NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0321 8.0544 114.0529 61.5517 32.9959 173.9275 2 H 4.6549 8.5832 120.7066 53.8816 31.3030 171.7412 3 L 4.8734 7.7607 126.4273 52.2074 45.8990 176.7286 4 T 4.0288 8.5672 113.3526 60.8636 70.7058 173.6603 5 P 4.1873 0.0000 0.0000 66.0076 31.3864 178.5715 6 E 3.9344 8.1101 115.5118 59.6865 29.3844 178.9611 7 E 3.9196 8.2114 119.6605 58.6902 29.4806 179.2077 8 K 3.8547 8.3176 120.4248 59.4556 32.2861 179.0601 9 S 4.1889 8.1106 114.1970 60.8744 63.0239 176.3945 10 A 3.9321 7.6540 124.2935 55.3634 18.0645 179.2357 11 V 3.0243 7.4618 116.4205 66.0486 31.5409 177.9025 12 T 3.9530 8.0570 114.7857 67.1356 68.3137 175.9355 13 A 3.9880 7.8144 120.7352 55.1768 18.7205 178.7720 14 L 3.8245 8.1380 117.7585 58.1910 42.0919 179.4360 15 W 4.3342 8.9134 128.2865 60.1709 30.4587 177.8369 16 G 3.7685 8.0718 104.1837 46.6189 0.0000 175.1974 17 K 4.2678 7.7267 120.0303 57.4189 32.6682 177.7929 18 V 3.4032 6.7087 119.4900 62.6593 31.8273 175.7741 19 N 4.5318 8.2399 125.6194 51.8583 38.6905 175.1475 20 V 3.4635 8.1242 127.4695 66.1878 31.1707 176.8983 21 D 4.4309 8.0708 118.1620 57.4387 40.5974 178.6371 22 E 4.0144 7.9449 116.0607 57.8580 30.4220 178.1427 23 V 3.6220 7.9161 119.6087 65.3412 31.3811 178.3425 24 G 3.6601 8.4857 106.4673 47.7331 0.0000 176.1096 25 G 3.5807 7.6032 108.2813 47.2647 0.0000 175.7980 26 E 3.8826 7.9662 120.7289 59.1026 29.5713 179.0589 27 A 3.9201 8.1495 121.0760 55.1229 18.4277 179.4030 28 L 3.9553 8.2016 118.9662 58.2293 42.0823 178.9294 29 G 3.8245 8.1429 105.8327 48.3849 0.0000 175.6785 30 R 3.8646 8.4265 121.3825 58.3053 29.9848 178.8158 31 L 3.9534 7.8885 120.1406 58.4626 42.0182 179.1518 32 L 4.0586 8.0670 118.6271 57.3569 41.2262 179.5041 33 V 3.7222 7.0012 117.2135 65.1365 31.9535 177.8809 34 V 3.4921 7.9060 117.2380 64.3386 32.8089 175.6866 35 Y 3.7065 7.4689 116.9945 54.0527 37.7443 173.8970 36 P 4.5680 0.0000 0.0000 64.4579 31.9065 177.5009 37 W 4.4073 8.7449 115.2730 60.0426 27.4973 178.0090 38 T 4.2433 7.8220 109.7426 63.9949 68.1942 176.2001 39 Q 4.2410 8.3583 121.9622 58.6441 28.4142 178.5974 40 R 3.8016 7.4551 116.2303 58.9586 29.1706 177.8584 41 F 4.3834 7.0066 115.6073 57.0589 39.7085 175.5715 42 F 4.6885 7.8527 118.1978 56.7026 39.7811 176.6917 43 E 4.0383 8.2921 121.6244 59.4264 29.7681 178.7567 44 S 4.5504 8.1101 110.3101 59.1127 63.2358 174.5639 45 F 4.4331 8.1959 119.8622 58.3778 39.8043 176.4750 46 G 3.9484 8.2129 106.0394 44.2969 0.0000 172.6287 47 D 4.5852 8.5014 122.6742 53.9815 41.7110 176.4079 48 L 4.8393 8.4038 124.3899 54.1867 43.2314 177.4037 49 S 4.2581 8.1814 115.7813 60.7396 63.1511 175.2265 50 T 4.6327 7.4629 113.3837 58.5795 71.2769 172.1084 51 P 4.1954 0.0000 0.0000 66.1719 31.3349 178.5349 52 D 4.2728 8.0954 116.4928 57.3346 40.5658 178.5974 53 A 3.9660 7.7557 119.5693 55.0732 18.6510 179.4865 54 V 3.6914 8.1947 117.1251 66.5162 31.4680 178.3057 55 M 4.0437 8.6002 118.1092 58.2855 31.8768 178.0313 56 G 3.6791 8.2099 106.0445 46.8284 0.0000 173.9068 57 N 4.3397 7.7576 119.9373 53.3159 39.9249 173.7423 58 P 4.2680 0.0000 0.0000 65.3314 31.5904 178.9385 59 K 3.6625 8.0435 117.6578 59.1043 31.7187 179.3676 60 V 3.8225 7.7345 118.0775 65.9040 31.4967 177.8518 61 K 3.8639 7.7584 118.4858 59.4461 32.0093 178.6239 62 A 3.9716 8.2305 121.3751 55.4614 18.2540 179.1283 63 H 4.2471 8.7966 117.2874 59.3142 29.9457 177.5471 64 G 3.6805 8.3680 108.0115 47.8081 0.0000 175.3580 65 K 3.9524 7.9455 121.7501 59.1321 32.1845 178.9101 66 K 3.9675 7.8220 118.7384 59.4948 31.9924 179.0514 67 V 3.6506 8.0253 118.6853 66.4926 31.4290 177.9610 68 L 4.3307 8.5677 120.1494 57.8368 42.0382 178.9935 69 G 3.8126 8.6056 106.2639 47.8416 0.0000 175.3636 70 A 4.2577 7.9259 123.4269 54.2812 18.9330 178.7834 71 F 4.0928 8.5379 119.2964 61.7969 39.2828 177.4120 72 S 4.1394 8.8535 114.7250 62.0994 62.3808 176.6080 73 D 4.5140 8.1296 120.8138 57.1623 40.3554 179.3977 74 G 3.3433 7.7911 106.0399 47.5748 0.0000 175.6035 75 L 3.6608 6.9343 119.8745 57.6595 41.6745 179.4419 76 A 4.0073 7.2742 118.8645 53.9231 19.2865 177.3575 77 H 4.8105 8.0493 115.3866 54.7099 29.3226 175.6352 78 L 3.9051 7.8100 121.9759 58.0477 42.4936 177.3608 79 D 4.4450 8.0379 117.2848 56.5580 41.6602 175.5918 80 N 4.9635 7.9415 116.6771 50.6628 39.1946 174.1644 81 L 4.0719 8.0516 122.7388 57.3888 42.0995 178.4081 82 K 4.0013 8.1959 117.9987 59.6019 31.8000 179.0055 83 G 3.7692 8.5856 105.2818 48.3673 0.0000 175.0268 84 T 3.7813 7.2740 116.6426 66.2660 68.7838 176.0308 85 F 4.5363 8.0374 117.0947 58.0035 39.2943 177.6100 86 A 4.0214 7.7728 121.6634 55.8941 18.0822 179.8550 87 T 3.8504 7.8287 113.2623 66.8742 68.6959 176.9447 88 L 4.1725 7.9480 120.3969 57.4481 41.8694 179.2974 89 S 4.3021 8.7287 113.8658 61.4396 62.3625 175.8239 90 E 3.8490 8.4943 122.4283 59.0567 29.3890 178.4788 91 L 3.8718 8.0239 120.2818 58.6138 42.1523 178.4112 92 H 4.0039 8.7131 116.4602 59.1436 28.7231 177.2736 93 C 3.4879 7.5974 119.6705 62.3466 31.1495 175.3963 94 D 4.3677 7.8533 119.1302 56.5674 40.6564 177.3062 95 K 4.2878 7.8083 118.1158 56.7054 33.6368 176.7180 96 L 4.2777 7.7001 116.7116 54.3834 42.8188 175.8026 97 H 4.1269 7.1210 113.0169 56.6995 26.5923 175.5717 98 V 3.5055 7.8838 119.0571 60.7067 31.8446 174.7743 99 D 4.2051 8.6586 127.4005 54.1718 41.5363 175.4000 100 P 3.0033 0.0000 0.0000 64.5715 31.1950 177.9606 101 E 3.9152 8.0208 118.4503 58.8463 29.4966 178.2349 102 N 4.3944 8.1803 116.9596 55.7376 38.5123 177.3963 103 F 4.5052 7.3397 119.5923 60.6373 38.9661 177.7883 104 R 3.9636 7.9671 117.2111 59.1643 29.8306 178.9552 105 L 3.7455 7.8469 118.6577 57.6511 41.5564 179.1899 106 L 4.0591 7.9320 120.3397 58.2619 42.1397 179.0791 107 G 3.6510 8.0319 105.3419 48.0210 0.0000 175.4152 108 N 4.4146 8.0585 118.2927 56.1552 38.6860 177.7757 109 V 3.6352 8.1680 120.0318 65.7871 31.5803 177.7444 110 L 3.8611 8.4940 120.7055 58.1691 41.8411 179.0906 111 V 3.6993 7.6932 117.6852 66.2610 31.5592 177.8262 112 C 4.0622 7.8800 116.2932 62.7491 27.9457 176.2705 113 V 3.5312 7.6545 119.8170 65.8184 30.9990 177.8698 114 L 3.8133 8.2407 118.7871 57.8424 41.3610 179.1764 115 A 3.3388 7.1564 120.6270 55.3736 17.9336 179.2498 116 H 4.1080 7.6008 115.3429 59.4176 30.0397 176.8301 117 H 3.8633 8.0560 119.2454 59.1072 29.9916 176.8134 118 F 4.3999 8.1754 118.1717 56.8280 39.5875 177.2634 119 G 3.9162 8.3929 108.9497 46.2522 0.0000 177.6261 120 K 4.1715 8.8346 122.7062 58.9876 32.7081 177.7838 121 E 4.0839 7.9656 120.8181 59.1399 29.7716 177.2474 122 F 4.5652 7.9294 121.7474 57.3288 37.7337 175.1037 123 T 4.3124 7.6042 116.5482 59.7564 71.4004 173.3701 124 P 4.3702 0.0000 0.0000 65.8618 31.2872 177.1556 125 P 4.1982 0.0000 0.0000 65.3686 31.2355 179.0183 126 V 3.4994 7.1631 116.9007 65.7512 31.3855 177.7018 127 Q 3.4560 8.4256 120.0493 59.0626 28.8413 178.3986 128 A 3.9735 8.1575 121.5277 55.1273 18.1260 179.4232 129 A 3.9027 7.9116 119.3148 55.6180 18.4803 179.4973 130 Y 4.1315 8.1340 115.1065 60.9214 37.9454 178.3975 131 Q 4.1213 8.5953 120.0645 58.8282 28.8877 178.8444 132 K 4.0618 8.2035 119.7998 59.6819 32.4541 179.5724 133 V 3.5485 7.4920 118.3675 65.8585 31.4374 178.3365 134 V 3.7735 7.8843 111.8243 64.4386 31.3968 178.2378 135 A 4.1078 8.0576 120.4988 55.4094 18.2635 179.9850 136 G 3.5338 8.1819 104.0241 47.8521 0.0000 176.1119 137 V 3.3792 7.9874 120.4314 65.5284 31.6491 178.0302 138 A 3.9446 8.1826 120.7680 55.3580 18.3663 179.4489 139 N 4.3849 8.4729 114.8802 56.1769 38.3404 177.5922 140 A 4.0548 7.6648 121.7176 55.1205 18.5906 179.3136 141 L 4.0503 7.8664 115.8409 56.6644 42.0062 178.4918 142 A 4.4572 7.8679 119.6751 53.1183 18.9288 178.3930 143 H 4.0061 7.8420 116.8436 59.3449 29.8346 175.8951 144 K 4.4926 8.2057 115.3537 56.3337 31.9569 176.3693 145 Y 4.0638 8.1768 117.5912 58.3756 38.4599 175.5985 146 H 4.3826 8.2784 117.3063 56.3281 28.0287 173.5305 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 V 8.05 4.03 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 0.91 0.00 0.00 0.88 0.00 0.00 2 H 8.58 4.65 0.00 3.16 3.17 0.00 5.67 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.76 4.87 0.00 1.49 1.38 0.78 0.89 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 4 T 8.57 4.03 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 1.25 0.00 0.00 5 P 0.00 4.19 0.00 2.15 2.15 0.00 3.58 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 6 E 8.11 3.93 0.00 2.13 2.19 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 2.34 2.33 0.00 7 E 8.21 3.92 0.00 2.08 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 2.26 0.00 8 K 8.32 3.85 0.00 1.76 1.87 0.00 1.43 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.44 7.81 9 S 8.11 4.19 0.00 4.10 4.08 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 10 A 7.65 3.93 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 11 V 7.46 3.02 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 0.62 0.00 0.00 0.37 0.00 0.00 12 T 8.06 3.95 4.36 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 1.23 0.00 0.00 13 A 7.81 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 14 L 8.14 3.82 0.00 1.81 2.03 -0.33 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.91 4.33 0.00 3.92 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 16 G 8.07 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 17 K 7.73 4.27 0.00 1.93 2.08 0.00 1.69 0.00 0.00 1.51 0.00 0.00 3.25 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.60 7.81 18 V 6.71 3.40 1.51 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 -0.05 0.00 0.00 0.57 0.00 0.00 19 N 8.24 4.53 0.00 2.79 2.59 0.00 0.00 6.82 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 20 V 8.12 3.46 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 1.27 0.00 0.00 1.00 0.00 0.00 21 D 8.07 4.43 0.00 2.98 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 7.94 4.01 0.00 2.12 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 2.21 2.34 0.00 23 V 7.92 3.62 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 0.97 0.00 0.00 0.66 0.00 0.00 24 G 8.49 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.60 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 26 E 7.97 3.88 0.00 2.04 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 2.28 2.41 0.00 27 A 8.15 3.92 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 28 L 8.20 3.96 0.00 1.76 1.78 0.74 1.41 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 29 G 8.14 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 30 R 8.43 3.86 0.00 1.89 1.93 0.00 3.13 0.00 0.00 3.01 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 31 L 7.89 3.95 0.00 1.89 1.87 1.03 0.52 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 32 L 8.07 4.06 0.00 1.90 1.69 1.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.00 3.72 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 0.72 0.00 0.00 0.93 0.00 0.00 34 V 7.91 3.49 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 0.07 0.00 0.00 0.72 0.00 0.00 35 Y 7.47 3.71 0.00 2.39 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 36 P 0.00 4.57 0.00 2.26 2.14 0.00 3.83 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 2.19 2.12 0.00 37 W 8.74 4.41 0.00 3.47 3.41 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 38 T 7.82 4.24 4.46 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 1.13 0.00 0.00 39 Q 8.36 4.24 0.00 2.32 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.78 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 40 R 7.46 3.80 0.00 1.59 1.82 0.00 3.04 0.00 0.00 2.57 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 41 F 7.01 4.38 0.00 1.86 2.47 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 42 F 7.85 4.69 0.00 2.78 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 43 E 8.29 4.04 0.00 1.97 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 2.27 2.23 0.00 44 S 8.11 4.55 0.00 4.13 4.09 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 0.00 0.00 0.00 0.00 45 F 8.20 4.43 0.00 3.29 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 46 G 8.21 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 47 D 8.50 4.59 0.00 2.65 2.61 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 48 L 8.40 4.84 0.00 1.67 1.65 1.10 1.03 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 49 S 8.18 4.26 0.00 3.93 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 0.00 50 T 7.46 4.63 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 1.23 0.00 0.00 51 P 0.00 4.20 0.00 2.16 2.08 0.00 3.64 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 2.09 2.18 0.00 52 D 8.10 4.27 0.00 2.75 2.70 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 53 A 7.76 3.97 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 54 V 8.19 3.69 2.08 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 1.03 0.00 0.00 0.97 0.00 0.00 55 M 8.60 4.04 0.00 1.96 2.08 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 2.60 2.79 0.00 56 G 8.21 3.68 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 0.00 0.00 0.00 57 N 7.76 4.34 0.00 3.07 2.84 0.00 0.00 7.06 9.05 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 58 P 0.00 4.27 0.00 2.12 2.02 0.00 3.58 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 2.06 2.24 0.00 59 K 8.04 3.66 0.00 0.93 0.74 0.00 1.50 0.00 0.00 1.38 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.06 1.16 7.81 60 V 7.73 3.82 2.29 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 1.09 0.00 0.00 1.10 0.00 0.00 61 K 7.76 3.86 0.00 2.11 1.88 0.00 1.55 0.00 0.00 1.62 0.00 0.00 3.37 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.47 7.81 62 A 8.23 3.97 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 63 H 8.80 4.25 0.00 3.68 3.60 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.37 3.68 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 0.00 0.00 0.00 65 K 7.95 3.95 0.00 1.88 2.04 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.51 7.81 66 K 7.82 3.97 0.00 2.03 1.88 0.00 1.85 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.69 7.81 67 V 8.03 3.65 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 1.15 0.00 0.00 1.02 0.00 0.00 68 L 8.57 4.33 0.00 2.05 1.83 0.93 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.61 3.81 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 0.00 0.00 0.00 70 A 7.93 4.26 1.52 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 0.00 0.00 71 F 8.54 4.09 0.00 3.28 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 72 S 8.85 4.14 0.00 4.26 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 0.00 73 D 8.13 4.51 0.00 2.68 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 74 G 7.79 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 0.00 0.00 0.00 75 L 6.93 3.66 0.00 1.51 1.48 -0.48 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.27 4.01 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 77 H 8.05 4.81 0.00 3.09 3.20 0.00 5.83 0.00 0.00 0.00 0.00 8.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.81 3.91 0.00 1.62 1.62 0.80 1.12 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 79 D 8.04 4.45 0.00 2.62 2.65 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 80 N 7.94 4.96 0.00 2.79 2.58 0.00 0.00 7.20 5.94 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 81 L 8.05 4.07 0.00 1.75 1.78 0.94 0.71 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 82 K 8.20 4.00 0.00 1.87 1.81 0.00 1.53 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.48 1.31 7.81 83 G 8.59 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 84 T 7.27 3.78 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 0.41 0.00 0.00 85 F 8.04 4.54 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.77 4.02 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 87 T 7.83 3.85 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 88 L 7.95 4.17 0.00 2.04 1.87 1.07 0.91 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 89 S 8.73 4.30 0.00 3.98 4.12 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 90 E 8.49 3.85 0.00 2.29 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 2.39 2.28 0.00 91 L 8.02 3.87 0.00 1.81 1.88 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.71 4.00 0.00 3.62 3.97 0.00 5.86 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.60 3.49 0.00 1.23 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 94 D 7.85 4.37 0.00 2.74 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 95 K 7.81 4.29 0.00 1.67 1.86 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.36 7.81 96 L 7.70 4.28 0.00 1.72 1.61 0.71 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.12 4.13 0.00 3.48 3.45 0.00 5.64 0.00 0.00 0.00 0.00 8.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.88 3.51 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 -0.02 0.00 0.00 0.47 0.00 0.00 99 D 8.66 4.21 0.00 2.76 2.60 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 0.00 100 P 0.00 3.00 0.00 1.83 1.69 0.00 3.26 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.44 0.00 101 E 8.02 3.92 0.00 2.00 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 2.29 2.38 0.00 102 N 8.18 4.39 0.00 2.42 2.73 0.00 0.00 6.87 7.69 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 0.00 103 F 7.34 4.51 0.00 3.14 2.87 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 0.00 104 R 7.97 3.96 0.00 2.07 1.96 0.00 3.26 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 105 L 7.85 3.75 0.00 1.69 1.34 0.56 -0.19 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 0.00 106 L 7.93 4.06 0.00 1.84 1.74 0.94 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.03 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 0.00 108 N 8.06 4.41 0.00 3.07 2.94 0.00 0.00 6.66 8.87 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 0.00 109 V 8.17 3.64 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 1.06 0.00 0.00 1.16 0.00 0.00 110 L 8.49 3.86 0.00 1.72 1.73 0.90 0.30 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 0.00 111 V 7.69 3.70 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 1.43 0.00 0.00 1.15 0.00 0.00 112 C 7.88 4.06 0.00 3.11 2.90 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 0.00 113 V 7.65 3.53 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 0.96 0.00 0.00 0.94 0.00 0.00 114 L 8.24 3.81 0.00 1.17 1.32 0.64 0.99 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 0.00 115 A 7.16 3.34 1.15 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 0.00 0.00 116 H 7.60 4.11 0.00 3.22 3.37 0.00 5.78 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 0.00 117 H 8.06 3.86 0.00 2.83 2.86 0.00 5.99 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.18 4.40 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 0.00 119 G 8.39 3.92 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 0.00 0.00 0.00 120 K 8.83 4.17 0.00 1.93 2.01 0.00 1.62 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.47 7.81 121 E 7.97 4.08 0.00 2.04 2.39 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 2.35 2.29 0.00 122 F 7.93 4.57 0.00 3.17 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 0.00 123 T 7.60 4.31 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 1.35 0.00 0.00 124 P 0.00 4.37 0.00 2.17 2.17 0.00 3.61 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 125 P 0.00 4.20 0.00 2.12 2.07 0.00 3.51 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 126 V 7.16 3.50 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 0.88 0.00 0.00 0.88 0.00 0.00 127 Q 8.43 3.46 0.00 1.92 2.17 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 2.43 2.61 0.00 128 A 8.16 3.97 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 0.00 129 A 7.91 3.90 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 0.00 130 Y 8.13 4.13 0.00 3.25 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 0.00 131 Q 8.60 4.12 0.00 2.25 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.78 2.57 0.00 132 K 8.20 4.06 0.00 1.94 2.07 0.00 1.32 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.61 1.55 7.81 133 V 7.49 3.55 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 1.05 0.00 0.00 0.81 0.00 0.00 134 V 7.88 3.77 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 0.90 0.00 0.00 1.14 0.00 0.00 135 A 8.06 4.11 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 0.00 136 G 8.18 3.53 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 0.00 0.00 0.00 137 V 7.99 3.38 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 0.65 0.00 0.00 0.73 0.00 0.00 138 A 8.18 3.94 1.46 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 0.00 0.00 139 N 8.47 4.38 0.00 2.83 2.90 0.00 0.00 6.93 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 0.00 140 A 7.66 4.05 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 0.00 141 L 7.87 4.05 0.00 1.00 0.83 -0.07 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.87 4.46 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 0.00 143 H 7.84 4.01 0.00 3.48 3.54 0.00 5.74 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.21 4.49 0.00 1.82 1.80 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.50 1.75 7.81 145 Y 8.18 4.06 0.00 3.12 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 0.00 146 H 8.28 4.38 0.00 3.22 3.24 0.00 5.75 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00