NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7262 8.3044 120.3632 55.4799 33.5637 174.3844 2 K 4.4903 8.7031 125.4966 54.6700 35.8936 173.4692 3 L 4.6661 9.5169 128.7588 54.8988 42.9397 174.8920 4 E 4.6992 9.4473 121.2924 57.5084 31.7041 175.6962 5 R 5.0879 7.8183 118.3789 54.6944 34.3389 173.0575 6 V 4.9092 8.8609 124.5354 61.3854 34.9216 174.1886 7 T 5.0649 9.0220 124.2462 61.8092 71.6710 173.1307 8 V 4.9688 8.7229 125.8626 61.0184 35.4981 174.3424 9 K 4.9568 9.4694 126.2738 55.1310 36.2199 176.2977 10 N 4.2393 8.5688 122.7688 54.7446 36.6566 174.9134 11 F 5.1350 8.6830 119.9701 57.0351 42.4741 175.6102 12 R 3.9329 7.9728 130.3874 57.5449 29.5898 179.4456 13 S 4.2826 8.9213 122.1426 60.6708 63.4205 173.2807 14 H 4.6775 8.6700 121.3924 55.2584 29.4842 175.4196 15 S 4.4034 8.7036 119.1953 60.0770 65.0497 173.5945 16 D 4.5526 7.7444 120.0184 53.7232 42.5968 174.3880 17 T 4.8379 9.0229 122.9906 61.6400 72.8831 173.6256 18 V 4.7857 8.2719 123.1928 61.3666 34.4331 174.4610 19 V 4.1956 8.8294 128.0679 60.8383 34.5689 173.7953 20 E 4.8031 8.4351 128.3018 54.4666 30.6614 175.0230 21 F 4.7313 8.7896 126.5779 57.2160 40.1276 176.1600 22 K 4.9277 8.9447 121.9553 55.1722 34.6773 175.5342 23 E 4.5175 8.7439 118.6762 56.7357 31.4847 177.3215 24 G 3.7421 8.4880 107.5016 44.5790 0.0000 172.3855 25 I 3.8793 8.1513 121.1704 60.9601 37.1106 175.3491 26 N 4.8222 8.6482 124.1308 51.4712 39.0156 174.0860 27 L 4.5128 8.2721 125.1834 53.7283 43.4550 176.5038 28 I 4.4966 7.9919 124.8220 59.2978 38.5259 174.3087 29 I 4.1623 8.2004 118.7166 59.9948 38.6712 175.9352 30 G 4.1640 8.0217 110.1905 45.6575 0.0000 172.5806 31 Q 4.4085 8.2322 119.7149 54.0229 30.2632 175.2107 32 N 4.4963 8.4142 116.6843 55.2193 38.7583 176.0727 33 G 3.9988 8.9698 110.4408 45.5317 0.0000 174.2989 34 S 4.2371 8.2252 115.5233 60.1840 63.7109 174.5352 35 G 3.4889 8.6308 109.9095 44.8718 0.0000 174.9519 36 K 3.8378 8.1244 120.8107 60.5804 31.9158 178.8501 37 S 4.3041 8.0587 114.3419 61.6542 62.9616 176.8950 38 S 4.3416 8.2166 117.6628 61.5973 62.6433 176.2845 39 L 3.8900 8.1270 122.9272 58.1844 41.8543 179.0525 40 L 3.8531 7.7135 118.3592 57.9316 41.4730 179.3073 41 D 4.5919 8.7768 119.0346 57.1152 40.6478 178.6819 42 A 2.7466 7.8121 121.4667 54.7070 17.8356 179.6125 43 I 3.4153 7.4762 118.3382 64.3380 37.1549 178.4728 44 L 4.1426 7.7638 121.0780 58.1147 42.0496 178.9944 45 V 3.9495 8.4783 119.0487 66.2162 31.2947 178.1122 46 G 3.6472 8.5308 103.4529 46.3341 0.0000 174.4814 47 L 4.0802 7.1207 120.3876 56.4190 42.8148 176.4548 48 Y 4.4338 7.5643 112.0142 56.7892 39.0172 175.7678 49 W 4.2556 8.2579 130.9920 56.8147 31.2547 173.8639 50 P 2.9700 0.0000 0.0000 62.0824 31.3425 176.1179 51 L 4.3259 6.9612 121.1307 53.7366 43.5925 176.1584 52 R 4.5358 7.9661 115.5466 56.4063 31.0497 176.2074 53 I 4.3352 7.6790 119.8838 59.3102 37.9295 176.1981 54 K 3.8283 8.9308 127.8216 59.8562 31.8963 176.9320 55 D 4.7895 8.0221 115.5578 54.3253 40.4953 176.8839 56 I 4.6081 7.8907 121.6224 60.1702 39.1392 173.9517 57 K 4.8239 8.3434 124.2992 53.8668 35.0417 176.9000 58 K 2.0000 9.1256 125.1463 59.3660 31.9732 177.8158 59 D 4.4062 7.7851 114.9109 54.6420 39.2315 176.2424 60 E 4.4111 7.8199 119.4030 56.8780 31.6110 176.6111 61 F 4.3242 7.1090 111.9954 57.4806 39.2809 175.7993 62 T 4.7153 7.4689 117.3637 62.5948 68.9203 174.1301 63 K 3.4057 8.7491 127.9496 57.2017 32.6949 176.7186 64 V 3.2774 8.8957 125.0384 67.2040 32.0153 176.9501 65 G 3.6244 7.9324 110.5319 47.0793 0.0000 172.8415 66 A 4.5816 7.6558 123.0985 51.1537 20.4838 176.8617 67 R 4.5631 8.4632 116.0757 56.2858 32.6580 175.7651 68 D 5.5142 7.9973 114.9168 51.7068 42.6213 175.5522 69 T 5.0303 9.0177 116.4522 62.0691 71.9004 172.3177 70 Y 5.0152 9.2783 127.5263 55.8421 42.0398 174.2883 71 I 4.7931 7.8829 126.2886 59.4796 41.4294 173.6071 72 D 4.9397 9.2737 127.2577 52.1901 44.1349 174.2085 73 L 5.1992 8.8611 125.7687 52.9381 45.4305 175.4674 74 I 4.9321 8.7273 124.7339 59.5365 39.8256 174.6426 75 F 5.5492 8.8389 121.6731 54.9869 42.1908 173.1243 76 E 5.2481 9.4418 120.2129 54.3897 32.3132 174.7081 77 K 4.5087 9.0658 127.9819 55.0482 34.9369 175.8717 78 D 4.3393 9.5636 129.6535 55.4873 37.9861 174.7372 79 G 4.2149 8.2482 110.8303 46.3248 0.0000 173.7764 80 T 3.9763 8.0499 116.9070 63.0359 69.2500 173.4486 81 K 4.8770 8.3911 125.2421 55.4615 33.9331 175.5550 82 Y 5.3033 8.9883 123.1870 55.9788 41.2038 174.9456 83 R 4.7807 7.9811 119.5769 55.2776 33.5865 173.3406 84 I 4.9367 8.8703 127.2476 59.7385 40.7227 174.5633 85 T 4.7361 8.6871 122.6819 61.6669 71.8591 173.1199 86 R 4.6483 8.4104 124.9050 54.0894 33.7819 174.7748 87 R 4.6861 8.3711 123.3438 54.7190 33.2097 173.6117 88 F 5.0739 9.3188 126.3337 56.2199 41.1284 175.0614 89 L 4.7719 9.5314 124.7273 53.2216 45.0789 176.8542 90 K 4.2801 7.5879 130.0922 53.2513 30.7386 174.3698 91 G 3.2883 7.1768 117.8685 45.5701 0.0000 171.3055 92 Y 4.9353 7.1926 115.3239 56.0631 42.2296 175.3335 93 S 4.4895 8.7253 117.4385 60.8845 63.7934 176.8053 94 S 4.1445 8.5477 115.8784 61.6483 62.5795 175.9764 95 G 3.8132 8.0678 106.9089 47.5190 0.0000 173.9087 96 E 4.2632 7.9582 119.8584 56.7042 30.2404 176.7864 97 I 4.4105 8.0219 124.4315 59.9707 40.6199 174.9445 98 H 4.8343 8.6053 122.9850 54.0963 30.8243 170.7150 99 A 4.9474 8.9499 122.7180 49.9473 22.9525 174.3260 100 M 4.9632 8.6389 121.4248 53.6687 35.2427 174.6724 101 K 5.1840 9.0596 124.4738 54.5570 37.1221 174.6467 102 R 4.7218 8.6751 121.1812 54.3475 32.8812 174.1244 103 L 3.7007 8.2374 129.0492 54.3702 42.8423 176.5041 104 V 4.0029 8.2631 127.0045 61.2508 33.3503 177.7450 105 G 3.6686 9.0659 120.8504 46.0805 0.0000 171.8948 106 N 4.7783 9.1297 113.2545 52.5098 40.7963 171.8451 107 E 4.5681 7.8422 117.4300 53.7522 32.9990 174.5107 108 W 4.7715 8.7568 126.8300 56.3988 30.3845 175.8079 109 K 4.6055 9.0375 123.2124 54.4593 35.4531 175.1473 110 H 4.3531 9.0549 121.1566 56.3853 28.4109 175.6295 111 V 3.7041 8.9090 124.0222 63.7359 32.0811 175.9801 112 T 3.8893 7.4638 115.4367 62.9227 71.9793 171.2170 113 E 3.7768 9.0104 122.7282 56.6119 29.4381 176.1781 114 P 4.9936 0.0000 0.0000 61.7396 29.5267 175.6849 115 S 4.6079 7.8640 119.5065 56.8975 66.9072 175.5804 116 S 4.1224 8.6192 119.9408 62.1234 62.5645 176.7450 117 K 3.8654 8.1016 121.2393 59.5561 31.9969 178.3580 118 A 4.0374 7.8928 120.5576 55.4614 18.4592 179.7645 119 I 3.7714 8.0460 118.3462 64.2423 36.9904 178.6817 120 S 4.0382 8.2280 113.9489 61.4430 62.1595 175.8793 121 A 4.0011 8.0147 123.4611 55.3787 17.9427 179.4363 122 F 4.0734 8.4324 118.9851 61.6454 39.5140 177.4776 123 M 4.1643 8.4471 118.5151 58.2848 31.4857 178.3400 124 E 4.2887 8.4159 118.9498 58.6591 29.8727 178.1921 125 K 4.2276 7.3547 115.2655 57.1760 32.6047 177.7637 126 L 4.4275 7.1000 119.7634 55.8853 42.5874 175.7608 127 I 4.0004 7.9465 114.0843 59.2537 40.2355 171.4804 128 P 4.5627 0.0000 0.0000 63.1904 31.8071 176.1956 129 Y 3.5585 9.2358 124.3142 61.0777 38.5882 178.3559 130 N 4.0329 8.2340 116.3435 56.5859 38.1597 177.3493 131 I 3.7393 7.6888 120.6461 64.0826 37.0736 178.3657 132 F 4.1489 7.9104 121.3074 61.2769 39.1279 177.1216 133 L 3.9247 7.7207 117.5624 56.4226 41.4083 177.3327 134 N 4.7754 7.7834 114.0618 52.9169 39.3321 174.3481 135 A 4.5877 7.6678 117.3207 51.7022 21.0379 176.9027 136 I 3.9981 7.7135 113.0463 62.5969 39.1274 175.4180 137 Y 4.3392 7.6431 125.6836 56.0000 38.1205 175.3666 138 I 3.9069 7.8705 129.5374 59.3235 37.0220 176.2748 139 R 3.7184 7.4374 124.6968 55.1467 30.6755 176.3243 140 Q 4.0852 8.2546 120.7209 57.7394 29.2833 176.8231 141 G 3.9448 8.9412 112.5801 45.8772 0.0000 173.5715 142 Q 4.5465 7.7178 117.7721 55.5932 29.2791 177.5998 143 I 3.6265 7.9336 121.5741 64.1529 37.3010 176.5959 144 D 4.6917 7.9189 117.0090 52.8777 39.8597 177.7667 145 A 4.5138 7.6031 124.7722 55.0355 18.4323 180.1735 146 I 3.6624 7.6374 114.4863 63.5521 38.1615 176.8083 147 L 4.0795 7.7609 119.5099 57.1075 41.9776 177.0109 148 E 3.9629 8.2059 118.5570 56.7821 27.9094 176.9978 149 S 4.0154 8.4406 117.1925 58.5849 63.4173 171.8450 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 4.73 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.56 0.00 2 K 8.70 4.49 0.00 1.90 1.69 0.00 1.74 0.00 0.00 1.91 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.55 7.81 3 L 9.52 4.67 0.00 1.57 1.80 0.77 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 4 E 9.45 4.70 0.00 2.26 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 2.35 2.37 0.00 5 R 7.82 5.09 0.00 1.84 1.72 0.00 3.12 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 6 V 8.86 4.91 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 0.96 0.00 0.00 1.19 0.00 0.00 7 T 9.02 5.06 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 1.43 0.00 0.00 8 V 8.72 4.97 2.03 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 1.05 0.00 0.00 0.77 0.00 0.00 9 K 9.47 4.96 0.00 1.87 1.74 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.64 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.53 1.55 7.81 10 N 8.57 4.24 0.00 3.22 2.92 0.00 0.00 6.02 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 11 F 8.68 5.13 0.00 3.00 2.96 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 0.00 0.00 0.00 12 R 7.97 3.93 0.00 1.98 0.98 0.00 3.20 0.00 0.00 3.29 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.83 0.00 13 S 8.92 4.28 0.00 3.94 3.97 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 14 H 8.67 4.68 0.00 3.53 3.36 0.00 5.60 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.70 4.40 0.00 3.92 4.13 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 16 D 7.74 4.55 0.00 2.69 2.60 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 0.00 0.00 0.00 0.00 17 T 9.02 4.84 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 1.22 0.00 0.00 18 V 8.27 4.79 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 0.74 0.00 0.00 0.94 0.00 0.00 19 V 8.83 4.20 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.80 0.00 0.00 20 E 8.44 4.80 0.00 1.91 1.77 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 2.18 2.29 0.00 21 F 8.79 4.73 0.00 3.17 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.94 4.93 0.00 1.77 1.79 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.15 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.55 7.81 23 E 8.74 4.52 0.00 1.98 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 24 G 8.49 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 0.00 0.00 0.00 25 I 8.15 3.88 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 1.42 0.59 0.92 0.00 0.00 26 N 8.65 4.82 0.00 2.74 2.96 0.00 0.00 7.06 7.85 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 27 L 8.27 4.51 0.00 1.60 1.58 0.95 1.04 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 28 I 7.99 4.50 1.96 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.94 0.98 0.00 0.00 29 I 8.20 4.16 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.57 0.93 0.00 0.00 30 G 8.02 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 0.00 0.00 0.00 31 Q 8.23 4.41 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 7.01 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 32 N 8.41 4.50 0.00 2.72 2.78 0.00 0.00 6.99 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 33 G 8.97 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.23 4.24 0.00 4.05 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 35 G 8.63 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 0.00 0.00 0.00 36 K 8.12 3.84 0.00 1.87 1.92 0.00 1.72 0.00 0.00 2.03 0.00 0.00 3.34 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.60 1.61 7.81 37 S 8.06 4.30 0.00 3.95 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 38 S 8.22 4.34 0.00 4.26 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 39 L 8.13 3.89 0.00 1.80 1.93 0.83 0.84 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 40 L 7.71 3.85 0.00 2.01 1.44 1.07 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.78 4.59 0.00 3.02 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 42 A 7.81 2.75 0.44 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 43 I 7.48 3.42 1.91 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 1.36 1.31 0.84 0.00 0.00 44 L 7.76 4.14 0.00 2.03 2.07 1.52 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.48 3.95 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 0.66 0.00 0.00 1.05 0.00 0.00 46 G 8.53 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 47 L 7.12 4.08 0.00 1.70 1.02 0.48 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 7.56 4.43 0.00 2.98 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 49 W 8.26 4.26 0.00 3.67 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 50 P 0.00 2.97 0.00 1.69 1.42 0.00 3.73 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 1.75 1.81 0.00 51 L 6.96 4.33 0.00 1.62 1.75 1.23 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 52 R 7.97 4.54 0.00 1.90 1.91 0.00 2.94 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 53 I 7.68 4.34 2.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.17 1.00 0.00 0.00 54 K 8.93 3.83 0.00 1.72 1.89 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.51 7.81 55 D 8.02 4.79 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 56 I 7.89 4.61 2.08 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.59 1.34 0.00 0.00 57 K 8.34 4.82 0.00 1.79 1.70 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.47 1.56 7.81 58 K 9.13 2.00 0.00 1.85 1.74 0.00 1.71 0.00 0.00 1.91 0.00 0.00 3.28 0.00 0.00 3.44 0.00 0.00 0.00 0.00 1.02 0.74 7.81 59 D 7.79 4.41 0.00 2.70 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 60 E 7.82 4.41 0.00 2.02 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 2.19 2.14 0.00 61 F 7.11 4.32 0.00 1.74 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 T 7.47 4.72 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 1.26 0.00 0.00 63 K 8.75 3.41 0.00 1.79 1.77 0.00 1.90 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.55 7.81 64 V 8.90 3.28 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 0.82 0.00 0.00 0.91 0.00 0.00 65 G 7.93 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 0.00 0.00 0.00 66 A 7.66 4.58 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 67 R 8.46 4.56 0.00 1.88 1.97 0.00 3.09 0.00 0.00 3.43 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 68 D 8.00 5.51 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 69 T 9.02 5.03 4.63 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 1.64 0.00 0.00 70 Y 9.28 5.02 0.00 3.00 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 71 I 7.88 4.79 1.61 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.45 0.69 0.00 0.00 72 D 9.27 4.94 0.00 2.28 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 0.00 0.00 0.00 0.00 73 L 8.86 5.20 0.00 1.59 1.60 0.82 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 74 I 8.73 4.93 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.86 1.07 0.00 0.00 75 F 8.84 5.55 0.00 3.28 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 76 E 9.44 5.25 0.00 2.37 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 2.29 2.30 0.00 77 K 9.07 4.51 0.00 1.97 1.78 0.00 2.00 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.40 1.55 7.81 78 D 9.56 4.34 0.00 3.01 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 79 G 8.25 4.21 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 0.00 80 T 8.05 3.98 4.59 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 0.45 0.00 0.00 81 K 8.39 4.88 0.00 1.63 1.88 0.00 1.63 0.00 0.00 1.98 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.61 1.46 7.81 82 Y 8.99 5.30 0.00 1.49 2.47 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 83 R 7.98 4.78 0.00 0.67 0.77 0.00 2.21 0.00 0.00 2.75 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.80 0.00 84 I 8.87 4.94 1.85 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 1.24 0.86 0.85 0.00 0.00 85 T 8.69 4.74 4.08 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 1.06 0.00 0.00 86 R 8.41 4.65 0.00 1.40 1.07 0.00 3.24 0.00 0.00 3.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.59 0.00 87 R 8.37 4.69 0.00 1.74 1.73 0.00 3.27 0.00 0.00 3.20 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 88 F 9.32 5.07 0.00 3.07 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 89 L 9.53 4.77 0.00 1.61 1.53 1.02 0.80 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 90 K 7.59 4.28 0.00 1.73 1.67 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.74 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.31 7.81 91 G 7.18 3.29 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 0.00 92 Y 7.19 4.94 0.00 2.90 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 93 S 8.73 4.49 0.00 3.94 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 94 S 8.55 4.14 0.00 3.86 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 95 G 8.07 3.81 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 0.00 0.00 0.00 96 E 7.96 4.26 0.00 2.05 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 2.47 2.56 0.00 97 I 8.02 4.41 1.77 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 1.21 0.89 0.86 0.00 0.00 98 H 8.61 4.83 0.00 2.99 3.14 0.00 5.56 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 99 A 8.95 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 0.00 100 M 8.64 4.96 0.00 1.93 1.84 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.36 0.00 101 K 9.06 5.18 0.00 1.71 1.95 0.00 1.57 0.00 0.00 1.62 0.00 0.00 2.60 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.28 1.21 7.81 102 R 8.68 4.72 0.00 1.64 1.61 0.00 2.99 0.00 0.00 3.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.09 0.00 103 L 8.24 3.70 0.00 0.33 1.11 -0.25 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 104 V 8.26 4.00 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 0.84 0.00 0.00 0.87 0.00 0.00 105 G 9.07 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 0.00 106 N 9.13 4.78 0.00 2.53 2.65 0.00 0.00 6.56 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 0.00 107 E 7.84 4.57 0.00 1.98 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 2.16 2.25 0.00 108 W 8.76 4.77 0.00 3.15 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 0.00 109 K 9.04 4.61 0.00 1.60 1.64 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.50 7.81 110 H 9.05 4.35 0.00 3.03 3.43 0.00 5.70 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 8.91 3.70 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 -0.71 0.00 0.00 0.68 0.00 0.00 112 T 7.46 3.89 4.18 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 1.24 0.00 0.00 113 E 9.01 3.78 0.00 1.92 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 2.30 2.32 0.00 114 P 0.00 4.99 0.00 2.21 2.05 0.00 3.39 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.79 0.00 115 S 7.86 4.61 0.00 4.02 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 0.00 116 S 8.62 4.12 0.00 3.90 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 0.00 117 K 8.10 3.87 0.00 1.87 1.79 0.00 1.62 0.00 0.00 1.82 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.59 7.81 118 A 7.89 4.04 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 0.00 119 I 8.05 3.77 1.94 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 1.39 0.89 0.91 0.00 0.00 120 S 8.23 4.04 0.00 4.11 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 0.00 121 A 8.01 4.00 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 0.00 122 F 8.43 4.07 0.00 3.26 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 0.00 123 M 8.45 4.16 0.00 1.82 2.25 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.70 0.00 124 E 8.42 4.29 0.00 2.15 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 0.00 2.37 2.44 0.00 125 K 7.35 4.23 0.00 1.68 1.69 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.59 7.81 126 L 7.10 4.43 0.00 1.48 1.76 0.85 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 127 I 7.95 4.00 1.92 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.80 0.94 0.00 0.00 128 P 0.00 4.56 0.00 2.30 2.24 0.00 3.85 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 2.12 2.00 0.00 129 Y 9.24 3.56 0.00 3.00 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 0.00 130 N 8.23 4.03 0.00 2.77 2.79 0.00 0.00 7.03 7.47 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 0.00 131 I 7.69 3.74 2.06 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 1.42 0.90 0.93 0.00 0.00 132 F 7.91 4.15 0.00 3.05 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 0.00 133 L 7.72 3.92 0.00 1.24 1.42 -0.01 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 134 N 7.78 4.78 0.00 2.52 2.66 0.00 0.00 6.92 8.04 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 0.00 135 A 7.67 4.59 1.22 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 0.00 0.00 0.00 136 I 7.71 4.00 1.43 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 1.25 0.83 0.73 0.00 0.00 137 Y 7.64 4.34 0.00 1.93 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 0.00 0.00 0.00 138 I 7.87 3.91 1.78 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.46 0.80 0.00 0.00 139 R 7.44 3.72 0.00 1.62 1.64 0.00 2.97 0.00 0.00 3.10 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.92 0.00 140 Q 8.25 4.09 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.73 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 141 G 8.94 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 0.00 142 Q 7.72 4.55 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.75 0.00 0.00 0.00 0.00 0.00 2.17 2.30 0.00 143 I 7.93 3.63 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.42 0.88 0.00 0.00 144 D 7.92 4.69 0.00 2.79 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 0.00 145 A 7.60 4.51 1.28 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 0.00 0.00 146 I 7.64 3.66 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.81 0.92 0.00 0.00 147 L 7.76 4.08 0.00 1.75 1.69 0.90 0.79 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 0.00 148 E 8.21 3.96 0.00 2.10 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.22 0.00 149 S 8.44 4.02 0.00 3.96 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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