.00 0.00 0.00 1.44 1.95 0.00 100 F 7.86 4.74 0.00 3.04 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 0.00 101 N 8.30 4.20 0.00 2.97 2.79 0.00 0.00 6.97 7.66 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 0.00 102 A 8.55 3.54 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 0.00 103 D 7.66 4.76 0.00 2.74 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 0.00 104 G 8.72 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 0.00 105 S 8.49 4.30 0.00 4.02 3.56 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 0.00 106 K 8.61 5.32 0.00 1.59 1.62 0.00 1.13 0.00 0.00 2.35 0.00 0.00 2.81 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.21 1.23 7.81 107 K 8.15 4.03 0.00 1.70 1.71 0.00 1.56 0.00 0.00 1.79 0.00 0.00 3.20 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.13 1.18 7.81