NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 N 4.5833 8.2833 118.0592 53.0166 40.4080 172.6530 6 L 4.6923 8.1778 123.6021 52.5831 44.3215 174.1151 7 Y 4.8658 8.6605 120.9706 55.2011 41.7394 173.0707 8 P 4.7599 0.0000 0.0000 62.8697 32.6110 175.6410 9 V 4.5011 9.0426 123.1321 61.0871 33.8999 174.3949 10 K 5.1721 9.0468 126.7940 54.5102 36.2116 174.8820 11 L 5.0589 9.0896 125.7251 53.7311 43.9352 174.9156 12 Y 4.8449 8.8943 125.6883 57.7010 39.3958 174.8080 13 V 4.9725 8.7530 124.7719 61.2834 34.3603 173.7641 14 Y 5.2424 9.6947 125.3328 56.2970 41.7945 174.4253 15 D 4.8241 10.3199 125.0108 52.9874 41.1682 176.9087 16 L 3.9968 8.9451 128.4435 57.4207 41.9455 178.8754 17 S 4.3075 8.1908 111.3105 57.7763 63.7786 173.9113 18 K 3.8129 8.9405 120.1817 57.6526 29.8429 176.1441 19 G 3.9845 8.7261 106.9505 45.8010 0.0000 176.1228 20 L 4.0268 7.9676 120.1806 57.4740 41.4505 178.9533 21 A 3.8537 8.0371 120.9551 55.1669 18.0757 179.5012 22 R 4.3091 7.7569 116.6141 59.0182 30.1915 178.2867 23 R 4.0066 7.4141 115.6629 59.1062 30.4848 177.6923 24 L 4.4206 8.4025 117.5698 55.2209 42.2227 178.8185 25 S 3.9747 8.2571 115.6550 61.0134 62.8242 174.6050 26 P 4.2570 0.0000 0.0000 65.2085 31.3698 178.3181 27 I 3.7941 7.6497 116.4868 64.0003 38.3582 176.7990 28 M 4.1633 8.2631 119.4779 57.6483 31.7635 177.1668 29 L 4.4527 8.2733 115.5928 53.6172 43.6922 177.5534 30 G 3.9027 9.5207 108.4963 46.0123 0.0000 173.9429 31 K 4.4326 7.4929 117.6121 53.1554 35.2816 178.6682 32 Q 4.3651 8.5829 122.8920 54.9985 29.2423 174.9574 33 L 4.8749 8.6629 126.1112 53.1858 44.1142 177.4121 34 E 4.3466 8.6743 120.0139 57.6944 30.5382 176.2635 35 G 2.6763 7.1725 104.2783 44.4836 0.0000 173.1657 36 I 3.9789 7.7494 121.6996 59.2427 37.8261 174.5445 37 W 5.3105 8.3572 127.0044 56.3167 29.9332 175.2090 38 H 5.2756 9.6889 126.1520 54.7032 31.9846 173.4223 39 T 6.0351 8.7981 114.1294 59.2977 72.8693 172.4021 40 S 5.1064 8.6389 114.7523 57.5047 67.0838 172.4878 41 I 4.9125 9.0254 121.7170 59.7825 39.3605 174.8774 42 V 5.2230 8.8741 127.5106 60.4744 33.5180 174.7113 43 V 4.5151 8.6533 125.7301 61.2454 34.6666 173.2681 44 H 4.3485 9.4372 117.0091 57.1778 26.2588 175.5223 45 K 4.0147 8.5196 113.0508 57.1142 29.9124 175.3678 46 D 4.8180 7.9958 117.4506 52.5194 45.8344 173.9104 47 E 4.8896 8.9531 122.2046 54.7701 31.5822 174.4963 48 F 5.4779 9.5979 126.7117 55.9479 41.9355 174.8922 49 F 5.4497 8.5852 116.9953 56.2600 41.9708 172.2819 50 F 5.2501 9.4837 121.4287 56.1049 42.3979 173.6809 51 G 3.3713 5.5885 107.2370 45.1976 0.0000 173.1998 52 S 4.1597 7.1566 112.5993 60.2443 63.1591 175.7575 53 G 3.6778 7.6914 108.5742 45.9211 0.0000 174.1370 54 G 3.9028 7.8327 107.1101 43.8994 0.0000 171.9494 55 I 4.1835 8.0192 119.7154 61.3361 37.8007 175.9206 56 S 4.7235 8.4184 121.9688 56.5553 67.3478 173.0237 57 S 5.4757 8.1289 114.4689 55.8386 65.9969 172.6481 58 C 5.0283 8.4479 117.7939 56.9154 32.8942 171.3865 59 P 4.5763 0.0000 0.0000 62.1203 32.2000 174.6605 60 P 4.5046 0.0000 0.0000 64.4169 31.5492 177.1308 61 G 4.1512 10.0385 111.7865 45.9470 0.0000 173.8570 62 G 4.0278 8.3614 108.0501 45.3066 0.0000 174.2647 63 T 4.2586 7.5884 111.5753 60.0065 69.9664 175.1635 64 L 4.0147 8.1735 120.9569 58.5938 40.3293 178.5782 65 L 3.9525 7.3791 118.4206 55.6116 42.2377 178.6977 66 G 3.9311 7.7832 105.7610 44.3442 0.0000 171.1303 67 P 4.4649 0.0000 0.0000 61.5668 32.0645 174.6034 68 P 3.5694 0.0000 0.0000 62.3952 31.8762 176.1409 69 D 4.5476 8.0501 119.8191 57.1723 41.4776 176.8901 70 S 4.5113 7.6327 111.0578 56.6638 66.3136 173.0722 71 V 4.5907 8.2182 125.2431 61.2427 33.1604 174.5540 72 V 4.3527 8.8438 129.0026 61.0898 33.8038 174.0775 73 D 4.7399 8.6350 127.7212 54.3556 41.1433 175.7113 74 V 3.7759 8.9068 127.0173 63.9765 32.2896 176.4732 75 G 3.8912 6.7316 106.0127 45.9726 0.0000 170.7796 76 S 5.1350 8.1277 115.6851 56.8966 66.2793 173.2030 77 T 4.6191 8.6981 116.5857 60.3373 70.0397 174.7805 78 E 4.4305 8.5668 124.9711 57.3860 30.0714 177.3699 79 V 3.6609 7.3880 119.7509 62.7063 31.8277 176.4949 80 T 3.9297 8.3168 117.9964 60.7907 71.1165 174.9441 81 E 3.7156 8.0277 121.9765 59.4404 29.6233 178.7777 82 E 3.9913 8.0375 116.9865 59.5865 29.6104 179.1049 83 I 3.7931 7.5363 120.3277 63.9340 37.1716 178.0190 84 F 4.3897 8.5555 121.8204 61.5756 39.1546 177.2445 85 L 3.8413 8.1692 118.4800 57.5854 41.3786 179.2773 86 E 3.9312 8.0769 118.2612 59.3996 29.3137 178.7729 87 Y 3.9286 8.1041 119.6728 60.7324 38.8461 178.0602 88 L 3.4155 7.8238 120.2727 57.4920 41.3503 179.4502 89 S 3.9554 7.7335 112.3389 61.2632 62.3234 175.7881 90 S 4.1378 7.9125 115.7130 61.3867 62.0299 175.9886 91 L 4.0146 7.6240 121.7686 57.9083 41.1941 179.7221 92 G 3.7073 8.0003 103.1735 45.8690 0.0000 174.4753 93 E 4.5125 7.6489 118.9538 57.1460 30.0814 175.6429 94 S 4.5097 7.9036 110.4788 57.6392 65.7271 174.2758 95 L 4.3689 7.7218 123.5475 53.7687 42.6987 176.8043 96 F 4.6436 8.1530 118.8006 56.6833 40.0677 175.4037 97 R 4.2709 8.1176 118.9865 55.9831 31.0643 178.3785 98 G 4.0313 9.2147 109.8215 47.9700 0.0000 175.5353 99 E 3.9554 8.3049 116.6328 58.9822 29.5115 177.6763 100 A 4.2023 8.0429 120.3957 52.8995 18.8639 176.9020 101 Y 4.3686 7.8224 118.0201 57.6266 39.3882 175.0585 102 N 4.8679 8.4844 125.1999 51.4630 42.0824 174.5751 103 L 3.7543 8.7583 127.6011 57.8945 42.3880 177.7502 104 F 4.5569 8.1154 115.4250 58.7660 39.5653 176.1938 105 E 4.6750 8.1306 117.3584 57.0635 31.7240 176.1463 106 H 4.9417 8.4566 117.7431 54.7066 31.1781 171.2678 107 N 4.9286 7.7859 120.9252 50.3835 40.6381 175.5127 108 C 4.6897 9.1468 114.0621 63.5516 28.0407 175.7090 109 N 4.6322 8.6472 119.6760 55.5526 37.8068 177.3529 110 T 3.9434 8.4201 116.9115 66.7477 68.5514 175.8351 111 F 3.6752 8.4307 122.1215 61.4535 39.3623 177.2749 112 S 3.9329 8.3189 114.5961 61.4384 62.6244 176.1468 113 N 4.2449 8.5764 120.0650 57.0206 38.7883 176.8536 114 E 4.0612 8.1148 119.7584 59.0574 29.4048 179.6346 115 V 3.6052 7.7057 118.4095 65.8096 31.5086 177.6080 116 A 3.9365 8.1802 121.0180 55.5963 18.1656 179.6564 117 Q 3.9930 8.0544 116.1924 59.0010 28.5537 178.8743 118 F 4.0878 7.8965 120.3861 61.3960 39.5145 176.9328 119 L 3.9028 7.9553 117.6688 56.8933 41.5698 177.8489 120 T 4.3499 7.8097 105.1334 59.9108 69.9950 174.9472 121 G 3.8694 8.1824 109.9870 45.7574 0.0000 173.5232 122 R 4.5924 7.6098 118.5153 53.9611 32.0578 176.3244 123 K 4.4276 8.2612 120.5426 55.9404 33.9720 176.5151 124 I 4.1277 8.1514 113.7030 59.1482 39.0368 174.1496 125 P 4.3613 0.0000 0.0000 62.5673 31.8384 178.0687 126 S 4.7541 8.9999 118.7602 61.0747 62.5934 176.3420 127 Y 4.3038 7.9674 120.1969 59.6586 37.8704 178.0551 128 I 3.8907 6.7383 121.7965 64.5400 37.3647 178.4203 129 T 3.9913 7.7225 109.9605 64.5810 68.7695 175.2582 130 D 4.6873 8.8719 120.4802 54.7969 41.0726 177.8630 131 L 4.0497 7.7668 122.3954 58.0414 42.1406 176.9070 132 P 4.5500 0.0000 0.0000 65.8489 31.2806 178.6989 133 S 4.2268 8.1952 112.4938 61.4639 62.7555 176.1666 134 E 3.9994 8.0374 121.2542 59.2166 29.4975 179.2421 135 V 3.8586 8.0946 118.1624 66.1526 31.8080 178.1687 136 L 4.0680 8.2475 118.9383 57.3572 41.0870 179.1296 137 S 4.4105 7.8449 110.9194 58.2060 63.1339 173.7521 138 T 4.7725 7.2512 111.8011 59.0107 71.7088 172.8736 139 P 4.2207 0.0000 0.0000 66.0100 31.2741 178.4385 140 F 4.1538 8.4295 118.7324 61.4755 39.2542 177.0780 141 G 4.1127 8.3997 106.4672 47.5603 0.0000 175.5320 142 Q 3.9686 8.1845 119.2168 58.4262 28.7793 178.1860 143 A 4.1112 7.9911 121.2561 54.1634 18.5837 178.6364 144 L 4.3522 7.8007 117.8109 55.2565 41.8659 179.2740 145 R 3.9725 7.3853 121.4747 61.2264 29.3871 181.4789 146 P 4.5685 0.0000 0.0000 64.9812 31.8265 177.4463 147 L 3.8823 8.3919 119.2119 57.8947 41.9861 176.3749 148 L 4.1249 7.5285 122.8873 55.5332 43.5204 173.6617 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 5 N 8.28 4.58 0.00 2.57 2.38 0.00 0.00 6.85 5.85 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 6 L 8.18 4.69 0.00 1.42 1.44 0.86 0.47 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 7 Y 8.66 4.87 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 8 P 0.00 4.76 0.00 2.08 2.06 0.00 3.81 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 9 V 9.04 4.50 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 0.88 0.00 0.00 0.80 0.00 0.00 10 K 9.05 5.17 0.00 1.77 1.85 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.62 7.81 11 L 9.09 5.06 0.00 1.73 1.57 1.05 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 8.89 4.84 0.00 3.09 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 13 V 8.75 4.97 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 0.91 0.00 0.00 0.86 0.00 0.00 14 Y 9.69 5.24 0.00 3.04 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 15 D 10.32 4.82 0.00 2.62 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.95 4.00 0.00 1.67 1.70 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.19 4.31 0.00 3.91 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 18 K 8.94 3.81 0.00 1.87 1.89 0.00 1.76 0.00 0.00 1.91 0.00 0.00 3.03 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.38 1.51 7.81 19 G 8.73 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 0.00 0.00 0.00 20 L 7.97 4.03 0.00 1.72 1.68 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.04 3.85 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 22 R 7.76 4.31 0.00 1.95 2.14 0.00 3.08 0.00 0.00 4.01 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 23 R 7.41 4.01 0.00 1.87 2.02 0.00 3.29 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 24 L 8.40 4.42 0.00 1.70 1.61 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.26 3.97 0.00 4.02 4.10 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 26 P 0.00 4.26 0.00 2.18 2.14 0.00 3.63 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.19 0.00 27 I 7.65 3.79 1.85 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 1.41 0.61 0.95 0.00 0.00 28 M 8.26 4.16 0.00 1.51 1.81 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.42 0.00 29 L 8.27 4.45 0.00 1.59 1.62 0.82 0.50 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 30 G 9.52 3.90 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 0.00 0.00 0.00 31 K 7.49 4.43 0.00 1.75 1.53 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.72 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.27 0.98 7.81 32 Q 8.58 4.37 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 33 L 8.66 4.87 0.00 1.66 1.54 0.91 0.90 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 34 E 8.67 4.35 0.00 2.30 2.28 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 2.33 2.31 0.00 35 G 7.17 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 0.00 0.00 0.00 36 I 7.75 3.98 1.73 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 1.05 0.90 0.87 0.00 0.00 37 W 8.36 5.31 0.00 3.22 3.12 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 0.00 0.00 0.00 38 H 9.69 5.28 0.00 3.32 3.26 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 39 T 8.80 6.04 4.35 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 0.00 0.00 0.00 1.33 0.00 0.00 40 S 8.64 5.11 0.00 4.37 4.20 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 41 I 9.03 4.91 2.08 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 1.18 0.79 0.91 0.00 0.00 42 V 8.87 5.22 1.68 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 1.14 0.00 0.00 -0.18 0.00 0.00 43 V 8.65 4.52 1.86 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 0.05 0.00 0.00 0.54 0.00 0.00 44 H 9.44 4.35 0.00 3.37 3.53 0.00 5.82 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.52 4.01 0.00 1.96 1.97 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.44 7.81 46 D 8.00 4.82 0.00 2.39 1.78 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 47 E 8.95 4.89 0.00 1.86 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 2.45 2.32 0.00 48 F 9.60 5.48 0.00 3.31 3.27 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 49 F 8.59 5.45 0.00 3.29 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 50 F 9.48 5.25 0.00 2.23 3.11 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 51 G 5.59 3.37 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 0.00 52 S 7.16 4.16 0.00 3.89 3.87 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 53 G 7.69 3.68 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 0.00 0.00 0.00 54 G 7.83 3.90 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 0.00 0.00 0.00 55 I 8.02 4.18 1.76 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.54 0.81 0.00 0.00 56 S 8.42 4.72 0.00 2.72 3.27 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 57 S 8.13 5.48 0.00 3.07 3.31 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 58 C 8.45 5.03 0.00 2.93 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 59 P 0.00 4.58 0.00 2.10 2.00 0.00 3.63 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 60 P 0.00 4.50 0.00 2.16 1.95 0.00 3.77 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.92 0.00 61 G 10.04 4.15 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 0.00 62 G 8.36 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 0.00 0.00 0.00 63 T 7.59 4.26 3.91 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 0.96 0.00 0.00 64 L 8.17 4.01 0.00 1.71 1.79 0.72 0.51 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 65 L 7.38 3.95 0.00 1.31 1.58 0.12 0.67 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 66 G 7.78 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 67 P 0.00 4.46 0.00 2.05 1.99 0.00 3.74 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 68 P 0.00 3.57 0.00 1.69 1.07 0.00 3.56 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.54 0.00 69 D 8.05 4.55 0.00 2.85 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 70 S 7.63 4.51 0.00 3.79 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 8.22 4.59 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 0.93 0.00 0.00 0.35 0.00 0.00 72 V 8.84 4.35 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 0.86 0.00 0.00 0.89 0.00 0.00 73 D 8.64 4.74 0.00 2.71 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 8.91 3.78 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 0.75 0.00 0.00 0.95 0.00 0.00 75 G 6.73 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 76 S 8.13 5.14 0.00 3.78 3.69 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 77 T 8.70 4.62 4.15 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 1.12 0.00 0.00 78 E 8.57 4.43 0.00 1.95 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 2.27 2.20 0.00 79 V 7.39 3.66 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 0.91 0.00 0.00 0.65 0.00 0.00 80 T 8.32 3.93 4.17 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 1.31 0.00 0.00 81 E 8.03 3.72 0.00 1.77 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 0.00 2.38 2.47 0.00 82 E 8.04 3.99 0.00 2.24 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 0.00 2.36 2.41 0.00 83 I 7.54 3.79 1.95 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 1.44 0.91 1.04 0.00 0.00 84 F 8.56 4.39 0.00 3.09 3.18 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 0.00 85 L 8.17 3.84 0.00 1.73 1.66 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.08 3.93 0.00 2.28 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 2.44 0.00 87 Y 8.10 3.93 0.00 2.84 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 88 L 7.82 3.42 0.00 1.44 1.43 0.16 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 89 S 7.73 3.96 0.00 3.85 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 90 S 7.91 4.14 0.00 3.84 3.80 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 91 L 7.62 4.01 0.00 1.59 1.64 0.33 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 92 G 8.00 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 93 E 7.65 4.51 0.00 1.90 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 2.26 2.38 0.00 94 S 7.90 4.51 0.00 3.88 3.75 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 95 L 7.72 4.37 0.00 1.48 1.32 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 96 F 8.15 4.64 0.00 2.95 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 97 R 8.12 4.27 0.00 1.92 1.90 0.00 3.28 0.00 0.00 3.35 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.64 0.00 98 G 9.21 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 0.00 0.00 0.00 99 E 8.30 3.96 0.00 2.11 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 0.00 2.31 2.34 0.00 100 A 8.04 4.20 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 0.00 101 Y 7.82 4.37 0.00 2.59 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 0.00 102 N 8.48 4.87 0.00 2.75 2.64 0.00 0.00 6.44 6.65 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 0.00 103 L 8.76 3.75 0.00 1.62 1.46 0.89 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 104 F 8.12 4.56 0.00 3.10 3.11 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 0.00 105 E 8.13 4.68 0.00 1.98 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 2.33 2.25 0.00 106 H 8.46 4.94 0.00 3.16 3.26 0.00 5.77 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 N 7.79 4.93 0.00 2.98 2.98 0.00 0.00 6.12 7.68 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 0.00 108 C 9.15 4.69 0.00 3.33 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.65 4.63 0.00 2.98 2.93 0.00 0.00 6.94 6.97 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 0.00 110 T 8.42 3.94 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 1.30 0.00 0.00 111 F 8.43 3.68 0.00 2.82 3.33 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 0.00 112 S 8.32 3.93 0.00 4.12 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 0.00 113 N 8.58 4.24 0.00 2.94 2.99 0.00 0.00 7.26 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 0.00 114 E 8.11 4.06 0.00 2.04 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 0.00 2.41 2.38 0.00 115 V 7.71 3.61 1.70 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 1.20 0.00 0.00 0.03 0.00 0.00 116 A 8.18 3.94 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 0.00 117 Q 8.05 3.99 0.00 2.33 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 118 F 7.90 4.09 0.00 2.89 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 0.00 119 L 7.96 3.90 0.00 1.58 1.53 0.47 0.75 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 0.00 120 T 7.81 4.35 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 1.19 0.00 0.00 121 G 8.18 3.87 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 0.00 0.00 0.00 122 R 7.61 4.59 0.00 1.79 1.82 0.00 3.34 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 123 K 8.26 4.43 0.00 2.05 1.81 0.00 1.57 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.42 7.81 124 I 8.15 4.13 1.80 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 1.47 0.54 0.89 0.00 0.00 125 P 0.00 4.36 0.00 1.81 2.14 0.00 3.41 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 2.09 2.08 0.00 126 S 9.00 4.75 0.00 4.27 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 0.00 127 Y 7.97 4.30 0.00 3.18 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 0.00 128 I 6.74 3.89 1.67 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 -0.36 0.91 0.00 0.00 129 T 7.72 3.99 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 1.22 0.00 0.00 130 D 8.87 4.69 0.00 2.87 2.82 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 0.00 131 L 7.77 4.05 0.00 1.93 1.89 1.07 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 132 P 0.00 4.55 0.00 2.44 2.40 0.00 3.89 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.22 0.00 133 S 8.20 4.23 0.00 4.10 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 0.00 134 E 8.04 4.00 0.00 2.13 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 0.00 2.68 2.60 0.00 135 V 8.09 3.86 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 1.38 0.00 0.00 1.10 0.00 0.00 136 L 8.25 4.07 0.00 1.84 1.59 0.64 -0.26 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 0.00 137 S 7.84 4.41 0.00 4.07 4.06 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 0.00 138 T 7.25 4.77 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 1.35 0.00 0.00 139 P 0.00 4.22 0.00 2.24 2.20 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 2.16 2.19 0.00 140 F 8.43 4.15 0.00 3.29 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 0.00 141 G 8.40 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 0.00 142 Q 8.18 3.97 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.96 0.00 0.00 0.00 0.00 0.00 2.67 2.50 0.00 143 A 7.99 4.11 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 0.00 144 L 7.80 4.35 0.00 1.40 1.53 0.45 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 145 R 7.39 3.97 0.00 1.87 1.87 0.00 3.27 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 1.59 1.56 0.00 146 P 0.00 4.57 0.00 2.02 2.13 0.00 3.71 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 147 L 8.39 3.88 0.00 1.56 1.94 0.92 0.99 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 0.00 148 L 7.53 4.12 0.00 2.23 1.81 1.12 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00