NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.1148 8.0249 120.7848 61.1531 39.7331 178.1890 3 Y 4.5914 8.4694 122.4171 55.4777 37.3114 171.2288 *5 P 4.0075 0.0000 0.0000 63.5708 34.4497 175.4277 6 I 4.3858 8.0948 120.7639 60.4910 38.6010 175.3920 7 V 4.8831 8.6829 127.5537 61.3942 33.7396 174.7906 8 V 4.9740 8.8077 126.5385 59.8886 34.1593 174.0943 9 A 5.0111 8.6421 127.7443 50.6440 19.8050 176.4008 10 V 4.2545 8.3564 122.7437 61.5714 33.7751 174.3994 11 D 4.6915 9.1015 126.6143 55.3226 42.0621 176.4037 12 K 4.6308 7.3730 115.8998 53.9658 36.4312 175.9231 13 K 3.3437 8.1227 119.8529 56.1588 32.2563 177.4609 14 S 4.5350 8.0615 117.5414 56.3013 66.7696 175.4297 15 D 4.4443 8.5372 121.9415 56.6222 38.9455 178.5539 16 R 3.8895 8.0149 119.4264 59.1407 30.1796 178.1185 17 A 4.0911 8.0341 120.2142 55.1083 18.2895 179.0249 18 E 3.8702 8.6454 117.8299 59.7962 29.6708 179.4742 19 R 3.9766 8.1660 117.9430 59.0723 30.0229 179.0704 20 V 3.6200 8.1921 118.5154 66.0972 31.4532 178.2048 21 L 3.9832 8.1378 118.6122 57.9239 41.5348 179.6544 22 R 3.8929 8.3120 118.3975 59.1257 29.9458 179.0082 23 F 3.9551 8.5726 120.4252 61.1340 39.5419 176.9434 24 A 4.0771 8.4926 120.4700 55.3392 18.1348 179.5073 25 A 3.9081 8.2131 119.1896 55.2710 18.3790 179.5387 26 E 3.8694 8.0498 117.8196 59.3279 29.1780 178.8255 27 E 3.8072 8.1378 118.5095 59.0526 29.3561 179.2112 28 A 3.9496 7.6787 120.2815 54.9209 18.5137 179.3646 29 R 3.7955 8.1112 115.6539 59.8446 30.2944 178.5353 30 L 4.0176 7.8592 117.6421 57.7454 41.7792 179.1881 31 R 4.4232 7.4640 114.5537 54.9200 31.3736 176.1465 32 G 3.7641 8.4682 106.6046 46.8105 0.0000 173.5208 33 V 3.6878 7.1610 109.8750 57.9672 35.9147 173.8678 34 P 4.7317 0.0000 0.0000 62.5906 33.4056 174.8168 35 V 4.5774 8.9150 121.1997 61.8301 33.4067 174.1098 36 Y 5.2972 8.9405 126.7020 56.7211 39.6235 174.9401 37 V 4.4601 8.8401 126.3444 62.2367 33.0290 175.2293 38 V 5.4612 8.8979 121.2898 59.0542 35.0964 174.2656 39 H 5.0274 8.4637 122.1893 54.5366 33.3087 171.4679 40 S 5.1516 8.3145 119.4670 56.5281 64.7912 172.4115 41 L 4.8667 9.3093 127.6153 52.3356 44.9233 175.8997 42 P 4.3373 0.0000 0.0000 65.9118 31.4502 179.2432 43 G 4.2279 8.1643 106.6211 44.9985 0.0000 174.3116 44 G 4.0524 7.7543 113.0948 45.0089 0.0000 175.7207 45 G 3.7106 8.6243 110.3407 47.1362 0.0000 173.8585 46 R 4.1438 7.8253 118.7413 57.1852 30.5224 175.6197 47 T 4.5003 7.6857 114.2342 62.6519 70.1819 174.5696 48 K 4.6181 8.8870 125.7608 54.7172 36.4627 176.8548 49 D 4.3762 8.5692 118.9668 58.1695 40.6489 179.3630 50 E 3.9719 8.1193 118.6879 59.0737 29.7280 178.2053 51 D 4.3820 8.1560 118.7190 57.6291 40.9396 178.8589 52 I 3.7153 7.7769 119.8366 64.3669 37.1220 178.5145 53 I 3.6493 8.0054 121.0153 64.4544 36.9228 178.1530 54 E 3.8550 8.8698 120.2028 59.0437 29.3745 178.5316 55 A 3.7873 7.9955 120.8405 55.1752 18.4599 179.6077 56 K 3.8779 7.9958 118.0531 59.4412 32.1710 178.6206 57 E 3.9586 8.1697 119.7293 59.4977 29.4646 178.9280 58 T 3.9262 8.2629 116.1339 66.7829 68.5323 176.6614 59 L 4.0634 8.2365 121.0896 57.7649 41.6928 179.5776 60 S 4.3134 8.2973 114.5409 60.4779 62.4788 175.7890 61 W 4.2127 8.5483 131.0307 60.5839 30.4902 177.7899 62 A 3.3464 8.4999 120.6677 55.0510 17.8939 179.7136 63 V 3.5240 8.2076 117.4801 66.1324 31.4521 178.3365 64 S 4.1107 7.9767 113.8476 61.3326 62.7993 176.6465 65 I 3.4704 7.2901 123.0151 64.0940 36.8938 178.0656 66 I 3.6215 7.3954 120.5183 64.7620 36.9123 178.6790 67 R 4.2125 7.8684 119.7299 58.7324 29.6704 179.0939 68 K 3.8478 8.0355 117.5186 59.4919 32.1171 178.1866 69 E 4.2954 7.8060 115.6584 55.7029 29.7866 176.4823 70 G 3.7401 8.2953 107.1472 46.9082 0.0000 173.4798 71 A 4.8505 7.5705 119.1916 49.5634 22.7982 176.5045 72 E 4.3452 8.6243 119.0323 55.9248 31.1737 176.1015 73 G 4.5440 8.5514 109.5650 44.6848 0.0000 171.4504 74 E 5.0422 9.4372 122.6495 54.1360 33.6069 174.9849 75 E 4.8438 8.5194 120.1045 55.9154 32.5501 175.1901 76 H 4.7491 8.8648 118.5152 54.3534 32.0584 171.6746 77 L 4.6452 8.3917 125.5858 54.2714 43.2023 175.5472 78 L 4.5893 8.7989 126.5258 53.1996 43.8606 175.6489 79 V 4.8020 8.4135 124.3308 60.0230 32.4891 174.7618 80 R 4.5289 8.1202 122.1970 55.1082 32.2933 176.1768 81 G 3.8944 8.3010 104.9679 45.9227 0.0000 173.7512 82 K 4.6595 7.5269 117.9231 53.8439 35.3022 175.4596 83 E 4.3195 8.3017 119.5224 55.3290 31.4808 176.2409 84 P 4.2865 0.0000 0.0000 64.7524 31.4346 177.2421 85 P 4.2559 0.0000 0.0000 65.7518 31.2662 178.4279 86 D 4.3423 8.0292 117.2099 57.1856 40.7150 178.0491 87 D 4.3475 8.2937 118.6975 57.5087 41.2370 178.5228 88 I 3.7509 8.1286 120.6008 64.4534 37.2309 178.6393 89 V 3.6410 8.0250 119.2030 66.0631 31.3309 177.8707 90 D 4.3658 8.6789 119.1494 57.1642 40.7098 178.2928 91 F 4.4359 8.7963 122.4756 60.6894 39.3220 176.6967 92 A 4.0052 8.3242 120.2970 55.6801 18.2500 179.4379 93 D 4.2551 7.9658 116.5430 57.5160 40.7265 178.8808 94 E 3.9700 8.6056 119.5256 58.7946 29.1897 178.7667 95 V 4.0714 7.2209 109.3830 59.7299 32.6406 175.2764 96 D 4.2295 7.7573 116.4689 54.8824 39.8391 173.7608 97 A 4.2273 7.8892 120.7063 52.4015 19.3686 178.4969 98 I 3.9975 8.5861 122.4144 64.4104 37.8327 176.0453 99 A 4.5586 7.5290 120.5808 51.4656 22.6131 174.9602 100 I 4.8870 8.6184 120.3639 59.6096 40.0904 175.2481 101 V 4.8704 8.9034 126.4809 61.2166 34.2873 174.1520 102 I 4.8871 8.7588 126.7879 59.3353 41.8155 174.1367 103 G 4.1941 8.7693 115.1460 46.1412 0.0000 172.7110 104 I 4.7094 8.4004 124.2947 59.2652 38.5515 176.1255 105 R 3.8494 8.7219 127.1390 58.0407 30.2879 177.5733 106 K 4.3145 8.7747 124.0519 55.9782 32.3846 175.7193 107 R 5.0984 7.3658 114.8800 54.0691 33.7024 175.5638 108 S 4.4799 8.6687 116.9583 56.7994 64.0947 173.2275 109 P 4.3478 0.0000 0.0000 65.6152 31.0084 177.4540 110 T 4.3444 7.9813 105.5004 61.2137 68.7852 175.4761 111 G 3.9334 8.5144 109.9667 45.5292 0.0000 174.5078 112 K 4.2134 7.6875 119.3990 56.0991 33.5159 176.2863 113 L 4.8362 8.3382 123.7291 54.4054 42.2905 176.3861 114 I 4.5639 8.7108 117.5342 59.1283 41.0233 176.7542 115 F 4.0526 8.8738 122.9436 59.1096 39.3824 176.5308 116 G 4.3063 8.3843 108.3522 46.0239 0.0000 174.4810 117 S 4.1306 8.6915 118.7852 61.0690 63.1028 177.0768 118 V 3.5438 7.7270 121.4016 65.8748 31.4482 177.5698 119 A 3.9617 7.9957 120.0535 55.0998 18.1716 179.1215 120 R 3.1679 8.1530 117.3457 59.7829 30.1190 178.3343 121 D 4.4535 7.7053 117.3998 56.4092 40.8549 179.0178 122 V 3.5583 7.8583 119.3046 66.0377 31.2940 177.9568 123 I 3.6223 7.5399 118.3898 64.4266 36.9762 177.9666 124 L 4.1526 7.2446 117.0905 57.0011 41.7349 178.8305 125 K 4.1683 8.0062 116.8523 56.9359 32.7985 177.4863 126 A 4.1066 7.5835 121.9551 52.6955 18.7204 177.1251 127 N 4.5852 8.6292 117.5229 53.9944 39.4473 175.7134 128 K 4.4926 7.5635 116.7616 53.8099 34.2628 174.1208 129 P 4.4317 0.0000 0.0000 62.9408 32.5308 175.7283 130 V 4.7480 8.3272 122.8039 61.2913 33.6607 174.4892 131 I 4.3652 9.3152 130.1863 59.9891 39.0449 174.3752 132 C 5.1033 8.6186 125.0382 58.1236 29.9616 173.2617 133 I 4.3735 8.4951 124.9179 59.2133 39.9479 176.4184 134 K 4.3122 8.5045 124.2789 56.5964 32.2310 176.2380 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 2 I 8.02 4.11 1.88 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.36 0.98 0.00 0.00 3 Y 8.47 4.59 0.00 3.11 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 *5 P 0.00 4.01 0.00 1.29 1.09 0.00 3.59 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.10 0.00 6 I 8.09 4.39 1.81 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 1.02 0.94 0.93 0.00 0.00 7 V 8.68 4.88 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 1.18 0.00 0.00 1.13 0.00 0.00 8 V 8.81 4.97 2.13 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 0.87 0.00 0.00 1.01 0.00 0.00 9 A 8.64 5.01 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 10 V 8.36 4.25 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 1.00 0.00 0.00 1.02 0.00 0.00 11 D 9.10 4.69 0.00 2.69 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 12 K 7.37 4.63 0.00 1.68 1.57 0.00 1.77 0.00 0.00 1.65 0.00 0.00 3.31 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.27 1.41 7.81 13 K 8.12 3.34 0.00 1.22 0.80 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.49 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.30 0.78 7.81 14 S 8.06 4.53 0.00 4.00 3.89 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 15 D 8.54 4.44 0.00 2.94 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 16 R 8.01 3.89 0.00 1.93 2.00 0.00 3.40 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 17 A 8.03 4.09 1.65 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 18 E 8.65 3.87 0.00 2.29 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 0.00 2.27 2.65 0.00 19 R 8.17 3.98 0.00 2.08 2.01 0.00 3.22 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 20 V 8.19 3.62 2.30 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 1.15 0.00 0.00 1.01 0.00 0.00 21 L 8.14 3.98 0.00 1.74 1.56 0.59 0.75 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 22 R 8.31 3.89 0.00 1.83 1.98 0.00 3.34 0.00 0.00 3.03 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.83 0.00 23 F 8.57 3.96 0.00 3.15 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 24 A 8.49 4.08 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.21 3.91 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 26 E 8.05 3.87 0.00 1.94 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 1.99 2.18 0.00 27 E 8.14 3.81 0.00 2.17 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 2.10 2.61 0.00 28 A 7.68 3.95 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 29 R 8.11 3.80 0.00 1.90 1.98 0.00 3.16 0.00 0.00 3.39 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 30 L 7.86 4.02 0.00 1.69 1.71 0.81 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 31 R 7.46 4.42 0.00 1.74 1.91 0.00 3.26 0.00 0.00 3.18 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 32 G 8.47 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 33 V 7.16 3.69 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 0.28 0.00 0.00 0.72 0.00 0.00 34 P 0.00 4.73 0.00 2.27 2.22 0.00 3.25 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.01 0.00 35 V 8.91 4.58 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 1.12 0.00 0.00 0.91 0.00 0.00 36 Y 8.94 5.30 0.00 3.06 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 37 V 8.84 4.46 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 0.98 0.00 0.00 0.96 0.00 0.00 38 V 8.90 5.46 1.71 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 -0.20 0.00 0.00 0.85 0.00 0.00 39 H 8.46 5.03 0.00 3.22 3.08 0.00 5.83 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.31 5.15 0.00 3.89 3.58 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 41 L 9.31 4.87 0.00 1.55 1.51 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.34 0.00 2.21 2.30 0.00 3.83 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 2.07 1.92 0.00 43 G 8.16 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 0.00 0.00 0.00 0.00 44 G 7.75 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 0.00 0.00 0.00 45 G 8.62 3.71 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 0.00 0.00 0.00 46 R 7.83 4.14 0.00 1.78 1.95 0.00 3.22 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 47 T 7.69 4.50 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 1.22 0.00 0.00 48 K 8.89 4.62 0.00 1.93 1.95 0.00 1.40 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.51 7.81 49 D 8.57 4.38 0.00 2.77 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 50 E 8.12 3.97 0.00 2.02 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 2.36 2.38 0.00 51 D 8.16 4.38 0.00 2.94 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 52 I 7.78 3.72 2.07 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 1.66 1.02 0.91 0.00 0.00 53 I 8.01 3.65 1.99 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 1.65 1.07 0.89 0.00 0.00 54 E 8.87 3.85 0.00 2.08 1.89 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 2.22 2.26 0.00 55 A 8.00 3.79 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 56 K 8.00 3.88 0.00 2.01 1.81 0.00 1.53 0.00 0.00 1.57 0.00 0.00 3.16 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.49 7.81 57 E 8.17 3.96 0.00 2.13 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 2.26 2.34 0.00 58 T 8.26 3.93 4.39 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 1.37 0.00 0.00 59 L 8.24 4.06 0.00 1.70 1.74 0.92 1.18 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 60 S 8.30 4.31 0.00 3.94 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 61 W 8.55 4.21 0.00 3.46 3.54 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 62 A 8.50 3.35 1.43 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 0.00 0.00 0.00 63 V 8.21 3.52 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 1.08 0.00 0.00 0.99 0.00 0.00 64 S 7.98 4.11 0.00 4.07 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 65 I 7.29 3.47 1.58 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.56 0.69 0.00 0.00 66 I 7.40 3.62 2.01 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.84 0.89 0.00 0.00 67 R 7.87 4.21 0.00 1.96 1.95 0.00 3.14 0.00 0.00 3.25 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 68 K 8.04 3.85 0.00 1.87 1.85 0.00 1.61 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.60 7.81 69 E 7.81 4.30 0.00 2.12 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 2.40 2.41 0.00 70 G 8.30 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 71 A 7.57 4.85 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 72 E 8.62 4.35 0.00 1.96 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 2.39 2.31 0.00 73 G 8.55 4.54 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 0.00 0.00 0.00 74 E 9.44 5.04 0.00 1.79 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 0.00 2.18 2.28 0.00 75 E 8.52 4.84 0.00 2.01 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 2.28 2.28 0.00 76 H 8.86 4.75 0.00 2.93 2.95 0.00 5.61 0.00 0.00 0.00 0.00 6.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.39 4.65 0.00 1.63 1.55 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.80 4.59 0.00 1.65 1.60 0.74 0.63 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 79 V 8.41 4.80 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 1.20 0.00 0.00 0.94 0.00 0.00 80 R 8.12 4.53 0.00 1.80 1.88 0.00 3.39 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 81 G 8.30 3.89 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 0.00 82 K 7.53 4.66 0.00 1.80 1.70 0.00 1.91 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.59 7.81 83 E 8.30 4.32 0.00 1.97 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 2.39 2.34 0.00 84 P 0.00 4.29 0.00 2.13 2.06 0.00 3.87 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 85 P 0.00 4.26 0.00 2.14 2.15 0.00 3.53 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 86 D 8.03 4.34 0.00 2.86 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 87 D 8.29 4.35 0.00 2.97 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 88 I 8.13 3.75 1.89 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 1.38 0.49 0.95 0.00 0.00 89 V 8.02 3.64 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 1.04 0.00 0.00 0.96 0.00 0.00 90 D 8.68 4.37 0.00 2.79 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 91 F 8.80 4.44 0.00 3.26 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 92 A 8.32 4.01 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 93 D 7.97 4.26 0.00 2.85 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 94 E 8.61 3.97 0.00 1.92 1.88 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 2.30 2.37 0.00 95 V 7.22 4.07 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 0.14 0.00 0.00 0.72 0.00 0.00 96 D 7.76 4.23 0.00 2.75 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 97 A 7.89 4.23 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 98 I 8.59 4.00 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.51 0.90 0.00 0.00 99 A 7.53 4.56 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 0.00 100 I 8.62 4.89 1.89 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 1.17 1.03 0.95 0.00 0.00 101 V 8.90 4.87 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 1.09 0.00 0.00 1.03 0.00 0.00 102 I 8.76 4.89 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 1.18 1.22 0.92 0.00 0.00 103 G 8.77 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 0.00 0.00 0.00 104 I 8.40 4.71 1.88 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 1.26 1.03 0.93 0.00 0.00 105 R 8.72 3.85 0.00 1.72 2.00 0.00 3.23 0.00 0.00 3.18 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 106 K 8.77 4.31 0.00 1.97 1.94 0.00 1.54 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.23 1.33 7.81 107 R 7.37 5.10 0.00 1.76 1.74 0.00 3.24 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 108 S 8.67 4.48 0.00 4.00 3.99 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 0.00 109 P 0.00 4.35 0.00 2.05 2.19 0.00 3.65 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 2.04 2.11 0.00 110 T 7.98 4.34 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 0.00 111 G 8.51 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 0.00 0.00 0.00 112 K 7.69 4.21 0.00 1.72 1.72 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.56 7.81 113 L 8.34 4.84 0.00 1.44 1.48 0.86 0.76 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 0.00 114 I 8.71 4.56 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 1.27 0.73 0.94 0.00 0.00 115 F 8.87 4.05 0.00 3.10 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 0.00 116 G 8.38 4.31 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 0.00 117 S 8.69 4.13 0.00 4.07 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 0.00 118 V 7.73 3.54 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 1.03 0.00 0.00 0.93 0.00 0.00 119 A 8.00 3.96 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 R 8.15 3.17 0.00 1.94 2.07 0.00 3.13 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.37 0.00 121 D 7.71 4.45 0.00 2.69 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 0.00 122 V 7.86 3.56 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 1.12 0.00 0.00 0.95 0.00 0.00 123 I 7.54 3.62 1.76 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.68 0.82 0.00 0.00 124 L 7.24 4.15 0.00 1.58 1.66 0.82 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 125 K 8.01 4.17 0.00 1.81 1.85 0.00 1.79 0.00 0.00 1.85 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.45 7.81 126 A 7.58 4.11 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 0.00 127 N 8.63 4.59 0.00 2.94 2.87 0.00 0.00 6.93 7.61 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 0.00 128 K 7.56 4.49 0.00 1.74 1.74 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.38 7.81 129 P 0.00 4.43 0.00 2.08 1.98 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 130 V 8.33 4.75 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 0.81 0.00 0.00 0.98 0.00 0.00 131 I 9.32 4.37 1.88 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 1.26 0.60 0.69 0.00 0.00 132 C 8.62 5.10 0.00 2.82 2.87 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 0.00 133 I 8.50 4.37 1.81 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.86 0.86 0.00 0.00 134 K 8.50 4.31 0.00 1.70 1.68 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.37 7.81 * Residues marked with a * may have inaccurate shift predictions.