NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5043 8.2893 120.3524 55.5071 32.3558 174.1799 2 E 4.7237 8.2941 123.1799 54.1728 33.0388 172.8196 3 A 4.5350 8.9838 124.7197 50.3225 21.3390 177.1411 4 K 4.5897 8.6512 124.0185 56.6530 33.8609 174.9472 5 A 4.2469 9.0556 126.9457 51.0880 20.3232 175.8090 6 I 3.2745 9.4343 129.8159 60.8457 36.1828 172.7282 7 A 4.5715 8.8601 128.6925 50.3531 20.6791 175.5880 8 R 4.7982 8.4749 121.6334 55.8687 31.9818 175.3196 9 Y 3.6139 8.8784 113.4468 58.9607 35.6459 172.2059 10 V 3.2666 7.8561 121.0113 65.9758 31.9193 176.0970 11 R 3.7399 8.8879 113.8920 55.3462 27.6081 175.2687 12 I 4.1999 6.6553 115.7007 58.5894 42.1737 174.1184 13 S 4.1239 8.5064 121.4580 57.7447 63.2621 172.8351 14 P 4.1978 0.0000 0.0000 66.1355 30.9509 178.6967 15 R 3.9350 7.9134 114.5681 59.1182 30.6076 178.8618 16 K 4.1158 7.9230 117.6881 59.6632 32.1331 179.4518 17 V 3.5537 7.7522 118.1775 65.4621 31.2386 177.5404 18 R 4.1499 8.1219 115.0248 57.4332 29.6684 176.6785 19 L 4.4663 7.9165 119.5113 56.9693 43.2966 177.5387 20 V 3.9163 6.9949 108.9038 62.7187 32.4379 177.7095 21 V 3.8142 7.8110 119.9996 65.9125 31.6599 178.1336 22 D 4.6885 8.1396 113.6591 54.9493 39.8964 176.5801 23 L 4.6287 8.3944 122.3311 54.7067 43.9524 176.8612 24 I 4.3708 7.5214 109.6271 60.3661 39.3314 175.2902 25 R 3.9075 8.0784 121.0544 58.3057 29.9447 175.8508 26 G 3.9498 8.6183 112.1429 46.1442 0.0000 173.0251 27 K 4.6801 7.6811 118.7304 53.9107 35.0350 175.5756 28 S 4.7592 8.6678 115.3500 57.6929 65.0585 174.7478 29 L 3.8771 8.4294 127.3568 58.5761 41.8821 179.1882 30 E 3.9045 8.2204 118.2953 59.7656 29.6481 177.8237 31 E 3.9171 8.3012 118.0627 59.8253 29.5757 178.7945 32 A 3.8869 8.5289 119.3447 56.0114 18.2825 179.9190 33 R 3.7983 8.6205 116.0063 59.3443 30.2164 178.7715 34 N 4.5138 8.3142 116.0486 57.1989 38.3471 176.7780 35 I 3.5702 8.4265 119.6191 64.8446 37.2173 177.7874 36 L 3.9417 8.2873 118.9504 58.5117 41.7084 179.4914 37 R 3.6305 7.1104 116.0459 59.0719 30.4722 177.7432 38 Y 4.7832 7.6053 114.9712 58.1783 38.3626 176.1570 39 T 4.5315 7.6908 115.6138 61.6884 71.1641 174.1170 40 N 4.6652 8.4833 124.7528 52.9494 38.8659 173.9009 41 K 4.2553 7.9057 123.1754 56.4881 35.5270 175.0543 42 R 4.3391 8.6813 119.5273 57.2715 30.9906 178.4562 43 G 3.8277 8.4072 104.3359 48.7326 0.0000 175.3893 44 A 3.9788 8.0233 123.6817 55.2411 18.5149 178.4503 45 Y 4.0318 8.1257 116.6133 61.4683 38.8211 178.4960 46 F 4.0675 8.1418 117.6686 60.6497 38.9359 177.8610 47 V 3.6601 7.8553 116.7771 65.5790 31.4678 177.8789 48 A 4.0449 8.6584 121.1454 55.2252 18.2470 179.6169 49 K 3.4529 7.7726 117.1216 58.8177 31.7011 178.6896 50 V 4.4534 7.1121 116.9605 61.3951 32.0930 176.1004 51 L 4.5247 8.3333 123.0623 56.9012 43.8763 177.7026 52 E 4.0541 7.9725 117.7526 59.4401 30.1427 179.3008 53 S 4.6141 7.3247 112.8960 57.3273 61.0488 174.1700 54 A 4.6259 7.5176 119.1610 51.4355 24.0201 178.0957 55 A 4.3403 9.2940 118.5444 54.1715 19.2850 179.3001 56 A 3.8918 7.8243 118.7998 55.4531 18.4899 179.2034 57 N 4.3428 8.1617 111.7210 55.1718 38.7357 176.0451 58 A 4.4276 7.8457 122.6659 53.5439 20.1127 179.2037 59 V 3.7676 7.3799 115.7695 65.3728 32.0010 177.0229 60 N 4.7065 8.3220 113.8988 54.6554 38.8892 174.6149 61 N 5.0426 7.8705 110.9072 53.9789 41.1379 174.8154 62 H 4.6067 8.4397 111.4829 55.8133 32.6814 174.1382 63 D 4.3393 7.4309 112.1126 55.0163 37.5299 173.1474 64 M 4.4846 8.0203 126.9439 54.6473 33.2565 174.5599 65 L 3.3581 8.2671 120.4344 55.2838 40.5765 174.2896 66 E 3.9686 8.7447 126.9063 59.5511 29.6095 177.9048 67 D 4.8414 8.0992 115.1480 54.9025 40.7552 176.4304 68 R 4.6729 8.0708 118.0059 55.7070 33.1520 175.2726 69 L 5.5275 8.0762 119.9432 54.0817 42.6915 175.6252 70 Y 5.1069 8.7429 121.8425 54.7642 41.8939 174.5144 71 V 3.7879 8.3857 123.1678 63.2673 30.0717 176.1832 72 K 3.3629 7.9619 125.0911 58.5176 32.8505 176.2200 73 A 4.4027 7.6750 119.0581 51.4640 23.1369 175.1963 74 A 4.9550 8.2356 118.2188 51.9758 21.8518 175.1187 75 Y 4.7331 7.8130 117.9601 56.7716 42.0296 172.7111 76 V 4.7119 8.4866 118.3165 60.1007 34.1282 174.7798 77 D 5.0340 8.6584 123.9986 52.4852 43.8075 175.0437 78 E 4.4176 8.6900 122.0346 55.8888 30.7302 176.2802 79 G 4.0127 8.9504 115.5586 43.5980 0.0000 170.9604 80 P 4.4239 0.0000 0.0000 62.4967 31.5904 176.3354 81 A 3.9899 8.5142 127.2624 51.8399 19.2689 176.6608 82 L 4.2234 8.4082 123.3848 53.8260 42.5957 176.3618 83 K 4.5910 8.5117 124.6233 55.8722 32.8184 176.8700 84 R 4.7466 8.6231 122.9007 54.2821 34.6236 174.3983 85 V 4.5681 8.2691 120.3032 61.3727 33.3378 174.6474 86 L 4.5740 9.6904 130.9223 52.6644 43.4390 173.6099 87 P 4.7189 0.0000 0.0000 62.6233 31.8635 175.9702 88 R 4.7545 8.3844 123.2630 53.7599 33.7366 174.9298 89 A 4.0683 8.3633 124.2419 53.5070 18.8573 177.7483 90 R 3.7621 8.8722 117.7076 57.4630 27.0673 176.8734 91 G 4.0933 8.4992 102.3453 46.4570 0.0000 177.3966 92 R 4.2467 7.3770 116.1964 56.2174 29.6491 175.9044 93 A 4.4127 7.7671 119.7625 52.6046 21.3613 176.0704 94 D 4.9550 8.6137 122.4248 52.2828 45.2138 174.8822 95 I 4.5150 8.4210 116.7158 60.0027 39.0900 174.7570 96 I 4.1662 8.5280 128.8251 59.3450 39.3775 174.8873 97 K 4.1050 8.6282 130.1369 55.5209 31.7211 177.0917 98 K 4.3393 8.7566 126.3525 54.9245 30.3021 176.4845 99 R 4.1911 8.1666 122.6310 57.0477 31.7370 175.1066 100 T 4.8457 8.1698 114.7134 60.7608 71.4714 172.3982 101 S 4.9418 8.1577 120.0207 57.4725 67.3792 172.0630 102 H 5.4793 8.5587 114.6923 52.8280 31.1457 172.4891 103 I 4.7444 8.3663 124.4141 60.1511 39.1494 174.7265 104 T 4.8762 8.5802 116.7086 59.7395 71.8520 172.9386 105 V 4.8815 8.4057 124.0066 60.9469 35.0522 173.7717 106 I 4.8617 9.0254 121.6822 59.4551 39.9870 175.1380 107 L 4.9659 8.6231 127.9790 53.6071 44.4250 175.0483 108 G 4.1081 8.2941 106.4718 46.4832 0.0000 172.0833 109 E 5.5001 9.0708 122.7259 54.2256 32.7612 173.8688 110 K 4.3064 8.8636 118.3307 56.5747 34.0619 175.8451 111 H 4.9333 8.0584 117.1588 54.8566 32.0126 176.8771 112 G 3.7931 7.6500 117.6161 46.5365 0.0000 174.4419 113 K 4.1641 9.0553 127.7093 54.3782 31.8505 176.5946 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 M 8.29 4.50 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.70 0.00 2 E 8.29 4.72 0.00 2.15 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 2.15 2.36 0.00 3 A 8.98 4.54 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 4 K 8.65 4.59 0.00 1.77 1.69 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.44 7.81 5 A 9.06 4.25 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 6 I 9.43 3.27 1.83 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 1.27 0.41 0.84 0.00 0.00 7 A 8.86 4.57 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 8 R 8.47 4.80 0.00 1.78 2.05 0.00 3.27 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.56 0.00 9 Y 8.88 3.61 0.00 2.93 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 10 V 7.86 3.27 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 -0.36 0.00 0.00 0.86 0.00 0.00 11 R 8.89 3.74 0.00 1.90 2.05 0.00 3.50 0.00 0.00 3.13 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.66 0.00 12 I 6.66 4.20 1.73 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.70 0.72 0.00 0.00 13 S 8.51 4.12 0.00 3.90 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 14 P 0.00 4.20 0.00 2.16 2.07 0.00 3.61 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 15 R 7.91 3.93 0.00 1.78 2.00 0.00 3.21 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 16 K 7.92 4.12 0.00 2.04 1.88 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.50 7.81 17 V 7.75 3.55 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 1.12 0.00 0.00 0.97 0.00 0.00 18 R 8.12 4.15 0.00 2.00 1.93 0.00 3.31 0.00 0.00 3.18 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 19 L 7.92 4.47 0.00 1.75 1.73 0.93 1.17 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 20 V 6.99 3.92 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 0.73 0.00 0.00 1.05 0.00 0.00 21 V 7.81 3.81 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 0.87 0.00 0.00 1.01 0.00 0.00 22 D 8.14 4.69 0.00 2.73 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 23 L 8.39 4.63 0.00 1.65 1.87 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.52 4.37 1.89 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 1.51 0.58 0.93 0.00 0.00 25 R 8.08 3.91 0.00 1.80 1.93 0.00 3.33 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 26 G 8.62 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 27 K 7.68 4.68 0.00 1.93 1.92 0.00 1.86 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.66 7.81 28 S 8.67 4.76 0.00 4.14 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 29 L 8.43 3.88 0.00 1.90 1.78 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.22 3.90 0.00 2.09 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 2.40 2.42 0.00 31 E 8.30 3.92 0.00 2.31 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 2.36 2.37 0.00 32 A 8.53 3.89 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 33 R 8.62 3.80 0.00 1.95 2.02 0.00 3.17 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.98 0.00 34 N 8.31 4.51 0.00 3.08 2.93 0.00 0.00 6.98 6.71 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 35 I 8.43 3.57 2.04 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 1.73 1.17 0.94 0.00 0.00 36 L 8.29 3.94 0.00 1.69 1.75 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.11 3.63 0.00 1.84 2.10 0.00 2.99 0.00 0.00 3.02 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.50 0.00 38 Y 7.61 4.78 0.00 3.05 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 39 T 7.69 4.53 4.42 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 1.25 0.00 0.00 40 N 8.48 4.67 0.00 2.69 2.77 0.00 0.00 7.00 6.68 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 41 K 7.91 4.26 0.00 1.77 1.69 0.00 1.83 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.24 1.25 7.81 42 R 8.68 4.34 0.00 1.80 2.01 0.00 3.27 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.65 0.00 43 G 8.41 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 44 A 8.02 3.98 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 45 Y 8.13 4.03 0.00 2.89 2.84 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 0.00 0.00 0.00 46 F 8.14 4.07 0.00 3.31 3.06 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 47 V 7.86 3.66 2.22 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 0.82 0.00 0.00 0.99 0.00 0.00 48 A 8.66 4.04 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 49 K 7.77 3.45 0.00 1.67 1.76 0.00 0.88 0.00 0.00 1.54 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.30 1.10 7.81 50 V 7.11 4.45 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 0.81 0.00 0.00 0.95 0.00 0.00 51 L 8.33 4.52 0.00 1.78 1.78 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 52 E 7.97 4.05 0.00 2.06 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 2.35 2.32 0.00 53 S 7.32 4.61 0.00 3.92 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 54 A 7.52 4.63 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 55 A 9.29 4.34 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 56 A 7.82 3.89 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 57 N 8.16 4.34 0.00 2.70 2.92 0.00 0.00 6.77 7.35 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 58 A 7.85 4.43 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 59 V 7.38 3.77 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 1.05 0.00 0.00 0.98 0.00 0.00 60 N 8.32 4.71 0.00 2.69 2.91 0.00 0.00 7.07 7.51 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 61 N 7.87 5.04 0.00 2.88 2.78 0.00 0.00 6.78 8.16 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 62 H 8.44 4.61 0.00 3.22 3.28 0.00 5.94 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.43 4.34 0.00 2.90 2.88 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 64 M 8.02 4.48 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.51 0.00 65 L 8.27 3.36 0.00 1.83 1.61 0.93 0.81 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 66 E 8.74 3.97 0.00 2.05 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 2.40 2.37 0.00 67 D 8.10 4.84 0.00 2.76 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 68 R 8.07 4.67 0.00 2.08 2.00 0.00 3.14 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 69 L 8.08 5.53 0.00 1.69 1.66 0.94 0.82 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 70 Y 8.74 5.11 0.00 3.19 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 71 V 8.39 3.79 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 0.95 0.00 0.00 1.04 0.00 0.00 72 K 7.96 3.36 0.00 1.66 1.69 0.00 1.84 0.00 0.00 1.75 0.00 0.00 3.40 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.75 1.24 7.81 73 A 7.68 4.40 1.15 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 74 A 8.24 4.95 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 75 Y 7.81 4.73 0.00 3.01 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 76 V 8.49 4.71 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 0.87 0.00 0.00 77 D 8.66 5.03 0.00 2.68 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 78 E 8.69 4.42 0.00 1.95 1.79 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 2.19 2.25 0.00 79 G 8.95 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 80 P 0.00 4.42 0.00 1.93 1.97 0.00 3.41 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.51 0.00 81 A 8.51 3.99 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 82 L 8.41 4.22 0.00 1.81 1.60 0.85 0.77 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 83 K 8.51 4.59 0.00 1.62 1.74 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.59 7.81 84 R 8.62 4.75 0.00 1.69 1.77 0.00 3.25 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 85 V 8.27 4.57 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 0.80 0.00 0.00 0.92 0.00 0.00 86 L 9.69 4.57 0.00 1.79 1.66 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.72 0.00 1.97 1.97 0.00 3.67 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 2.02 2.08 0.00 88 R 8.38 4.75 0.00 1.75 1.78 0.00 3.29 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 89 A 8.36 4.07 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 90 R 8.87 3.76 0.00 1.99 2.08 0.00 3.36 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 91 G 8.50 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 R 7.38 4.25 0.00 1.89 1.82 0.00 3.22 0.00 0.00 3.22 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 93 A 7.77 4.41 1.17 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 0.00 0.00 94 D 8.61 4.96 0.00 2.76 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 95 I 8.42 4.51 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.55 0.90 0.00 0.00 96 I 8.53 4.17 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.38 0.90 0.00 0.00 97 K 8.63 4.10 0.00 1.66 1.74 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.45 7.81 98 K 8.76 4.34 0.00 1.87 1.73 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.40 7.81 99 R 8.17 4.19 0.00 1.68 1.82 0.00 3.41 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.57 0.00 100 T 8.17 4.85 4.09 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 0.00 0.00 0.00 0.96 0.00 0.00 101 S 8.16 4.94 0.00 3.96 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 0.00 102 H 8.56 5.48 0.00 3.17 3.59 0.00 5.72 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 8.37 4.74 1.83 0.00 0.00 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 1.36 0.70 0.95 0.00 0.00 104 T 8.58 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 0.99 0.00 0.00 105 V 8.41 4.88 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 1.15 0.00 0.00 0.93 0.00 0.00 106 I 9.03 4.86 1.85 0.00 0.00 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 1.30 0.56 0.93 0.00 0.00 107 L 8.62 4.97 0.00 1.64 1.64 1.02 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 108 G 8.29 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 0.00 109 E 9.07 5.50 0.00 1.86 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 0.00 2.23 2.15 0.00 110 K 8.86 4.31 0.00 1.44 1.55 0.00 1.32 0.00 0.00 1.07 0.00 0.00 2.84 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.12 1.33 7.81 111 H 8.06 4.93 0.00 3.28 3.21 0.00 5.62 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 0.00 112 G 7.65 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 0.00 113 K 9.06 4.16 0.00 1.79 1.58 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.34 1.00 7.81