NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.7119 7.9800 110.3349 62.1521 69.6770 174.1859 4 S 4.0835 7.6112 117.7100 59.1130 63.0993 171.2866 5 E 4.0236 8.8754 121.0764 59.1389 30.1325 178.0551 6 L 4.2045 7.5861 119.1805 56.9993 41.5531 179.3234 7 L 4.0094 7.6907 119.1484 57.5950 41.7066 178.9422 8 K 3.9260 7.7222 119.5816 59.9821 32.0259 178.5775 9 H 4.4760 8.3017 116.3262 58.5316 28.5579 178.0179 10 I 3.7542 7.8222 122.0324 64.3591 36.9157 177.5252 11 Y 4.2548 8.3558 120.6665 60.9727 38.6253 177.5983 12 D 4.4214 8.6578 120.2047 57.8871 41.0443 179.3240 13 I 3.7948 8.1250 118.8384 63.8753 37.8579 177.6510 14 N 4.2391 8.2496 117.5370 56.1114 38.3739 176.9335 15 L 3.7494 7.7667 121.7744 58.2038 42.1674 178.5866 16 S 4.0498 7.8020 113.0199 61.8338 62.2276 175.5326 17 Y 3.9219 8.4479 121.9982 60.6725 38.6125 177.6582 18 L 4.0677 8.3939 119.9634 58.1831 41.8563 179.6799 19 L 3.9621 8.1957 118.8276 57.6494 41.5604 179.4353 20 L 3.8012 7.8344 119.8979 58.1511 42.0902 178.7938 21 A 3.7839 8.0773 120.9773 55.0390 18.1517 179.4857 22 Q 3.8002 8.0197 117.9332 59.4983 29.1647 178.1700 23 R 3.8980 7.8645 119.6679 59.3779 29.8927 178.4933 24 L 4.0061 7.8045 118.5509 57.8834 41.6549 179.3113 25 I 3.7315 7.5430 118.0753 64.1936 36.9838 178.5174 26 V 3.7327 7.5646 118.5822 65.9936 31.5633 177.7203 27 Q 4.3030 7.7930 117.9421 56.8731 29.1338 175.2412 28 D 4.9685 7.5692 122.1170 52.6408 44.7393 176.5855 29 K 3.8527 8.2599 128.2361 59.5010 32.3950 177.8972 30 A 4.0057 8.0950 120.3615 55.6196 18.1894 179.7184 31 S 4.1501 8.2040 112.8718 61.5824 62.8550 176.5719 32 A 3.9955 8.2699 123.7066 55.6749 18.0194 179.6631 33 M 4.0569 8.4284 117.3160 58.2353 31.7621 178.7624 34 F 4.0991 7.8453 119.6408 61.4210 39.7191 177.1867 35 R 3.9088 8.1207 116.3918 59.3251 30.0097 178.9020 36 L 4.1441 8.1897 117.8735 55.1672 42.0335 177.0694 37 G 3.6681 8.3808 106.7973 46.6699 0.0000 172.7747 38 I 4.6302 7.4493 110.2675 57.9356 41.2333 174.6727 39 N 4.7610 8.2176 118.9614 51.5982 40.1313 175.4952 40 E 3.9559 8.5628 120.3073 59.4298 29.4850 178.2913 41 E 3.9015 8.2210 118.0346 59.6252 29.5731 178.4002 42 M 3.9261 8.9986 118.0449 58.9592 32.2260 177.8706 43 A 3.9907 8.3707 120.8496 55.7177 18.2742 179.6930 44 T 3.8024 7.9931 112.9826 67.0612 68.8856 176.5742 45 T 4.0245 8.1174 117.7192 66.7217 68.6252 176.5096 46 L 3.9518 8.1347 120.4508 57.9684 41.5351 179.4908 47 A 4.0486 7.9744 118.7904 54.9327 18.1793 179.4602 48 A 4.0178 7.8686 118.7084 55.0099 19.0324 177.5156 49 L 3.8267 6.3200 115.4436 53.6504 43.0279 177.0361 50 T 4.5985 7.6619 111.0135 60.0724 70.9920 175.3244 51 L 3.4383 7.3898 122.8915 56.3646 43.4342 176.8866 52 P 4.2806 0.0000 0.0000 66.1757 31.5349 178.6696 53 Q 4.0287 8.7499 116.8283 59.1501 28.6369 178.6164 54 M 4.0798 7.8908 119.3151 58.4030 32.0255 178.7696 55 V 3.7338 8.3506 118.7868 66.0300 31.4541 178.2855 56 K 4.1197 7.8194 117.3603 59.2044 31.9241 178.9959 57 L 4.1866 7.7782 118.5485 57.2732 41.9390 178.9327 58 A 4.1526 8.5388 121.3246 55.0317 18.2516 178.9780 59 E 4.4350 8.6667 114.4067 57.6168 28.8219 178.8334 60 T 3.8369 7.6110 117.9171 64.9519 68.2056 175.0151 61 N 4.7428 8.1900 115.7169 53.6005 36.7574 173.6523 62 Q 4.6213 7.3803 115.3185 54.0747 33.0880 174.4833 63 L 4.1160 8.2838 120.3653 55.1556 42.0902 177.6595 64 V 4.0165 8.2171 115.6119 61.5132 31.7630 175.5547 65 C 4.6961 7.4760 116.7815 58.1084 31.4020 172.9705 66 H 5.0885 8.3012 118.9677 53.6651 31.0346 174.1602 67 F 4.6743 8.5946 123.4091 58.2715 39.8911 175.8273 68 R 3.8888 7.9076 126.4733 58.6991 30.2895 177.4024 69 F 4.2346 6.9309 115.5105 56.9683 39.8449 174.4615 70 D 4.7665 8.7411 122.6977 54.5019 41.1926 176.5922 71 S 4.5185 7.9097 115.8564 56.7890 63.1067 174.0675 72 H 4.2787 8.9427 124.6275 58.8904 27.9549 177.3502 73 Q 3.9403 7.7117 120.3522 59.2085 28.4323 178.7145 74 T 3.8734 7.8720 116.8268 66.7563 68.5688 176.6754 75 I 3.4950 7.5970 114.3667 64.0673 37.7375 178.1568 76 T 3.8319 8.0033 117.5529 66.3733 68.0417 176.3412 77 Q 3.8897 8.0612 120.5505 59.3150 29.2495 178.1339 78 L 4.0441 8.0215 118.9384 57.0323 41.6276 178.5611 79 T 4.2935 7.6468 108.2253 61.5402 70.3033 175.0409 80 Q 3.8417 7.3525 121.5678 56.1201 29.4414 176.2011 81 D 4.3743 8.7488 123.8866 55.1458 41.1796 176.0181 82 S 4.7421 8.2381 117.4853 55.7381 65.8079 172.7507 83 R 3.3645 8.5224 119.3475 60.2255 29.6934 177.5486 84 V 3.9879 8.0525 130.2765 61.9733 31.6192 175.7368 85 D 4.4114 8.6941 128.2787 57.4666 40.7591 178.1211 86 D 4.4287 8.2126 118.7217 57.7348 40.7763 178.8223 87 L 4.2658 7.7923 118.4125 56.9363 41.5125 178.9320 88 Q 4.0489 7.8825 118.9427 58.6678 28.8927 177.5766 89 Q 4.1929 8.0022 119.0532 58.8960 28.9404 178.1999 90 I 3.8001 7.5048 119.5889 64.3185 37.0686 177.7167 91 H 4.1044 8.4777 119.6335 59.8057 29.5644 177.2304 92 T 4.1282 7.7324 117.0793 66.6143 68.1912 176.8172 93 G 3.5816 8.0004 106.9426 47.9277 0.0000 175.3568 94 I 3.7492 8.1818 123.4250 64.4177 37.1594 178.4367 95 M 4.0789 8.5796 119.4766 58.3629 31.8773 178.7682 96 L 3.6108 8.1734 119.3773 57.8642 41.7579 179.4857 97 S 3.9625 8.6905 115.6192 62.0060 62.8119 176.6163 98 T 3.8669 8.3804 118.4008 66.9829 68.2412 176.2452 99 R 3.8069 7.9626 119.9738 59.4163 29.8688 178.1255 100 L 3.8422 7.6042 118.6390 58.1812 42.3114 178.4113 101 L 4.0537 8.3535 120.5745 58.2676 42.2634 178.3607 102 N 4.3500 8.3793 116.3390 56.7328 38.3808 176.6998 103 D 4.6143 8.2058 118.4995 55.8435 41.2040 178.3098 104 V 3.9854 7.9740 119.0842 62.9990 31.8406 176.3009 105 N 4.8401 7.3594 114.9394 53.0339 38.5670 175.0763 106 Q 4.2145 7.8538 123.3376 56.1200 29.5001 175.3487 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 3 T 7.98 4.71 4.32 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 1.21 0.00 0.00 4 S 7.61 4.08 0.00 3.98 3.88 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 0.00 0.00 0.00 5 E 8.88 4.02 0.00 2.19 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 2.43 2.38 0.00 6 L 7.59 4.20 0.00 1.88 1.78 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 7 L 7.69 4.01 0.00 1.88 1.70 0.93 0.93 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 8 K 7.72 3.93 0.00 1.74 1.87 0.00 1.57 0.00 0.00 1.46 0.00 0.00 2.92 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.42 1.46 7.81 9 H 8.30 4.48 0.00 3.27 3.35 0.00 5.67 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 7.82 3.75 2.06 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 1.43 1.00 0.96 0.00 0.00 11 Y 8.36 4.25 0.00 3.03 3.09 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 12 D 8.66 4.42 0.00 2.96 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 13 I 8.13 3.79 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.34 1.01 0.00 0.00 14 N 8.25 4.24 0.00 2.93 2.78 0.00 0.00 6.58 6.36 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 15 L 7.77 3.75 0.00 1.02 1.26 0.82 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 16 S 7.80 4.05 0.00 4.05 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 17 Y 8.45 3.92 0.00 3.07 3.08 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 18 L 8.39 4.07 0.00 1.88 1.77 0.94 1.02 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 19 L 8.20 3.96 0.00 1.63 1.69 0.89 0.44 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 20 L 7.83 3.80 0.00 1.73 1.61 0.86 0.96 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 21 A 8.08 3.78 1.04 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 22 Q 8.02 3.80 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.67 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 23 R 7.86 3.90 0.00 2.02 1.89 0.00 3.12 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 24 L 7.80 4.01 0.00 1.85 1.65 0.86 0.78 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 25 I 7.54 3.73 1.85 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 1.39 0.66 0.97 0.00 0.00 26 V 7.56 3.73 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 0.78 0.00 0.00 0.96 0.00 0.00 27 Q 7.79 4.30 0.00 2.14 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.86 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 28 D 7.57 4.97 0.00 2.79 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.26 3.85 0.00 1.86 1.79 0.00 1.79 0.00 0.00 1.82 0.00 0.00 3.18 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.52 7.81 30 A 8.09 4.01 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 31 S 8.20 4.15 0.00 3.98 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 32 A 8.27 4.00 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 33 M 8.43 4.06 0.00 2.23 2.36 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.55 0.00 34 F 7.85 4.10 0.00 3.04 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 35 R 8.12 3.91 0.00 1.81 1.96 0.00 3.24 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.97 0.00 36 L 8.19 4.14 0.00 1.64 1.74 0.84 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.38 3.67 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 0.00 0.00 0.00 38 I 7.45 4.63 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 1.48 0.78 0.99 0.00 0.00 39 N 8.22 4.76 0.00 3.01 3.00 0.00 0.00 5.55 7.66 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 40 E 8.56 3.96 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 41 E 8.22 3.90 0.00 2.21 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 42 M 9.00 3.93 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.65 0.00 43 A 8.37 3.99 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 44 T 7.99 3.80 4.42 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 0.00 0.00 1.21 0.00 0.00 45 T 8.12 4.02 4.38 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 1.22 0.00 0.00 46 L 8.13 3.95 0.00 1.70 1.74 1.01 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 47 A 7.97 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 48 A 7.87 4.02 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 6.32 3.83 0.00 1.80 1.62 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.66 4.60 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 51 L 7.39 3.44 0.00 1.81 1.56 0.94 1.00 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 52 P 0.00 4.28 0.00 2.20 2.14 0.00 3.67 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 53 Q 8.75 4.03 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 54 M 7.89 4.08 0.00 2.05 2.25 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 2.70 2.61 0.00 55 V 8.35 3.73 2.28 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 1.36 0.00 0.00 1.06 0.00 0.00 56 K 7.82 4.12 0.00 1.97 1.88 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.79 7.81 57 L 7.78 4.19 0.00 1.94 1.73 0.93 0.76 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 58 A 8.54 4.15 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.67 4.43 0.00 2.07 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 0.00 2.45 2.84 0.00 60 T 7.61 3.84 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 1.25 0.00 0.00 61 N 8.19 4.74 0.00 2.84 2.97 0.00 0.00 6.76 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 7.38 4.62 0.00 1.86 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.47 6.83 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 63 L 8.28 4.12 0.00 1.60 1.56 0.92 0.92 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 64 V 8.22 4.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.72 0.00 0.00 65 C 7.48 4.70 0.00 2.71 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 66 H 8.30 5.09 0.00 3.13 3.20 0.00 5.70 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 67 F 8.59 4.67 0.00 2.90 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 68 R 7.91 3.89 0.00 1.31 1.48 0.00 3.15 0.00 0.00 3.02 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 69 F 6.93 4.23 0.00 2.90 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 70 D 8.74 4.77 0.00 2.77 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 71 S 7.91 4.52 0.00 3.89 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 72 H 8.94 4.28 0.00 3.46 3.60 0.00 5.72 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 Q 7.71 3.94 0.00 1.99 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.91 0.00 0.00 0.00 0.00 0.00 2.16 2.33 0.00 74 T 7.87 3.87 4.42 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 0.00 0.00 1.38 0.00 0.00 75 I 7.60 3.50 1.76 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.94 0.52 0.00 0.00 76 T 8.00 3.83 4.38 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 1.21 0.00 0.00 77 Q 8.06 3.89 0.00 2.07 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.01 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 78 L 8.02 4.04 0.00 1.68 1.61 0.84 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 79 T 7.65 4.29 4.21 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 1.15 0.00 0.00 80 Q 7.35 3.84 0.00 2.27 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 81 D 8.75 4.37 0.00 2.70 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 S 8.24 4.74 0.00 3.77 3.86 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 83 R 8.52 3.36 0.00 1.84 1.81 0.00 3.26 0.00 0.00 3.16 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 84 V 8.05 3.99 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 1.01 0.00 0.00 0.94 0.00 0.00 85 D 8.69 4.41 0.00 2.73 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 86 D 8.21 4.43 0.00 2.69 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 87 L 7.79 4.27 0.00 1.66 1.72 0.93 1.09 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 88 Q 7.88 4.05 0.00 2.09 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.99 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 89 Q 8.00 4.19 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.68 0.00 0.00 0.00 0.00 0.00 2.47 2.70 0.00 90 I 7.50 3.80 2.04 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 1.44 0.82 0.94 0.00 0.00 91 H 8.48 4.10 0.00 3.39 3.47 0.00 5.60 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 T 7.73 4.13 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 1.40 0.00 0.00 93 G 8.00 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 94 I 8.18 3.75 2.08 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.96 0.92 0.00 0.00 95 M 8.58 4.08 0.00 2.14 2.42 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 3.15 0.00 96 L 8.17 3.61 0.00 1.62 1.42 0.85 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 97 S 8.69 3.96 0.00 4.06 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 98 T 8.38 3.87 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 1.21 0.00 0.00 99 R 7.96 3.81 0.00 1.90 1.88 0.00 2.89 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.56 0.00 100 L 7.60 3.84 0.00 1.73 1.75 0.86 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.35 4.05 0.00 1.98 1.64 0.94 0.58 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 0.00 102 N 8.38 4.35 0.00 3.04 2.87 0.00 0.00 7.17 7.61 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 0.00 103 D 8.21 4.61 0.00 2.65 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.97 3.99 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 0.83 0.00 0.00 0.94 0.00 0.00 105 N 7.36 4.84 0.00 2.93 2.86 0.00 0.00 6.76 7.57 0.00 0.00 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 Q 7.85 4.21 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.65 0.00 0.00 0.00 0.00 0.00 2.24 2.54 0.00