NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.3460 8.1849 120.6257 54.5021 43.2492 175.6584 3 L 4.7564 8.7904 123.6549 52.5465 44.5696 174.6729 4 F 5.2419 8.9662 119.9533 55.7306 42.8329 175.0325 5 N 4.7265 9.5028 121.8485 52.6781 37.9746 174.8276 6 K 4.3423 8.5329 124.6227 56.2505 33.0843 177.1525 7 T 4.6120 8.1973 117.7353 61.5478 71.5518 173.8082 8 K 4.1328 9.0713 128.4609 58.9561 32.4207 176.5942 9 S 4.8346 7.6105 109.5580 57.0099 65.8481 173.2571 10 V 4.6090 8.1519 113.4085 59.6222 35.3297 174.6739 11 E 4.8820 8.7218 122.3175 54.2780 32.3270 174.9568 12 F 5.1946 8.5967 118.5012 55.1937 41.4250 173.6692 13 T 4.6015 8.5993 111.1550 59.5083 71.4128 174.2148 14 F 4.1173 8.9629 122.2610 61.2966 39.4265 176.8495 15 G 3.6540 7.7694 108.5742 48.1299 0.0000 173.2546 16 N 4.5805 7.8231 116.6611 52.6395 37.6887 174.3811 17 D 4.5670 8.6742 125.0163 56.5133 41.9913 176.6486 18 T 4.8768 7.7431 106.0979 59.5958 72.0662 173.6374 19 V 4.1752 8.5596 123.1151 60.9914 34.1399 174.2609 20 V 4.6326 8.2252 127.0976 61.0633 33.8389 174.3600 21 I 4.4268 8.2510 129.4273 58.6059 39.0030 173.3987 22 P 4.6843 0.0000 0.0000 63.0980 32.4795 176.7907 23 C 4.8586 8.4378 122.7441 55.7461 42.9841 172.6568 24 F 5.3379 9.0592 124.7678 55.7708 42.3415 174.0379 25 V 4.0360 8.8982 125.9455 62.4904 32.0969 176.7809 26 T 4.4135 8.8782 117.8983 62.0296 69.6858 174.3467 27 N 5.0689 7.5352 119.6454 52.3326 37.7190 174.5930 28 M 4.2925 8.1312 117.2929 56.9420 32.8526 176.3943 29 E 4.4668 9.3699 120.8951 56.9461 31.9674 177.1510 30 A 4.0878 8.2923 120.4310 52.9140 18.7054 176.9344 31 Q 4.6025 8.5740 118.4979 55.4886 30.1512 175.2726 32 N 4.9464 7.6929 117.5914 52.1022 41.9203 175.1675 33 T 4.1170 8.7643 115.8292 64.5272 69.1838 176.1146 34 T 4.1544 8.2443 118.5869 65.6616 68.7396 174.4357 35 E 4.5297 8.3622 118.9109 55.8677 29.9480 175.0038 36 V 5.0366 8.0167 120.0943 61.2379 34.7716 173.7311 37 Y 5.1193 9.1585 127.5597 55.7799 42.2723 173.9881 38 V 5.0543 8.5754 125.6752 61.0451 34.9765 174.0147 39 K 5.2421 9.3321 128.2967 54.6150 35.7169 174.5496 40 W 5.3207 9.6697 127.2902 55.0043 31.9708 175.0944 41 K 5.2758 9.2548 122.6697 54.7564 35.9496 175.1135 42 F 4.7488 8.8563 124.9603 57.1086 43.0109 174.6202 43 K 3.5949 8.9014 125.3698 57.3850 29.4869 176.1259 44 G 3.9284 8.3311 105.1149 45.2645 0.0000 173.9741 45 R 4.5834 7.5335 116.2121 53.8368 31.7429 175.3297 46 D 4.9347 8.6369 120.1467 54.8218 40.2302 176.0785 47 I 4.2282 8.4852 118.6483 61.2231 38.8447 175.3677 48 Y 4.9694 7.5826 122.7614 56.9815 42.1876 172.8606 49 T 5.0610 8.0574 116.0451 59.7321 72.7779 172.3008 50 F 4.8945 8.7935 126.5581 56.5222 42.2309 173.5079 51 D 4.0777 8.1020 127.4139 52.1221 41.3249 177.0020 52 G 3.1929 8.1128 116.8031 48.1068 0.0000 174.3389 53 A 3.9570 7.6928 122.5571 54.7235 18.3941 178.3465 54 L 4.2042 7.8597 112.9311 54.5030 42.6985 175.9964 55 N 4.2488 7.4447 115.1717 53.8725 36.6594 174.1814 56 K 4.7957 7.1597 114.7907 54.9724 37.2322 176.9370 57 S 5.1309 8.7551 118.6474 57.0790 66.2698 173.6242 58 T 4.6826 8.4010 118.9740 61.9652 72.0999 173.5068 59 V 4.9949 8.3111 118.0015 58.9096 36.1278 173.6303 60 P 4.7081 0.0000 0.0000 62.0902 32.6131 177.3876 61 T 3.9577 8.4458 115.7459 66.6485 68.3837 175.6015 62 D 4.5783 8.1341 118.4173 54.6145 40.1964 176.0121 63 F 4.8495 8.1208 120.0728 57.0339 39.8162 177.1680 64 S 4.2774 8.3746 116.5344 60.7633 63.1341 175.0704 65 S 4.3633 8.1541 114.1236 58.7838 63.5048 174.3515 66 A 4.3538 7.8223 124.4124 52.4498 18.6862 176.8985 67 K 4.2936 8.6102 120.2673 55.6689 36.5113 174.5557 68 I 4.6033 7.5975 113.4448 58.9837 41.0917 175.3673 69 E 4.2128 8.3140 122.4263 54.9650 28.9227 177.3439 70 V 3.2586 8.0653 125.1674 65.5998 31.2862 177.3232 71 S 4.3124 7.9476 111.9095 60.0510 63.1298 174.9702 72 Q 4.4759 7.9240 121.1110 55.9311 29.2415 177.0445 73 L 4.2512 7.6235 124.1542 57.6105 41.9498 178.7030 74 L 4.0542 7.8560 117.5767 57.0987 41.8307 177.6779 75 K 4.2195 8.0097 115.7120 57.0163 32.8810 177.6073 76 G 3.9784 8.4369 108.6922 46.3129 0.0000 172.6232 77 D 4.7343 7.9954 120.4543 53.0244 41.8473 176.0326 78 A 4.7362 8.3712 130.1526 51.5370 19.7942 176.3834 79 S 4.3729 8.2593 115.7061 60.4047 63.6633 174.0239 80 L 4.0550 8.1335 126.3821 53.6361 43.5086 175.2604 81 K 5.0084 8.6530 125.2504 54.7457 35.5783 175.0732 82 M 4.9958 8.5185 120.3856 53.4890 35.4266 174.2964 83 D 4.7298 9.0030 120.3554 53.8739 41.6658 178.2385 84 K 3.7944 8.3787 121.8293 59.5913 32.7492 179.5474 85 S 4.0471 7.8788 114.1495 61.1739 62.9311 175.4438 86 D 4.2900 7.7818 120.6523 55.7652 40.9284 177.8614 87 A 4.1391 7.4556 121.1834 54.1263 18.7561 179.1271 88 V 3.7596 7.8248 117.0739 66.0129 31.5434 176.9995 89 S 4.7183 7.8431 110.2510 58.2881 63.5544 174.1496 90 H 4.9904 8.0832 116.3183 54.7481 28.7352 172.8524 91 T 4.7695 8.3771 109.8694 60.6698 71.5309 175.0431 92 G 3.9191 8.6417 107.7518 44.5864 0.0000 172.1589 93 N 4.8243 8.7250 118.7273 53.0459 39.3201 173.9754 94 Y 5.1205 8.8727 120.7289 56.8175 40.6191 175.0791 95 T 4.5230 8.8982 119.0526 61.8827 71.5179 172.1765 96 C 3.6584 8.1362 126.3240 54.2189 44.8310 172.1286 97 E 4.6685 8.7225 127.5663 54.3249 31.8467 174.4463 98 V 5.0251 8.7114 126.4121 61.4759 34.3273 174.6415 99 T 4.7519 9.0976 123.1861 61.8419 72.4066 172.4747 100 E 5.0650 8.7612 125.1806 54.6657 31.0927 176.0894 101 L 4.3706 8.9313 125.2699 54.0915 42.8480 177.2677 102 T 3.9619 8.4913 117.2037 64.3277 68.9466 174.0806 103 R 4.7251 8.2162 122.9384 54.5794 33.5125 174.3917 104 E 4.6207 7.9575 117.5999 55.5650 32.3277 173.6800 105 G 4.0078 8.0234 107.0074 45.7007 0.0000 172.0799 106 E 4.7376 8.3932 116.0602 55.3850 32.3543 174.2066 107 T 4.6733 8.0527 112.6065 60.7381 70.5432 172.7318 108 I 4.5637 8.1212 126.2101 59.4753 39.6471 175.2208 109 I 4.5365 7.9142 123.1450 59.1929 40.9045 173.7814 110 E 4.1794 8.7399 128.5627 55.2927 30.1998 175.1436 111 L 4.3936 8.4510 128.4731 53.9428 42.8300 175.5537 112 K 4.6482 8.5211 125.1162 54.6380 34.8747 174.6442 113 Y 4.4571 8.5678 123.7429 55.8560 40.0038 174.4458 114 R 4.4030 7.6992 127.1355 54.4440 31.9641 175.7298 115 V 3.8725 8.2514 123.4681 63.0451 31.5550 175.2661 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 L 8.18 4.35 0.00 1.61 1.35 0.93 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.79 4.76 0.00 1.52 1.55 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 4 F 8.97 5.24 0.00 2.88 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 5 N 9.50 4.73 0.00 2.71 2.90 0.00 0.00 7.19 6.56 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 6 K 8.53 4.34 0.00 1.85 1.78 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.56 7.81 7 T 8.20 4.61 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 1.32 0.00 0.00 8 K 9.07 4.13 0.00 1.75 1.88 0.00 1.79 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.48 7.81 9 S 7.61 4.83 0.00 4.03 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 10 V 8.15 4.61 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 0.79 0.00 0.00 1.01 0.00 0.00 11 E 8.72 4.88 0.00 1.92 1.82 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 2.16 2.24 0.00 12 F 8.60 5.19 0.00 3.27 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 13 T 8.60 4.60 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 1.20 0.00 0.00 14 F 8.96 4.12 0.00 2.95 3.18 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 15 G 7.77 3.65 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 0.00 0.00 0.00 16 N 7.82 4.58 0.00 2.90 3.04 0.00 0.00 7.03 8.02 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 17 D 8.67 4.57 0.00 2.54 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 18 T 7.74 4.88 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 1.12 0.00 0.00 19 V 8.56 4.18 1.65 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 0.43 0.00 0.00 -0.03 0.00 0.00 20 V 8.23 4.63 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 0.80 0.00 0.00 0.83 0.00 0.00 21 I 8.25 4.43 1.10 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 -0.06 0.96 0.00 0.00 22 P 0.00 4.68 0.00 2.43 2.33 0.00 3.83 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 2.14 2.10 0.00 23 C 8.44 4.86 0.00 3.23 3.15 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 24 F 9.06 5.34 0.00 3.04 2.94 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 0.00 0.00 0.00 25 V 8.90 4.04 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 0.71 0.00 0.00 0.51 0.00 0.00 26 T 8.88 4.41 4.23 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 1.24 0.00 0.00 27 N 7.54 5.07 0.00 2.76 2.83 0.00 0.00 6.10 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 28 M 8.13 4.29 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.46 0.00 29 E 9.37 4.47 0.00 2.04 1.96 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 2.23 2.20 0.00 30 A 8.29 4.09 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 31 Q 8.57 4.60 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.61 0.00 0.00 0.00 0.00 0.00 2.39 2.25 0.00 32 N 7.69 4.95 0.00 2.68 2.63 0.00 0.00 6.89 7.22 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 33 T 8.76 4.12 4.54 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 1.27 0.00 0.00 34 T 8.24 4.15 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 1.22 0.00 0.00 35 E 8.36 4.53 0.00 2.19 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 2.27 2.24 0.00 36 V 8.02 5.04 2.24 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 1.12 0.00 0.00 1.00 0.00 0.00 37 Y 9.16 5.12 0.00 3.09 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 38 V 8.58 5.05 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 1.10 0.00 0.00 1.11 0.00 0.00 39 K 9.33 5.24 0.00 2.08 1.70 0.00 1.69 0.00 0.00 1.88 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.51 7.81 40 W 9.67 5.32 0.00 3.40 3.18 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 41 K 9.25 5.28 0.00 1.68 1.65 0.00 1.61 0.00 0.00 1.56 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.36 7.81 42 F 8.86 4.75 0.00 2.50 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 43 K 8.90 3.59 0.00 1.56 1.62 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.69 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.84 0.21 7.81 44 G 8.33 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 R 7.53 4.58 0.00 2.02 2.04 0.00 2.82 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 46 D 8.64 4.93 0.00 2.70 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 47 I 8.49 4.23 0.59 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 0.74 0.55 0.52 0.00 0.00 48 Y 7.58 4.97 0.00 3.09 2.91 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 49 T 8.06 5.06 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 1.28 0.00 0.00 50 F 8.79 4.89 0.00 3.23 2.99 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 51 D 8.10 4.08 0.00 2.44 2.25 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 52 G 8.11 3.19 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 0.00 53 A 7.69 3.96 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 54 L 7.86 4.20 0.00 1.52 1.66 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 55 N 7.44 4.25 0.00 2.88 2.90 0.00 0.00 6.72 7.00 0.00 0.00 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 7.16 4.80 0.00 1.55 1.58 0.00 1.57 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.57 7.81 57 S 8.76 5.13 0.00 3.80 3.64 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 58 T 8.40 4.68 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 1.19 0.00 0.00 59 V 8.31 4.99 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 1.00 0.00 0.00 1.00 0.00 0.00 60 P 0.00 4.71 0.00 2.51 2.27 0.00 3.91 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.10 0.00 61 T 8.45 3.96 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 1.23 0.00 0.00 62 D 8.13 4.58 0.00 2.76 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 63 F 8.12 4.85 0.00 3.10 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 64 S 8.37 4.28 0.00 4.00 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 0.00 65 S 8.15 4.36 0.00 3.97 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 66 A 7.82 4.35 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 67 K 8.61 4.29 0.00 1.67 1.83 0.00 1.13 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.19 7.81 68 I 7.60 4.60 1.72 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 1.27 0.53 0.60 0.00 0.00 69 E 8.31 4.21 0.00 1.93 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 2.24 2.16 0.00 70 V 8.07 3.26 1.87 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 0.86 0.00 0.00 0.15 0.00 0.00 71 S 7.95 4.31 0.00 4.04 3.94 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 0.00 0.00 0.00 72 Q 7.92 4.48 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.85 0.00 0.00 0.00 0.00 0.00 2.25 2.45 0.00 73 L 7.62 4.25 0.00 1.78 1.71 1.01 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.86 4.05 0.00 1.69 1.73 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 75 K 8.01 4.22 0.00 1.90 1.93 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.51 7.81 76 G 8.44 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 0.00 0.00 0.00 77 D 8.00 4.73 0.00 2.92 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 78 A 8.37 4.74 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 S 8.26 4.37 0.00 3.60 3.74 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 80 L 8.13 4.06 0.00 0.27 0.13 0.19 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.65 5.01 0.00 1.43 1.46 0.00 1.54 0.00 0.00 1.55 0.00 0.00 2.76 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.16 1.11 7.81 82 M 8.52 5.00 0.00 1.89 2.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.22 0.00 83 D 9.00 4.73 0.00 2.59 2.53 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 0.00 0.00 0.00 0.00 84 K 8.38 3.79 0.00 1.93 2.07 0.00 1.19 0.00 0.00 1.68 0.00 0.00 2.57 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.42 1.26 7.81 85 S 7.88 4.05 0.00 3.99 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 86 D 7.78 4.29 0.00 2.71 2.51 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 87 A 7.46 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 V 7.82 3.76 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 0.87 0.00 0.00 1.17 0.00 0.00 89 S 7.84 4.72 0.00 3.93 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 90 H 8.08 4.99 0.00 3.02 2.47 0.00 5.66 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 T 8.38 4.77 4.43 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 1.42 0.00 0.00 92 G 8.64 3.92 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 0.00 0.00 0.00 93 N 8.72 4.82 0.00 2.74 2.82 0.00 0.00 6.67 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 8.87 5.12 0.00 3.15 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 8.90 4.52 4.20 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 1.07 0.00 0.00 96 C 8.14 3.66 0.00 1.23 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 0.00 0.00 0.00 0.00 97 E 8.72 4.67 0.00 1.93 1.83 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 2.20 2.19 0.00 98 V 8.71 5.03 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 0.93 0.00 0.00 1.04 0.00 0.00 99 T 9.10 4.75 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 1.20 0.00 0.00 100 E 8.76 5.07 0.00 1.84 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 2.25 2.32 0.00 101 L 8.93 4.37 0.00 1.49 1.60 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 102 T 8.49 3.96 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 0.00 103 R 8.22 4.73 0.00 1.75 1.78 0.00 3.23 0.00 0.00 3.67 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 104 E 7.96 4.62 0.00 2.02 1.89 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 2.18 2.30 0.00 105 G 8.02 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 0.00 0.00 0.00 106 E 8.39 4.74 0.00 2.03 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 2.17 2.29 0.00 107 T 8.05 4.67 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 0.00 108 I 8.12 4.56 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 1.30 0.77 0.91 0.00 0.00 109 I 7.91 4.54 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 1.30 0.82 0.91 0.00 0.00 110 E 8.74 4.18 0.00 1.97 1.84 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 2.29 2.30 0.00 111 L 8.45 4.39 0.00 1.64 1.58 0.95 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 112 K 8.52 4.65 0.00 1.75 1.69 0.00 1.79 0.00 0.00 1.64 0.00 0.00 3.26 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.47 1.39 7.81 113 Y 8.57 4.46 0.00 2.90 2.87 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 0.00 114 R 7.70 4.40 0.00 1.66 1.56 0.00 3.16 0.00 0.00 3.08 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.51 0.00 115 V 8.25 3.87 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 0.90 0.00 0.00 1.14 0.00 0.00