NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.5779 8.3649 120.1939 53.8989 42.9079 176.2829 3 K 4.2177 7.8857 114.8973 55.8028 33.1257 174.7690 4 I 4.4056 8.1576 121.5615 60.1436 39.6093 175.0160 5 I 3.9972 8.4867 128.0888 61.0676 38.3686 174.8989 6 H 4.9702 8.7734 125.2736 54.6601 28.5854 175.1568 7 L 4.5954 8.6091 124.0139 54.3142 42.9041 176.1630 8 T 4.9877 8.1060 110.0947 59.2208 72.4536 174.4265 9 D 4.5368 8.6577 120.2712 57.5579 40.4546 178.4614 10 D 4.6552 8.1311 117.9033 55.9895 41.4442 177.6822 11 S 4.6022 7.8048 113.1417 58.3080 63.3636 175.7475 12 F 3.9495 7.8192 124.9197 61.5098 39.1303 176.3201 13 E 3.9103 8.3300 118.4013 59.7697 29.2296 178.8606 14 T 3.8223 7.6841 113.5002 66.8139 68.7195 176.1342 15 D 4.3617 7.7746 119.5206 56.3299 40.8372 177.3649 16 V 3.7336 7.3904 116.3915 64.4114 32.6353 177.8098 17 L 4.0009 7.3438 116.7279 57.0979 41.7126 178.1405 18 K 4.3804 8.0949 115.2711 55.7771 32.3268 176.1866 19 A 4.0905 7.3835 122.6563 52.1200 19.2430 178.1110 20 D 4.8497 8.6130 123.9762 50.6746 40.4392 176.1208 21 G 3.8104 6.9703 108.1579 45.8995 0.0000 168.5749 22 A 5.0571 7.8664 121.7121 51.2369 21.0359 177.2166 23 I 4.7812 8.8903 121.9558 59.4711 41.2450 174.6574 24 L 4.8532 8.8880 130.8691 54.2078 42.6755 175.1531 25 V 4.5275 8.9156 127.8680 61.7137 33.4327 174.0664 26 D 5.2290 9.0116 128.4931 52.6920 42.9980 174.9672 27 F 5.2448 9.2974 127.2273 56.6212 40.2495 175.2990 28 W 5.5640 8.9453 119.9056 55.3862 32.3963 173.2700 29 A 3.9851 7.9742 119.9535 49.8300 21.6486 177.0231 30 E 4.0608 8.2657 120.5059 58.8427 29.9188 178.2156 31 W 4.3480 7.5499 113.5504 57.7038 28.7731 176.8938 32 C 4.6625 7.3712 120.5296 55.3671 39.3056 173.6442 33 G 3.7004 8.8080 115.9305 47.5987 0.0000 172.7417 34 P 4.3195 0.0000 0.0000 65.3208 31.0457 178.9498 35 C 4.1962 8.2093 115.9206 60.1315 39.9984 176.1912 36 K 3.7496 7.6420 118.2155 59.4092 31.6190 178.8400 37 M 4.1546 7.7164 118.2987 58.3417 32.4648 177.7532 38 I 3.9545 7.7585 111.7541 62.2760 38.0212 177.8011 39 A 3.7564 7.4917 123.8690 54.7235 17.9144 177.8218 40 P 4.4888 0.0000 0.0000 65.2343 31.2898 178.7237 41 I 3.9041 7.4968 119.6607 64.2778 37.1449 178.0064 42 L 3.9476 8.0542 119.9450 57.7034 41.4660 179.2977 43 D 4.3266 7.8477 118.6514 57.4866 40.7968 178.7080 44 E 4.1059 7.8831 118.6788 59.3906 29.3423 179.5749 45 I 3.8840 7.9647 119.7602 64.2406 36.9618 178.0612 46 A 4.0183 8.1762 120.9253 55.4607 18.3113 179.2171 47 D 4.4465 7.9582 116.5405 57.7665 40.7564 178.9798 48 E 4.1468 8.2483 117.5487 58.6840 29.6207 177.8204 49 Y 4.5899 8.2708 116.0408 56.4661 38.2632 174.4071 50 Q 3.9968 7.1180 120.6252 59.0912 28.9448 177.2640 51 G 4.0356 9.1798 114.5059 45.1032 0.0000 173.2190 52 K 4.4098 7.9076 118.1274 57.5570 33.6072 176.0074 53 L 4.6955 7.5017 115.4222 55.3044 43.2368 174.5801 54 T 4.6633 8.4152 115.9324 61.8761 71.4673 173.7600 55 V 4.7069 8.1905 124.0526 61.6471 33.8712 174.3893 56 A 5.0533 8.7789 127.6697 50.2300 22.9999 174.9364 57 K 4.9918 9.2473 120.5597 54.4198 36.1658 175.2162 58 L 4.9928 8.9262 125.5177 53.1434 45.2107 174.8004 59 N 4.0872 8.7747 126.4864 53.0254 39.3415 175.3423 60 I 4.0890 8.7010 120.3108 62.8277 38.3746 177.7275 61 D 4.4731 8.2402 122.8066 56.7791 41.4070 178.0873 62 Q 4.1356 8.1305 116.1539 58.0001 28.9686 175.9318 63 N 4.9921 7.9285 115.0471 50.5433 38.8429 172.2283 64 P 4.6662 0.0000 0.0000 63.5281 32.3472 178.7470 65 G 3.7501 8.8682 108.7531 48.4867 0.0000 175.5112 66 T 3.8874 8.1022 116.6832 66.2991 69.0306 176.7885 67 A 3.6525 8.0675 122.8199 54.6058 18.1514 177.6890 68 P 4.1792 0.0000 0.0000 65.5666 31.1173 178.8686 69 K 3.8543 7.6890 116.0883 58.3569 31.8328 177.9084 70 Y 4.6491 7.3826 114.3953 56.6799 38.3960 175.6043 71 G 3.9299 7.6050 106.8083 46.3098 0.0000 174.4400 72 I 3.7051 7.4277 120.2938 61.1323 36.8920 174.4620 73 R 4.4376 7.8174 121.8257 57.0056 33.5094 176.0258 74 G 3.8138 8.1267 110.6515 45.8028 0.0000 172.5569 75 I 4.7546 7.9873 115.6506 57.6425 40.7274 173.4058 76 P 4.7715 0.0000 0.0000 63.3293 32.8390 174.9098 77 T 4.9881 8.7311 118.8731 61.9096 71.4420 172.9690 78 L 5.0462 9.0341 127.5556 53.4539 43.5152 175.4526 79 L 5.0196 8.8829 124.9851 52.9093 44.1577 175.5212 80 L 4.7721 9.1475 127.5395 54.3449 43.2770 175.1607 81 F 5.0732 9.5724 126.2033 55.9453 41.6630 175.3017 82 K 4.7261 8.9767 122.2696 54.7779 35.0566 176.1550 83 N 4.4130 9.5579 123.5032 53.0749 36.6831 175.7882 84 G 4.1128 8.8719 105.8698 45.0403 0.0000 173.8259 85 E 4.7652 8.0520 119.6802 54.0610 31.7309 175.5342 86 V 3.5745 8.3273 123.2132 62.8746 31.9770 175.0939 87 A 4.5172 8.9007 129.4882 53.5114 20.2675 177.1386 88 A 4.7489 7.5977 115.0317 50.8855 22.9304 175.4499 89 T 5.1385 8.7662 116.8938 61.6427 72.1229 173.4739 90 K 4.3641 9.0216 126.5890 54.4945 35.4808 174.7630 91 V 4.6006 8.7179 126.9365 62.3304 33.8194 175.6491 92 G 3.8324 9.3811 113.9161 44.4855 0.0000 172.4649 93 A 4.3139 7.9681 121.1435 51.8451 19.1946 176.5852 94 L 4.5588 7.6998 118.3376 53.3636 43.1055 175.8151 95 S 4.4517 8.7563 115.9415 57.4866 65.2538 175.2515 96 K 3.9947 8.5311 122.0820 59.7016 31.8421 178.8054 97 G 3.6158 8.0417 105.5029 47.7442 0.0000 175.6767 98 Q 4.0164 8.2899 120.3993 58.6197 28.6973 178.2179 99 L 3.9750 8.1140 121.5606 58.1523 42.0030 178.9388 100 K 3.9828 8.2338 118.3508 59.8549 32.0846 178.8942 101 E 3.9376 8.0423 118.0925 59.4939 29.3777 179.2661 102 F 4.1962 8.4424 120.5239 61.2686 39.3717 177.2681 103 L 3.6919 8.2964 118.7342 57.9298 41.1796 179.0124 104 D 4.4281 8.9065 119.2110 57.4903 40.5432 178.9989 105 A 3.9773 7.7527 120.0661 55.0196 18.5559 178.8483 106 N 4.4355 7.4973 111.8877 54.5332 39.0020 177.0695 107 L 4.1253 7.8344 119.5935 56.4468 41.8847 176.6329 108 A 4.1644 7.2030 123.2673 52.2994 18.4080 177.0005 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 2 D 8.36 4.58 0.00 2.63 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 3 K 7.89 4.22 0.00 1.84 1.81 0.00 1.94 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.52 7.81 4 I 8.16 4.41 1.76 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 1.25 0.44 0.67 0.00 0.00 5 I 8.49 4.00 1.78 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 1.18 0.48 0.86 0.00 0.00 6 H 8.77 4.97 0.00 3.07 3.34 0.00 5.69 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.61 4.60 0.00 1.69 1.72 0.94 0.55 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 8 T 8.11 4.99 4.28 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 1.25 0.00 0.00 9 D 8.66 4.54 0.00 2.74 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 10 D 8.13 4.66 0.00 2.68 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 11 S 7.80 4.60 0.00 4.02 4.12 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 0.00 0.00 0.00 12 F 7.82 3.95 0.00 3.45 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 13 E 8.33 3.91 0.00 2.16 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 2.39 2.47 0.00 14 T 7.68 3.82 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 1.18 0.00 0.00 15 D 7.77 4.36 0.00 2.59 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 16 V 7.39 3.73 0.67 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 -0.34 0.00 0.00 -0.08 0.00 0.00 17 L 7.34 4.00 0.00 1.83 1.74 1.13 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.09 4.38 0.00 1.67 1.79 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.35 7.81 19 A 7.38 4.09 1.26 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 20 D 8.61 4.85 0.00 2.64 2.60 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 21 G 6.97 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 7.87 5.06 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 23 I 8.89 4.78 1.78 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 1.06 0.76 0.77 0.00 0.00 24 L 8.89 4.85 0.00 1.76 1.55 1.08 0.52 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 25 V 8.92 4.53 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 0.38 0.00 0.00 0.81 0.00 0.00 26 D 9.01 5.23 0.00 2.72 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 0.00 0.00 0.00 0.00 27 F 9.30 5.24 0.00 3.15 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 28 W 8.95 5.56 0.00 3.41 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 29 A 7.97 3.99 0.23 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 30 E 8.27 4.06 0.00 1.86 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 2.36 2.45 0.00 31 W 7.55 4.35 0.00 3.54 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 32 C 7.37 4.66 0.00 2.08 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 33 G 8.81 3.70 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 0.00 0.00 0.00 34 P 0.00 4.32 0.00 2.28 2.34 0.00 3.67 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 35 C 8.21 4.20 0.00 3.24 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 36 K 7.64 3.75 0.00 1.85 1.87 0.00 1.75 0.00 0.00 1.95 0.00 0.00 3.18 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.70 7.81 37 M 7.72 4.15 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 38 I 7.76 3.95 1.80 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.40 0.90 0.00 0.00 39 A 7.49 3.76 1.12 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 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.49 0.00 2.24 2.28 0.00 3.90 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 2.12 1.87 0.00 41 I 7.50 3.90 2.01 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.53 0.89 0.00 0.00 42 L 8.05 3.95 0.00 1.71 1.61 0.76 0.86 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 43 D 7.85 4.33 0.00 2.82 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 44 E 7.88 4.11 0.00 2.23 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 2.33 2.34 0.00 45 I 7.96 3.88 1.96 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.93 0.73 0.00 0.00 46 A 8.18 4.02 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 47 D 7.96 4.45 0.00 2.89 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 48 E 8.25 4.15 0.00 2.07 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 2.35 2.69 0.00 49 Y 8.27 4.59 0.00 3.09 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 50 Q 7.12 4.00 0.00 2.29 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.40 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 51 G 9.18 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 52 K 7.91 4.41 0.00 2.03 1.97 0.00 1.66 0.00 0.00 1.84 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.34 7.81 53 L 7.50 4.70 0.00 1.75 1.62 0.87 0.43 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 54 T 8.42 4.66 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 1.17 0.00 0.00 55 V 8.19 4.71 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 0.97 0.00 0.00 0.89 0.00 0.00 56 A 8.78 5.05 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 57 K 9.25 4.99 0.00 1.66 1.75 0.00 1.37 0.00 0.00 1.36 0.00 0.00 2.13 0.00 0.00 2.42 0.00 0.00 0.00 0.00 1.10 1.18 7.81 58 L 8.93 4.99 0.00 1.61 1.24 0.98 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.77 4.09 0.00 2.21 2.47 0.00 0.00 6.92 7.87 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 60 I 8.70 4.09 1.89 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.53 1.03 0.00 0.00 61 D 8.24 4.47 0.00 2.77 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 62 Q 8.13 4.14 0.00 1.96 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 7.16 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 63 N 7.93 4.99 0.00 2.75 3.06 0.00 0.00 7.04 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.67 0.00 2.17 2.17 0.00 3.50 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.92 0.00 65 G 8.87 3.75 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 0.00 0.00 0.00 66 T 8.10 3.89 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 0.61 0.00 0.00 67 A 8.07 3.65 1.20 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 68 P 0.00 4.18 0.00 2.10 2.07 0.00 3.57 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 69 K 7.69 3.85 0.00 1.41 1.41 0.00 1.57 0.00 0.00 1.60 0.00 0.00 3.13 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.48 7.81 70 Y 7.38 4.65 0.00 2.77 2.92 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 0.00 0.00 0.00 71 G 7.61 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 72 I 7.43 3.71 1.63 0.00 0.00 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 1.04 -0.30 0.80 0.00 0.00 73 R 7.82 4.44 0.00 1.75 1.75 0.00 3.21 0.00 0.00 3.23 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 74 G 8.13 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 7.99 4.75 1.98 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.68 0.99 0.00 0.00 76 P 0.00 4.77 0.00 2.15 2.25 0.00 3.64 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.99 0.00 77 T 8.73 4.99 4.37 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 1.29 0.00 0.00 78 L 9.03 5.05 0.00 1.37 1.60 0.77 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.88 5.02 0.00 1.82 1.29 0.86 0.22 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 80 L 9.15 4.77 0.00 1.76 1.48 0.96 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 81 F 9.57 5.07 0.00 3.03 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 K 8.98 4.73 0.00 1.65 1.70 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.36 7.81 83 N 9.56 4.41 0.00 2.86 2.90 0.00 0.00 7.23 7.18 0.00 0.00 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 G 8.87 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 85 E 8.05 4.77 0.00 2.09 1.88 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 2.29 2.29 0.00 86 V 8.33 3.57 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 0.57 0.00 0.00 0.12 0.00 0.00 87 A 8.90 4.52 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.60 4.75 0.99 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 89 T 8.77 5.14 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 1.22 0.00 0.00 90 K 9.02 4.36 0.00 0.79 0.96 0.00 0.79 0.00 0.00 1.14 0.00 0.00 2.78 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.89 1.12 7.81 91 V 8.72 4.60 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 0.86 0.00 0.00 0.92 0.00 0.00 92 G 9.38 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 0.00 0.00 0.00 93 A 7.97 4.31 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 94 L 7.70 4.56 0.00 1.84 1.53 0.81 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.76 4.45 0.00 4.09 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 96 K 8.53 3.99 0.00 1.85 1.86 0.00 1.88 0.00 0.00 1.84 0.00 0.00 3.05 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.55 1.53 7.81 97 G 8.04 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 0.00 0.00 0.00 0.00 98 Q 8.29 4.02 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.72 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 99 L 8.11 3.97 0.00 1.82 1.83 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 100 K 8.23 3.98 0.00 2.07 1.99 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.73 1.80 7.81 101 E 8.04 3.94 0.00 2.22 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 2.37 2.50 0.00 102 F 8.44 4.20 0.00 3.04 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 0.00 103 L 8.30 3.69 0.00 1.69 1.40 0.16 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 104 D 8.91 4.43 0.00 2.83 2.77 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 0.00 105 A 7.75 3.98 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 0.00 106 N 7.50 4.44 0.00 2.30 2.58 0.00 0.00 7.13 8.75 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 0.00 107 L 7.83 4.13 0.00 1.67 1.73 1.04 0.62 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 0.00 108 A 7.20 4.16 1.24 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 0.00 0.00 0.00