NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7536 8.1633 120.6175 55.5453 34.3845 173.8594 2 R 4.9082 8.6573 122.1778 53.5892 34.3671 169.2556 3 V 4.9471 9.2900 123.2588 60.9893 35.9565 173.6463 4 L 5.0686 8.8522 129.1407 53.4706 44.5495 175.0541 5 L 5.0071 9.0396 128.5629 53.6539 43.3425 176.1606 6 I 4.8501 8.8235 126.7255 59.6986 39.6029 175.0874 7 H 5.0047 9.4818 129.7106 55.8881 30.1383 174.3981 8 S 5.0605 8.9467 122.4767 56.8157 65.7284 175.3700 9 D 4.5536 9.2580 122.1523 57.6798 41.8502 176.1379 10 Y 5.1461 6.9238 113.4015 56.3288 41.3393 173.2850 11 I 5.0582 8.9029 120.6430 59.4652 41.4346 173.4616 12 E 5.4676 10.0266 130.1419 54.7502 33.4191 173.7197 13 Y 5.6731 8.7680 122.5458 55.9570 42.5556 173.6288 14 E 4.9454 9.7114 121.6054 54.7646 33.2405 174.4714 15 V 4.0027 9.2398 128.5452 64.3262 32.2371 173.0633 16 K 4.4432 9.5139 125.7670 56.7672 33.0481 178.3912 17 D 5.3300 9.6096 128.3219 53.1325 45.7105 176.1464 18 K 3.9520 8.9623 123.4232 55.9966 31.9289 177.5061 19 A 4.3062 8.2112 125.2637 50.6571 19.5577 176.5217 20 L 4.5887 7.1632 114.5839 52.9066 45.8956 176.2537 21 K 4.0583 8.7458 122.7821 58.9568 32.4038 176.8424 22 N 4.9049 7.6773 115.6788 50.4966 38.6256 171.5959 23 P 4.6997 0.0000 0.0000 60.9612 33.6808 175.9173 24 E 4.0783 8.5538 122.1818 56.1530 29.9860 174.9662 25 P 4.6144 0.0000 0.0000 63.1329 31.6775 175.7136 26 I 4.6256 8.4612 116.7351 58.8524 40.9938 174.3093 27 S 4.7179 8.0648 115.2461 55.9752 65.2750 174.3558 28 E 3.9217 8.8212 120.9241 59.6681 29.5103 178.0219 29 D 4.4941 8.2439 117.9916 57.7382 40.9642 178.2502 30 M 4.4008 7.6579 115.9562 57.4184 32.3404 177.7912 31 K 4.3062 7.8692 118.0940 58.6946 33.1047 177.1994 32 R 4.5858 7.7078 113.6733 54.4236 32.8812 175.1423 33 G 4.1268 7.3515 105.8329 45.1272 0.0000 171.9524 34 R 5.2108 8.5037 123.0812 54.6114 33.2783 173.8739 35 M 4.9987 9.0626 124.6291 54.1820 36.1017 173.3211 36 E 5.0802 8.7011 123.2773 54.2203 33.4296 175.0697 37 E 3.8965 8.9193 120.9863 57.5434 28.4604 174.1449 38 V 4.8225 7.7611 118.5709 59.9367 36.2538 176.4724 39 L 4.8439 8.7080 124.8025 53.6914 43.2029 175.3914 40 V 4.2547 9.0811 128.3453 62.3710 32.8890 174.6268 41 A 4.9233 9.4447 131.6321 50.3515 20.6121 175.6193 42 F 4.8469 8.9070 121.9419 57.8409 40.0670 175.1238 43 I 4.9741 8.8350 125.7325 59.6244 39.7923 175.2418 44 S 4.7500 8.9289 123.4238 56.6870 64.8517 173.4555 45 V 4.1396 8.3799 126.0744 62.5645 32.5981 175.2726 46 E 5.0149 10.4080 128.1617 54.2628 31.9370 176.8049 47 K 3.7854 8.9272 122.6342 59.8510 32.5917 179.1215 48 V 3.6445 7.9659 117.6535 66.0572 30.8908 177.4889 49 D 4.5184 8.2902 119.4478 56.8043 41.0478 178.1430 50 E 3.9504 8.1341 118.6438 59.3762 28.9517 178.1745 51 K 3.2991 6.5451 112.1738 59.1639 32.3507 176.4944 52 N 4.7454 7.6128 123.9851 51.6985 40.1419 173.8523 53 P 4.2463 0.0000 0.0000 65.4949 31.2299 178.2782 54 E 3.9973 8.1004 117.6334 58.7989 29.6426 178.3860 55 E 3.8970 8.4628 119.6966 59.1532 29.7111 178.6104 56 V 3.5660 7.3664 117.6716 66.4786 31.5277 178.0453 57 S 4.1193 7.8872 114.0783 61.5619 62.5337 176.9935 58 L 3.9625 7.6284 120.6919 57.8840 41.4927 179.6134 59 K 3.9420 7.9935 117.9926 59.2518 31.9272 179.2602 60 A 3.9369 8.3025 121.2746 55.2435 18.3607 179.3895 61 I 3.6158 8.0200 118.5921 64.6726 37.2272 178.0804 62 E 3.9425 8.3130 119.7449 59.5202 29.6090 178.7416 63 E 3.9689 8.6117 118.8411 59.5295 29.5127 179.5353 64 I 3.7116 7.9062 119.8467 64.2957 37.2384 178.6654 65 S 3.9092 8.1667 116.1064 61.4351 62.8480 176.6346 66 K 3.9649 8.2234 122.3584 59.6369 32.0716 179.0423 67 V 3.6184 7.7667 117.8354 65.7970 31.3074 177.9033 68 A 3.9734 7.9174 120.7844 54.9938 18.0002 179.5022 69 E 3.8291 8.2624 117.1203 59.5472 29.3148 179.4883 70 Q 4.0334 7.8421 116.9939 58.7224 28.9285 178.3777 71 V 4.0022 7.4597 109.5739 60.1802 32.2021 175.9608 72 K 3.8128 7.5979 117.0537 57.3108 29.8168 175.4598 73 A 4.5184 8.7052 122.0807 51.5509 20.0714 177.7855 74 E 4.7148 8.8782 121.0317 56.9721 32.3474 175.5625 75 N 5.5648 8.1679 116.9181 51.4749 41.1539 174.2685 76 V 4.7467 8.8495 123.3418 60.9173 35.0463 173.8419 77 F 5.0256 9.0499 129.3302 56.3716 42.2954 173.7191 78 V 4.3548 8.2277 127.2742 62.0543 33.0457 173.8732 79 Y 4.5085 9.0306 129.8951 54.8797 41.0258 172.8314 80 P 4.7807 0.0000 0.0000 62.8301 32.0484 176.0375 81 F 4.9824 9.1226 127.2407 55.9084 41.8809 175.2200 82 A 4.5327 7.8694 133.1216 52.3923 18.7628 176.4959 83 H 4.7603 7.2691 113.2965 56.0058 31.0035 174.5411 84 L 4.6900 8.0217 118.0325 54.2672 41.7999 176.1057 85 S 4.6062 7.4498 110.8227 57.7419 64.8545 174.7224 86 S 4.4569 8.6681 121.1657 59.6408 64.1486 174.7685 87 E 4.6466 7.6809 121.6264 54.9972 27.4566 175.6311 88 L 4.6270 7.6721 119.9824 54.7175 43.2239 178.0111 89 A 4.5840 8.5388 123.1530 50.2254 20.6386 177.4326 90 K 3.8846 8.4304 120.6529 56.2331 32.7826 176.3331 91 P 4.4551 0.0000 0.0000 65.6975 31.0052 178.9143 92 S 4.0990 7.9531 112.6936 60.9695 63.3604 176.5189 93 V 3.5546 7.6576 121.1288 65.3862 31.5354 177.6023 94 A 4.0020 8.2372 120.9110 55.5706 18.1329 179.3708 95 M 3.2585 7.3714 116.6106 58.1368 32.0816 178.0339 96 D 4.1429 7.5675 118.4659 57.4760 41.5546 178.1149 97 I 3.7080 7.6625 120.2698 64.5548 37.0295 178.4246 98 L 4.0450 7.7780 119.2333 57.8883 41.4156 179.2838 99 N 4.5493 7.8808 116.2712 56.0303 38.4615 177.8008 100 R 4.0395 7.9759 119.9098 58.9289 29.8899 179.2351 101 V 3.5526 7.6871 117.3811 66.1119 31.8348 176.9907 102 Y 4.1981 8.3551 119.6458 60.9704 38.5817 178.0444 103 Q 3.9066 8.7382 119.0434 59.0505 28.8373 179.2453 104 G 3.7645 8.3225 104.1286 46.3635 0.0000 174.3469 105 L 4.3948 7.6468 122.0025 56.8128 42.3228 178.3821 106 K 3.7868 7.7677 118.7165 58.8870 31.7909 178.6566 107 E 3.8859 8.1022 118.5993 59.4112 29.6443 178.6942 108 R 4.0308 7.3820 116.1617 57.3983 30.1975 177.6179 109 G 3.8914 8.0399 106.7263 44.6900 0.0000 174.0185 110 F 4.4074 7.4951 117.5422 57.4428 40.2185 174.6310 111 N 4.7072 9.0312 120.5315 52.8829 39.4831 173.8602 112 V 4.8429 8.4071 126.4941 61.2843 33.6877 174.8121 113 G 4.4943 9.0314 113.5496 44.4411 0.0000 171.6087 114 K 4.7450 8.1136 117.2686 54.9491 35.5810 174.9894 115 A 3.9707 7.7247 124.2086 49.0547 20.3449 174.8146 116 P 4.2739 0.0000 0.0000 63.5536 31.9563 175.6404 117 F 4.0789 9.8248 126.0944 58.6257 40.7320 176.0991 118 G 3.5803 8.3569 113.1075 45.3503 0.0000 171.7340 119 Y 4.8421 7.2645 114.8866 55.7646 41.7748 174.7533 120 Y 4.4967 8.8323 120.5249 57.7667 39.1258 174.8304 121 K 5.3597 9.0118 122.9462 54.5655 35.8993 175.6660 122 A 4.8045 9.1283 126.1959 51.5513 20.1907 176.3516 123 F 5.6487 8.2978 114.7588 55.7585 41.4871 173.7061 124 K 4.8200 9.9871 119.7195 54.8798 35.6913 175.2450 125 I 4.8099 8.3487 122.7191 59.5825 41.7423 174.5154 126 S 4.2845 7.9213 121.2577 55.9921 64.0236 172.2226 127 C 4.4268 8.3648 126.8298 59.0202 31.5380 173.7975 128 K 3.8623 8.5349 125.4117 57.6573 31.8342 178.6374 129 G 3.8186 8.2024 105.1307 45.7968 0.0000 172.9543 130 H 4.7222 7.5390 116.9621 53.9338 29.8506 174.4755 131 P 4.2865 0.0000 0.0000 65.2811 31.1368 177.6773 132 L 4.6156 7.8335 114.9670 54.4200 42.1019 177.0856 133 A 4.1985 8.0099 125.2209 53.8218 18.7428 177.5519 134 E 5.1196 8.0736 114.9073 54.7888 31.4922 175.7824 135 L 5.0222 8.9012 123.8674 53.2178 46.8356 175.5120 136 S 5.2730 8.5012 114.0667 57.0356 66.3100 173.4924 137 R 4.6841 8.9932 119.8744 55.0185 34.7402 174.3824 138 T 4.8211 8.6740 119.5252 62.1120 70.2148 173.4844 139 I 4.3819 8.1726 128.0039 59.7379 38.0739 176.2300 140 V 4.4589 8.1706 119.9568 58.3179 35.2859 173.7867 141 P 5.0933 0.0000 0.0000 62.7013 31.4825 176.5314 142 E 4.5563 8.3722 116.7947 53.8177 30.2775 175.8342 143 E 4.1337 8.5820 121.1561 56.6158 29.4775 177.2462 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 M 8.16 4.75 0.00 2.26 2.02 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.63 0.00 2 R 8.66 4.91 0.00 1.78 1.81 0.00 3.31 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.03 0.00 3 V 9.29 4.95 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 0.97 0.00 0.00 0.97 0.00 0.00 4 L 8.85 5.07 0.00 1.84 1.62 1.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 5 L 9.04 5.01 0.00 1.62 1.59 0.91 0.52 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 6 I 8.82 4.85 1.95 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 1.28 1.24 0.91 0.00 0.00 7 H 9.48 5.00 0.00 3.17 3.22 0.00 5.57 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.95 5.06 0.00 3.65 3.60 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 0.00 0.00 0.00 0.00 9 D 9.26 4.55 0.00 2.51 2.84 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 10 Y 6.92 5.15 0.00 3.13 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 11 I 8.90 5.06 1.65 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.92 0.53 0.00 0.00 12 E 10.03 5.47 0.00 2.08 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 0.00 2.22 2.31 0.00 13 Y 8.77 5.67 0.00 3.33 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 14 E 9.71 4.95 0.00 2.01 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 2.26 2.26 0.00 15 V 9.24 4.00 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 0.63 0.00 0.00 0.92 0.00 0.00 16 K 9.51 4.44 0.00 1.91 1.40 0.00 1.80 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.80 1.70 7.81 17 D 9.61 5.33 0.00 2.72 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 18 K 8.96 3.95 0.00 1.54 1.62 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.04 7.81 19 A 8.21 4.31 -0.04 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 20 L 7.16 4.59 0.00 1.37 1.41 0.81 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.75 4.06 0.00 1.69 1.81 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.78 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.45 7.81 22 N 7.68 4.90 0.00 2.69 2.69 0.00 0.00 6.88 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 23 P 0.00 4.70 0.00 1.30 1.65 0.00 3.75 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.51 0.00 24 E 8.55 4.08 0.00 2.07 2.32 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 2.45 2.32 0.00 25 P 0.00 4.61 0.00 2.14 2.09 0.00 3.77 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 26 I 8.46 4.63 1.82 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 1.37 0.71 0.95 0.00 0.00 27 S 8.06 4.72 0.00 4.01 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 28 E 8.82 3.92 0.00 1.92 2.05 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 2.30 2.42 0.00 29 D 8.24 4.49 0.00 2.79 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 30 M 7.66 4.40 0.00 2.03 2.23 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.52 0.00 31 K 7.87 4.31 0.00 1.87 1.83 0.00 1.97 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.35 7.81 32 R 7.71 4.59 0.00 1.54 1.72 0.00 3.00 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.46 0.00 33 G 7.35 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 R 8.50 5.21 0.00 1.71 1.74 0.00 3.25 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.66 0.00 35 M 9.06 5.00 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.65 0.00 36 E 8.70 5.08 0.00 1.90 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 0.00 2.28 2.31 0.00 37 E 8.92 3.90 0.00 2.02 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 0.00 2.29 2.33 0.00 38 V 7.76 4.82 2.17 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 0.84 0.00 0.00 1.07 0.00 0.00 39 L 8.71 4.84 0.00 1.72 1.53 0.89 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 40 V 9.08 4.25 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 0.08 0.00 0.00 0.82 0.00 0.00 41 A 9.44 4.92 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 42 F 8.91 4.85 0.00 2.88 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 43 I 8.83 4.97 1.96 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.04 0.98 0.00 0.00 44 S 8.93 4.75 0.00 3.84 3.83 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 45 V 8.38 4.14 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 1.13 0.00 0.00 1.05 0.00 0.00 46 E 10.41 5.01 0.00 1.99 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 2.35 2.42 0.00 47 K 8.93 3.79 0.00 1.93 1.83 0.00 1.54 0.00 0.00 1.83 0.00 0.00 3.19 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.45 7.81 48 V 7.97 3.64 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.94 0.00 0.00 49 D 8.29 4.52 0.00 2.85 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 50 E 8.13 3.95 0.00 2.09 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 2.35 2.37 0.00 51 K 6.55 3.30 0.00 1.94 1.75 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.57 7.81 52 N 7.61 4.75 0.00 2.75 2.71 0.00 0.00 7.44 7.59 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 53 P 0.00 4.25 0.00 2.19 2.06 0.00 3.64 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.29 0.00 54 E 8.10 4.00 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 2.37 2.36 0.00 55 E 8.46 3.90 0.00 2.32 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 2.31 2.31 0.00 56 V 7.37 3.57 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 1.08 0.00 0.00 1.04 0.00 0.00 57 S 7.89 4.12 0.00 3.91 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 58 L 7.63 3.96 0.00 1.93 1.71 0.97 0.96 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 59 K 7.99 3.94 0.00 1.84 1.87 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.61 7.81 60 A 8.30 3.94 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 61 I 8.02 3.62 2.03 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 1.77 0.84 0.98 0.00 0.00 62 E 8.31 3.94 0.00 2.09 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 2.32 2.42 0.00 63 E 8.61 3.97 0.00 2.15 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 0.00 2.50 2.50 0.00 64 I 7.91 3.71 1.78 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 1.48 0.74 0.75 0.00 0.00 65 S 8.17 3.91 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 66 K 8.22 3.96 0.00 2.08 1.97 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.47 7.81 67 V 7.77 3.62 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 0.93 0.00 0.00 1.03 0.00 0.00 68 A 7.92 3.97 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 69 E 8.26 3.83 0.00 2.19 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 0.00 2.78 2.55 0.00 70 Q 7.84 4.03 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.41 2.71 0.00 71 V 7.46 4.00 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 0.80 0.00 0.00 0.85 0.00 0.00 72 K 7.60 3.81 0.00 1.86 1.94 0.00 1.80 0.00 0.00 1.82 0.00 0.00 3.12 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.43 7.81 73 A 8.71 4.52 1.18 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 0.00 0.00 74 E 8.88 4.71 0.00 1.97 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 0.00 2.38 2.31 0.00 75 N 8.17 5.56 0.00 2.87 2.82 0.00 0.00 6.56 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 76 V 8.85 4.75 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 0.89 0.00 0.00 0.40 0.00 0.00 77 F 9.05 5.03 0.00 3.18 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 78 V 8.23 4.35 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 0.83 0.00 0.00 0.94 0.00 0.00 79 Y 9.03 4.51 0.00 2.73 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 0.00 0.00 0.00 0.00 80 P 0.00 4.78 0.00 1.83 2.11 0.00 3.19 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.09 0.00 81 F 9.12 4.98 0.00 3.48 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 82 A 7.87 4.53 1.02 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 83 H 7.27 4.76 0.00 2.35 3.05 0.00 5.68 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.02 4.69 0.00 1.74 1.77 1.14 0.78 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 85 S 7.45 4.61 0.00 3.87 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 86 S 8.67 4.46 0.00 3.90 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 87 E 7.68 4.65 0.00 1.99 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 2.24 2.31 0.00 88 L 7.67 4.63 0.00 1.51 1.59 0.91 0.84 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 89 A 8.54 4.58 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 90 K 8.43 3.88 0.00 1.75 1.71 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.43 7.81 91 P 0.00 4.46 0.00 2.25 2.28 0.00 3.66 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 2.14 2.20 0.00 92 S 7.95 4.10 0.00 3.99 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 93 V 7.66 3.55 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 1.02 0.00 0.00 0.91 0.00 0.00 94 A 8.24 4.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.37 3.26 0.00 1.56 0.72 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.17 0.00 96 D 7.57 4.14 0.00 2.69 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 I 7.66 3.71 1.86 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 1.51 0.85 0.92 0.00 0.00 98 L 7.78 4.05 0.00 1.86 1.70 1.16 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 99 N 7.88 4.55 0.00 2.83 2.86 0.00 0.00 7.01 8.54 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 0.00 100 R 7.98 4.04 0.00 2.00 1.97 0.00 3.24 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 101 V 7.69 3.55 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 0.79 0.00 0.00 0.97 0.00 0.00 102 Y 8.36 4.20 0.00 3.05 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 0.00 103 Q 8.74 3.91 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.62 0.00 0.00 0.00 0.00 0.00 2.42 2.53 0.00 104 G 8.32 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.65 4.39 0.00 2.05 1.70 0.83 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 106 K 7.77 3.79 0.00 1.80 1.69 0.00 0.61 0.00 0.00 1.21 0.00 0.00 2.73 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.03 1.15 7.81 107 E 8.10 3.89 0.00 1.91 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 0.00 2.28 2.46 0.00 108 R 7.38 4.03 0.00 2.09 1.87 0.00 3.37 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 1.97 1.99 0.00 109 G 8.04 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 0.00 110 F 7.50 4.41 0.00 3.06 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 0.00 111 N 9.03 4.71 0.00 2.85 3.01 0.00 0.00 7.02 7.73 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 0.00 112 V 8.41 4.84 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 0.78 0.00 0.00 0.87 0.00 0.00 113 G 9.03 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.11 4.75 0.00 1.21 1.15 0.00 0.61 0.00 0.00 2.61 0.00 0.00 2.54 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.93 0.93 7.81 115 A 7.72 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 P 0.00 4.27 0.00 2.00 2.02 0.00 3.05 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.14 0.00 117 F 9.82 4.08 0.00 3.12 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 0.00 118 G 8.36 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 0.00 119 Y 7.26 4.84 0.00 2.76 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 0.00 120 Y 8.83 4.50 0.00 3.13 2.95 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 0.00 121 K 9.01 5.36 0.00 1.88 2.04 0.00 1.67 0.00 0.00 1.97 0.00 0.00 2.93 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.44 1.65 7.81 122 A 9.13 4.80 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 0.00 123 F 8.30 5.65 0.00 3.38 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 0.00 124 K 9.99 4.82 0.00 1.92 1.87 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.83 7.81 125 I 8.35 4.81 2.01 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.83 1.01 0.00 0.00 126 S 7.92 4.28 0.00 2.89 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 0.00 127 C 8.36 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 0.00 128 K 8.53 3.86 0.00 1.74 1.54 0.00 1.36 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.38 7.81 129 G 8.20 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 0.00 0.00 0.00 130 H 7.54 4.72 0.00 3.23 3.23 0.00 5.64 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 P 0.00 4.29 0.00 2.05 2.14 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 132 L 7.83 4.62 0.00 1.64 1.67 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 133 A 8.01 4.20 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 0.00 134 E 8.07 5.12 0.00 1.83 1.87 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 2.18 2.28 0.00 135 L 8.90 5.02 0.00 1.56 1.50 0.93 0.40 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 0.00 136 S 8.50 5.27 0.00 3.83 3.79 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 0.00 0.00 0.00 0.00 137 R 8.99 4.68 0.00 1.72 1.80 0.00 3.40 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.75 0.00 138 T 8.67 4.82 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 1.23 0.00 0.00 139 I 8.17 4.38 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.55 0.92 0.00 0.00 140 V 8.17 4.46 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.94 0.00 0.00 141 P 0.00 5.09 0.00 2.17 2.10 0.00 3.32 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.13 0.00 142 E 8.37 4.56 0.00 1.91 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 2.20 2.49 0.00 143 E 8.58 4.13 0.00 1.93 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 2.32 2.38 0.00