NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4658 0.0000 0.0000 62.7507 32.7918 176.1412 2 S 4.5107 8.7391 116.1522 56.0721 66.3794 170.2796 3 V 3.5699 8.2803 120.4507 66.1431 31.5634 178.2457 4 Y 3.9994 8.0062 118.9412 60.7507 38.3827 177.5924 5 D 4.2462 8.2499 119.6144 57.3982 40.7100 178.6974 6 A 4.0262 7.6717 119.8667 54.6935 18.7624 179.1644 7 A 3.9494 8.1343 119.7155 54.7309 18.4657 179.0703 8 A 4.0111 8.0079 117.5630 53.3656 18.7768 178.7637 9 Q 4.2566 7.2856 113.7756 56.1832 29.1801 175.9922 10 L 3.8877 6.8649 120.5927 54.9607 41.6713 177.7297 11 T 4.2321 8.2104 114.7081 60.6702 71.2898 175.2053 12 A 3.9394 8.3870 122.6964 55.4828 18.2405 179.6821 13 D 4.2581 7.9503 116.8492 57.4459 40.9081 178.9681 14 V 3.4952 7.6748 118.7027 65.9266 31.4554 178.2480 15 K 3.8555 8.2747 118.5576 59.1093 31.7537 179.2370 16 K 3.9500 8.2071 119.9857 59.7877 32.2927 178.6845 17 D 4.6347 8.3250 119.2306 57.2547 40.5754 178.8525 18 L 3.8439 8.2052 119.8997 57.8035 41.6301 179.7490 19 R 4.0769 8.3661 118.3559 59.4539 29.0341 178.8690 20 D 4.5068 8.5437 119.1553 57.4848 40.7811 179.0863 21 S 2.8816 8.1326 114.5316 60.6524 62.9926 176.3328 22 W 4.5015 8.8883 132.2142 60.1615 30.2156 177.9586 23 K 3.8206 8.1121 118.0428 58.9971 31.8353 178.7068 24 V 3.9168 7.1343 114.8466 64.9639 31.7428 177.8899 25 W 4.1676 8.1879 127.6312 59.9944 30.6297 176.8153 26 G 2.0000 6.9240 105.0375 44.5577 0.0000 174.6846 27 S 3.9463 7.1522 114.9532 60.0352 63.0277 173.9649 28 D 4.6773 7.2375 120.8147 51.4461 40.9228 175.8075 29 K 3.6504 7.9642 123.8206 58.7079 33.0365 179.5094 30 K 3.9685 8.1352 119.2052 59.4120 32.3160 178.9195 31 G 3.6219 8.0414 106.6480 47.5527 0.0000 175.1989 32 N 4.6422 8.3216 119.4247 55.1201 38.5710 178.0773 33 G 3.4372 8.0903 107.7178 47.7950 0.0000 176.0937 34 V 3.6287 7.7333 120.8017 65.4110 31.4228 177.9784 35 A 4.1665 7.9057 121.7782 54.3505 18.2374 179.2421 36 L 3.8615 8.1197 118.9422 58.7095 42.1999 179.1974 37 M 3.5958 7.9635 118.6943 58.3992 31.7219 178.8456 38 T 3.9600 8.1432 110.2744 65.2434 68.8808 176.6728 39 T 3.8430 8.0708 118.7032 66.0025 68.3618 176.4649 40 L 3.7883 7.5483 122.2797 58.2626 41.9008 179.1565 41 F 4.6242 7.4985 115.5380 59.9217 38.8363 177.2127 42 A 4.2272 7.7002 120.0407 54.5773 18.5052 178.5307 43 D 4.6903 7.9334 115.0378 54.5020 43.0996 176.6305 44 N 5.3244 8.2769 115.9178 49.9974 39.2064 175.3366 45 Q 4.2477 8.0296 119.1748 58.6807 28.8147 178.2059 46 E 4.2054 8.2911 117.7938 58.1946 29.7177 177.8543 47 T 4.5159 8.1973 110.4340 62.4349 69.4546 176.4560 48 I 3.6208 7.7477 123.7449 64.7212 37.0262 177.8759 49 G 3.7122 8.1414 105.7409 48.4234 0.0000 174.9201 50 Y 4.3865 7.3991 117.7264 60.1021 37.9690 177.1476 51 F 4.8201 8.3794 118.1906 56.9552 39.5044 177.8272 52 K 3.9102 7.8617 124.0148 59.8737 32.2886 179.0320 53 R 3.9429 8.0168 118.8027 59.1150 30.0790 177.0492 54 L 4.2611 8.0465 115.9784 55.3734 42.7814 178.3730 55 G 3.8652 7.6828 105.9782 45.4814 0.0000 175.8013 56 D 4.4979 8.4484 125.6867 53.0308 40.0799 177.0386 57 V 3.8737 8.0437 119.2850 62.5257 31.5500 177.2811 58 S 4.5432 8.3689 114.4836 58.6450 63.3380 174.9144 59 Q 4.2036 8.1614 120.2494 55.9726 30.0822 177.2131 60 G 3.9083 7.8613 107.9695 46.3176 0.0000 176.1743 61 M 3.9713 8.9468 120.7960 58.3592 32.2410 177.2697 62 A 3.9844 7.6150 120.9085 54.7899 18.8044 177.3276 63 N 4.4990 8.1499 115.1087 53.3345 39.3069 175.2124 64 D 4.3785 8.6356 129.8184 56.5133 39.5645 178.5065 65 K 4.1309 8.1327 119.4783 59.0576 32.0625 178.9493 66 L 4.0349 8.4002 120.8178 58.0025 42.0045 179.0124 67 R 4.0063 8.2823 119.0327 59.3054 30.1863 178.7226 68 G 3.6491 8.6468 105.9567 48.0217 0.0000 175.0971 69 H 4.2048 8.5067 120.9896 59.1603 30.0336 177.5130 70 S 4.0702 8.4932 117.2818 61.6420 62.4319 176.8245 71 I 3.6898 7.6809 121.2938 64.8109 37.1575 178.3892 72 T 4.2002 7.9022 116.1820 66.4713 68.2359 176.5207 73 L 3.8322 8.0477 122.4882 58.3941 42.0877 179.0126 74 M 4.0291 7.9091 118.3171 58.2632 31.7372 178.0874 75 Y 4.0162 7.7246 116.0207 60.0877 38.0568 177.8120 76 A 3.5563 7.5666 122.3425 54.8156 18.2189 179.6654 77 L 3.5524 7.2756 117.0154 57.4970 41.6073 179.2478 78 Q 3.6845 7.8120 119.6439 58.9874 28.7823 177.7066 79 N 4.2900 7.9225 116.8651 56.8601 39.3150 176.1794 80 F 4.6473 7.8525 118.9170 61.0348 38.9416 177.7482 81 I 3.5447 7.7951 119.2772 64.5907 36.6801 178.1625 82 D 4.4960 8.2265 117.8474 56.2213 40.9755 177.6020 83 Q 4.5019 7.7813 117.4921 55.4664 28.9899 176.9367 84 L 3.9165 7.3755 121.5546 58.0724 41.8604 178.1113 85 D 4.4750 7.9742 114.9968 55.4198 41.2983 176.5269 86 N 4.8433 8.0552 117.9724 50.1299 39.5967 171.9431 87 P 4.1620 0.0000 0.0000 65.4879 31.5203 177.6940 88 D 4.4686 8.2872 117.0190 57.6239 40.7063 178.4508 89 D 4.3963 8.3272 119.1598 57.1013 40.7588 178.5605 90 L 3.9810 8.2000 121.1385 58.1324 42.0349 179.1496 91 V 3.5791 8.1749 118.8081 66.2245 31.3755 177.8160 92 C 4.1844 8.0188 113.6999 61.2572 29.4378 176.1253 93 V 3.7557 7.7457 114.8631 63.7437 31.2113 178.6615 94 V 3.9377 8.1792 118.4230 66.1517 31.3526 177.9800 95 E 3.9491 8.6207 118.7954 59.0297 28.8516 179.2278 96 K 3.7959 7.7203 119.5517 59.7154 31.8053 179.0349 97 F 4.7168 8.4360 118.8600 59.6588 38.7108 177.6401 98 A 3.9945 8.3320 121.1885 55.1451 18.1698 179.7351 99 V 3.5527 7.8644 116.7715 66.2883 31.0458 177.8957 100 N 4.3600 7.9657 115.7278 56.3542 38.3313 176.5089 101 H 4.5370 7.9294 115.9146 57.4998 29.4338 177.6519 102 I 3.7558 8.1578 122.6737 64.4073 36.7459 178.1872 103 T 4.1049 7.8883 108.8657 63.4567 68.5953 175.6743 104 R 4.4361 7.4233 119.2517 54.7961 30.9889 175.4371 105 K 3.7498 7.8440 116.5520 57.5046 30.0471 175.8716 106 I 4.1965 7.6420 120.4340 59.8501 37.4836 177.1170 107 S 4.4694 8.8821 121.3868 57.4581 65.1899 174.9526 108 A 3.9894 8.5129 123.2321 55.3220 17.8334 179.7393 109 A 4.0151 7.9331 117.6879 55.3775 18.8501 179.2551 110 E 4.1471 8.3070 117.1780 59.5788 29.5944 179.3168 111 F 4.1655 8.7846 121.2275 61.1730 39.4729 177.0332 112 G 3.9035 8.3617 104.3611 46.5254 0.0000 175.3192 113 K 4.1771 8.1522 120.8907 58.6957 32.0384 178.5300 114 I 3.8209 7.6357 118.9137 63.1990 37.7932 177.3648 115 N 4.4657 8.2245 117.9765 56.2182 38.3728 177.2881 116 G 3.5818 7.6676 106.0366 47.5069 0.0000 173.9433 117 P 4.2005 0.0000 0.0000 65.0155 31.2724 178.7868 118 I 3.2482 7.7471 118.6172 64.0462 36.9782 178.3049 119 K 3.7877 8.0772 120.5296 59.3816 31.9930 179.0617 120 K 3.8920 7.8364 118.4847 59.4098 31.5707 179.5248 121 V 3.4671 7.7355 118.7119 65.9109 31.3353 178.0122 122 L 3.5115 7.6360 118.6455 57.6848 41.3345 179.3827 123 A 4.1011 7.9703 120.9044 55.0481 18.0709 179.6682 124 S 4.1367 7.9483 111.6055 60.3290 62.9995 175.2764 125 K 4.3600 6.9790 120.3030 55.8524 32.1353 175.9227 126 N 4.0660 8.1490 114.3470 54.0638 36.3140 174.2767 127 F 4.3320 8.0785 118.1993 56.0945 39.1927 177.0996 128 G 4.0239 8.5482 115.5169 44.2145 0.0000 171.4980 129 D 4.4666 8.9122 118.7346 57.6456 40.7432 178.6885 130 K 3.8064 8.1034 119.2900 59.9338 32.1204 178.2903 131 Y 4.1438 7.9681 116.1188 60.8426 37.9349 177.8580 132 A 4.1201 8.1154 121.6918 55.3564 18.6083 179.4280 133 N 4.3225 8.7043 115.1920 56.2876 38.4790 177.5067 134 A 3.9206 7.9840 122.1592 55.1314 18.4494 179.8365 135 W 3.8974 8.5291 117.1706 59.6406 29.0736 178.6550 136 A 4.5927 8.1488 122.3414 54.6349 17.5510 179.8419 137 K 3.9431 7.7006 116.1557 59.3735 32.3688 179.0828 138 L 3.9305 7.6065 120.5394 58.0582 42.0401 179.1252 139 V 3.8248 8.2971 118.3311 66.0217 31.4536 177.8426 140 A 4.6522 8.0685 121.7461 54.2905 17.8991 179.7701 141 V 3.4611 7.3769 116.6558 66.0425 31.7558 178.1131 142 V 3.5449 7.5064 117.6214 65.8990 31.5472 177.8817 143 Q 3.8493 8.0553 117.5989 58.7287 28.2842 178.5385 144 A 4.0723 7.8737 120.5599 53.9576 18.4439 178.3245 145 A 4.4555 7.7135 117.3260 51.9155 19.6350 176.9253 146 L 4.2112 7.5836 123.0895 54.7103 41.9922 176.3254 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 P 0.00 4.47 0.00 2.18 2.12 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.95 0.00 2 S 8.74 4.51 0.00 4.10 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 3 V 8.28 3.57 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 1.11 0.00 0.00 0.95 0.00 0.00 4 Y 8.01 4.00 0.00 3.10 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 5 D 8.25 4.25 0.00 2.99 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 6 A 7.67 4.03 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 7 A 8.13 3.95 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 0.00 0.00 0.00 0.00 0.00 8 A 8.01 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 7.29 4.26 0.00 2.18 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.84 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 10 L 6.86 3.89 0.00 1.60 1.57 0.76 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.21 4.23 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 1.19 0.00 0.00 12 A 8.39 3.94 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 13 D 7.95 4.26 0.00 2.66 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 14 V 7.67 3.50 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 0.99 0.00 0.00 0.86 0.00 0.00 15 K 8.27 3.86 0.00 1.94 1.80 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.37 1.55 7.81 16 K 8.21 3.95 0.00 1.96 2.01 0.00 1.59 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.48 1.60 7.81 17 D 8.32 4.63 0.00 2.79 2.63 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 0.00 0.00 0.00 18 L 8.21 3.84 0.00 1.64 1.29 0.55 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.37 4.08 0.00 2.08 2.07 0.00 3.23 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 1.71 1.78 0.00 20 D 8.54 4.51 0.00 2.93 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 21 S 8.13 2.88 0.00 3.43 3.26 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 22 W 8.89 4.50 0.00 3.91 3.43 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 23 K 8.11 3.82 0.00 2.02 1.90 0.00 1.82 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.82 7.81 24 V 7.13 3.92 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 1.14 0.00 0.00 25 W 8.19 4.17 0.00 3.01 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 26 G 6.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 7.15 3.95 0.00 3.90 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 28 D 7.24 4.68 0.00 2.63 2.43 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 29 K 7.96 3.65 0.00 1.64 1.57 0.00 0.80 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.06 1.14 7.81 30 K 8.14 3.97 0.00 1.80 1.76 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.50 7.81 31 G 8.04 3.62 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 0.00 0.00 0.00 32 N 8.32 4.64 0.00 2.62 2.95 0.00 0.00 6.99 7.10 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 33 G 8.09 3.44 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 0.00 34 V 7.73 3.63 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 1.10 0.00 0.00 0.97 0.00 0.00 35 A 7.91 4.17 1.40 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 0.00 0.00 0.00 36 L 8.12 3.86 0.00 1.99 1.91 0.83 0.92 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 37 M 7.96 3.60 0.00 1.84 2.02 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.79 0.00 38 T 8.14 3.96 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 1.33 0.00 0.00 39 T 8.07 3.84 4.30 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 1.19 0.00 0.00 40 L 7.55 3.79 0.00 1.46 1.16 0.85 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 41 F 7.50 4.62 0.00 3.05 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 42 A 7.70 4.23 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 43 D 7.93 4.69 0.00 2.68 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 44 N 8.28 5.32 0.00 2.98 2.92 0.00 0.00 7.19 7.43 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 45 Q 8.03 4.25 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.94 0.00 0.00 0.00 0.00 0.00 2.48 2.79 0.00 46 E 8.29 4.21 0.00 2.16 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 2.44 2.36 0.00 47 T 8.20 4.52 4.81 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 1.45 0.00 0.00 48 I 7.75 3.62 1.89 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 1.04 0.65 0.72 0.00 0.00 49 G 8.14 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 50 Y 7.40 4.39 0.00 2.88 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 51 F 8.38 4.82 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 52 K 7.86 3.91 0.00 1.88 2.20 0.00 1.32 0.00 0.00 1.58 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.41 7.81 53 R 8.02 3.94 0.00 1.82 2.05 0.00 3.26 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 54 L 8.05 4.26 0.00 1.81 1.76 1.04 0.99 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 55 G 7.68 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 56 D 8.45 4.50 0.00 2.67 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 57 V 8.04 3.87 1.76 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 0.53 0.00 0.00 0.19 0.00 0.00 58 S 8.37 4.54 0.00 3.95 3.94 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 59 Q 8.16 4.20 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.81 0.00 0.00 0.00 0.00 0.00 2.58 2.44 0.00 60 G 7.86 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 0.00 0.00 0.00 61 M 8.95 3.97 0.00 1.97 2.13 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.61 0.00 62 A 7.62 3.98 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 63 N 8.15 4.50 0.00 2.82 2.90 0.00 0.00 6.91 8.33 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 64 D 8.64 4.38 0.00 2.93 2.93 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 65 K 8.13 4.13 0.00 2.14 1.95 0.00 1.69 0.00 0.00 1.93 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.57 1.52 7.81 66 L 8.40 4.03 0.00 1.82 1.87 1.04 0.76 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 67 R 8.28 4.01 0.00 2.11 2.06 0.00 3.16 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 1.64 1.66 0.00 68 G 8.65 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 69 H 8.51 4.20 0.00 3.38 3.66 0.00 5.79 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 70 S 8.49 4.07 0.00 3.90 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 71 I 7.68 3.69 1.94 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 1.53 0.61 1.14 0.00 0.00 72 T 7.90 4.20 4.41 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 1.29 0.00 0.00 73 L 8.05 3.83 0.00 1.64 1.73 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 74 M 7.91 4.03 0.00 1.86 2.01 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.71 0.00 75 Y 7.72 4.02 0.00 3.17 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 76 A 7.57 3.56 0.23 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 77 L 7.28 3.55 0.00 1.31 1.02 0.76 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 7.81 3.68 0.00 2.42 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.78 0.00 0.00 0.00 0.00 0.00 2.57 2.68 0.00 79 N 7.92 4.29 0.00 2.97 2.96 0.00 0.00 7.29 6.81 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 80 F 7.85 4.65 0.00 3.10 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 81 I 7.80 3.54 1.69 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 -0.12 0.90 0.00 0.00 82 D 8.23 4.50 0.00 2.83 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 83 Q 7.78 4.50 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.72 0.00 0.00 0.00 0.00 0.00 2.68 2.62 0.00 84 L 7.38 3.92 0.00 1.53 1.69 0.83 0.85 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 85 D 7.97 4.47 0.00 2.67 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 86 N 8.06 4.84 0.00 2.73 2.67 0.00 0.00 7.05 7.00 0.00 0.00 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 P 0.00 4.16 0.00 2.27 1.76 0.00 3.68 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 2.01 2.07 0.00 88 D 8.29 4.47 0.00 2.93 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 89 D 8.33 4.40 0.00 2.89 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 90 L 8.20 3.98 0.00 1.90 1.75 0.83 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 91 V 8.17 3.58 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 1.16 0.00 0.00 1.06 0.00 0.00 92 C 8.02 4.18 0.00 3.18 3.19 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 93 V 7.75 3.76 2.34 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 0.95 0.00 0.00 1.34 0.00 0.00 94 V 8.18 3.94 2.24 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 1.05 0.00 0.00 0.55 0.00 0.00 95 E 8.62 3.95 0.00 2.17 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 2.32 2.58 0.00 96 K 7.72 3.80 0.00 1.73 1.64 0.00 0.61 0.00 0.00 1.11 0.00 0.00 2.69 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.24 1.38 7.81 97 F 8.44 4.72 0.00 3.40 3.24 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 98 A 8.33 3.99 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 V 7.86 3.55 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 1.02 0.00 0.00 1.00 0.00 0.00 100 N 7.97 4.36 0.00 3.23 2.89 0.00 0.00 6.96 7.82 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 0.00 101 H 7.93 4.54 0.00 3.42 3.45 0.00 5.82 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 8.16 3.76 1.87 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 1.57 1.02 0.91 0.00 0.00 103 T 7.89 4.10 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 1.28 0.00 0.00 104 R 7.42 4.44 0.00 1.75 1.76 0.00 3.38 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.68 0.00 105 K 7.84 3.75 0.00 1.92 1.91 0.00 1.88 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.56 7.81 106 I 7.64 4.20 2.02 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.71 1.01 0.00 0.00 107 S 8.88 4.47 0.00 4.10 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 0.00 108 A 8.51 3.99 1.35 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 0.00 0.00 0.00 109 A 7.93 4.02 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 0.00 110 E 8.31 4.15 0.00 2.26 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 0.00 2.45 2.40 0.00 111 F 8.78 4.17 0.00 3.16 3.21 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 0.00 112 G 8.36 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 0.00 113 K 8.15 4.18 0.00 1.97 1.90 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.76 7.81 114 I 7.64 3.82 1.64 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.15 0.81 0.00 0.00 115 N 8.22 4.47 0.00 2.93 2.87 0.00 0.00 6.70 7.77 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 0.00 116 G 7.67 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 0.00 0.00 0.00 117 P 0.00 4.20 0.00 2.17 2.00 0.00 3.67 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 118 I 7.75 3.25 1.86 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.77 0.33 0.00 0.00 119 K 8.08 3.79 0.00 1.87 1.94 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.48 7.81 120 K 7.84 3.89 0.00 1.93 1.77 0.00 1.68 0.00 0.00 1.53 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.55 7.81 121 V 7.74 3.47 1.60 0.00 0.00 0.00 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 0.92 0.00 0.00 122 L 7.64 3.51 0.00 1.71 1.78 0.69 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 123 A 7.97 4.10 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 0.00 124 S 7.95 4.14 0.00 4.01 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 0.00 125 K 6.98 4.36 0.00 1.94 1.96 0.00 1.88 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.40 1.62 7.81 126 N 8.15 4.07 0.00 2.58 2.73 0.00 0.00 6.84 7.79 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 0.00 127 F 8.08 4.33 0.00 3.07 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 0.00 128 G 8.55 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 0.00 0.00 0.00 129 D 8.91 4.47 0.00 2.72 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 0.00 130 K 8.10 3.81 0.00 1.70 1.51 0.00 1.57 0.00 0.00 1.47 0.00 0.00 2.86 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.10 1.37 7.81 131 Y 7.97 4.14 0.00 3.39 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 0.00 132 A 8.12 4.12 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 0.00 133 N 8.70 4.32 0.00 2.93 2.87 0.00 0.00 6.93 7.67 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 0.00 134 A 7.98 3.92 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 0.00 135 W 8.53 3.90 0.00 3.59 3.39 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 0.00 136 A 8.15 4.59 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 0.00 137 K 7.70 3.94 0.00 1.90 1.81 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.62 7.81 138 L 7.61 3.93 0.00 1.42 1.69 0.60 1.00 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 0.00 139 V 8.30 3.82 2.37 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 1.21 0.00 0.00 1.24 0.00 0.00 140 A 8.07 4.65 1.39 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 0.00 0.00 0.00 141 V 7.38 3.46 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 0.82 0.00 0.00 142 V 7.51 3.54 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 0.29 0.00 0.00 0.85 0.00 0.00 143 Q 8.06 3.85 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.62 2.69 0.00 144 A 7.87 4.07 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 0.00 145 A 7.71 4.46 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 0.00 146 L 7.58 4.21 0.00 1.57 1.52 0.55 0.60 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