NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2133 8.3144 121.7896 55.7226 32.5674 174.9483 2 E 3.7027 8.8264 127.0186 55.1328 29.9982 175.9991 3 S 4.4445 8.8797 122.5433 57.6909 66.4983 174.5967 4 A 3.9777 8.5935 124.9692 55.4962 18.1442 179.9206 5 A 3.9439 8.0548 118.3537 55.4829 18.5174 179.6330 6 A 4.0218 8.0026 118.9733 55.0142 18.3304 179.7737 7 K 4.1316 8.4427 118.6139 59.6103 32.2921 178.8001 8 F 4.1098 8.3675 120.9679 61.3342 39.3041 176.8913 9 E 3.9795 8.2525 117.7686 59.4005 29.0631 179.3964 10 R 3.8111 7.7643 117.3294 59.6824 30.3068 178.3454 11 Q 4.0336 8.0002 116.4426 57.9253 28.8270 176.4402 12 H 4.6984 8.1093 113.4644 54.9906 30.5277 172.9361 13 M 4.6107 7.8450 119.9302 53.6572 34.2213 176.4211 14 D 4.7513 8.2268 122.4008 53.0963 41.6575 174.5733 15 S 4.4759 7.8923 114.7265 59.3318 64.8364 175.9878 16 S 4.6478 7.3721 117.9883 55.0657 61.6582 172.8927 17 T 4.2159 7.0047 116.9576 63.0653 72.1616 174.4034 18 S 4.4952 8.3864 119.8233 61.4141 64.7126 179.2397 19 A 3.3671 8.9951 123.4537 54.3637 19.2657 178.0441 20 A 4.4260 9.0769 121.9935 51.9187 19.4380 179.0563 21 S 4.4369 8.3288 113.9908 58.6524 63.3596 175.3610 22 S 4.2383 8.5208 118.3320 61.2603 61.9073 176.4095 23 S 4.2939 8.0022 117.0313 60.5807 62.8873 174.8757 24 N 4.6890 8.0316 118.6968 53.7054 38.9160 175.5051 25 Y 4.0465 7.8010 120.8474 62.0870 38.7977 177.5293 26 C 4.1485 8.4216 116.8595 60.0762 38.4718 175.9241 27 N 4.4617 8.1718 117.4685 56.4776 38.1776 177.3441 28 L 3.9687 7.7612 120.1579 57.8537 41.6953 179.4999 29 M 3.7015 7.9297 119.0835 58.4927 31.7699 178.7207 30 M 4.1324 8.2222 119.2393 58.2744 32.0828 178.5383 31 C 4.1583 7.6502 119.6539 62.0899 31.6308 175.1879 32 C 4.0677 8.1503 119.7404 62.3804 31.2349 174.1398 33 R 4.3142 8.4003 116.7738 55.3286 29.9488 176.7230 34 K 3.8337 7.5589 115.3271 58.5963 29.8732 175.3172 35 M 4.7520 8.7010 114.2109 55.2397 32.9126 177.2025 36 T 5.1278 7.5610 107.5930 60.5670 69.3065 173.7708 37 Q 4.7791 8.1922 120.8841 56.5685 30.8934 177.1006 38 G 3.9030 10.2552 112.7707 45.2687 0.0000 172.9375 39 K 3.4130 6.6849 116.9572 55.6840 35.6142 172.7912 40 C 4.9263 8.6502 122.4954 55.4347 41.0353 173.5019 41 K 4.1415 8.9140 127.5461 55.7105 32.2423 174.4413 42 P 4.5472 0.0000 0.0000 65.6411 32.1067 176.4628 43 V 5.0620 7.5675 117.5645 61.0902 34.8539 174.0603 44 N 4.7251 9.1049 124.0351 52.7763 42.7604 172.9205 45 T 4.8276 7.8207 121.2704 61.5991 71.2239 173.3611 46 F 4.7831 8.9304 124.2690 55.6155 42.0845 174.4484 47 V 4.5305 8.4084 122.5190 61.8157 32.6827 175.0144 48 H 4.8251 8.8514 123.9335 56.1828 29.5370 175.2335 49 E 4.3122 8.0854 118.4016 55.3336 30.5811 176.8384 50 S 4.4034 8.2641 114.5114 58.0168 65.1802 174.6716 51 L 3.9184 8.5303 124.5802 58.4136 41.7568 179.1003 52 A 3.9630 8.0166 119.9714 55.4577 18.1176 179.0793 53 D 4.3122 7.9662 115.8152 57.5917 41.2190 179.0683 54 V 3.7566 7.9752 118.6260 65.9142 31.5522 178.1142 55 K 3.9039 8.6548 118.3963 59.4784 32.0852 178.9681 56 A 4.0542 8.4160 120.7472 54.4305 18.2249 179.6548 57 V 3.8027 7.7903 117.1793 65.9505 31.3634 177.0609 58 C 3.8112 8.0721 115.4852 58.1070 40.1110 173.9592 59 S 4.7621 7.6599 115.1290 58.2591 63.9474 174.8508 60 Q 4.6401 7.5948 123.0097 57.0868 29.2862 177.5878 61 K 4.2548 8.7346 128.4673 56.9181 32.9749 175.9624 62 K 4.0525 8.5600 127.4326 56.5223 32.7267 176.6308 63 V 4.4784 7.8782 116.1972 60.1914 36.1721 174.8627 64 T 4.1915 8.2314 118.3633 63.1386 69.5721 175.8432 65 C 4.6126 8.4400 121.3147 56.2759 41.0812 175.4349 66 K 3.8281 8.9671 122.1361 59.4465 31.6881 177.9316 67 D 4.6307 8.0866 116.2981 53.0492 39.3437 177.5549 68 G 3.9552 7.9494 108.2181 46.0706 0.0000 174.6924 69 Q 4.1840 8.1102 119.2674 56.2438 29.1829 176.8079 70 T 4.4026 8.2578 108.9942 61.8789 69.9172 174.0642 71 N 4.9698 7.8399 120.4072 53.8561 38.3355 175.0990 72 C 5.4914 7.9871 115.8526 56.9435 44.4314 172.9698 73 Y 5.2629 9.2230 119.0587 56.3296 42.3241 173.8671 74 Q 5.2309 9.1999 124.3061 54.0109 32.2412 174.8866 75 S 4.7190 8.7872 121.7870 58.0830 63.7165 175.6491 76 K 3.8671 9.2847 123.1189 59.0968 32.5821 177.1004 77 S 4.8825 7.1274 111.9765 56.1155 65.6697 173.5531 78 T 4.1589 8.0280 112.0136 62.1479 69.9511 173.5754 79 M 5.0207 8.9856 121.1090 53.5004 36.9869 174.9907 80 R 4.6645 9.3747 122.7387 56.3359 31.3788 175.8933 81 I 5.1246 9.0575 117.0334 59.5724 42.1290 174.0092 82 T 5.1120 8.8981 118.5525 61.9320 72.3423 172.8961 83 D 5.0286 9.2019 126.5084 53.1597 42.9866 174.6893 84 C 5.4929 9.3521 121.7730 55.1783 44.1132 172.9360 85 R 5.1029 8.7919 123.9695 54.0286 32.6592 174.0821 86 E 3.9075 9.3312 128.5795 57.1847 30.1625 176.7746 87 T 4.2707 8.4535 117.0500 60.4897 70.5272 175.9108 88 G 3.7458 8.8535 111.6705 48.7081 0.0000 174.3070 89 S 4.5882 7.8756 112.2077 58.0052 63.3486 173.4014 90 S 4.4573 7.7153 115.4890 57.5780 63.2695 173.7671 91 K 4.3697 8.2536 126.9374 54.8191 34.1617 174.6972 92 Y 4.4586 8.7712 127.7354 57.9470 38.9852 173.7301 93 P 3.8638 0.0000 0.0000 62.7521 32.4282 176.5416 94 N 4.8929 8.0175 116.2403 52.4638 37.8447 173.5476 95 C 4.2723 8.0171 115.7994 56.9253 41.1188 173.4877 96 A 5.1228 8.5371 125.8287 50.3448 21.5565 174.5002 97 Y 5.1479 10.6134 119.3035 56.0108 42.3954 174.7656 98 K 4.6284 9.0134 122.6774 55.3056 34.4464 174.9711 99 T 5.1518 8.5813 123.7336 62.4345 70.4385 174.2116 100 T 4.5855 8.6488 122.1500 62.0197 72.4206 172.9374 101 Q 4.8633 8.7654 126.0138 55.2354 30.0288 175.6941 102 V 4.5758 8.6361 115.6521 60.1325 37.2010 173.7515 103 E 5.0602 8.6975 120.5230 54.9290 31.9838 175.4162 104 K 4.7092 8.6733 122.7984 54.7922 37.7403 175.4423 105 H 4.8456 9.0693 118.8465 55.8742 29.9151 175.1418 106 I 4.8971 8.6326 115.4777 59.2125 41.0818 174.4309 107 I 4.9766 8.3857 123.8431 59.7632 40.1117 175.1345 108 V 4.7880 8.6482 119.5674 59.3496 35.8765 174.4227 109 A 5.2256 8.9154 124.5535 50.8677 21.0534 175.5078 110 C 5.4265 8.9352 118.8981 55.5257 38.3131 173.4806 111 G 3.9406 9.1788 108.3965 46.4694 0.0000 173.1749 112 G 4.3440 8.8345 108.9041 44.6186 0.0000 172.8603 113 K 4.4741 8.1462 117.0080 53.5670 34.6659 175.1145 114 P 4.3584 0.0000 0.0000 62.1007 32.0241 175.9373 115 S 4.5101 8.4250 114.3968 58.8469 62.5350 173.4634 116 V 4.5932 8.3046 120.1097 58.3830 35.7340 173.6283 117 P 4.7409 0.0000 0.0000 63.5203 31.3609 176.6787 118 V 4.5291 9.1394 115.3620 60.9962 33.9499 175.1369 119 H 4.7496 7.9503 119.4197 55.0701 33.3479 171.7255 120 F 4.5377 8.6712 128.2898 57.3772 39.5739 174.3253 121 D 4.5997 8.5958 126.5198 55.7533 42.3956 175.5628 122 A 4.6175 6.3648 117.8066 51.8121 22.4697 174.8148 123 S 5.2136 8.8713 112.6710 56.6793 66.2714 174.7680 124 V 4.1424 9.0769 121.2874 62.0444 31.5322 175.1567 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 K 8.31 4.21 0.00 1.74 1.83 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.39 7.81 2 E 8.83 3.70 0.00 2.05 1.89 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 2.32 2.37 0.00 3 S 8.88 4.44 0.00 4.10 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 A 8.59 3.98 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 5 A 8.05 3.94 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 6 A 8.00 4.02 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 7 K 8.44 4.13 0.00 1.96 2.04 0.00 1.66 0.00 0.00 1.61 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.51 7.81 8 F 8.37 4.11 0.00 3.18 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 9 E 8.25 3.98 0.00 2.27 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 0.00 2.49 2.67 0.00 10 R 7.76 3.81 0.00 1.79 2.05 0.00 3.23 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 11 Q 8.00 4.03 0.00 1.62 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.49 0.00 0.00 0.00 0.00 0.00 2.29 2.51 0.00 12 H 8.11 4.70 0.00 1.85 2.77 0.00 5.61 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 7.84 4.61 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.48 0.00 14 D 8.23 4.75 0.00 2.52 2.49 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 15 S 7.89 4.48 0.00 4.02 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.37 4.65 0.00 3.86 3.85 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 17 T 7.00 4.22 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 1.45 0.00 0.00 18 S 8.39 4.50 0.00 4.01 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 19 A 9.00 3.37 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 20 A 9.08 4.43 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 21 S 8.33 4.44 0.00 3.81 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 22 S 8.52 4.24 0.00 3.92 3.84 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 23 S 8.00 4.29 0.00 3.93 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 24 N 8.03 4.69 0.00 2.87 2.96 0.00 0.00 6.61 7.72 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 25 Y 7.80 4.05 0.00 3.08 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 C 8.42 4.15 0.00 3.16 3.16 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 0.00 0.00 0.00 0.00 27 N 8.17 4.46 0.00 3.06 2.93 0.00 0.00 7.14 6.74 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 28 L 7.76 3.97 0.00 1.66 1.58 0.88 0.89 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 29 M 7.93 3.70 0.00 0.86 1.22 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.61 0.00 30 M 8.22 4.13 0.00 1.61 1.76 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.34 0.00 31 C 7.65 4.16 0.00 3.07 3.11 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 32 C 8.15 4.07 0.00 2.88 2.91 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 33 R 8.40 4.31 0.00 1.97 2.00 0.00 3.57 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.91 0.00 34 K 7.56 3.83 0.00 1.89 1.85 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.44 7.81 35 M 8.70 4.75 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.40 0.00 36 T 7.56 5.13 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 37 Q 8.19 4.78 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.61 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 38 G 10.26 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 39 K 6.68 3.41 0.00 1.37 1.38 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.10 1.32 7.81 40 C 8.65 4.93 0.00 3.11 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 41 K 8.91 4.14 0.00 1.82 1.79 0.00 1.78 0.00 0.00 1.68 0.00 0.00 3.20 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.59 1.39 7.81 42 P 0.00 4.55 0.00 2.18 2.32 0.00 3.72 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.99 0.00 43 V 7.57 5.06 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 0.81 0.00 0.00 0.97 0.00 0.00 44 N 9.10 4.73 0.00 2.65 2.25 0.00 0.00 6.85 7.45 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 45 T 7.82 4.83 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 0.77 0.00 0.00 46 F 8.93 4.78 0.00 2.97 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 47 V 8.41 4.53 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 0.87 0.00 0.00 1.06 0.00 0.00 48 H 8.85 4.83 0.00 3.18 3.29 0.00 5.71 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.09 4.31 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 2.27 0.00 50 S 8.26 4.40 0.00 4.06 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.53 3.92 0.00 1.79 1.73 0.94 0.92 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 52 A 8.02 3.96 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 53 D 7.97 4.31 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 54 V 7.98 3.76 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 1.06 0.00 0.00 55 K 8.65 3.90 0.00 2.02 1.83 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.46 7.81 56 A 8.42 4.05 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 57 V 7.79 3.80 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 1.09 0.00 0.00 1.01 0.00 0.00 58 C 8.07 3.81 0.00 2.89 2.76 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 59 S 7.66 4.76 0.00 3.93 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Q 7.59 4.64 0.00 2.26 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.90 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 61 K 8.73 4.25 0.00 1.90 1.83 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.39 7.81 62 K 8.56 4.05 0.00 1.53 1.48 0.00 1.37 0.00 0.00 0.61 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.09 1.28 7.81 63 V 7.88 4.48 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 0.61 0.00 0.00 0.83 0.00 0.00 64 T 8.23 4.19 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 1.24 0.00 0.00 65 C 8.44 4.61 0.00 3.20 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 66 K 8.97 3.83 0.00 1.74 1.88 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.48 7.81 67 D 8.09 4.63 0.00 2.76 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 68 G 7.95 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 8.11 4.18 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.62 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 70 T 8.26 4.40 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 1.18 0.00 0.00 71 N 7.84 4.97 0.00 3.04 3.13 0.00 0.00 6.13 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 72 C 7.99 5.49 0.00 2.93 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 73 Y 9.22 5.26 0.00 2.84 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 74 Q 9.20 5.23 0.00 2.01 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.00 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 75 S 8.79 4.72 0.00 4.00 4.01 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 0.00 0.00 0.00 0.00 76 K 9.28 3.87 0.00 1.91 2.01 0.00 1.57 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.51 7.81 77 S 7.13 4.88 0.00 3.92 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 78 T 8.03 4.16 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 1.02 0.00 0.00 79 M 8.99 5.02 0.00 1.92 1.98 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.53 0.00 80 R 9.37 4.66 0.00 1.80 1.88 0.00 3.20 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.96 0.00 81 I 9.06 5.12 1.93 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 1.43 0.84 1.05 0.00 0.00 82 T 8.90 5.11 4.47 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 1.40 0.00 0.00 83 D 9.20 5.03 0.00 2.83 2.62 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 84 C 9.35 5.49 0.00 2.88 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 85 R 8.79 5.10 0.00 1.96 1.81 0.00 3.15 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 86 E 9.33 3.91 0.00 1.84 1.79 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 2.19 1.96 0.00 87 T 8.45 4.27 4.22 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 1.21 0.00 0.00 88 G 8.85 3.75 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 0.00 89 S 7.88 4.59 0.00 3.97 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 90 S 7.72 4.46 0.00 3.84 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 91 K 8.25 4.37 0.00 1.82 1.59 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.52 7.81 92 Y 8.77 4.46 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 93 P 0.00 3.86 0.00 1.78 0.98 0.00 3.56 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 94 N 8.02 4.89 0.00 2.84 2.74 0.00 0.00 7.05 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 95 C 8.02 4.27 0.00 3.16 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 96 A 8.54 5.12 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 97 Y 10.61 5.15 0.00 2.96 2.91 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 98 K 9.01 4.63 0.00 1.87 1.83 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.45 7.81 99 T 8.58 5.15 4.33 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 1.32 0.00 0.00 100 T 8.65 4.59 4.28 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 1.23 0.00 0.00 101 Q 8.77 4.86 0.00 1.90 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.79 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 102 V 8.64 4.58 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 0.74 0.00 0.00 0.96 0.00 0.00 103 E 8.70 5.06 0.00 1.79 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 104 K 8.67 4.71 0.00 1.74 1.88 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.43 7.81 105 H 9.07 4.85 0.00 3.29 3.20 0.00 5.57 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.63 4.90 1.68 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 1.27 0.87 1.16 0.00 0.00 107 I 8.39 4.98 1.69 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.75 0.87 0.00 0.00 108 V 8.65 4.79 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 0.56 0.00 0.00 0.93 0.00 0.00 109 A 8.92 5.23 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 C 8.94 5.43 0.00 2.76 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 0.00 111 G 9.18 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 0.00 0.00 0.00 112 G 8.83 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 K 8.15 4.47 0.00 1.69 1.69 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.33 7.81 114 P 0.00 4.36 0.00 2.15 2.04 0.00 3.76 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 115 S 8.43 4.51 0.00 3.85 3.74 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 0.00 116 V 8.30 4.59 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 0.70 0.00 0.00 0.98 0.00 0.00 117 P 0.00 4.74 0.00 1.96 2.02 0.00 3.61 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 2.03 2.10 0.00 118 V 9.14 4.53 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 0.72 0.00 0.00 1.02 0.00 0.00 119 H 7.95 4.75 0.00 3.23 3.12 0.00 5.85 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.67 4.54 0.00 3.04 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 0.00 121 D 8.60 4.60 0.00 2.59 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 0.00 122 A 6.36 4.62 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 0.00 123 S 8.87 5.21 0.00 3.95 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 0.00 124 V 9.08 4.14 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 0.77 0.00 0.00 0.94 0.00 0.00