NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4166 8.3044 120.3491 55.8972 32.4619 174.3243 2 T 4.3841 7.4595 110.6300 59.5557 69.1265 171.5553 3 T 4.1215 8.1009 111.6077 62.2185 70.9208 171.8712 4 E 4.1855 9.1719 128.9323 58.6095 30.1292 176.5779 5 I 4.4197 7.5052 117.5804 59.3839 39.2025 176.0405 6 K 4.4247 8.3588 124.9746 55.3065 34.0325 174.6001 7 K 4.5833 8.0653 117.7030 55.5925 36.0849 175.1575 8 L 4.7643 7.9566 118.6077 53.1031 43.9166 177.2467 9 D 4.4678 8.3022 122.1481 53.3669 42.7550 175.4566 10 P 4.0369 0.0000 0.0000 66.2171 31.4399 178.6656 11 D 4.3623 7.8946 115.6941 57.2465 41.2850 178.3863 12 T 3.9047 7.6491 116.0039 66.4787 68.2822 176.5711 13 A 4.1481 8.7849 123.7435 54.9086 18.2116 179.7332 14 I 3.9208 7.6552 118.5146 64.6047 37.4180 177.8421 15 D 4.3619 8.2236 119.8519 57.7508 40.4947 179.6202 16 I 3.7109 7.5087 111.4973 63.9155 37.9031 177.8855 17 A 4.0546 7.6687 122.3667 54.8000 18.3492 178.6484 18 Y 3.8493 8.7725 118.8581 61.2138 38.6038 178.2102 19 D 4.4472 8.1255 118.0401 57.3192 41.2213 178.2223 20 I 3.9292 8.0237 120.8017 63.8042 37.1143 178.1577 21 F 4.8895 8.0651 121.4110 61.6688 39.1636 177.2546 22 L 3.5044 7.5819 115.8137 56.2968 41.4554 178.2446 23 E 4.2730 7.4794 118.6883 58.8252 30.1919 177.6179 24 M 4.3653 8.6511 117.2919 57.4219 32.4576 177.0112 25 A 3.2858 7.6050 120.4464 53.3616 18.9922 176.5872 26 G 3.7693 8.9637 104.6355 46.2902 0.0000 174.3628 27 E 4.6637 7.6964 117.1797 56.3854 36.2045 175.7708 28 N 4.6207 7.4124 113.9332 54.2531 41.2861 174.5092 29 L 3.8739 6.4955 118.1926 54.8520 42.7884 176.6992 30 D 4.4176 8.6381 124.8179 53.8940 42.4409 175.5433 31 P 4.1414 0.0000 0.0000 65.9116 31.3027 178.3262 32 A 3.9789 8.0409 118.5141 55.7349 18.2778 179.0860 33 D 4.2693 8.1828 116.1925 57.5407 40.6933 179.4935 34 I 3.7289 7.5144 120.0928 64.2623 37.1637 177.5753 35 L 4.1735 7.7558 122.4287 57.7869 41.7148 178.9839 36 L 4.0595 7.8202 118.3443 57.8465 41.4731 179.0694 37 F 4.7152 7.9022 119.4260 61.8507 39.4073 176.6697 38 N 4.6493 8.8254 116.8913 55.6462 37.3162 176.7504 39 L 4.3040 8.5346 120.2163 57.7131 41.2146 177.3842 40 Q 4.5931 8.5993 121.0295 56.2965 29.6949 175.6569 41 F 4.3691 9.3177 128.0358 60.3594 38.9158 176.3705 42 E 4.2489 8.7017 118.9571 59.0894 29.3257 177.2383 43 E 4.8872 8.1557 115.2162 56.1915 31.1391 176.0107 44 R 4.5119 8.7534 115.9565 55.1304 32.2697 174.5209 45 G 4.6177 7.2884 103.5807 43.1507 0.0000 176.0604 46 G 3.8527 8.1365 107.5580 45.9307 0.0000 175.7927 47 V 5.0286 9.1815 120.7273 60.7257 34.7603 172.5874 48 E 4.7695 8.9707 127.5695 54.3150 32.6781 174.2355 49 F 4.7424 9.0428 129.4320 57.8012 39.8304 174.8919 50 V 4.2889 8.2936 120.9320 59.6743 34.8543 174.8014 51 E 4.3193 8.1623 122.0415 54.8922 31.1589 175.4626 52 T 4.2305 8.1012 117.4869 63.2049 69.4805 175.9838 53 A 4.3835 8.4120 127.3423 52.4213 20.0042 176.9365 54 D 4.5505 8.6998 112.5555 55.7529 41.6697 176.7809 55 D 4.8753 7.7739 118.5269 53.8078 43.5814 175.2290 56 W 5.0498 7.4342 121.3623 56.1366 30.4121 173.9117 57 E 5.3381 8.1816 114.0906 56.8936 29.5770 176.5161 58 E 4.5814 8.7935 120.6314 57.6963 32.0303 177.3123 59 E 4.3876 8.4556 115.8823 58.4981 30.7265 177.6341 60 I 3.7675 7.9038 112.5499 62.7532 38.4735 176.8024 61 G 4.1105 8.3226 108.1844 44.2214 0.0000 173.7514 62 V 4.2006 6.9449 116.8370 60.5239 33.4176 171.4652 63 L 4.0333 8.5159 122.9252 55.3843 42.1880 176.3219 64 I 3.7599 7.4288 123.4958 59.3740 39.3879 174.8046 65 D 4.7300 6.7750 126.8884 51.5465 42.5929 174.6147 66 P 4.5150 0.0000 0.0000 63.3543 31.9495 176.1959 67 E 3.9693 8.9904 115.0806 57.2601 28.3136 174.6358 68 E 4.8799 8.3209 115.3528 56.0857 31.8130 174.4802 69 Y 5.1119 7.8766 115.4199 55.9871 41.6247 174.7712 70 A 4.7131 8.5259 124.8450 50.8057 21.2885 175.8134 71 E 5.0257 7.8878 121.2896 54.5510 32.0660 175.2410 72 V 4.7060 8.9785 125.3795 60.8273 34.6195 174.2192 73 W 5.5100 9.1645 127.6202 55.3124 32.0274 175.6820 74 V 4.2962 8.9561 122.8732 60.7956 33.6943 174.3053 75 G 3.9404 8.3353 121.9099 45.5000 0.0000 174.4122 76 L 4.7667 8.9657 124.5263 52.8114 46.2050 174.6161 77 V 4.4913 8.3030 114.9144 59.8377 34.6575 173.7637 78 N 5.1350 7.6032 118.0190 51.8030 40.7263 175.5017 79 E 3.8380 8.7205 115.9947 59.5630 29.2805 177.0684 80 Q 4.1194 6.8913 118.6220 55.3256 29.1848 175.8134 81 D 4.9307 7.7711 129.7241 53.3334 40.4696 177.9178 82 E 3.9599 7.4618 120.3520 56.9792 29.9124 176.4592 83 M 4.6508 8.3340 124.2754 54.6270 30.6763 175.2905 84 D 4.6218 8.0728 119.8605 55.2143 41.9876 176.6580 85 D 4.7269 7.4299 119.1326 51.9517 41.4907 173.4937 86 V 3.8578 7.3905 120.4983 60.6131 32.2303 176.4951 87 F 4.8015 8.4008 123.4437 59.6649 40.4923 175.5745 88 A 5.0920 7.5000 117.0422 51.7026 22.3580 175.3257 89 K 5.2915 8.1353 119.1300 54.6976 35.5936 175.1965 90 F 5.2943 10.2494 123.1760 55.7719 42.3535 174.4579 91 L 5.9552 8.9526 121.5899 52.3377 46.1600 175.9516 92 I 4.4386 7.6744 111.7504 60.2587 40.3765 173.4234 93 S 3.4498 8.1527 123.3765 57.2311 62.2695 172.9826 94 H 4.1112 7.5524 125.4821 57.3332 29.0348 175.0055 95 R 4.5611 7.9331 122.5352 56.0840 33.7711 172.9300 96 E 4.4907 8.7330 113.5352 58.7932 31.5916 176.0316 97 E 4.1919 8.1889 117.4389 55.6601 29.9482 175.8834 98 D 4.3587 7.4985 116.0907 53.4349 39.8116 174.5025 99 R 4.5680 8.5129 121.2541 54.3392 32.2032 174.5872 100 E 4.7058 8.8263 123.9701 54.4711 31.5244 174.7135 101 F 6.0713 8.8733 119.8455 54.5379 40.6369 174.0782 102 H 4.9824 8.6025 115.8489 54.7651 32.3770 171.9446 103 V 5.1444 8.2082 116.6546 60.4553 33.9539 173.6120 104 I 4.3715 7.7884 116.0259 58.9795 40.1788 174.2044 105 W 5.3138 8.4074 123.6742 54.5457 31.7579 175.7934 106 K 4.3443 8.5805 122.7133 56.5932 32.6267 177.4070 107 K 4.2027 8.2866 119.7826 57.2486 32.7632 176.1336 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 8.30 4.42 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 T 7.46 4.38 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 3 T 8.10 4.12 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 4 E 9.17 4.19 0.00 2.01 1.99 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 2.30 2.28 0.00 5 I 7.51 4.42 1.90 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 1.44 0.60 0.95 0.00 0.00 6 K 8.36 4.42 0.00 1.75 1.78 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.40 7.81 7 K 8.07 4.58 0.00 1.62 1.60 0.00 1.63 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.26 1.41 7.81 8 L 7.96 4.76 0.00 1.72 1.57 1.02 1.02 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 9 D 8.30 4.47 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 10 P 0.00 4.04 0.00 2.04 1.95 0.00 3.50 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 11 D 7.89 4.36 0.00 2.74 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 12 T 7.65 3.90 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 1.20 0.00 0.00 13 A 8.78 4.15 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 14 I 7.66 3.92 1.92 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 1.72 1.12 1.06 0.00 0.00 15 D 8.22 4.36 0.00 2.89 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 16 I 7.51 3.71 1.83 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.65 0.94 0.00 0.00 17 A 7.67 4.05 1.27 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 0.00 0.00 18 Y 8.77 3.85 0.00 3.16 3.09 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 19 D 8.13 4.45 0.00 3.03 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 20 I 8.02 3.93 2.31 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.65 1.41 0.00 0.00 21 F 8.07 4.89 0.00 3.01 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 22 L 7.58 3.50 0.00 1.46 1.48 -0.25 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 23 E 7.48 4.27 0.00 1.92 2.26 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 2.36 2.52 0.00 24 M 8.65 4.37 0.00 2.57 2.82 0.00 0.00 0.00 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.01 2.82 0.00 25 A 7.61 3.29 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 26 G 8.96 3.77 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 0.00 0.00 0.00 27 E 7.70 4.66 0.00 1.98 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 2.14 2.21 0.00 28 N 7.41 4.62 0.00 2.48 2.45 0.00 0.00 7.17 7.89 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 29 L 6.50 3.87 0.00 0.27 1.05 1.30 1.08 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 30 D 8.64 4.42 0.00 2.82 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.14 0.00 2.13 2.09 0.00 3.59 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 2.09 2.13 0.00 32 A 8.04 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 33 D 8.18 4.27 0.00 2.73 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 0.00 0.00 0.00 34 I 7.51 3.73 2.05 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.88 0.88 0.00 0.00 35 L 7.76 4.17 0.00 1.77 1.92 0.94 0.42 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 36 L 7.82 4.06 0.00 1.90 1.93 1.07 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 37 F 7.90 4.72 0.00 3.22 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 38 N 8.83 4.65 0.00 3.03 3.05 0.00 0.00 6.83 6.21 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 39 L 8.53 4.30 0.00 1.81 2.04 0.98 0.87 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 40 Q 8.60 4.59 0.00 2.28 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 5.94 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 41 F 9.32 4.37 0.00 3.87 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 42 E 8.70 4.25 0.00 2.11 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 0.00 2.39 2.46 0.00 43 E 8.16 4.89 0.00 2.00 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 2.25 2.29 0.00 44 R 8.75 4.51 0.00 1.97 1.87 0.00 3.23 0.00 0.00 3.48 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 45 G 7.29 4.62 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 46 G 8.14 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 0.00 0.00 0.00 47 V 9.18 5.03 2.41 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 0.96 0.00 0.00 1.28 0.00 0.00 48 E 8.97 4.77 0.00 2.20 1.81 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 2.20 2.29 0.00 49 F 9.04 4.74 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 50 V 8.29 4.29 1.67 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 0.31 0.00 0.00 0.25 0.00 0.00 51 E 8.16 4.32 0.00 1.90 1.81 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 2.26 2.39 0.00 52 T 8.10 4.23 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 1.37 0.00 0.00 53 A 8.41 4.38 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.70 4.55 0.00 2.67 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 55 D 7.77 4.88 0.00 2.69 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 56 W 7.43 5.05 0.00 3.62 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 57 E 8.18 5.34 0.00 1.94 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 2.03 2.23 0.00 58 E 8.79 4.58 0.00 2.03 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 0.00 2.25 2.25 0.00 59 E 8.46 4.39 0.00 2.21 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 0.00 2.61 2.84 0.00 60 I 7.90 3.77 1.82 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.37 0.97 0.00 0.00 61 G 8.32 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 62 V 6.94 4.20 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 0.55 0.00 0.00 0.85 0.00 0.00 63 L 8.52 4.03 0.00 1.45 1.53 0.88 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 64 I 7.43 3.76 1.54 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 -0.36 0.77 0.00 0.00 65 D 6.78 4.73 0.00 2.11 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 66 P 0.00 4.52 0.00 2.24 2.39 0.00 3.79 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 2.07 1.96 0.00 67 E 8.99 3.97 0.00 2.28 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 0.00 2.22 2.36 0.00 68 E 8.32 4.88 0.00 2.37 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 2.30 2.57 0.00 69 Y 7.88 5.11 0.00 2.97 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 70 A 8.53 4.71 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 71 E 7.89 5.03 0.00 1.81 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 2.41 2.46 0.00 72 V 8.98 4.71 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 0.97 0.00 0.00 1.12 0.00 0.00 73 W 9.16 5.51 0.00 3.29 3.02 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 0.00 0.00 0.00 74 V 8.96 4.30 2.17 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 0.89 0.00 0.00 0.59 0.00 0.00 75 G 8.34 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 0.00 0.00 0.00 76 L 8.97 4.77 0.00 1.13 1.33 0.92 0.66 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 77 V 8.30 4.49 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 0.76 0.00 0.00 0.92 0.00 0.00 78 N 7.60 5.13 0.00 2.71 2.73 0.00 0.00 7.22 7.65 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 79 E 8.72 3.84 0.00 2.07 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 2.27 2.24 0.00 80 Q 6.89 4.12 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.04 0.00 0.00 0.00 0.00 0.00 2.34 2.28 0.00 81 D 7.77 4.93 0.00 2.79 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 82 E 7.46 3.96 0.00 2.20 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 2.32 2.25 0.00 83 M 8.33 4.65 0.00 2.22 2.07 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.66 0.00 84 D 8.07 4.62 0.00 2.66 2.68 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 85 D 7.43 4.73 0.00 2.61 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 0.00 0.00 0.00 86 V 7.39 3.86 0.92 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 -0.10 0.00 0.00 -0.11 0.00 0.00 87 F 8.40 4.80 0.00 2.89 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 88 A 7.50 5.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 K 8.14 5.29 0.00 1.88 2.15 0.00 1.44 0.00 0.00 1.87 0.00 0.00 2.50 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.86 1.10 7.81 90 F 10.25 5.29 0.00 3.01 3.03 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 91 L 8.95 5.96 0.00 1.15 1.43 0.56 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 92 I 7.67 4.44 1.84 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.46 1.03 0.00 0.00 93 S 8.15 3.45 0.00 3.32 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 94 H 7.55 4.11 0.00 2.93 3.30 0.00 5.75 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 95 R 7.93 4.56 0.00 1.95 1.91 0.00 3.18 0.00 0.00 3.39 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.60 0.00 96 E 8.73 4.49 0.00 2.01 1.99 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 2.17 2.28 0.00 97 E 8.19 4.19 0.00 1.96 2.00 0.00 0.00 0.00 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 2.30 0.00 98 D 7.50 4.36 0.00 2.79 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 99 R 8.51 4.57 0.00 1.82 1.94 0.00 3.19 0.00 0.00 3.30 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 100 E 8.83 4.71 0.00 1.85 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 2.29 2.20 0.00 101 F 8.87 6.07 0.00 3.14 3.03 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 0.00 102 H 8.60 4.98 0.00 3.08 3.22 0.00 5.48 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 V 8.21 5.14 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 0.37 0.00 0.00 -1.17 0.00 0.00 104 I 7.79 4.37 1.83 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.97 0.99 0.00 0.00 105 W 8.41 5.31 0.00 3.18 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 0.00 106 K 8.58 4.34 0.00 1.82 1.92 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.24 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.59 7.81 107 K 8.29 4.20 0.00 1.82 1.75 0.00 1.65 0.00 0.00 1.91 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.36 7.81