NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1646 8.1727 122.0471 56.2789 33.9605 173.9692 2 V 4.1932 8.2956 128.1859 61.3946 31.8685 174.8862 3 F 4.3785 9.8042 128.6248 57.5374 40.5146 174.4086 4 E 4.5666 9.2505 119.8450 55.2102 31.6712 177.4681 5 R 3.4346 8.7754 121.3668 60.1502 30.1477 179.7090 6 C 4.3121 8.0634 115.5854 59.6437 38.9852 175.6006 7 E 3.8857 8.1234 120.6347 59.1627 29.2947 178.4691 8 L 3.4214 7.7482 119.8047 58.0688 41.7215 178.7140 9 A 4.0078 7.8699 120.5767 55.2352 18.1951 179.8426 10 R 3.9811 8.1806 116.6652 59.3638 30.3149 179.1350 11 T 3.8312 8.0671 115.9618 66.8120 68.5846 176.6505 12 L 3.8684 8.1395 121.1141 57.4368 41.6547 179.5414 13 K 3.9351 7.6622 118.4757 59.5915 31.9321 179.1147 14 R 3.9640 7.8592 117.2775 59.0391 30.0706 178.2256 15 L 4.2777 7.3885 115.3461 54.6573 41.6839 177.5007 16 G 3.8686 7.7384 106.8268 46.4345 0.0000 175.0973 17 M 3.9972 7.8178 121.7534 57.1831 32.1462 175.9208 18 D 4.4929 8.0714 118.2764 55.7480 41.4826 175.9518 19 G 3.9122 9.2179 115.4725 45.5101 0.0000 171.5804 20 Y 4.1415 8.1148 121.9835 58.2847 38.7271 175.7092 21 R 3.6605 8.8671 126.5399 57.1803 28.3766 176.6259 22 G 3.7622 8.0582 102.1114 44.8294 0.0000 174.0799 23 I 3.9256 7.5723 122.0967 59.2497 36.9616 175.8193 24 S 4.6169 8.2285 121.1405 58.0927 64.8801 174.8097 25 L 4.2653 8.5933 122.9691 58.1288 41.7497 178.4051 26 A 4.1738 8.2292 120.3865 55.6957 18.1852 179.2673 27 N 4.5192 7.9511 113.3769 56.1314 38.6176 177.8014 28 W 4.4350 7.9070 120.3115 59.7844 29.0563 178.5988 29 M 4.1991 8.3988 119.0328 58.3336 31.4766 177.7731 30 C 3.2336 7.8855 118.6007 59.3373 42.8383 175.1295 31 L 4.0581 8.2450 121.6443 58.4367 41.7308 178.7279 32 A 4.1848 8.3881 120.5052 54.9703 18.3115 179.3649 33 K 2.8072 8.6588 118.3543 59.3716 32.0570 178.9679 34 W 4.2927 7.7601 116.6665 58.5766 29.1084 178.2032 35 E 4.4068 8.2873 119.0885 58.3090 29.4710 177.3915 36 S 4.5065 7.8503 109.3914 56.6879 64.5264 174.8006 37 G 3.5549 8.5948 108.5194 46.7266 0.0000 173.6899 38 Y 3.7791 7.8348 114.3455 58.2875 34.3987 167.6423 39 N 5.4107 7.7206 119.2622 51.7901 40.4460 175.7857 40 T 4.0179 8.5685 116.7345 64.6867 69.1758 176.9771 41 R 3.8881 8.5146 120.4887 58.6647 30.4731 176.2755 42 A 4.0707 7.5009 119.0911 51.1807 18.9286 176.8501 43 T 4.9156 8.5226 112.4754 60.2311 71.8021 173.0776 44 N 4.8784 8.8995 124.9461 51.4719 41.0165 172.6507 45 Y 4.6552 8.6199 128.0609 57.4127 40.5032 174.4381 46 N 5.0153 7.7150 122.2158 52.1876 37.5854 175.5806 47 A 3.7594 7.3316 124.3521 55.0727 19.5672 179.5327 48 G 3.6974 7.8853 103.9249 48.4678 0.0000 173.9037 49 D 4.5486 7.8148 117.7726 51.6649 40.3459 176.1372 50 R 3.4853 8.0869 117.9367 56.8192 28.1310 175.0653 51 S 4.9180 7.0152 111.7794 56.9601 66.9702 173.3880 52 T 5.0203 8.4369 114.4336 62.0344 72.9779 172.9855 53 D 5.4342 8.6734 125.0998 53.0322 43.1408 174.9796 54 Y 5.1322 9.4907 121.5311 57.3936 41.3083 177.7020 55 G 4.2597 8.8491 111.8636 45.5854 0.0000 173.3439 56 I 3.9613 8.3823 116.9888 63.1546 37.7658 177.4856 57 F 4.7659 7.9985 115.0875 56.5950 39.7001 175.2377 58 Q 3.5795 8.1341 119.2453 57.1151 26.6344 174.4082 59 I 4.3349 8.4307 119.2075 61.4410 39.1183 176.7537 60 N 5.4028 9.2519 126.2169 53.2297 39.9002 175.4994 61 S 5.3000 9.3798 120.7956 59.9050 62.8926 175.3719 62 R 3.8539 8.4536 121.7974 58.6905 30.1246 177.3397 63 Y 3.8212 7.5797 113.0315 57.8991 39.0492 176.2759 64 W 5.0097 7.8671 116.5564 56.4504 31.7384 172.9953 65 C 5.2205 8.0393 111.6657 53.4870 42.2238 172.2491 66 N 5.2715 8.9261 118.6357 51.2755 39.1446 174.5726 67 D 4.7554 8.7567 119.8597 52.4196 40.2856 177.9373 68 G 4.1961 8.2488 112.1760 46.3802 0.0000 175.4110 69 K 4.1365 8.1563 118.0284 59.2459 33.1048 177.9325 70 T 3.9460 7.9059 117.0037 62.7435 68.6179 172.3596 71 P 4.3155 0.0000 0.0000 63.5275 32.3237 176.2889 72 G 3.8315 8.5915 105.9739 46.4017 0.0000 171.3704 73 A 4.7021 7.2845 121.8234 50.1222 23.4275 176.5507 74 V 3.6450 7.6304 112.8748 61.3216 32.0686 176.8385 75 N 4.4860 8.8436 122.2346 52.1440 38.5078 175.1962 76 A 4.5902 8.4513 121.8229 52.1520 17.6604 177.9451 77 A 4.6855 7.6733 122.9996 52.9681 22.0121 177.5869 78 H 4.5864 7.8798 113.0299 55.6222 31.0666 174.5242 79 L 4.4583 8.5756 121.2566 55.2071 43.9322 177.3055 80 S 4.8165 8.5341 120.1646 58.0919 63.4719 175.7517 81 C 4.1930 8.5853 124.0882 59.6047 36.8896 176.5712 82 S 3.9210 7.8520 116.1113 61.4224 62.1857 176.3332 83 A 4.2381 7.6299 122.7376 54.4985 18.3046 178.5610 84 L 4.4226 7.8244 115.8238 55.1090 41.7438 177.6464 85 L 4.9788 7.8969 118.3748 54.4786 42.3893 176.6414 86 Q 4.3472 7.7072 117.9580 55.3379 29.5743 175.9668 87 D 4.4114 8.5141 119.3638 57.2476 41.0887 177.1656 88 N 4.5455 8.0276 117.7822 53.3810 39.5271 174.6921 89 I 4.2816 8.4020 118.2521 60.9502 38.0178 177.0893 90 A 3.9237 8.0569 124.4795 55.9916 18.0556 179.9742 91 D 4.2658 8.0638 116.4685 57.4209 40.9071 178.6754 92 A 4.0607 7.9765 120.8853 55.0870 18.4368 179.7389 93 V 3.4284 8.0849 116.7644 65.9840 31.5041 178.0766 94 A 3.8812 8.0128 120.6805 55.4233 18.1830 179.2237 95 C 4.2021 8.4682 117.0921 62.1861 31.4762 175.6051 96 A 3.9855 8.0983 122.9037 55.1453 17.6948 179.7820 97 K 4.1063 7.7004 115.7395 59.3983 32.2329 179.4386 98 R 3.9904 7.5266 117.7383 59.3191 29.6654 178.3351 99 V 2.0000 7.2906 118.0731 65.8729 31.2482 178.0442 100 V 3.8039 7.5206 109.6030 62.6322 31.3262 178.0137 101 R 3.9581 7.8806 118.5872 57.7783 30.5466 176.3415 102 D 4.5381 7.3502 118.7517 53.4129 41.5980 175.2609 103 P 4.1718 0.0000 0.0000 66.1302 31.1243 177.6210 104 Q 4.0457 8.2382 116.1901 56.3080 29.6453 177.5158 105 G 3.7451 7.8341 108.8236 47.3736 0.0000 177.1540 106 I 3.4941 7.8278 123.0089 63.2903 37.7283 177.4304 107 R 4.2340 7.4885 117.9759 57.7467 30.0310 177.3357 108 A 3.7798 7.5225 121.3835 54.2024 18.4803 177.5264 109 W 4.6436 8.2983 117.0370 55.2046 29.3474 176.9165 110 V 3.6660 8.7526 124.3623 66.2455 30.5896 177.5278 111 A 4.0840 8.3065 119.8510 54.9748 18.2849 179.0929 112 W 4.0914 8.7185 126.9184 60.6533 30.3861 178.4370 113 R 3.8017 8.1639 117.4148 59.2919 29.4505 178.4639 114 N 4.1219 7.9754 114.6361 56.3071 38.6925 176.9505 115 R 3.9972 7.8632 116.9635 56.7797 31.0196 176.6411 116 C 4.4428 7.7541 114.3879 56.9260 40.6880 174.4462 117 Q 3.0207 6.2125 121.0905 57.0514 28.9077 175.7310 118 N 4.3392 8.5992 121.0369 54.1125 36.3854 173.7739 119 R 4.5697 7.0289 110.5826 53.9988 32.7859 174.8618 120 D 4.5051 8.4570 117.9677 54.4273 40.0138 176.0623 121 V 4.5472 8.2156 118.3229 61.5617 31.8940 177.8237 122 R 4.0949 8.1999 120.9841 59.2006 29.3519 178.4721 123 Q 3.9747 8.1374 117.1517 59.6037 27.9383 178.5997 124 Y 4.2139 7.5501 117.3907 60.4839 38.2740 177.6790 125 V 4.3782 7.8188 111.1833 59.6382 31.7950 175.4683 126 Q 4.0592 7.1729 117.5535 57.7201 28.2741 176.9928 127 G 3.9248 8.8557 109.9682 46.3785 0.0000 174.4206 128 C 4.3421 8.3420 116.0966 56.5959 41.0656 173.4619 129 G 3.8224 8.0862 107.3988 46.2159 0.0000 174.1767 130 V 4.0276 7.2869 114.0056 61.6977 32.7188 175.8965 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 K 8.17 4.16 0.00 1.99 1.59 0.00 1.30 0.00 0.00 0.97 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.89 1.15 7.81 2 V 8.30 4.19 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 0.87 0.00 0.00 0.94 0.00 0.00 3 F 9.80 4.38 0.00 3.06 2.80 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 4 E 9.25 4.57 0.00 2.04 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 2.26 2.38 0.00 5 R 8.78 3.43 0.00 1.96 1.94 0.00 3.49 0.00 0.00 3.46 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.79 0.00 6 C 8.06 4.31 0.00 3.00 3.11 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 7 E 8.12 3.89 0.00 2.07 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 0.00 2.69 2.47 0.00 8 L 7.75 3.42 0.00 1.21 1.32 -0.20 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.87 4.01 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 10 R 8.18 3.98 0.00 2.01 1.97 0.00 3.14 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.88 0.00 11 T 8.07 3.83 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 1.16 0.00 0.00 12 L 8.14 3.87 0.00 1.55 1.56 0.90 0.29 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 13 K 7.66 3.94 0.00 2.02 2.02 0.00 1.54 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.52 7.81 14 R 7.86 3.96 0.00 1.99 1.95 0.00 3.20 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 15 L 7.39 4.28 0.00 1.61 1.56 0.83 0.84 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 16 G 7.74 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 17 M 7.82 4.00 0.00 1.31 1.96 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.24 0.00 18 D 8.07 4.49 0.00 2.69 2.67 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 19 G 9.22 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 20 Y 8.11 4.14 0.00 3.45 3.28 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 21 R 8.87 3.66 0.00 1.43 1.79 0.00 3.18 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 1.46 1.50 0.00 22 G 8.06 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 23 I 7.57 3.93 1.70 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 0.75 0.56 -0.47 0.00 0.00 24 S 8.23 4.62 0.00 4.11 4.06 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 0.00 0.00 0.00 25 L 8.59 4.27 0.00 2.03 1.80 0.98 1.64 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 26 A 8.23 4.17 1.51 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 27 N 7.95 4.52 0.00 2.72 2.82 0.00 0.00 7.05 7.55 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 28 W 7.91 4.44 0.00 3.58 3.10 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 29 M 8.40 4.20 0.00 2.22 2.40 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.99 0.00 30 C 7.89 3.23 0.00 2.59 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 31 L 8.24 4.06 0.00 1.94 1.96 0.65 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.39 4.18 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 33 K 8.66 2.81 0.00 1.62 1.74 0.00 0.61 0.00 0.00 0.73 0.00 0.00 2.54 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.01 0.21 7.81 34 W 7.76 4.29 0.00 3.32 3.27 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 0.00 35 E 8.29 4.41 0.00 2.00 2.11 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 2.66 2.40 0.00 36 S 7.85 4.51 0.00 4.10 4.16 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 0.00 0.00 0.00 0.00 37 G 8.59 3.55 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 0.00 38 Y 7.83 3.78 0.00 3.24 3.05 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 39 N 7.72 5.41 0.00 2.76 2.83 0.00 0.00 6.99 8.39 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 40 T 8.57 4.02 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 1.43 0.00 0.00 41 R 8.51 3.89 0.00 1.93 2.07 0.00 3.21 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 1.69 1.73 0.00 42 A 7.50 4.07 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 43 T 8.52 4.92 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 1.44 0.00 0.00 44 N 8.90 4.88 0.00 2.86 2.88 0.00 0.00 6.41 7.11 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 45 Y 8.62 4.66 0.00 3.08 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 46 N 7.71 5.02 0.00 2.42 2.61 0.00 0.00 6.83 7.60 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 47 A 7.33 3.76 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 48 G 7.89 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 49 D 7.81 4.55 0.00 2.76 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 50 R 8.09 3.49 0.00 1.94 2.16 0.00 3.17 0.00 0.00 3.21 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.69 0.00 51 S 7.02 4.92 0.00 4.07 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 52 T 8.44 5.02 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 0.79 0.00 0.00 53 D 8.67 5.43 0.00 2.84 2.80 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 54 Y 9.49 5.13 0.00 2.92 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 55 G 8.85 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 56 I 8.38 3.96 1.65 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.69 -0.22 0.00 0.00 57 F 8.00 4.77 0.00 3.16 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 58 Q 8.13 3.58 0.00 2.41 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.83 0.00 0.00 0.00 0.00 0.00 2.53 2.71 0.00 59 I 8.43 4.33 2.17 0.00 0.00 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 1.57 1.33 1.23 0.00 0.00 60 N 9.25 5.40 0.00 3.07 3.00 0.00 0.00 6.97 7.15 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 61 S 9.38 5.30 0.00 4.04 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 0.00 62 R 8.45 3.85 0.00 1.68 1.68 0.00 2.80 0.00 0.00 2.83 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.19 0.00 63 Y 7.58 3.82 0.00 1.99 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 64 W 7.87 5.01 0.00 3.40 3.32 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 65 C 8.04 5.22 0.00 3.16 3.24 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 66 N 8.93 5.27 0.00 2.92 2.98 0.00 0.00 6.78 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 67 D 8.76 4.76 0.00 3.01 2.95 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 68 G 8.25 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 0.00 0.00 0.00 0.00 69 K 8.16 4.14 0.00 1.94 1.99 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.53 1.65 7.81 70 T 7.91 3.95 4.25 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 1.16 0.00 0.00 71 P 0.00 4.32 0.00 2.16 2.05 0.00 4.05 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 72 G 8.59 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 73 A 7.28 4.70 1.14 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 0.00 0.00 0.00 74 V 7.63 3.65 1.63 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 0.44 0.00 0.00 0.77 0.00 0.00 75 N 8.84 4.49 0.00 2.80 2.95 0.00 0.00 6.17 7.95 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 76 A 8.45 4.59 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 77 A 7.67 4.69 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 78 H 7.88 4.59 0.00 3.21 3.34 0.00 5.65 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.58 4.46 0.00 1.80 1.60 0.99 0.81 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 80 S 8.53 4.82 0.00 3.93 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 81 C 8.59 4.19 0.00 2.32 1.54 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 82 S 7.85 3.92 0.00 4.04 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 83 A 7.63 4.24 1.41 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 0.00 0.00 0.00 84 L 7.82 4.42 0.00 1.87 1.82 1.07 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.90 4.98 0.00 1.67 1.73 1.04 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 7.71 4.35 0.00 2.20 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 7.08 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 87 D 8.51 4.41 0.00 2.61 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 88 N 8.03 4.55 0.00 2.69 2.73 0.00 0.00 6.91 7.94 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 89 I 8.40 4.28 1.76 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.42 0.91 0.00 0.00 90 A 8.06 3.92 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 91 D 8.06 4.27 0.00 2.71 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 92 A 7.98 4.06 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 93 V 8.08 3.43 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 0.74 0.00 0.00 0.86 0.00 0.00 94 A 8.01 3.88 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 95 C 8.47 4.20 0.00 3.22 3.14 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 0.00 96 A 8.10 3.99 0.89 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 97 K 7.70 4.11 0.00 1.73 1.72 0.00 1.26 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.46 1.11 7.81 98 R 7.53 3.99 0.00 1.98 2.09 0.00 3.25 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.71 0.00 99 V 7.29 2.00 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 -0.01 0.00 0.00 -0.26 0.00 0.00 100 V 7.52 3.80 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 1.24 0.00 0.00 1.23 0.00 0.00 101 R 7.88 3.96 0.00 1.85 1.98 0.00 3.29 0.00 0.00 3.27 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 102 D 7.35 4.54 0.00 2.93 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 0.00 103 P 0.00 4.17 0.00 2.14 2.21 0.00 3.78 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 104 Q 8.24 4.05 0.00 2.17 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.91 0.00 0.00 0.00 0.00 0.00 2.29 2.21 0.00 105 G 7.83 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 0.00 106 I 7.83 3.49 1.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 -0.66 0.00 0.00 107 R 7.49 4.23 0.00 2.04 2.02 0.00 3.50 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.84 0.00 108 A 7.52 3.78 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.30 4.64 0.00 3.60 3.40 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 0.00 110 V 8.75 3.67 2.18 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 1.10 0.00 0.00 0.98 0.00 0.00 111 A 8.31 4.08 1.59 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 0.00 112 W 8.72 4.09 0.00 3.47 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 0.00 113 R 8.16 3.80 0.00 2.07 2.01 0.00 3.27 0.00 0.00 3.46 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 114 N 7.98 4.12 0.00 2.73 2.79 0.00 0.00 7.07 7.20 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 0.00 115 R 7.86 4.00 0.00 1.37 1.19 0.00 2.76 0.00 0.00 2.77 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.18 0.00 116 C 7.75 4.44 0.00 1.23 2.59 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 0.00 117 Q 6.21 3.02 0.00 1.14 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.21 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 118 N 8.60 4.34 0.00 2.77 2.80 0.00 0.00 6.78 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 0.00 119 R 7.03 4.57 0.00 1.87 1.77 0.00 3.01 0.00 0.00 2.91 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.47 0.00 120 D 8.46 4.51 0.00 2.65 2.67 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 0.00 121 V 8.22 4.55 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 1.00 0.00 0.00 1.06 0.00 0.00 122 R 8.20 4.09 0.00 1.88 2.02 0.00 3.17 0.00 0.00 3.42 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.87 0.00 123 Q 8.14 3.97 0.00 2.07 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.92 0.00 0.00 0.00 0.00 0.00 1.86 1.42 0.00 124 Y 7.55 4.21 0.00 3.19 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 0.00 125 V 7.82 4.38 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 0.99 0.00 0.00 1.06 0.00 0.00 126 Q 7.17 4.06 0.00 2.18 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.36 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 127 G 8.86 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 0.00 128 C 8.34 4.34 0.00 3.08 3.14 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 0.00 129 G 8.09 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 0.00 130 V 7.29 4.03 2.10 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 0.78 0.00 0.00 0.96 0.00 0.00