NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7951 8.3549 109.7388 45.5083 0.0000 173.3686 *2 T 4.1668 8.3621 119.3666 63.2597 69.6062 173.6737 3 F 4.1794 9.0205 125.2519 57.3083 39.7664 174.9728 4 R 4.7465 8.2847 122.5570 54.4382 33.1509 175.3728 5 D 4.8169 8.2375 119.8246 53.4440 42.2637 178.0226 6 T 3.9635 8.3249 111.1226 64.0745 69.0393 176.5640 7 S 4.0700 8.0663 115.9406 60.5849 63.2043 175.2478 8 A 3.9622 8.1925 124.3910 54.1456 18.2682 176.8133 9 I 3.9641 7.4654 117.3999 60.1325 37.4302 175.6528 10 A 4.2626 8.5982 129.3435 54.6933 19.2310 176.7197 11 S 4.4796 6.9991 107.7781 57.9699 66.1994 174.8212 12 W 4.9182 8.4912 118.9752 55.0004 32.9759 174.5619 13 H 5.4435 8.5733 118.5671 53.9552 31.6429 172.8232 14 A 5.1290 9.1820 123.9837 50.3934 22.4970 174.7703 15 H 5.1905 9.0854 117.6122 53.8686 32.5402 173.0536 16 V 4.0269 8.3761 124.6522 62.7566 32.3925 174.4191 17 Y 5.5417 9.0236 126.4708 57.2804 40.0917 174.7558 18 F 4.9760 8.4706 117.0607 57.1039 41.8277 171.6191 19 D 3.3700 8.8168 116.2734 51.8562 41.4958 175.2712 20 A 3.8665 7.2841 120.4311 55.5676 18.4293 180.2569 21 S 4.1744 7.7696 109.7929 60.5419 63.2538 175.2806 22 S 4.7854 8.0183 113.8655 57.7620 63.4635 175.7531 23 R 4.1928 8.1088 122.8419 60.3041 29.8300 178.2844 24 D 4.4845 8.2957 117.9543 57.4416 40.9051 178.4972 25 A 4.0788 8.1462 120.5730 55.1043 18.3920 179.3697 26 A 4.0963 8.4414 119.6368 54.9818 18.3809 179.7213 27 W 3.7201 8.5255 126.9502 60.8317 30.9302 178.3766 28 T 3.8476 8.1695 115.7291 66.5768 67.8102 176.3821 29 L 4.0454 8.0513 122.2634 58.1403 42.0426 178.9312 30 R 3.7249 8.1342 118.7928 59.4386 29.7939 178.4063 31 E 4.1347 7.7366 119.6589 58.8796 29.2855 179.3642 32 Q 4.1016 8.0631 117.8199 58.8035 28.7545 178.6858 33 I 3.8989 8.2595 121.3102 64.3491 37.0279 178.1168 34 E 3.9154 8.3598 119.3476 59.5494 29.1324 179.3666 35 A 3.9378 7.9300 119.2039 55.2688 18.5316 178.5598 36 H 4.1779 8.3716 115.3520 56.9409 30.2433 175.7253 37 W 4.6956 8.0079 119.8772 55.7810 30.2135 174.9484 38 S 4.2711 8.0696 113.6576 59.7440 62.6364 174.7197 39 G 3.9730 8.9773 111.8902 45.6285 0.0000 173.6866 40 K 4.5375 8.0089 117.7182 56.3097 33.4635 175.5451 41 L 4.6927 7.5211 116.9541 55.0758 43.3488 174.1063 42 Q 4.6122 8.9881 119.2654 54.3392 30.6910 174.4563 43 L 4.9748 8.6024 126.3409 53.5065 43.8571 176.3446 44 G 4.1704 8.8701 114.7206 45.0622 0.0000 173.2246 45 R 4.3518 8.4689 118.2843 55.9733 31.1388 177.4153 46 F 4.7843 8.9135 124.0894 58.1619 39.6056 174.4326 47 H 4.6475 9.3299 125.1583 54.1376 29.6958 175.8459 48 E 3.8135 8.2660 125.9899 55.1637 29.9264 176.2528 49 R 3.9337 6.6956 112.3046 53.9573 32.1899 172.5536 50 P 4.3279 0.0000 0.0000 62.6622 31.8873 176.6036 51 V 4.4734 7.5878 114.5524 60.2419 35.7994 176.6879 52 G 3.7047 8.2437 110.8787 46.8152 0.0000 173.0424 53 P 4.6358 0.0000 0.0000 62.8761 32.1962 174.8538 54 H 5.0222 8.4122 118.1815 53.8712 29.3272 173.5633 55 P 5.0213 0.0000 0.0000 63.0678 31.8468 175.7621 *57 W 4.8023 7.8169 117.6361 57.8664 30.7006 174.2822 58 S 6.0231 8.4552 114.7092 58.9044 66.2468 173.0307 59 Y 5.5124 8.2853 117.7136 55.6702 41.8514 173.3655 60 Q 5.0030 8.9630 121.1660 54.5497 32.0007 173.8720 61 L 5.3373 9.2027 125.0336 52.8888 44.9326 175.1160 62 A 5.3786 9.0012 125.8663 50.1875 21.7783 175.0841 63 F 5.3693 8.4618 116.1178 56.1134 42.0419 173.9026 64 T 4.6826 8.9868 109.6744 60.5339 70.4471 175.3913 65 Q 4.2912 8.8544 122.7647 59.8031 28.6158 178.5781 66 E 4.2050 7.9565 116.9620 58.4852 29.8310 178.1438 67 Q 4.4730 8.2454 116.9899 56.1449 29.2613 177.2617 68 F 3.9534 8.0599 122.2672 61.3461 39.4229 176.8063 69 A 3.9722 8.1416 119.5667 55.2278 18.3165 179.1308 70 D 4.3802 8.0351 116.8658 57.5737 41.0223 178.7185 71 L 3.2219 7.7378 120.7405 57.7258 41.8578 179.0840 72 V 3.2893 7.5419 118.8007 65.4889 31.3169 178.1502 73 G 3.6098 7.9291 105.5751 47.6158 0.0000 175.4636 74 W 4.1661 8.3072 131.0128 60.1870 30.9046 178.0723 75 L 3.9562 8.5375 119.4372 58.0714 40.7712 179.6378 76 T 3.8194 7.8113 115.0493 66.6479 68.4466 176.4430 77 L 4.1395 7.7126 119.7658 56.5856 41.1730 177.5299 78 N 4.6839 7.4015 113.3366 52.7516 39.8572 175.5119 79 H 4.2195 8.2683 114.9365 55.9051 29.9965 176.7063 80 G 3.5606 6.7080 109.2916 47.2859 0.0000 174.3455 81 A 4.5232 8.6112 127.8278 51.5379 19.0590 176.5491 82 L 4.4867 7.7065 118.7908 54.6751 42.3868 176.7027 83 D 5.0199 8.8107 123.8762 54.4192 42.5390 175.3237 84 I 4.8463 8.7762 122.4802 59.5034 40.9643 174.1019 85 F 4.2718 8.5611 129.9115 56.7221 40.6994 174.4112 86 L 5.0773 8.5113 125.7856 53.2231 45.6049 175.1669 87 H 5.2926 8.5409 116.5987 53.5987 32.0665 171.3209 88 P 3.5456 0.0000 0.0000 62.3070 32.6642 175.2249 89 N 4.9574 8.3781 118.6976 51.9778 40.2186 175.3680 90 T 4.4697 8.8945 113.2614 60.2980 69.5350 175.2179 91 G 3.8890 9.1045 110.1367 45.4959 0.0000 173.6951 92 D 4.5023 7.5578 118.6408 50.9520 42.1443 175.2606 93 A 4.0019 8.5139 127.2599 54.6744 18.6027 178.6857 94 L 3.8585 7.8175 118.2223 58.2857 42.2566 178.8730 95 R 3.8690 8.0892 118.4053 59.6477 30.1450 178.0790 96 D 4.3259 8.4050 118.9503 57.7859 40.5669 178.6823 97 H 4.3539 8.1317 115.5537 58.7610 28.8643 177.5969 98 R 4.1090 8.4278 119.9402 58.9070 30.1047 176.7891 99 D 4.8411 8.5549 115.8593 54.1833 42.6049 176.6224 100 A 4.7234 7.7516 120.8335 51.4277 19.5363 175.6839 101 A 4.5583 8.2655 121.0811 53.6450 19.3331 178.2526 102 V 4.6266 8.7177 121.3910 60.8548 35.3939 174.3629 103 W 5.4589 8.7543 125.1023 55.1062 32.7620 174.5928 104 I 4.0835 8.9287 126.6461 62.0539 37.9833 175.2209 105 G 4.1078 9.3733 115.6021 44.5171 0.0000 175.6523 106 H 4.9439 7.9799 116.9833 53.3212 31.2440 173.9842 107 S 2.7900 8.0091 116.7125 57.5160 63.7972 173.2060 108 H 4.5607 5.2900 117.8870 53.5584 31.8118 173.4394 109 E 4.1225 8.4618 122.1713 55.9689 29.5539 177.2260 110 L 4.2988 8.3110 124.0727 54.4676 43.1270 177.9478 111 V 3.9962 8.4203 122.3457 61.7699 29.9711 176.8956 112 L 4.0735 7.7125 123.8020 57.1990 42.2737 179.8988 113 S 4.1494 8.0273 111.9093 60.5908 62.9531 175.1591 114 A 4.0849 7.7630 123.2069 53.8138 18.3323 177.4579 115 L 4.3435 7.5613 115.5828 53.7754 43.1960 176.3803 116 N 4.4369 8.6385 117.6462 54.3190 39.8995 173.8525 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 0 G 8.35 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 0.00 0.00 0.00 *2 T 8.36 4.17 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 1.25 0.00 0.00 3 F 9.02 4.18 0.00 2.97 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 4 R 8.28 4.75 0.00 1.73 1.79 0.00 3.15 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 5 D 8.24 4.82 0.00 2.71 2.58 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 6 T 8.32 3.96 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 7 S 8.07 4.07 0.00 3.98 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 8 A 8.19 3.96 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 9 I 7.47 3.96 1.80 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 0.84 0.43 0.28 0.00 0.00 10 A 8.60 4.26 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 7.00 4.48 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 12 W 8.49 4.92 0.00 1.78 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 13 H 8.57 5.44 0.00 2.70 2.95 0.00 5.57 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 A 9.18 5.13 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 15 H 9.09 5.19 0.00 3.06 3.37 0.00 5.61 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.38 4.03 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 0.00 0.00 1.03 0.00 0.00 0.75 0.00 0.00 17 Y 9.02 5.54 0.00 3.23 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 F 8.47 4.98 0.00 3.10 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 19 D 8.82 3.37 0.00 2.10 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 0.00 0.00 0.00 20 A 7.28 3.87 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 7.77 4.17 0.00 3.94 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 22 S 8.02 4.79 0.00 4.15 4.14 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 0.00 0.00 0.00 23 R 8.11 4.19 0.00 2.53 2.25 0.00 3.45 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.42 0.00 24 D 8.30 4.48 0.00 2.81 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.15 4.08 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.44 4.10 1.11 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 27 W 8.53 3.72 0.00 3.23 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.17 3.85 4.43 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 1.25 0.00 0.00 29 L 8.05 4.05 0.00 1.85 1.97 0.98 0.93 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 30 R 8.13 3.72 0.00 1.29 1.31 0.00 2.47 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.74 0.00 31 E 7.74 4.13 0.00 2.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 2.10 0.00 32 Q 8.06 4.10 0.00 2.44 2.51 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 2.44 2.65 0.00 33 I 8.26 3.90 2.06 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.08 0.84 0.00 0.00 34 E 8.36 3.92 0.00 2.11 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 2.23 2.34 0.00 35 A 7.93 3.94 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 36 H 8.37 4.18 0.00 3.13 2.82 0.00 5.89 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 W 8.01 4.70 0.00 3.40 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 S 8.07 4.27 0.00 3.96 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 39 G 8.98 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 0.00 0.00 0.00 40 K 8.01 4.54 0.00 2.19 2.11 0.00 1.57 0.00 0.00 1.91 0.00 0.00 2.80 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.36 7.81 41 L 7.52 4.69 0.00 1.79 1.59 0.91 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 8.99 4.61 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 43 L 8.60 4.97 0.00 1.63 1.55 0.98 0.95 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 44 G 8.87 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 0.00 0.00 0.00 0.00 45 R 8.47 4.35 0.00 1.65 1.88 0.00 3.30 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 46 F 8.91 4.78 0.00 3.18 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 47 H 9.33 4.65 0.00 3.24 3.15 0.00 5.66 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.27 3.81 0.00 1.50 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 2.39 2.36 0.00 49 R 6.70 3.93 0.00 1.69 1.53 0.00 2.98 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.52 0.00 50 P 0.00 4.33 0.00 2.05 2.16 0.00 3.62 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.19 0.00 51 V 7.59 4.47 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 0.63 0.00 0.00 0.81 0.00 0.00 52 G 8.24 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 53 P 0.00 4.64 0.00 2.12 2.15 0.00 3.53 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 1.70 1.85 0.00 54 H 8.41 5.02 0.00 3.24 3.05 0.00 5.62 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 5.02 0.00 2.13 2.10 0.00 3.74 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.24 0.00 *57 W 7.82 4.80 0.00 1.94 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 0.00 0.00 0.00 58 S 8.46 6.02 0.00 4.10 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 59 Y 8.29 5.51 0.00 3.24 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 60 Q 8.96 5.00 0.00 2.23 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.89 0.00 0.00 0.00 0.00 0.00 2.24 2.08 0.00 61 L 9.20 5.34 0.00 1.65 1.54 0.77 1.04 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 62 A 9.00 5.38 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 8.46 5.37 0.00 3.26 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 64 T 8.99 4.68 4.52 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 1.28 0.00 0.00 65 Q 8.85 4.29 0.00 2.31 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.95 0.00 0.00 0.00 0.00 0.00 2.49 2.61 0.00 66 E 7.96 4.21 0.00 2.09 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 2.40 2.45 0.00 67 Q 8.25 4.47 0.00 2.44 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.76 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 68 F 8.06 3.95 0.00 3.05 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 69 A 8.14 3.97 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 D 8.04 4.38 0.00 2.87 3.03 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 71 L 7.74 3.22 0.00 0.52 0.83 -0.78 -0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 72 V 7.54 3.29 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 -0.31 0.00 0.00 73 G 7.93 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 W 8.31 4.17 0.00 3.70 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 75 L 8.54 3.96 0.00 1.70 1.62 0.65 0.76 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 76 T 7.81 3.82 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 1.18 0.00 0.00 77 L 7.71 4.14 0.00 1.59 1.59 0.91 0.96 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 78 N 7.40 4.68 0.00 1.63 2.04 0.00 0.00 6.65 9.19 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 79 H 8.27 4.22 0.00 3.40 3.66 0.00 5.60 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 G 6.71 3.56 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 0.00 0.00 0.00 81 A 8.61 4.52 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 82 L 7.71 4.49 0.00 1.90 1.76 1.06 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 83 D 8.81 5.02 0.00 2.88 2.97 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 84 I 8.78 4.85 1.80 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 1.10 1.03 0.85 0.00 0.00 85 F 8.56 4.27 0.00 1.85 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 0.00 0.00 0.00 0.00 86 L 8.51 5.08 0.00 1.53 1.58 0.82 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 87 H 8.54 5.29 0.00 3.02 2.98 0.00 5.45 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 P 0.00 3.55 0.00 1.35 0.49 0.00 3.58 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 89 N 8.38 4.96 0.00 2.46 2.59 0.00 0.00 6.93 7.25 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 90 T 8.89 4.47 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 1.05 0.00 0.00 91 G 9.10 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 92 D 7.56 4.50 0.00 2.58 2.45 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 93 A 8.51 4.00 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 94 L 7.82 3.86 0.00 1.75 1.66 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 95 R 8.09 3.87 0.00 2.12 2.02 0.00 3.12 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.78 0.00 96 D 8.40 4.33 0.00 2.78 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 97 H 8.13 4.35 0.00 3.10 3.41 0.00 5.85 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 R 8.43 4.11 0.00 1.83 2.04 0.00 3.23 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 99 D 8.55 4.84 0.00 2.78 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 A 7.75 4.72 1.20 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 0.00 0.00 101 A 8.27 4.56 1.56 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 0.00 0.00 102 V 8.72 4.63 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 1.04 0.00 0.00 1.18 0.00 0.00 103 W 8.75 5.46 0.00 3.21 3.13 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 0.00 104 I 8.93 4.08 1.74 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.55 0.57 0.00 0.00 105 G 9.37 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 0.00 106 H 7.98 4.94 0.00 3.19 3.08 0.00 5.85 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 S 8.01 2.79 0.00 2.80 3.03 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 0.00 108 H 5.29 4.56 0.00 3.09 3.20 0.00 5.70 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.46 4.12 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 2.23 2.23 0.00 110 L 8.31 4.30 0.00 1.65 1.67 0.67 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 111 V 8.42 4.00 2.11 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 0.94 0.00 0.00 0.90 0.00 0.00 112 L 7.71 4.07 0.00 1.74 1.70 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.03 4.15 0.00 3.96 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 0.00 114 A 7.76 4.08 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 0.00 115 L 7.56 4.34 0.00 1.70 1.54 0.72 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 116 N 8.64 4.44 0.00 2.75 2.70 0.00 0.00 6.86 7.56 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 * Residues marked with a * may have inaccurate shift predictions.