NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8333 8.3501 109.7393 44.9430 0.0000 173.4568 2 A 3.5008 8.7947 117.3981 53.3345 16.3933 176.3018 3 M 4.6972 9.2701 121.0925 55.3132 32.4067 175.3669 4 A 4.4414 7.7932 120.6787 51.9597 19.0525 177.5682 5 M 4.4509 8.6081 121.2983 54.2169 33.7936 174.4999 6 P 4.4807 0.0000 0.0000 63.2844 32.2301 177.6345 7 M 4.3403 9.3241 124.2407 58.4505 31.7505 179.4164 8 I 3.6765 7.7309 119.6722 64.3299 37.3876 177.7778 9 E 4.2072 8.1898 121.0248 58.8999 29.4584 177.9838 10 Y 4.2341 8.7505 119.9430 60.6641 38.9061 177.7748 11 L 4.0305 8.3127 121.2519 58.2197 42.0852 178.6834 12 E 4.0052 8.3876 118.4947 59.7003 29.2589 179.7223 13 R 3.8129 7.9872 116.6050 58.6558 30.1847 178.2985 14 F 4.3083 7.9239 115.5201 59.3197 39.9459 177.5324 15 S 4.2527 7.9137 112.3702 59.9095 63.2334 174.9450 16 L 4.4062 7.9714 119.1121 53.9679 43.4579 177.9286 17 K 3.8766 8.3913 114.6673 56.8281 30.0813 174.7453 18 A 4.6912 7.2286 121.9297 50.5684 21.9418 175.1798 19 K 4.5737 8.4511 117.4000 54.9880 33.4623 176.3113 20 I 4.2413 8.3390 127.9230 60.4270 37.9462 174.4468 21 N 4.9814 8.1869 125.5988 52.3373 38.8259 174.8548 22 N 4.6180 9.0325 114.8870 55.3505 37.5028 175.3060 23 T 4.4881 8.4524 109.6716 61.4619 69.0694 174.8344 24 T 3.9123 7.7322 112.9486 62.7663 68.5871 173.7419 25 N 4.8951 8.7021 121.0645 53.2289 39.5372 175.8396 26 L 4.3473 7.5667 117.4619 54.8299 42.3269 178.2481 27 D 4.3171 7.5685 119.8922 57.8653 40.8160 178.0511 28 Y 4.4318 7.6773 114.1962 59.4414 38.0913 176.6031 29 S 4.8932 7.7173 114.6552 59.2762 63.7883 175.9870 30 R 3.9170 7.6578 120.9065 59.5128 29.3623 178.1940 31 R 4.4587 7.3083 118.4672 58.2086 30.1276 177.3838 32 F 4.7386 7.2268 114.9435 57.9313 39.8296 177.0993 33 L 4.3955 7.6159 118.6574 56.3235 41.8011 178.1935 34 E 3.9452 8.0501 119.4007 59.4233 29.2761 177.6445 35 P 4.3226 0.0000 0.0000 65.5105 31.4075 177.8463 36 F 4.4529 8.2472 117.8620 60.1227 39.6512 176.6300 37 L 4.2909 7.6536 116.7735 54.5925 42.0748 177.3365 38 R 3.8650 7.5183 119.2696 57.4347 30.3310 176.6451 39 G 3.6949 8.9468 112.7252 46.8335 0.0000 172.7903 40 I 5.3411 7.7402 111.0713 57.8154 41.6123 173.7657 41 N 5.4111 8.5548 119.5346 51.1953 39.7412 173.6089 42 V 4.5994 8.6664 117.0939 59.2511 35.3265 175.1143 43 V 4.2185 8.8345 126.1348 62.2144 32.6995 174.4816 44 Y 4.7465 9.2169 132.0721 57.5670 39.6717 174.4881 45 T 4.1948 7.9492 119.0654 59.1364 69.6521 173.1009 46 P 3.5961 0.0000 0.0000 61.3123 32.0928 175.1140 47 P 4.0135 0.0000 0.0000 62.3063 31.7577 177.2234 48 Q 4.2002 8.4959 118.1212 59.2950 28.3677 177.9814 49 S 4.4364 8.1401 112.5772 59.8327 63.4728 174.8609 50 F 4.2368 9.0361 119.3574 58.3030 39.4161 176.3262 51 Q 3.5303 8.0971 116.7012 57.3840 26.0162 173.3763 52 S 4.8530 7.9208 110.8990 56.2699 65.9277 174.3500 53 A 4.1760 8.3859 126.1776 51.4072 18.7762 175.8863 54 P 5.0336 0.0000 0.0000 62.0898 32.3025 175.9622 55 R 4.6823 8.5989 123.3874 54.3386 33.6479 174.1823 56 V 4.5643 8.2018 125.2901 61.4357 32.9274 174.8745 57 Y 4.7704 9.1205 120.9403 56.0041 41.8633 174.7525 58 R 4.4677 8.7274 124.1039 55.8530 30.9130 176.0009 59 V 3.7677 9.0878 128.6440 63.1579 31.7414 176.2758 60 N 4.3949 8.7634 126.7726 53.1104 39.2510 177.6974 61 G 4.1707 7.0207 107.3704 46.3939 0.0000 171.7926 62 L 5.1994 8.0828 123.9663 52.7736 45.4465 176.2249 63 S 4.5233 8.8040 117.9358 58.0267 63.6648 175.7572 64 R 4.2751 8.4970 120.8908 57.3443 30.0960 176.5560 65 A 4.6501 7.5507 120.3924 49.3113 21.8521 174.3292 66 P 4.4259 0.0000 0.0000 61.8936 32.3319 177.4396 67 A 4.0906 8.4798 122.2182 54.8475 18.2720 179.3650 68 S 4.5867 7.9815 108.1544 59.0058 63.9306 174.6537 69 S 4.5603 7.9364 116.6593 60.5140 64.1252 174.6891 70 E 4.3985 7.9655 120.0104 56.5425 30.3839 175.8872 71 T 5.3250 8.5245 112.9056 59.8626 72.0893 172.9653 72 F 5.0400 8.6048 118.0075 54.9866 41.7927 173.4823 73 E 4.7573 8.9150 122.0891 55.7904 30.2348 175.1811 74 H 4.7099 9.1001 127.1623 55.5960 32.7460 172.8573 75 D 4.4060 9.3896 124.3432 54.8662 39.3050 174.5344 76 G 3.9531 8.3287 104.3608 44.8558 0.0000 173.6105 77 K 4.4357 7.7680 120.0620 54.7463 34.2938 176.2100 78 K 4.7099 8.6389 124.6999 55.7747 31.7246 176.2437 79 V 4.3278 7.9414 119.0471 59.5776 33.9956 176.3003 80 T 5.2453 8.1687 112.9557 60.6690 70.1371 175.5258 81 I 4.1314 8.8259 123.8643 65.0369 37.1702 178.4216 82 A 4.1684 8.3264 121.4798 55.5103 18.1818 179.9292 83 S 4.2387 8.0183 113.7835 61.7410 62.8725 176.2723 84 Y 4.1536 8.4190 122.4420 60.8429 38.6111 178.1561 85 F 4.2955 8.7578 118.4410 60.8692 39.0869 177.1796 86 H 4.4164 8.6511 119.3636 58.8303 29.4346 177.3301 87 S 4.0912 8.4062 114.6120 60.9683 62.2730 175.5126 88 R 3.7291 7.3161 117.9335 55.6425 30.3989 175.2800 89 N 4.1095 8.6062 115.6499 53.9589 36.8454 175.3778 90 Y 4.5879 8.1354 120.5950 55.7496 40.4543 171.2627 91 P 4.5146 0.0000 0.0000 61.8330 31.9775 176.4692 92 L 3.8977 8.2475 124.1241 54.3241 42.0727 177.5579 93 K 3.7767 7.6302 123.5128 58.5074 32.7346 177.8006 94 F 4.9369 6.9278 113.0632 54.7612 37.7576 173.1842 95 P 4.4565 0.0000 0.0000 65.0614 32.0114 178.3331 96 Q 4.1590 7.8695 118.9890 56.9256 29.3987 175.2911 97 L 4.1618 7.5115 118.0292 55.2851 42.1571 176.7865 98 H 4.0328 9.0316 120.8675 56.5805 29.2920 175.1535 99 C 4.3146 8.4588 120.6142 59.5773 29.6180 172.8171 100 L 4.2687 8.9589 125.4326 55.1635 42.9576 175.5003 101 N 4.7051 9.0612 126.2939 52.9269 39.2628 173.6060 102 V 4.0081 8.0350 120.0892 60.3511 35.7583 174.1094 103 G 4.0962 10.9650 114.1800 45.2578 0.0000 173.1253 104 S 4.6315 7.7925 110.0637 56.0882 66.1860 175.8459 105 S 4.2920 8.6005 119.0719 60.1693 63.3128 175.1460 106 I 4.1204 7.6370 112.8570 61.1353 38.4427 175.5112 107 K 4.3944 7.4613 121.9193 54.2216 32.0863 173.2319 108 S 5.0246 8.4170 118.8036 56.6742 64.2754 173.1120 109 I 4.3917 8.4273 117.7010 58.9737 40.2354 174.2579 110 L 5.0163 8.3288 125.1972 53.3411 43.0874 175.8096 111 L 4.8916 8.2665 123.4768 51.6628 45.9645 174.3313 112 P 4.4716 0.0000 0.0000 62.8637 31.3436 176.9254 113 I 3.8878 8.4935 124.6007 63.3964 38.2151 177.1002 114 E 4.0286 8.4544 120.2389 59.0301 29.5381 177.2070 115 L 4.4392 8.4590 116.5551 54.6765 42.2860 175.2234 116 C 5.0775 7.9182 117.8134 58.3573 30.6451 172.7369 117 S 5.0891 8.5025 115.8481 56.4815 66.0030 172.9252 118 I 4.1269 8.5595 128.3347 60.9102 38.1539 174.9947 119 E 4.4410 8.5134 129.1711 55.5630 29.6992 177.6118 120 E 3.9781 8.4640 125.6059 58.9663 29.7227 178.8319 121 G 3.6053 7.8682 106.5480 46.6271 0.0000 174.2685 122 Q 3.9748 8.2314 121.5379 58.1248 29.5340 175.5376 123 A 4.1515 7.2690 125.0466 52.2572 18.5433 176.7613 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 G 8.35 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 0.00 0.00 0.00 2 A 8.79 3.50 1.38 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 3 M 9.27 4.70 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.54 0.00 4 A 7.79 4.44 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 M 8.61 4.45 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.65 0.00 6 P 0.00 4.48 0.00 2.14 2.04 0.00 3.68 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 7 M 9.32 4.34 0.00 2.06 2.53 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.69 0.00 8 I 7.73 3.68 1.94 0.00 0.00 0.50 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 1.13 0.95 0.00 0.00 9 E 8.19 4.21 0.00 2.15 2.25 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 2.46 2.39 0.00 10 Y 8.75 4.23 0.00 3.22 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 11 L 8.31 4.03 0.00 2.11 1.81 0.99 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.39 4.01 0.00 2.22 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 0.00 2.38 2.67 0.00 13 R 7.99 3.81 0.00 1.51 1.43 0.00 3.19 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.91 0.00 14 F 7.92 4.31 0.00 2.53 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 15 S 7.91 4.25 0.00 3.96 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 16 L 7.97 4.41 0.00 1.65 1.63 0.89 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.39 3.88 0.00 1.85 1.85 0.00 1.55 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.45 7.81 18 A 7.23 4.69 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 19 K 8.45 4.57 0.00 1.70 1.71 0.00 1.70 0.00 0.00 1.92 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.53 7.81 20 I 8.34 4.24 1.81 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 1.30 0.85 0.49 0.00 0.00 21 N 8.19 4.98 0.00 2.98 2.95 0.00 0.00 6.00 6.99 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 22 N 9.03 4.62 0.00 2.88 3.01 0.00 0.00 5.83 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 23 T 8.45 4.49 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 24 T 7.73 3.91 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 1.25 0.00 0.00 25 N 8.70 4.90 0.00 2.84 2.94 0.00 0.00 7.27 6.80 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 26 L 7.57 4.35 0.00 1.64 1.68 0.96 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 27 D 7.57 4.32 0.00 2.35 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 0.00 0.00 0.00 0.00 28 Y 7.68 4.43 0.00 3.08 3.05 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 29 S 7.72 4.89 0.00 4.18 4.15 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 30 R 7.66 3.92 0.00 2.15 1.74 0.00 3.25 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 31 R 7.31 4.46 0.00 1.33 0.84 0.00 2.96 0.00 0.00 3.73 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.27 0.00 32 F 7.23 4.74 0.00 3.08 3.05 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 33 L 7.62 4.40 0.00 1.87 1.79 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.05 3.95 0.00 2.22 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 2.31 2.52 0.00 35 P 0.00 4.32 0.00 2.13 2.20 0.00 3.88 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 36 F 8.25 4.45 0.00 3.01 3.30 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 37 L 7.65 4.29 0.00 1.90 1.70 1.27 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 38 R 7.52 3.87 0.00 1.77 1.86 0.00 3.21 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.80 0.00 39 G 8.95 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 0.00 0.00 0.00 40 I 7.74 5.34 1.71 0.00 0.00 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 1.22 0.43 0.72 0.00 0.00 41 N 8.55 5.41 0.00 2.72 2.91 0.00 0.00 5.67 7.95 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 42 V 8.67 4.60 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 0.70 0.00 0.00 1.06 0.00 0.00 43 V 8.83 4.22 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 0.84 0.00 0.00 0.91 0.00 0.00 44 Y 9.22 4.75 0.00 3.29 3.23 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 45 T 7.95 4.19 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 1.17 0.00 0.00 46 P 0.00 3.60 0.00 1.98 1.95 0.00 3.54 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.21 0.00 47 P 0.00 4.01 0.00 2.04 1.01 0.00 2.20 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.22 0.00 48 Q 8.50 4.20 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.09 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 49 S 8.14 4.44 0.00 4.11 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 50 F 9.04 4.24 0.00 2.99 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 51 Q 8.10 3.53 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.51 0.00 52 S 7.92 4.85 0.00 3.97 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.39 4.18 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 5.03 0.00 1.92 2.02 0.00 3.66 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.86 0.00 55 R 8.60 4.68 0.00 1.79 1.65 0.00 2.78 0.00 0.00 3.02 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.34 0.00 56 V 8.20 4.56 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 0.75 0.00 0.00 0.92 0.00 0.00 57 Y 9.12 4.77 0.00 2.82 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 58 R 8.73 4.47 0.00 1.81 1.88 0.00 3.26 0.00 0.00 3.31 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 59 V 9.09 3.77 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.92 0.00 0.00 60 N 8.76 4.39 0.00 2.56 2.84 0.00 0.00 6.91 7.51 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 61 G 7.02 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 62 L 8.08 5.20 0.00 1.56 1.52 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 63 S 8.80 4.52 0.00 3.96 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 64 R 8.50 4.28 0.00 1.79 2.00 0.00 3.19 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 65 A 7.55 4.65 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 4.43 0.00 2.17 1.93 0.00 3.53 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.65 0.00 67 A 8.48 4.09 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 68 S 7.98 4.59 0.00 3.99 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 69 S 7.94 4.56 0.00 4.00 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 70 E 7.97 4.40 0.00 1.95 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 0.00 2.41 2.27 0.00 71 T 8.52 5.33 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 1.26 0.00 0.00 72 F 8.60 5.04 0.00 3.00 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 73 E 8.92 4.76 0.00 2.02 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 2.27 2.29 0.00 74 H 9.10 4.71 0.00 3.27 3.04 0.00 5.94 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 9.39 4.41 0.00 2.79 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.33 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 77 K 7.77 4.44 0.00 1.74 1.69 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.62 1.53 7.81 78 K 8.64 4.71 0.00 1.60 1.74 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.44 7.81 79 V 7.94 4.33 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 0.71 0.00 0.00 0.20 0.00 0.00 80 T 8.17 5.25 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 81 I 8.83 4.13 2.14 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.48 1.15 0.00 0.00 82 A 8.33 4.17 1.38 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 83 S 8.02 4.24 0.00 4.06 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 84 Y 8.42 4.15 0.00 3.34 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.76 4.30 0.00 3.53 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 86 H 8.65 4.42 0.00 3.35 3.55 0.00 5.63 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 S 8.41 4.09 0.00 3.91 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 88 R 7.32 3.73 0.00 1.60 0.96 0.00 2.59 0.00 0.00 2.57 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.50 0.00 89 N 8.61 4.11 0.00 2.81 2.93 0.00 0.00 6.82 6.83 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 90 Y 8.14 4.59 0.00 3.27 3.29 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 91 P 0.00 4.51 0.00 2.07 2.07 0.00 3.57 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.91 0.00 92 L 8.25 3.90 0.00 1.59 1.58 0.77 0.98 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 93 K 7.63 3.78 0.00 0.79 1.01 0.00 1.44 0.00 0.00 1.60 0.00 0.00 2.68 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.11 1.06 7.81 94 F 6.93 4.94 0.00 3.13 3.14 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 95 P 0.00 4.46 0.00 2.24 2.32 0.00 3.67 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.91 0.00 96 Q 7.87 4.16 0.00 1.98 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.97 0.00 0.00 0.00 0.00 0.00 2.19 2.17 0.00 97 L 7.51 4.16 0.00 1.65 1.58 0.73 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 98 H 9.03 4.03 0.00 2.95 3.46 0.00 5.90 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 C 8.46 4.31 0.00 2.87 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 0.00 100 L 8.96 4.27 0.00 1.74 1.60 0.97 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 101 N 9.06 4.71 0.00 2.78 2.70 0.00 0.00 6.50 7.23 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 0.00 102 V 8.03 4.01 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 0.77 0.00 0.00 0.63 0.00 0.00 103 G 10.96 4.10 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 0.00 0.00 0.00 104 S 7.79 4.63 0.00 3.79 3.78 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 0.00 105 S 8.60 4.29 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 0.00 106 I 7.64 4.12 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 1.29 0.64 0.90 0.00 0.00 107 K 7.46 4.39 0.00 1.73 1.66 0.00 1.69 0.00 0.00 1.79 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.38 7.81 108 S 8.42 5.02 0.00 3.75 3.72 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 0.00 109 I 8.43 4.39 1.58 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.37 0.72 0.00 0.00 110 L 8.33 5.02 0.00 1.49 1.62 0.87 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.27 4.89 0.00 1.42 1.46 0.16 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.47 0.00 2.13 2.03 0.00 3.67 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.86 0.00 113 I 8.49 3.89 1.88 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 1.32 1.34 0.91 0.00 0.00 114 E 8.45 4.03 0.00 2.35 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 0.00 2.50 2.58 0.00 115 L 8.46 4.44 0.00 1.81 1.49 0.84 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 116 C 7.92 5.08 0.00 3.05 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 0.00 117 S 8.50 5.09 0.00 3.86 3.78 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 0.00 118 I 8.56 4.13 1.42 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.67 0.46 0.00 0.00 119 E 8.51 4.44 0.00 1.96 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 2.35 2.23 0.00 120 E 8.46 3.98 0.00 2.23 2.42 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 2.28 2.26 0.00 121 G 7.87 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 0.00 122 Q 8.23 3.97 0.00 2.33 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.84 0.00 0.00 0.00 0.00 0.00 2.18 2.19 0.00 123 A 7.27 4.15 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00