NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.8045 8.2827 118.1454 52.1720 38.9487 174.3866 2 L 3.9325 8.2413 118.6954 57.6948 41.8727 177.3641 3 K 3.7901 8.8673 120.4201 59.4687 32.4582 178.2682 4 Q 4.0753 8.4953 118.7312 58.6899 28.5685 178.1963 5 F 4.4313 8.3180 121.7328 61.3737 39.0901 177.2539 6 K 3.6808 8.2154 118.3010 59.6334 31.8169 179.1424 7 N 4.4779 8.1135 116.2088 56.3949 38.3466 177.4920 8 M 4.1733 8.4320 120.7399 58.2683 32.1183 178.6738 9 I 3.6488 7.8109 120.3826 64.3927 37.1441 178.1390 10 Q 4.2760 7.6871 115.6745 58.0898 29.1593 177.1825 11 C 4.4175 8.2078 121.1460 59.9300 43.6219 175.2287 12 A 4.3552 7.7055 122.2977 53.5426 18.3882 176.4936 13 G 4.2692 7.9052 104.2583 44.3249 0.0000 171.8035 14 T 4.0405 8.3634 111.5065 63.8400 67.9663 175.1989 *17 R 4.3086 7.8229 117.3149 56.2334 31.1971 175.0630 18 T 4.5806 7.7285 110.9484 59.8546 71.1665 175.4753 19 W 4.5473 8.9165 118.3245 60.0151 27.7260 178.1545 20 T 3.2516 6.8290 110.0884 63.8103 67.8669 175.7637 21 S 4.2196 7.2832 115.1560 59.8065 63.6182 174.6511 22 Y 4.5911 7.6875 119.7478 58.4553 38.7326 177.3025 23 I 3.8989 7.4190 120.1560 64.2056 37.9978 176.3219 24 G 4.3193 7.9395 107.3144 44.8411 0.0000 171.2207 25 Y 4.3968 7.9375 119.4254 56.4556 41.9185 175.9263 26 G 3.7665 7.7995 115.6837 47.0128 0.0000 172.5678 27 C 4.4308 9.0613 113.9498 58.0760 36.1521 174.3197 28 Y 4.6543 8.8454 115.5070 57.4446 39.6519 174.7166 29 C 4.5960 8.1370 118.2900 57.7831 40.9292 173.8457 30 G 3.9531 8.9304 109.6043 45.2882 0.0000 172.0515 31 Y 3.9789 8.8484 118.8839 59.2117 39.9721 178.7978 32 G 3.4700 6.8661 110.4787 46.0615 0.0000 173.7402 33 G 4.1325 8.0052 113.6738 44.2688 0.0000 171.6690 34 S 4.6149 6.9004 113.4783 58.4607 65.7764 174.2435 35 G 3.8675 8.5806 107.0786 46.0649 0.0000 172.0701 36 T 4.4064 8.1208 114.9811 61.2368 69.7217 173.1022 37 P 4.6994 0.0000 0.0000 62.7840 31.6660 177.1152 38 V 3.7712 9.0555 118.3955 64.1653 31.8931 175.2924 39 D 4.6175 7.6277 116.9073 51.3056 41.5869 174.7447 40 E 3.9111 9.0947 118.3924 59.8043 29.3998 178.7474 41 L 3.9762 7.9591 119.5885 58.3707 42.0752 178.2284 42 D 4.5425 9.0910 118.3208 57.4544 41.1250 178.1731 43 R 3.9064 8.4680 119.7093 59.4538 30.0548 177.8099 44 C 4.3492 8.4105 116.4631 60.4739 41.5061 175.5486 45 C 4.5017 8.4652 118.0191 60.0552 33.9828 175.5327 46 Y 3.8730 8.4379 121.4408 60.9782 38.2893 178.3614 47 T 3.7019 7.9751 116.5478 66.8882 68.5784 176.0364 48 H 3.8211 8.1733 120.0472 59.2835 29.8722 176.8577 49 D 4.2003 8.0820 120.5427 57.8221 40.6802 178.6614 50 H 4.0914 7.7653 116.0997 58.7277 28.6360 177.0042 51 C 4.3391 8.3044 120.7204 60.0588 43.2219 175.3473 52 Y 4.1806 7.9217 117.1991 61.0601 37.2265 177.8909 53 N 4.5017 8.0931 117.3221 56.4192 38.6839 177.6502 54 K 4.0344 8.3936 119.5880 59.1402 32.1044 179.0903 55 A 3.5701 8.2947 121.0532 55.1669 17.9935 179.5132 56 A 4.1225 7.4231 116.8318 54.8990 18.4641 178.7719 57 N 4.4643 8.1090 112.9754 53.3022 38.9051 174.7405 58 I 4.3443 6.8188 122.0094 58.3388 39.1963 173.9463 59 P 4.1728 0.0000 0.0000 64.2398 31.6833 176.3466 60 G 3.9538 8.5930 110.0247 46.8579 0.0000 173.8931 61 C 4.7138 8.1396 117.7292 54.2379 44.3279 172.2544 62 N 4.8808 8.4375 125.9669 50.7471 40.2226 172.8010 63 P 3.9252 0.0000 0.0000 65.3382 31.5162 177.3894 64 L 4.2889 8.1747 118.6263 55.5848 42.0219 177.8861 65 I 4.2921 7.5398 109.0483 60.1751 39.1419 175.5043 66 K 3.9287 7.8689 123.5995 56.7278 32.1070 175.8937 67 T 4.2557 8.4033 123.9676 62.4605 69.2182 173.7283 68 Y 4.8872 7.8368 125.2602 55.2263 40.9200 174.3302 69 S 5.1386 9.4308 116.0504 57.2420 64.9389 173.4972 70 Y 5.3494 8.3841 121.0077 56.3996 40.7907 173.5439 71 T 4.4601 9.0556 114.6564 60.2962 71.3454 171.5402 72 C 5.4323 8.6696 125.8038 55.1381 44.3050 174.3111 73 T 4.4481 8.8215 123.6899 61.1698 68.2307 171.4765 74 K 4.5335 7.6920 121.3473 55.4932 32.7752 173.4429 75 P 5.3587 0.0000 0.0000 62.1608 31.7507 174.4970 76 N 4.8016 9.0606 118.5557 52.7479 39.5879 173.8687 77 I 5.0336 8.2390 123.2137 59.9278 39.6586 175.1037 78 T 4.6503 8.8776 122.6528 61.9662 71.9373 172.2484 79 C 4.9017 8.8969 124.1837 56.4208 40.6923 173.4138 80 N 4.4755 9.0313 121.3444 54.5460 39.3608 175.9727 81 D 4.5689 8.1893 118.4378 54.7790 41.6895 175.0089 82 T 4.4609 8.3883 117.7284 65.6058 71.0538 175.8573 83 S 4.1454 8.2090 115.1837 61.6371 63.0704 175.5087 84 D 4.5562 7.8785 123.1300 53.6110 40.0582 176.1080 85 S 4.1315 8.4925 123.1026 61.4779 63.0486 176.7660 86 C 4.2267 8.2403 120.2209 59.5557 42.8184 175.1443 87 A 4.1310 8.5221 122.6721 55.3331 18.0465 179.7565 88 R 3.8087 8.2687 114.7882 59.3402 29.4268 178.8126 89 F 3.9063 8.4297 121.3631 61.1079 39.4748 177.2581 90 I 3.7430 8.0185 119.4658 64.5071 36.8220 177.6355 91 C 2.9573 8.0862 119.6620 59.0731 42.6912 175.1971 92 D 4.0145 7.6186 119.6816 57.2428 40.7837 177.2785 93 C 3.9188 7.7362 116.9511 60.2705 36.8707 175.9474 94 D 3.7568 7.9272 119.9969 57.1869 40.3446 178.9528 95 R 3.7944 8.0293 119.4228 59.6321 30.0060 178.6150 96 T 3.7086 8.0004 115.5814 66.5316 68.4656 176.4367 97 A 3.5321 7.8147 122.2451 54.8723 18.4440 179.3704 98 A 3.6267 8.2069 119.5879 55.4615 18.4468 180.0277 99 I 3.6797 7.8448 118.3447 64.3885 37.1724 177.8070 100 C 4.2409 8.2505 119.5422 59.7181 43.2692 175.4864 101 F 4.2797 8.2704 118.0134 60.7971 38.5700 177.1818 102 A 4.2449 7.7845 118.4833 55.3632 18.2951 179.4229 103 S 4.3068 8.1126 111.4844 59.4038 63.4694 174.8017 104 A 4.6505 7.1416 123.7061 50.0455 19.2682 175.5203 105 P 4.4670 0.0000 0.0000 62.4089 32.1779 175.7855 106 Y 4.2988 8.4573 122.0652 56.0849 39.3093 175.4107 107 N 4.7998 9.0629 127.7220 51.5268 38.2377 176.3071 108 I 3.3240 8.3659 118.4529 63.4470 37.7939 178.2495 109 N 4.3472 8.1378 117.6364 55.6403 38.7342 175.2460 110 N 4.5315 8.6557 115.4938 52.6626 38.7865 174.1219 111 I 3.8913 7.0374 119.9373 61.6899 38.3475 175.4959 112 M 3.0428 8.1034 124.9868 56.0449 28.8966 176.6145 113 I 4.5797 7.0116 109.4589 59.6811 40.0169 178.0920 114 S 4.2328 8.2589 115.3611 60.8213 62.5671 174.7973 115 A 4.4829 7.8701 121.2301 51.6679 19.6185 176.2729 116 S 4.6475 8.1371 113.2077 56.6100 65.1644 175.1973 117 T 3.8726 8.4414 110.0967 64.9934 68.2998 176.1655 118 S 4.0625 7.6769 117.4308 61.5685 62.6145 174.6525 119 C 4.7061 8.0208 114.7790 56.6229 40.2323 173.9534 120 Q 4.1639 7.8961 125.1861 56.3466 28.1728 176.2312 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 N 8.28 4.80 0.00 3.08 2.92 0.00 0.00 5.74 5.79 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 2 L 8.24 3.93 0.00 1.84 1.71 1.20 0.69 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 3 K 8.87 3.79 0.00 1.76 1.87 0.00 1.78 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.44 1.43 7.81 4 Q 8.50 4.08 0.00 2.03 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.58 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 5 F 8.32 4.43 0.00 3.34 3.28 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 6 K 8.22 3.68 0.00 1.71 1.46 0.00 1.04 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.43 1.15 7.81 7 N 8.11 4.48 0.00 3.13 3.03 0.00 0.00 7.07 6.96 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 8 M 8.43 4.17 0.00 2.03 2.27 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 9 I 7.81 3.65 2.06 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.62 1.18 0.00 0.00 10 Q 7.69 4.28 0.00 2.27 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.96 0.00 0.00 0.00 0.00 0.00 2.61 2.53 0.00 11 C 8.21 4.42 0.00 3.24 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 12 A 7.71 4.36 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 0.00 0.00 0.00 0.00 0.00 0.00 13 G 7.91 4.27 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 0.00 14 T 8.36 4.04 4.25 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 1.22 0.00 0.00 *17 R 7.82 4.31 0.00 1.78 1.49 0.00 2.77 0.00 0.00 2.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.40 0.00 18 T 7.73 4.58 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 1.21 0.00 0.00 19 W 8.92 4.55 0.00 3.71 3.34 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 20 T 6.83 3.25 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 -0.23 0.00 0.00 21 S 7.28 4.22 0.00 3.44 3.57 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 0.00 0.00 0.00 0.00 22 Y 7.69 4.59 0.00 3.19 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.42 3.90 2.03 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.32 0.97 0.00 0.00 24 G 7.94 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 0.00 0.00 0.00 0.00 25 Y 7.94 4.40 0.00 2.95 2.80 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 26 G 7.80 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 C 9.06 4.43 0.00 3.10 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 28 Y 8.85 4.65 0.00 3.30 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 29 C 8.14 4.60 0.00 3.33 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.93 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 31 Y 8.85 3.98 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 32 G 6.87 3.47 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 0.00 0.00 0.00 33 G 8.01 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 0.00 0.00 0.00 34 S 6.90 4.61 0.00 3.96 3.82 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 35 G 8.58 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 36 T 8.12 4.41 4.25 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 1.16 0.00 0.00 37 P 0.00 4.70 0.00 1.91 1.90 0.00 3.37 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.39 0.00 38 V 9.06 3.77 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 0.66 0.00 0.00 0.93 0.00 0.00 39 D 7.63 4.62 0.00 2.91 2.80 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 40 E 9.09 3.91 0.00 2.09 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 0.00 2.43 2.42 0.00 41 L 7.96 3.98 0.00 1.82 1.69 0.51 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 42 D 9.09 4.54 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 43 R 8.47 3.91 0.00 2.20 1.97 0.00 3.10 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 44 C 8.41 4.35 0.00 3.56 3.45 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 45 C 8.47 4.50 0.00 3.38 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.44 3.87 0.00 2.72 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 47 T 7.98 3.70 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 1.14 0.00 0.00 48 H 8.17 3.82 0.00 3.01 3.33 0.00 5.59 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.08 4.20 0.00 2.95 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.77 4.09 0.00 3.17 3.21 0.00 5.82 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 C 8.30 4.34 0.00 3.01 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 52 Y 7.92 4.18 0.00 2.90 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.09 4.50 0.00 2.93 2.88 0.00 0.00 6.99 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 54 K 8.39 4.03 0.00 2.19 1.85 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.48 1.68 7.81 55 A 8.29 3.57 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 56 A 7.42 4.12 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 57 N 8.11 4.46 0.00 2.71 2.76 0.00 0.00 6.88 7.40 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 58 I 6.82 4.34 1.83 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.18 0.81 0.00 0.00 59 P 0.00 4.17 0.00 2.00 1.96 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 60 G 8.59 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 61 C 8.14 4.71 0.00 3.03 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 62 N 8.44 4.88 0.00 2.67 2.58 0.00 0.00 6.89 7.71 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 63 P 0.00 3.93 0.00 0.62 1.48 0.00 3.69 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.78 0.00 64 L 8.17 4.29 0.00 1.74 1.77 1.01 0.62 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 65 I 7.54 4.29 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 1.26 0.62 0.89 0.00 0.00 66 K 7.87 3.93 0.00 2.03 1.78 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.60 7.81 67 T 8.40 4.26 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 1.15 0.00 0.00 68 Y 7.84 4.89 0.00 3.22 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 S 9.43 5.14 0.00 3.97 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 70 Y 8.38 5.35 0.00 3.17 3.07 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 71 T 9.06 4.46 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 1.29 0.00 0.00 72 C 8.67 5.43 0.00 3.16 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 73 T 8.82 4.45 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 74 K 7.69 4.53 0.00 1.75 1.74 0.00 1.79 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.45 1.73 7.81 75 P 0.00 5.36 0.00 2.28 2.25 0.00 3.91 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 2.05 1.95 0.00 76 N 9.06 4.80 0.00 2.76 2.79 0.00 0.00 6.89 7.20 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 77 I 8.24 5.03 1.89 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 1.45 0.63 0.98 0.00 0.00 78 T 8.88 4.65 4.29 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 1.23 0.00 0.00 79 C 8.90 4.90 0.00 2.80 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 N 9.03 4.48 0.00 2.66 2.90 0.00 0.00 7.10 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 81 D 8.19 4.57 0.00 2.69 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 82 T 8.39 4.46 4.25 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 1.22 0.00 0.00 83 S 8.21 4.15 0.00 3.87 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 84 D 7.88 4.56 0.00 2.73 2.62 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 85 S 8.49 4.13 0.00 3.89 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 0.00 86 C 8.24 4.23 0.00 2.96 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 87 A 8.52 4.13 1.58 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 0.00 0.00 88 R 8.27 3.81 0.00 2.18 2.37 0.00 2.96 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.67 0.00 89 F 8.43 3.91 0.00 3.26 3.22 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 90 I 8.02 3.74 2.07 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 1.41 0.78 1.08 0.00 0.00 91 C 8.09 2.96 0.00 2.15 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 D 7.62 4.01 0.00 2.77 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.74 3.92 0.00 3.13 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 D 7.93 3.76 0.00 2.56 2.83 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 0.00 0.00 0.00 95 R 8.03 3.79 0.00 1.77 1.82 0.00 3.05 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 96 T 8.00 3.71 4.25 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 1.10 0.00 0.00 97 A 7.81 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.21 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 99 I 7.84 3.68 1.81 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 1.39 0.83 0.90 0.00 0.00 100 C 8.25 4.24 0.00 3.12 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 0.00 101 F 8.27 4.28 0.00 2.84 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 0.00 102 A 7.78 4.24 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 0.00 103 S 8.11 4.31 0.00 3.91 3.96 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 0.00 104 A 7.14 4.65 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 0.00 105 P 0.00 4.47 0.00 2.12 2.04 0.00 3.69 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 106 Y 8.46 4.30 0.00 2.86 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 N 9.06 4.80 0.00 2.82 2.94 0.00 0.00 6.38 7.18 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 0.00 108 I 8.37 3.32 1.94 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 1.47 0.74 1.12 0.00 0.00 109 N 8.14 4.35 0.00 2.66 2.89 0.00 0.00 6.85 8.00 0.00 0.00 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 N 8.66 4.53 0.00 2.27 2.19 0.00 0.00 6.83 5.12 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 0.00 111 I 7.04 3.89 1.81 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 1.29 0.50 0.92 0.00 0.00 112 M 8.10 3.04 0.00 2.09 2.07 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 2.49 2.43 0.00 113 I 7.01 4.58 1.79 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.83 0.78 0.00 0.00 114 S 8.26 4.23 0.00 3.94 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 0.00 115 A 7.87 4.48 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 0.00 116 S 8.14 4.65 0.00 3.92 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 0.00 117 T 8.44 3.87 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 1.20 0.00 0.00 118 S 7.68 4.06 0.00 3.78 3.96 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 0.00 119 C 8.02 4.71 0.00 3.11 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 0.00 120 Q 7.90 4.16 0.00 2.37 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.55 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 * Residues marked with a * may have inaccurate shift predictions.