NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4370 8.2893 120.3575 55.6368 33.6778 174.3421 2 T 4.5841 7.9220 114.3004 58.5382 72.1092 173.1113 3 Y 4.0194 9.4044 124.2516 61.0291 39.5458 179.2490 4 N 4.5673 8.2827 116.8055 56.1528 38.0501 177.0867 5 N 4.2871 7.8810 117.6310 56.3117 38.6871 177.5830 6 V 3.4395 7.4981 119.1123 65.8845 31.6781 177.6414 7 F 3.8538 8.1881 120.7470 61.2176 39.3790 176.6761 8 D 4.3476 8.4951 118.1754 56.5206 40.5277 178.3178 9 H 4.2697 7.6069 116.3152 58.5599 29.0904 177.3929 10 A 3.8736 7.7203 122.4857 55.1701 18.1172 178.9451 11 Y 3.6642 7.5220 118.0295 60.7987 38.7807 178.0909 12 E 3.8260 7.7868 118.8055 59.1918 29.6569 178.6419 13 M 4.4684 7.8586 120.4009 57.5278 31.9490 178.4419 14 L 3.7789 7.7047 120.6323 57.7483 42.3102 178.9824 15 K 3.6100 7.4201 118.0277 59.4289 31.8612 178.9373 16 E 3.3143 7.7261 118.4201 59.4687 29.3278 179.1935 17 N 4.2641 8.1725 116.6002 56.3155 38.5084 177.5884 18 I 3.4006 7.7435 121.5791 64.1674 37.1375 178.4640 19 R 3.3248 7.1302 118.8852 59.5144 29.6906 178.1437 20 Y 4.4452 7.1844 115.3032 60.2953 37.8298 176.9069 21 D 4.7087 7.4915 116.4764 52.9475 41.9505 175.8432 22 D 4.1829 7.4663 117.2803 55.1704 39.8392 173.7651 23 I 4.1239 7.3940 119.4681 61.0559 38.2900 176.9269 24 R 4.7031 8.5660 121.5270 55.5584 32.4147 174.9873 25 D 4.9155 7.7331 117.3508 52.0684 44.5984 176.1455 26 T 4.0969 8.6341 115.4368 64.5940 68.8808 174.9212 27 D 4.7709 8.5627 119.8759 55.2448 41.2709 175.8061 28 D 5.0271 8.2312 116.3911 54.6519 41.9360 176.9748 29 L 4.3408 7.9429 120.3493 55.4610 42.1882 177.8158 30 H 4.2042 8.5163 118.7291 59.9484 29.6889 176.5229 31 D 4.4059 8.2080 119.4757 57.1800 40.7614 178.4904 32 A 3.9357 7.8544 120.9504 55.0236 18.3899 179.6143 33 I 3.3424 7.4555 118.2441 64.8401 36.9934 178.4830 34 H 3.9891 7.9770 116.9744 59.0350 28.5795 177.8789 35 M 4.1229 8.2875 120.3795 57.9755 31.5674 178.7030 36 A 3.8532 7.7630 120.4626 55.0256 18.5028 179.3228 37 A 3.8319 7.6890 119.3038 55.4869 18.1557 179.2066 38 D 4.4002 7.7153 115.2146 57.8336 41.3395 178.0862 39 N 4.4951 8.0969 115.2173 55.2590 38.6599 176.3832 40 A 4.4272 7.3512 120.5951 51.8991 20.1634 177.9673 41 V 3.6586 7.4895 111.7639 60.6387 32.1604 174.6392 42 P 4.3769 0.0000 0.0000 63.1735 31.8746 175.7334 43 H 4.5489 8.1408 114.9842 56.2875 30.7930 175.3573 44 Y 4.7258 7.1283 116.9499 57.1110 40.1248 175.7693 45 Y 3.9547 8.5966 118.9847 61.4923 38.0882 178.8519 46 A 4.3651 8.3081 121.0739 55.3550 18.5965 179.2248 47 D 4.3520 8.2893 117.0382 57.5814 41.0006 178.8683 48 I 3.6863 7.6919 120.0147 64.4980 37.2207 178.5307 49 F 4.4707 8.2076 118.7303 60.7364 38.4746 177.7397 50 S 4.2259 8.8523 113.0296 61.2027 62.4508 176.1217 51 V 3.8244 8.0076 121.1282 66.3715 31.1384 178.0376 52 M 4.1605 8.0650 116.8491 58.0631 31.8365 178.0684 53 A 4.2550 7.8771 119.5249 52.9232 18.9317 177.1998 54 S 4.6610 7.4374 112.1876 55.9153 65.2973 173.6143 55 E 3.9571 8.4054 118.8038 57.5720 29.5744 177.0310 56 G 3.9187 9.2806 109.2279 45.3122 0.0000 173.3671 57 I 4.1075 7.0490 118.8654 59.4202 40.8165 173.8531 58 D 4.7698 8.1621 127.0158 52.5161 42.7000 176.2766 59 L 4.0543 8.1603 121.4867 57.3601 42.4156 177.0096 60 E 4.3378 7.8656 117.6958 55.8452 30.2061 176.2819 61 F 4.6208 8.7655 121.4247 57.1189 40.1035 175.6493 62 E 4.0506 9.3171 125.9406 58.4371 29.8877 176.4057 63 D 4.9082 8.6671 119.8428 52.2665 42.8820 176.5411 64 S 4.1207 8.7367 123.4279 60.7722 63.1458 176.6927 65 G 3.6693 8.4307 109.0519 47.7139 0.0000 174.2411 66 L 4.4115 7.8941 118.2398 54.7078 42.0035 175.7156 67 M 3.8907 7.3671 120.2489 52.6652 32.7208 173.8463 68 P 4.2565 0.0000 0.0000 62.4825 32.2114 176.1657 69 D 4.5119 8.3883 121.5824 53.9348 39.9252 174.8135 70 T 4.6366 7.6798 118.2188 60.6174 70.2610 173.7454 71 K 4.1409 8.4718 124.4705 57.9230 32.7424 177.3524 72 D 4.5696 7.9043 119.2347 53.5029 39.7690 176.7639 73 V 3.6470 8.5774 124.8238 66.2406 31.4940 177.4422 74 I 3.6904 7.8300 117.4897 64.0385 37.8103 177.9273 75 R 3.9853 7.9240 118.8733 58.8970 29.8629 178.9660 76 I 3.8339 7.7444 119.2888 64.4495 37.2883 178.2314 77 L 4.0107 7.9720 119.8148 57.8639 41.3892 179.4023 78 Q 3.9447 8.2616 119.2596 59.1856 28.9667 178.1972 79 A 4.0989 8.3322 121.8400 55.0694 18.2945 179.6245 80 R 3.3448 8.0457 117.5503 59.1887 29.9632 178.8038 81 I 3.7670 7.7391 119.6335 64.5196 37.1587 177.5661 82 Y 4.0661 8.2687 120.4698 60.7780 38.5440 177.9131 83 E 3.9837 8.6096 120.1249 59.4784 29.7541 178.5336 84 Q 3.9564 8.3523 119.7806 59.0393 28.9764 178.1605 85 L 4.2253 8.3810 120.6386 58.1594 41.7191 179.6622 86 T 3.6961 7.7452 109.6482 64.6749 68.7359 176.6475 87 I 3.8725 8.0535 122.7680 64.4675 36.9922 178.2452 88 D 4.4983 8.3909 118.6162 57.2655 40.8900 178.5795 89 L 4.3079 8.4425 119.8819 57.6510 41.7294 179.4770 90 W 4.4107 8.4068 118.9321 59.9213 28.7486 178.3910 91 E 4.2178 8.2762 117.0997 58.6116 29.0913 177.9475 92 D 4.8528 8.0477 117.2511 53.9769 41.2402 177.9709 93 A 3.9673 7.8476 123.1596 55.4395 18.4269 179.8331 94 E 3.9770 8.2575 116.3574 59.6784 29.6231 179.1715 95 D 4.3979 8.1412 118.3276 57.4963 40.9548 178.8040 96 L 3.9914 8.2149 119.5796 57.7860 41.5912 179.6006 97 L 4.1011 8.1337 119.0044 57.7337 41.4251 179.3580 98 N 4.3248 8.4388 116.6589 56.3244 38.3025 176.9821 99 E 3.9049 8.0776 119.4541 59.3374 29.9681 178.0393 100 Y 4.2324 8.0186 119.4646 60.7480 38.7223 177.8398 101 L 3.6130 7.5242 118.3790 57.7138 42.0031 178.7618 102 E 4.2410 8.2810 116.2136 56.9380 29.2617 177.2855 103 E 4.2864 7.4994 118.6587 55.6619 29.9700 175.8882 104 V 4.5422 6.5955 109.0644 60.3618 35.8636 174.2527 105 E 4.5971 8.2411 120.8702 55.1720 32.4886 174.6474 106 E 4.1566 8.7074 125.0746 56.4246 29.7277 175.7579 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 4.44 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 2 T 7.92 4.58 4.30 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 1.28 0.00 0.00 3 Y 9.40 4.02 0.00 3.18 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 4 N 8.28 4.57 0.00 2.79 2.88 0.00 0.00 7.14 6.92 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 5 N 7.88 4.29 0.00 2.94 2.77 0.00 0.00 6.53 7.54 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 6 V 7.50 3.44 1.85 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 0.96 0.00 0.00 0.89 0.00 0.00 7 F 8.19 3.85 0.00 2.55 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 8 D 8.50 4.35 0.00 2.71 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 9 H 7.61 4.27 0.00 3.41 3.25 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.72 3.87 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 11 Y 7.52 3.66 0.00 2.20 2.61 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 0.00 0.00 0.00 0.00 12 E 7.79 3.83 0.00 2.30 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 2.26 2.47 0.00 13 M 7.86 4.47 0.00 2.04 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 2.61 2.29 0.00 14 L 7.70 3.78 0.00 1.63 1.53 0.68 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 15 K 7.42 3.61 0.00 1.75 1.61 0.00 1.38 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.15 1.09 7.81 16 E 7.73 3.31 0.00 2.02 1.64 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 2.26 2.28 0.00 17 N 8.17 4.26 0.00 2.65 2.78 0.00 0.00 7.14 6.91 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 18 I 7.74 3.40 1.73 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.47 0.48 0.00 0.00 19 R 7.13 3.32 0.00 1.59 1.55 0.00 3.09 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 20 Y 7.18 4.45 0.00 2.94 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 21 D 7.49 4.71 0.00 2.54 2.63 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 0.00 0.00 0.00 0.00 22 D 7.47 4.18 0.00 2.76 2.65 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 23 I 7.39 4.12 1.71 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.53 0.91 0.00 0.00 24 R 8.57 4.70 0.00 1.79 1.97 0.00 3.20 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 25 D 7.73 4.92 0.00 2.72 2.48 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 0.00 26 T 8.63 4.10 4.61 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 0.00 0.00 0.00 1.37 0.00 0.00 27 D 8.56 4.77 0.00 2.93 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 28 D 8.23 5.03 0.00 2.87 2.62 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 29 L 7.94 4.34 0.00 1.92 1.15 0.76 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 30 H 8.52 4.20 0.00 3.54 3.46 0.00 5.67 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.21 4.41 0.00 2.75 2.72 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 32 A 7.85 3.94 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 33 I 7.46 3.34 1.39 0.00 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.04 0.36 0.00 0.00 34 H 7.98 3.99 0.00 3.15 3.46 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 M 8.29 4.12 0.00 2.06 2.18 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 2.74 2.58 0.00 36 A 7.76 3.85 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 37 A 7.69 3.83 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 38 D 7.72 4.40 0.00 2.75 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 39 N 8.10 4.50 0.00 2.75 2.85 0.00 0.00 6.94 7.21 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 40 A 7.35 4.43 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 41 V 7.49 3.66 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 0.87 0.00 0.00 0.90 0.00 0.00 42 P 0.00 4.38 0.00 2.11 1.99 0.00 3.68 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 43 H 8.14 4.55 0.00 2.58 3.16 0.00 5.69 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 7.13 4.73 0.00 3.04 2.81 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 45 Y 8.60 3.95 0.00 3.14 3.08 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 46 A 8.31 4.37 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.29 4.35 0.00 2.90 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 48 I 7.69 3.69 1.73 0.00 0.00 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 1.42 0.75 0.72 0.00 0.00 49 F 8.21 4.47 0.00 3.27 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 S 8.85 4.23 0.00 3.96 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 51 V 8.01 3.82 2.35 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 1.15 0.00 0.00 1.03 0.00 0.00 52 M 8.07 4.16 0.00 2.11 2.25 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 2.70 2.95 0.00 53 A 7.88 4.25 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 54 S 7.44 4.66 0.00 4.07 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 55 E 8.41 3.96 0.00 2.10 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 0.00 2.33 2.28 0.00 56 G 9.28 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 57 I 7.05 4.11 0.90 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 1.19 0.49 0.78 0.00 0.00 58 D 8.16 4.77 0.00 2.61 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 59 L 8.16 4.05 0.00 1.58 1.69 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 60 E 7.87 4.34 0.00 1.98 1.91 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 2.33 2.42 0.00 61 F 8.77 4.62 0.00 2.92 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 62 E 9.32 4.05 0.00 1.96 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 2.35 2.33 0.00 63 D 8.67 4.91 0.00 2.72 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 64 S 8.74 4.12 0.00 3.90 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 65 G 8.43 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 0.00 0.00 0.00 66 L 7.89 4.41 0.00 1.86 1.92 1.08 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 67 M 7.37 3.89 0.00 1.60 0.57 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 2.06 0.00 68 P 0.00 4.26 0.00 2.19 2.00 0.00 3.73 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 69 D 8.39 4.51 0.00 2.62 2.63 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 0.00 0.00 0.00 0.00 70 T 7.68 4.64 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 1.21 0.00 0.00 71 K 8.47 4.14 0.00 1.80 1.86 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.46 7.81 72 D 7.90 4.57 0.00 2.84 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 73 V 8.58 3.65 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 1.17 0.00 0.00 1.00 0.00 0.00 74 I 7.83 3.69 1.94 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.89 0.89 0.00 0.00 75 R 7.92 3.99 0.00 2.00 1.96 0.00 3.31 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 76 I 7.74 3.83 2.15 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 1.68 0.71 1.10 0.00 0.00 77 L 7.97 4.01 0.00 1.80 1.71 1.05 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 8.26 3.94 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 79 A 8.33 4.10 1.61 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 0.00 0.00 0.00 0.00 0.00 0.00 80 R 8.05 3.34 0.00 1.51 1.96 0.00 2.21 0.00 0.00 2.96 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.43 0.00 81 I 7.74 3.77 2.08 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 1.51 0.75 1.03 0.00 0.00 82 Y 8.27 4.07 0.00 3.16 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 83 E 8.61 3.98 0.00 2.40 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 2.40 2.49 0.00 84 Q 8.35 3.96 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.57 0.00 0.00 0.00 0.00 0.00 1.87 2.51 0.00 85 L 8.38 4.23 0.00 1.78 1.65 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 86 T 7.75 3.70 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 0.53 0.00 0.00 87 I 8.05 3.87 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 1.60 1.16 0.96 0.00 0.00 88 D 8.39 4.50 0.00 2.90 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 89 L 8.44 4.31 0.00 1.54 1.54 0.75 0.80 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 90 W 8.41 4.41 0.00 3.64 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 91 E 8.28 4.22 0.00 2.20 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 0.00 2.41 2.60 0.00 92 D 8.05 4.85 0.00 3.02 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 93 A 7.85 3.97 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 94 E 8.26 3.98 0.00 2.05 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 2.49 2.43 0.00 95 D 8.14 4.40 0.00 2.94 2.78 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 96 L 8.21 3.99 0.00 1.61 1.59 0.60 0.61 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 97 L 8.13 4.10 0.00 1.88 1.77 0.97 0.58 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 98 N 8.44 4.32 0.00 2.89 3.00 0.00 0.00 6.62 7.29 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 99 E 8.08 3.90 0.00 2.08 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 2.33 2.33 0.00 100 Y 8.02 4.23 0.00 3.05 3.08 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 0.00 101 L 7.52 3.61 0.00 1.75 1.63 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 102 E 8.28 4.24 0.00 2.03 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 0.00 2.29 2.36 0.00 103 E 7.50 4.29 0.00 2.06 1.85 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 2.28 2.33 0.00 104 V 6.60 4.54 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 0.66 0.00 0.00 0.84 0.00 0.00 105 E 8.24 4.60 0.00 1.85 1.74 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 2.18 2.27 0.00 106 E 8.71 4.16 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 2.24 2.28 0.00