NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.8410 0.0000 0.0000 62.5200 34.1773 173.6969 3 V 4.8387 8.4941 121.3461 60.3106 34.1992 174.5116 4 Q 4.4948 9.7418 127.1311 54.9466 31.3606 173.9471 5 H 4.4623 8.6780 123.7237 54.2659 29.3829 172.6032 6 V 4.0834 8.0415 114.2920 61.0133 34.1869 176.2627 7 G 3.6513 8.4522 115.0784 46.0836 0.0000 174.0818 8 G 3.9530 8.0609 105.0297 45.7800 0.0000 174.0918 9 T 4.5393 7.4136 116.4581 61.6700 70.6074 172.5885 10 Y 4.5310 8.6098 124.3560 57.1648 38.9799 175.0573 11 T 4.7563 8.8302 114.3214 59.6286 72.6836 172.7869 12 H 4.7179 8.8966 123.6594 56.4299 30.6533 174.0122 13 I 4.4643 8.4081 126.8357 58.1792 39.6622 173.5392 14 P 4.4580 0.0000 0.0000 62.1335 31.9363 175.8676 15 L 4.1226 8.2913 119.6067 54.2144 42.3619 178.1368 16 S 4.1946 8.7080 118.3518 58.5092 64.4199 173.7455 17 P 4.3036 0.0000 0.0000 66.1009 30.8372 179.1885 18 R 3.9615 7.8946 115.6348 59.2527 30.3487 178.5822 19 T 4.0477 7.7622 115.1753 66.7469 68.5340 176.4567 20 L 4.1206 7.8000 120.0753 58.1640 41.7578 179.4680 21 N 4.4018 8.5080 116.0433 56.1003 38.3338 177.4398 22 A 3.9981 8.0535 122.4656 54.7286 18.4804 179.0801 23 W 4.5267 8.3529 126.5061 60.9541 30.7236 177.8182 24 V 3.1910 7.7293 117.7363 66.1278 30.5513 178.1569 25 K 3.9428 8.0449 117.8696 59.1073 31.5862 179.0647 26 L 3.8346 7.6336 119.7931 58.1064 42.3097 178.7701 27 V 2.8420 7.1912 118.2765 65.8747 31.1482 177.4109 28 E 4.0920 7.9795 115.2627 57.2282 29.3166 178.4025 29 E 4.0816 7.4373 120.0193 58.5248 29.8444 177.8655 30 K 4.4527 7.4492 115.1009 55.6544 33.1225 176.7001 31 K 3.5167 8.9974 113.1552 58.5652 29.0102 174.3760 32 F 3.3018 7.5435 126.4036 58.0509 37.2065 175.3438 33 G 3.9261 7.3175 109.2106 44.2170 0.0000 173.5578 34 A 4.0314 8.7593 121.1067 55.3905 18.5267 179.8812 35 E 4.1644 8.2343 113.8706 59.7242 29.3775 179.4527 36 V 3.8535 7.6743 112.7887 64.3379 31.4086 178.6132 37 V 3.8229 7.4704 118.2314 65.4619 31.4876 176.0130 38 P 4.3917 0.0000 0.0000 65.6997 31.2075 178.7736 39 G 3.6979 8.7116 104.5611 48.0855 0.0000 174.8986 40 F 3.6633 9.2122 124.1918 61.0914 39.0277 177.0290 41 Q 3.7505 8.4309 117.1638 59.1452 28.7254 179.6341 42 A 4.0808 7.7015 120.8713 55.0176 18.4265 179.3655 43 L 3.8952 7.6347 115.4192 56.3044 42.3243 178.5841 44 S 4.1661 7.4562 113.4208 57.2654 63.2412 173.7125 45 E 3.8616 6.6966 122.2088 58.5143 29.5570 177.7105 46 G 3.9878 8.9456 111.5077 45.4972 0.0000 173.0133 47 C 4.4842 7.6465 117.8797 59.5793 29.0126 173.4501 48 T 4.5237 8.5271 113.2957 60.6471 70.9445 174.1788 49 P 4.5601 0.0000 0.0000 65.9817 31.2204 178.3657 50 Y 4.0351 8.3094 118.5094 60.7884 38.7366 177.8485 51 D 4.4342 8.2513 119.3150 57.4513 41.0540 178.6541 52 I 3.6645 7.9356 120.2971 64.7128 37.0617 178.2587 53 N 4.4546 8.8080 117.4463 56.2693 38.0471 177.5021 54 Q 3.8977 7.7323 118.9246 59.1858 28.8611 178.2901 55 M 4.2874 8.1274 119.6497 58.4192 31.8809 178.9462 56 L 4.2501 7.8660 118.7983 58.0340 41.7256 179.0921 57 N 4.4086 8.3454 115.3731 56.6476 38.4591 176.8611 58 C 4.4463 7.8123 117.4382 61.8462 28.5933 175.3399 59 V 4.5553 7.7243 112.7625 61.0566 32.1021 178.1992 60 G 3.7753 8.2961 109.8201 47.9501 0.0000 174.6538 61 D 4.7181 8.0648 117.9887 53.7549 40.1559 177.1756 62 H 4.8634 7.8391 119.2977 54.4700 27.6511 175.1691 63 Q 4.0003 8.1286 121.7334 58.8548 29.0462 178.5226 64 A 3.9467 8.0310 120.9341 55.2450 18.4911 179.4409 65 A 3.8010 8.0393 118.7811 55.4104 18.2980 179.3202 66 M 3.9507 8.2813 117.4793 58.6772 31.9606 178.9205 67 Q 3.8936 8.2843 119.5814 59.3523 29.2403 177.8228 68 I 3.6509 7.5456 120.6749 64.9142 37.1642 178.4070 69 I 3.7262 7.9339 120.4436 64.2043 36.8900 178.4615 70 R 3.9349 8.2424 119.9670 59.3991 29.8728 178.4058 71 E 3.9563 8.3790 118.4851 59.5025 29.4402 179.2949 72 I 3.6314 7.5370 119.8121 64.3681 37.2536 178.2175 73 I 3.7743 7.9148 120.5119 64.8384 37.0653 178.0116 74 N 4.2132 8.2841 116.6982 56.4368 38.0940 176.9748 75 E 3.8392 8.5917 120.1737 59.8942 29.6080 179.6155 76 E 3.6070 8.2189 118.1447 58.8206 28.9618 179.0762 77 A 3.8443 7.9336 120.7697 54.5517 18.3551 179.6674 78 A 3.9698 7.7805 119.7967 55.3749 18.6799 179.5042 79 E 3.9352 7.8561 117.3767 58.7017 29.5023 178.6264 80 W 4.1735 8.3633 128.8667 60.7432 30.5615 177.6792 81 D 4.4849 7.7008 116.5361 57.1421 40.3657 178.6106 82 V 3.7320 7.6492 118.1769 65.2820 31.6379 177.1705 83 Q 4.3102 7.4811 114.7783 55.5673 29.9707 175.8160 84 H 4.6581 7.2389 117.8502 52.2409 29.0538 171.8878 85 P 3.9988 0.0000 0.0000 64.8520 31.6784 173.3969 86 I 3.0862 7.1015 124.8394 59.7129 39.0246 171.5985 87 P 4.4776 0.0000 0.0000 61.5844 32.0824 175.8607 88 A 4.1301 8.4293 123.5039 52.1238 18.4096 177.4822 89 G 4.0746 8.1015 111.3374 44.4357 0.0000 171.2930 90 P 4.1541 0.0000 0.0000 62.4826 27.4023 175.5804 91 L 3.9516 7.6658 118.7505 56.8951 43.6142 177.6161 92 P 5.0392 0.0000 0.0000 62.1623 31.7681 176.9609 93 A 4.5665 8.7357 124.6100 52.0015 24.8586 176.8954 94 G 4.0368 9.2459 106.2307 47.9891 0.0000 172.9256 95 Q 3.8213 8.1569 120.0375 55.4230 29.3215 176.4523 96 L 3.9152 8.5718 126.1236 55.2032 42.4067 176.9645 97 R 4.1910 8.6931 122.1082 56.3107 29.8148 176.2525 98 E 4.3343 8.6403 119.1982 55.5932 30.1778 175.2460 99 P 3.9521 0.0000 0.0000 62.5840 31.9847 177.2497 100 R 4.7306 8.3808 120.8766 55.0326 32.6323 177.7287 101 G 3.7399 9.7718 106.1062 47.8403 0.0000 175.3147 102 S 4.4796 7.9319 114.3189 59.5395 63.1713 175.7066 103 D 4.4365 7.6551 122.8278 57.0302 40.3670 178.5274 104 I 3.2250 7.1435 119.1228 63.7034 37.1722 176.6822 105 A 2.7225 7.0930 119.8829 51.7599 18.5487 178.2422 106 G 3.9837 7.3456 102.9628 45.6110 0.0000 175.1834 107 T 4.0756 7.7863 117.3724 65.9575 68.5298 175.8587 108 T 4.6436 7.8297 108.7058 60.8912 69.1683 173.2527 109 S 4.9466 7.7410 115.5084 56.9236 66.3870 172.5131 110 T 4.5817 8.3123 111.6488 59.6981 72.0866 175.9303 111 V 3.7723 7.9388 121.2846 64.9439 31.3191 177.9592 112 E 3.8975 8.0923 118.8660 59.4105 29.3675 179.1936 113 E 3.5893 7.8465 118.1393 59.2648 29.4798 179.5182 114 Q 4.3127 8.3423 118.5053 59.2091 28.9408 178.9135 115 I 3.8905 8.5237 121.6509 64.3015 37.1996 178.5430 116 Q 3.9089 7.9795 119.1519 58.7266 28.4085 178.9062 117 W 4.3005 7.7198 119.8029 60.1146 28.8814 178.6312 118 M 3.8247 7.7980 118.7528 56.7758 31.3468 177.2371 119 F 4.6466 7.5006 115.1143 57.0965 41.3284 176.1597 120 R 3.9836 7.4986 116.5496 56.0969 29.3671 174.9294 121 P 4.3678 0.0000 0.0000 64.8562 32.0683 176.2066 122 Q 4.2080 8.0721 118.1273 55.5344 28.8557 175.2904 123 N 4.0671 8.7797 116.5133 53.6011 35.4631 172.2678 124 P 4.6044 0.0000 0.0000 62.2018 32.3747 176.9810 125 V 4.3341 8.9814 119.0481 59.9643 33.8227 173.8741 126 P 4.7129 0.0000 0.0000 62.3232 28.2761 177.0450 127 V 3.3160 7.7090 120.1727 65.1790 32.0275 177.5878 128 G 4.2393 7.8809 106.3525 47.8310 0.0000 175.2347 129 N 4.2659 7.9352 118.9646 55.7145 38.5637 177.4899 130 I 3.5158 7.6685 121.3070 64.4871 37.0720 177.9058 131 Y 3.4724 7.8077 120.5691 60.2478 38.5423 177.9026 132 R 3.8990 7.9689 119.3660 59.5158 29.7402 179.0813 133 R 4.0305 8.1165 117.7678 59.2656 29.6707 179.0924 134 W 4.5472 7.8814 118.5242 59.3086 29.0530 178.4812 135 I 3.8621 7.4808 119.3653 63.4063 36.4083 178.0890 136 Q 3.9241 8.1588 120.8617 59.2241 28.9651 178.0542 137 I 3.8145 7.5830 119.8949 64.2599 37.0553 178.7546 138 G 3.5058 7.7572 105.1953 47.7448 0.0000 175.6792 139 L 3.9659 8.0839 122.5508 57.5880 41.8211 179.4299 140 Q 4.0059 8.9932 118.9761 59.1409 28.6441 179.4743 141 K 3.9541 8.0438 120.1972 59.7711 32.2694 178.6328 142 C 4.0805 8.3497 117.4538 62.8014 27.7141 176.3105 143 V 3.9877 7.7972 120.5342 65.6639 31.1955 178.0958 144 R 4.1004 7.8277 116.4086 58.9977 29.9619 178.1643 145 M 4.3406 7.9621 117.0344 56.7338 32.5409 175.8478 146 Y 3.8506 8.0165 121.0378 58.1572 38.0219 175.6444 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 P 0.00 4.84 0.00 2.11 2.20 0.00 3.79 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 2.01 1.93 0.00 3 V 8.49 4.84 2.27 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 0.82 0.00 0.00 1.25 0.00 0.00 4 Q 9.74 4.49 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.59 0.00 0.00 0.00 0.00 0.00 2.40 2.22 0.00 5 H 8.68 4.46 0.00 2.64 2.97 0.00 5.69 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 6 V 8.04 4.08 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 0.65 0.00 0.00 0.86 0.00 0.00 7 G 8.45 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 8 G 8.06 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 0.00 0.00 0.00 9 T 7.41 4.54 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 1.21 0.00 0.00 10 Y 8.61 4.53 0.00 2.71 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.83 4.76 4.22 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 1.19 0.00 0.00 12 H 8.90 4.72 0.00 3.05 3.20 0.00 5.86 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.41 4.46 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.91 0.91 0.00 0.00 14 P 0.00 4.46 0.00 2.25 2.12 0.00 3.75 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 15 L 8.29 4.12 0.00 1.69 1.67 0.89 0.87 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 16 S 8.71 4.19 0.00 4.05 4.02 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 17 P 0.00 4.30 0.00 2.19 2.18 0.00 3.61 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 18 R 7.89 3.96 0.00 1.79 2.00 0.00 3.23 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 19 T 7.76 4.05 4.40 0.00 0.00 0.00 0.00 0.00 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 20 L 7.80 4.12 0.00 1.94 1.82 0.97 0.62 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 21 N 8.51 4.40 0.00 2.76 2.89 0.00 0.00 6.97 6.80 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 22 A 8.05 4.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 W 8.35 4.53 0.00 3.38 3.38 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 24 V 7.73 3.19 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 0.77 0.00 0.00 0.97 0.00 0.00 25 K 8.04 3.94 0.00 1.94 1.79 0.00 1.71 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.63 7.81 26 L 7.63 3.83 0.00 1.91 1.54 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 27 V 7.19 2.84 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 -0.83 0.00 0.00 28 E 7.98 4.09 0.00 1.90 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 2.36 2.21 0.00 29 E 7.44 4.08 0.00 2.08 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 2.38 2.34 0.00 30 K 7.45 4.45 0.00 1.70 1.73 0.00 1.95 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.28 1.48 7.81 31 K 9.00 3.52 0.00 1.89 2.02 0.00 2.14 0.00 0.00 1.93 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.59 1.52 7.81 32 F 7.54 3.30 0.00 2.38 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 33 G 7.32 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 34 A 8.76 4.03 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 35 E 8.23 4.16 0.00 2.18 2.23 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 2.29 2.29 0.00 36 V 7.67 3.85 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 0.31 0.00 0.00 1.10 0.00 0.00 37 V 7.47 3.82 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 1.19 0.00 0.00 1.01 0.00 0.00 38 P 0.00 4.39 0.00 2.24 2.14 0.00 3.92 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.21 0.00 39 G 8.71 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 F 9.21 3.66 0.00 3.28 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 8.43 3.75 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.75 0.00 0.00 0.00 0.00 0.00 2.60 2.60 0.00 42 A 7.70 4.08 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.63 3.90 0.00 1.50 1.65 1.09 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 44 S 7.46 4.17 0.00 3.26 2.74 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 45 E 6.70 3.86 0.00 2.15 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 2.27 2.37 0.00 46 G 8.95 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 0.00 0.00 0.00 47 C 7.65 4.48 0.00 3.03 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 48 T 8.53 4.52 4.51 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 1.30 0.00 0.00 49 P 0.00 4.56 0.00 2.14 2.04 0.00 3.84 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 50 Y 8.31 4.04 0.00 3.19 2.89 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 51 D 8.25 4.43 0.00 2.97 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 52 I 7.94 3.66 2.11 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 1.40 1.26 0.75 0.00 0.00 53 N 8.81 4.45 0.00 2.76 2.84 0.00 0.00 7.07 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 54 Q 7.73 3.90 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.94 0.00 0.00 0.00 0.00 0.00 1.95 2.36 0.00 55 M 8.13 4.29 0.00 1.46 2.16 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.34 0.00 56 L 7.87 4.25 0.00 1.96 1.81 0.97 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 57 N 8.35 4.41 0.00 2.68 2.93 0.00 0.00 7.14 7.57 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 58 C 7.81 4.45 0.00 3.42 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 59 V 7.72 4.56 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 0.66 0.00 0.00 1.26 0.00 0.00 60 G 8.30 3.78 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 0.00 0.00 0.00 61 D 8.06 4.72 0.00 2.77 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 62 H 7.84 4.86 0.00 3.58 3.50 0.00 5.63 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 8.13 4.00 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 64 A 8.03 3.95 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.04 3.80 0.43 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 66 M 8.28 3.95 0.00 2.06 2.32 0.00 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.90 0.00 67 Q 8.28 3.89 0.00 2.33 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.70 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 68 I 7.55 3.65 1.96 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.67 0.87 0.00 0.00 69 I 7.93 3.73 2.01 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 1.34 0.80 0.91 0.00 0.00 70 R 8.24 3.93 0.00 2.11 2.01 0.00 3.17 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 71 E 8.38 3.96 0.00 2.18 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 2.32 2.34 0.00 72 I 7.54 3.63 2.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.83 0.94 0.00 0.00 73 I 7.91 3.77 1.98 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.74 1.10 0.00 0.00 74 N 8.28 4.21 0.00 2.98 2.83 0.00 0.00 7.04 7.28 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 75 E 8.59 3.84 0.00 2.09 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 2.27 2.33 0.00 76 E 8.22 3.61 0.00 1.16 1.12 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 2.08 1.97 0.00 77 A 7.93 3.84 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 78 A 7.78 3.97 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 7.86 3.94 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.57 0.00 80 W 8.36 4.17 0.00 3.76 3.38 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 81 D 7.70 4.48 0.00 2.95 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 82 V 7.65 3.73 2.21 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 0.82 0.00 0.00 0.96 0.00 0.00 83 Q 7.48 4.31 0.00 1.90 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.93 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 84 H 7.24 4.66 0.00 2.96 3.03 0.00 5.85 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.00 0.00 2.00 2.12 0.00 3.73 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.05 0.00 86 I 7.10 3.09 1.89 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 1.33 0.53 0.93 0.00 0.00 87 P 0.00 4.48 0.00 2.09 1.97 0.00 3.74 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 2.03 2.07 0.00 88 A 8.43 4.13 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 89 G 8.10 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 P 0.00 4.15 0.00 2.10 2.06 0.00 3.73 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.18 0.00 91 L 7.67 3.95 0.00 1.65 1.68 0.93 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 5.04 0.00 2.19 1.14 0.00 3.82 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 1.94 1.96 0.00 93 A 8.74 4.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 G 9.25 4.04 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 0.00 0.00 0.00 95 Q 8.16 3.82 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 96 L 8.57 3.92 0.00 1.49 1.49 0.69 -0.16 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 97 R 8.69 4.19 0.00 2.08 2.06 0.00 3.21 0.00 0.00 3.35 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 98 E 8.64 4.33 0.00 2.03 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 2.40 2.29 0.00 99 P 0.00 3.95 0.00 1.30 0.49 0.00 3.52 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.81 0.00 100 R 8.38 4.73 0.00 1.91 2.14 0.00 3.38 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 101 G 9.77 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 0.00 102 S 7.93 4.48 0.00 4.05 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 0.00 103 D 7.66 4.44 0.00 2.36 2.53 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 0.00 104 I 7.14 3.22 1.37 0.00 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 -0.36 -0.49 0.00 0.00 105 A 7.09 2.72 1.23 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 0.00 106 G 7.35 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 0.00 107 T 7.79 4.08 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 0.00 108 T 7.83 4.64 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 1.23 0.00 0.00 109 S 7.74 4.95 0.00 4.18 4.38 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 0.00 110 T 8.31 4.58 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 111 V 7.94 3.77 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 0.55 0.00 0.00 0.68 0.00 0.00 112 E 8.09 3.90 0.00 1.97 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 2.34 2.42 0.00 113 E 7.85 3.59 0.00 2.08 1.19 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 1.94 2.13 0.00 114 Q 8.34 4.31 0.00 2.28 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.49 2.65 0.00 115 I 8.52 3.89 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 1.72 1.07 1.11 0.00 0.00 116 Q 7.98 3.91 0.00 1.96 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 117 W 7.72 4.30 0.00 3.45 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 0.00 118 M 7.80 3.82 0.00 1.16 1.61 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.23 0.00 119 F 7.50 4.65 0.00 2.61 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 R 7.50 3.98 0.00 1.95 2.04 0.00 3.10 0.00 0.00 3.31 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.62 0.00 121 P 0.00 4.37 0.00 2.23 2.25 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 122 Q 8.07 4.21 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.45 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 123 N 8.78 4.07 0.00 2.82 2.82 0.00 0.00 7.20 8.02 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 0.00 124 P 0.00 4.60 0.00 2.14 2.18 0.00 3.71 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 125 V 8.98 4.33 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 0.99 0.00 0.00 0.96 0.00 0.00 126 P 0.00 4.71 0.00 2.21 2.11 0.00 3.74 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 2.03 2.02 0.00 127 V 7.71 3.32 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 0.57 0.00 0.00 1.00 0.00 0.00 128 G 7.88 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 0.00 0.00 0.00 0.00 129 N 7.94 4.27 0.00 2.66 2.81 0.00 0.00 7.01 7.26 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 0.00 130 I 7.67 3.52 1.38 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 1.42 0.63 0.38 0.00 0.00 131 Y 7.81 3.47 0.00 2.65 2.89 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 0.00 132 R 7.97 3.90 0.00 2.03 1.95 0.00 3.04 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.74 0.00 133 R 8.12 4.03 0.00 2.12 2.13 0.00 3.21 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.89 0.00 134 W 7.88 4.55 0.00 3.47 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 I 7.48 3.86 1.70 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.20 -0.05 0.00 0.00 136 Q 8.16 3.92 0.00 2.27 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.79 0.00 0.00 0.00 0.00 0.00 2.60 2.50 0.00 137 I 7.58 3.81 1.92 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.93 0.92 0.00 0.00 138 G 7.76 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 L 8.08 3.97 0.00 1.81 1.81 0.61 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 140 Q 8.99 4.01 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 141 K 8.04 3.95 0.00 2.02 2.02 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.48 7.81 142 C 8.35 4.08 0.00 2.92 2.31 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 0.00 143 V 7.80 3.99 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 1.15 0.00 0.00 1.07 0.00 0.00 144 R 7.83 4.10 0.00 2.07 2.00 0.00 3.22 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.94 0.00 145 M 7.96 4.34 0.00 2.02 2.30 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.57 0.00 146 Y 8.02 3.85 0.00 3.20 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