NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.7674 8.2676 119.2258 53.1190 40.4920 174.4168 4 S 4.0234 8.6866 113.6628 61.5231 62.4465 175.1996 5 R 4.0073 8.1935 121.5022 59.0792 30.3621 179.4157 6 Y 4.5924 7.9692 120.3090 60.4749 39.0010 177.9505 7 T 3.6246 8.0280 116.8286 66.8619 68.5668 176.2190 8 H 4.1959 8.5091 120.2342 58.9034 29.8217 177.0815 9 F 4.1295 8.3240 122.6748 61.4100 39.3017 177.1476 10 L 3.8948 7.9687 118.4710 58.0531 41.0837 179.7536 11 T 3.9257 7.4962 114.9535 65.8426 68.5191 175.9473 12 Q 4.2807 7.5676 116.7698 56.7063 29.5519 175.5874 13 H 4.6855 7.8184 115.9764 53.9065 31.6925 171.8645 14 Y 5.2702 8.0283 119.4046 55.9513 41.5520 174.8304 15 D 4.0521 8.8812 126.0079 52.7237 43.3872 175.2546 16 A 3.9391 7.8147 127.9404 53.7414 18.3999 177.7953 17 K 4.4856 7.3692 118.6506 53.8728 33.2824 174.5509 18 P 4.6508 0.0000 0.0000 61.6362 34.4109 178.1815 19 Q 4.0185 8.5704 121.0615 56.7014 26.6605 179.2561 20 G 3.7019 9.0603 111.1719 46.0294 0.0000 175.0699 21 R 3.7425 8.0745 124.5726 54.6410 29.1013 174.7856 22 D 4.8933 7.2376 120.6676 51.7166 43.7936 176.4923 23 D 4.4792 8.6316 118.0271 58.0459 40.6309 179.4281 24 R 3.9744 7.9797 117.8185 59.2665 30.0840 178.1577 25 Y 4.0470 8.3263 119.3618 60.8731 38.6956 177.6006 26 C 3.9148 8.2784 117.2092 60.1973 38.6674 176.0562 27 E 3.9473 8.2726 119.8644 59.2075 28.8582 179.4773 28 S 4.0505 7.8471 113.1991 61.0836 62.6149 176.0378 29 I 3.3560 7.4653 121.4183 63.8088 37.4888 177.7915 30 M 3.9823 7.8892 120.1424 58.0216 31.6570 178.6802 31 R 3.8493 7.5069 118.4015 59.4824 30.1347 178.5279 32 R 3.9010 7.8539 116.7959 59.3072 30.1727 178.3821 33 R 4.3340 7.9506 114.4762 54.9644 30.9727 176.5106 34 G 3.9570 8.0360 106.6221 47.4285 0.0000 174.3263 35 L 4.7281 8.5915 113.9269 54.6272 42.6768 178.4442 36 T 4.6236 7.9799 106.0741 61.4293 69.0168 174.9042 37 S 4.5156 7.5742 117.1308 56.7787 62.8909 171.3524 38 P 4.0282 0.0000 0.0000 61.1424 32.8266 176.6995 39 C 4.5901 8.6360 118.9580 56.8605 40.3223 174.2132 40 K 4.1593 8.7704 126.3536 56.3897 32.0653 176.5342 41 D 4.5748 8.8890 126.5771 57.3902 42.4272 175.5551 42 I 5.0558 7.5241 115.4003 60.1129 41.2126 173.4450 43 N 4.8571 9.0234 126.3565 52.6782 42.9837 172.9130 44 T 4.8533 8.2918 121.8268 61.7174 71.7423 172.9488 45 F 4.9023 9.0252 124.3596 55.7863 41.9590 174.6299 46 I 4.7203 8.7227 123.5351 60.0637 39.5459 174.5290 47 H 5.7004 8.3241 122.1116 53.7327 31.7386 172.3799 48 G 4.0182 8.2070 104.1327 44.4802 0.0000 172.6558 49 N 5.0716 8.8916 116.0489 51.4269 39.2672 176.1784 50 K 3.5353 8.7266 120.0207 59.4603 32.0881 179.2534 51 R 3.9066 8.2480 118.6246 60.0326 29.6057 178.5476 52 S 4.3096 7.9084 112.9441 61.4275 63.0753 176.5775 53 I 3.8811 7.4629 122.4115 64.4093 36.9293 178.5549 54 K 3.8493 8.3989 119.4161 59.3359 31.8767 179.0642 55 A 4.1075 8.1029 120.4211 54.4343 18.0341 179.4564 56 I 3.8849 7.7041 118.5457 64.2026 36.8673 177.4828 57 C 4.3657 8.2276 116.8161 57.5843 37.5623 173.1745 58 E 4.6763 7.3732 118.4066 54.1199 31.4462 176.4279 59 N 4.8172 8.4287 114.8621 54.1312 38.7716 176.5554 60 K 4.1206 7.9845 119.7539 59.0819 32.6679 176.5807 61 N 5.1330 8.1997 116.1192 52.7066 40.7175 173.8698 62 G 4.6074 7.8837 101.9412 45.3443 0.0000 172.1801 63 N 5.4741 9.0280 117.0091 50.1636 43.2129 172.6616 64 P 4.8020 0.0000 0.0000 63.7884 32.4232 175.0836 65 H 4.7427 9.1345 120.7971 55.5294 33.2189 173.2175 66 R 3.3643 8.6827 124.3613 57.6001 28.9820 178.0443 67 E 4.1367 8.8391 121.4490 60.5309 29.6370 177.6780 68 N 4.5582 7.7705 111.6044 53.1539 38.2523 173.6443 69 L 4.8227 7.8820 120.4411 53.8982 45.1029 175.1862 70 R 5.0883 8.9676 117.6777 54.6538 34.4434 174.7207 71 I 5.0154 8.6549 122.7628 58.8592 40.7880 175.1175 72 S 4.8481 9.0642 124.6705 58.8292 63.2472 174.3777 73 K 4.3517 8.7555 121.4990 58.6573 32.9295 178.0047 74 S 4.4311 8.5798 114.0748 57.3635 64.3272 173.4170 75 S 4.6640 7.8754 117.1153 57.5636 64.1447 173.6848 76 F 4.9903 8.7879 120.9070 55.6568 43.1936 174.3313 77 Q 5.1159 8.9897 120.4158 56.2037 30.1245 175.5478 78 V 4.9832 9.0416 115.7344 60.2849 37.1744 174.3345 79 T 5.0915 8.7251 117.7355 62.5299 72.7830 173.1555 80 T 4.8507 9.1545 123.8097 62.0917 71.1214 172.8530 81 C 5.3454 9.3793 124.5556 55.2425 38.8556 172.5606 82 K 5.2611 8.9999 126.0676 54.1170 34.3653 175.0177 83 L 4.0343 9.1075 130.7245 55.4094 42.6322 175.3587 84 H 4.8158 8.8874 126.6386 55.1924 31.8384 173.3957 85 G 3.8311 8.8854 111.7225 44.7284 0.0000 173.5352 86 G 3.8864 8.3601 106.8968 45.2138 0.0000 173.5507 87 S 4.7160 7.6234 114.0612 55.6866 64.8905 171.7625 88 P 4.3595 0.0000 0.0000 62.6229 31.5994 175.1371 89 W 5.0033 7.4384 118.9779 54.0943 31.1738 174.1123 90 P 4.4986 0.0000 0.0000 62.2897 31.4297 174.4035 91 P 4.3403 0.0000 0.0000 62.6839 31.8012 176.8408 92 C 4.4405 8.6789 120.9136 55.7471 37.7264 172.8722 93 Q 4.7063 8.1630 124.4597 54.8395 30.0455 174.5711 94 Y 5.2561 8.6828 120.8017 56.2441 41.4271 175.1862 95 R 4.8630 9.3704 121.4901 54.5727 32.5565 175.1013 96 A 5.1462 9.2628 126.3809 51.0830 21.1272 176.8237 97 T 4.5716 8.7221 116.6644 61.8050 72.2441 173.2681 98 A 4.7670 8.8114 128.8940 51.6932 19.9948 176.2205 99 G 4.2621 9.3469 107.6354 45.6180 0.0000 171.6463 100 F 5.9002 8.9429 122.0675 58.6918 40.9657 172.8335 101 R 4.4300 8.0324 122.4350 55.1244 32.5798 173.6342 102 N 5.2826 8.5220 116.4744 52.3295 38.6727 174.4845 103 V 4.6249 9.1100 112.5992 59.5679 36.2877 174.6637 104 V 4.8148 8.1822 121.1580 61.4263 33.9257 174.7725 105 V 5.1108 8.7564 119.5688 59.6592 36.6850 173.8928 106 A 5.0173 8.7965 123.3445 50.5510 21.3054 175.1644 107 C 5.3483 8.6888 118.5072 55.2122 43.5125 173.5607 108 E 4.4863 8.9007 121.1215 55.8396 32.7067 175.8741 109 N 4.2038 9.8339 123.0276 54.4718 36.1115 174.7999 110 G 3.8878 8.1230 100.1776 45.9581 0.0000 172.9652 111 L 4.4469 7.4936 118.9055 51.3489 44.9539 174.2843 112 P 4.4903 0.0000 0.0000 62.8773 31.6391 176.8121 113 V 4.4962 8.4287 114.9114 61.1507 33.7502 175.1588 114 H 5.0771 7.8202 119.7782 54.5907 33.5534 171.3433 115 L 4.9495 8.2769 126.4752 53.2718 43.9531 175.4591 116 D 4.5392 8.9392 127.3674 53.6167 40.6693 176.1620 117 G 4.0451 8.7072 114.5004 46.0825 0.0000 173.9570 118 S 4.1277 8.5675 116.3996 61.2319 62.9673 176.4381 119 I 3.7140 7.4883 112.1181 62.1594 37.2269 176.0797 120 F 4.7032 7.6751 119.0610 57.2190 39.6445 175.5413 121 R 4.4587 7.8581 118.4560 54.3913 29.5745 176.6985 122 R 4.3261 8.3557 121.4817 54.0590 28.6341 174.6755 123 P 4.4400 0.0000 0.0000 63.3577 31.6284 176.5654 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 N 8.27 4.77 0.00 2.86 2.85 0.00 0.00 6.80 6.75 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 4 S 8.69 4.02 0.00 4.19 4.16 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 5 R 8.19 4.01 0.00 1.94 2.09 0.00 3.15 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 1.75 1.72 0.00 6 Y 7.97 4.59 0.00 2.98 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 7 T 8.03 3.62 4.51 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 0.00 0.00 0.00 1.21 0.00 0.00 8 H 8.51 4.20 0.00 3.31 3.50 0.00 5.59 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 F 8.32 4.13 0.00 3.32 3.20 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 10 L 7.97 3.89 0.00 1.77 1.68 0.42 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 11 T 7.50 3.93 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 1.16 0.00 0.00 12 Q 7.57 4.28 0.00 1.66 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.13 1.99 0.00 13 H 7.82 4.69 0.00 2.04 2.71 0.00 5.56 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.03 5.27 0.00 2.74 2.96 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 15 D 8.88 4.05 0.00 2.59 2.51 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 0.00 0.00 0.00 0.00 16 A 7.81 3.94 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 17 K 7.37 4.49 0.00 1.64 1.66 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.38 7.81 18 P 0.00 4.65 0.00 1.36 1.95 0.00 3.53 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 1.49 1.08 0.00 19 Q 8.57 4.02 0.00 2.01 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.97 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 20 G 9.06 3.70 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 0.00 0.00 0.00 21 R 8.07 3.74 0.00 1.63 1.72 0.00 2.87 0.00 0.00 3.07 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.95 0.00 22 D 7.24 4.89 0.00 2.91 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 23 D 8.63 4.48 0.00 2.82 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 24 R 7.98 3.97 0.00 2.03 2.00 0.00 3.15 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 25 Y 8.33 4.05 0.00 3.17 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 26 C 8.28 3.91 0.00 3.27 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 27 E 8.27 3.95 0.00 2.07 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 0.00 2.62 2.80 0.00 28 S 7.85 4.05 0.00 3.84 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 29 I 7.47 3.36 0.79 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.91 -0.09 0.00 0.00 30 M 7.89 3.98 0.00 1.89 1.97 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 2.39 0.00 31 R 7.51 3.85 0.00 2.18 2.01 0.00 3.10 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 32 R 7.85 3.90 0.00 1.89 1.89 0.00 3.14 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 33 R 7.95 4.33 0.00 1.84 2.05 0.00 3.61 0.00 0.00 3.18 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.93 0.00 34 G 8.04 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 35 L 8.59 4.73 0.00 1.68 1.59 0.81 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.98 4.62 4.31 0.00 0.00 0.00 0.00 0.00 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 37 S 7.57 4.52 0.00 3.94 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 38 P 0.00 4.03 0.00 1.44 0.49 0.00 3.75 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 39 C 8.64 4.59 0.00 2.69 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 40 K 8.77 4.16 0.00 1.93 1.72 0.00 1.92 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.49 7.81 41 D 8.89 4.57 0.00 2.84 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 42 I 7.52 5.06 1.93 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.87 0.95 0.00 0.00 43 N 9.02 4.86 0.00 2.68 2.31 0.00 0.00 6.92 6.55 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 44 T 8.29 4.85 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 0.36 0.00 0.00 45 F 9.03 4.90 0.00 2.91 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 46 I 8.72 4.72 1.95 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.66 0.85 0.00 0.00 47 H 8.32 5.70 0.00 3.10 3.32 0.00 5.59 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 48 G 8.21 4.02 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 0.00 49 N 8.89 5.07 0.00 3.06 3.06 0.00 0.00 6.00 7.20 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 50 K 8.73 3.54 0.00 1.82 1.82 0.00 1.56 0.00 0.00 1.28 0.00 0.00 2.93 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.12 1.53 7.81 51 R 8.25 3.91 0.00 1.89 2.46 0.00 3.25 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.84 0.00 52 S 7.91 4.31 0.00 4.32 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 53 I 7.46 3.88 2.03 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 1.24 0.73 1.00 0.00 0.00 54 K 8.40 3.85 0.00 1.88 1.74 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.11 1.42 7.81 55 A 8.10 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 56 I 7.70 3.88 1.88 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 1.65 1.05 0.93 0.00 0.00 57 C 8.23 4.37 0.00 2.99 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 58 E 7.37 4.68 0.00 2.12 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 2.38 2.33 0.00 59 N 8.43 4.82 0.00 2.71 2.91 0.00 0.00 7.23 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 60 K 7.98 4.12 0.00 1.69 1.94 0.00 1.61 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.49 7.81 61 N 8.20 5.13 0.00 2.85 2.73 0.00 0.00 6.84 7.64 0.00 0.00 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 G 7.88 4.61 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 63 N 9.03 5.47 0.00 2.64 2.66 0.00 0.00 7.12 7.64 0.00 0.00 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 P 0.00 4.80 0.00 2.07 2.05 0.00 3.73 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 65 H 9.13 4.74 0.00 3.19 3.13 0.00 5.93 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 R 8.68 3.36 0.00 1.81 1.53 0.00 3.16 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.23 0.00 67 E 8.84 4.14 0.00 1.91 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 2.29 2.33 0.00 68 N 7.77 4.56 0.00 2.75 2.80 0.00 0.00 5.93 7.79 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 69 L 7.88 4.82 0.00 1.82 1.79 0.97 0.74 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 70 R 8.97 5.09 0.00 1.62 1.74 0.00 3.21 0.00 0.00 3.07 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 71 I 8.65 5.02 1.64 0.00 0.00 0.64 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 1.56 0.89 0.00 0.00 72 S 9.06 4.85 0.00 4.17 4.02 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 73 K 8.76 4.35 0.00 1.88 1.89 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.39 7.81 74 S 8.58 4.43 0.00 3.73 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 75 S 7.88 4.66 0.00 2.98 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 76 F 8.79 4.99 0.00 2.90 3.01 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 77 Q 8.99 5.12 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.72 2.42 0.00 78 V 9.04 4.98 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 0.73 0.00 0.00 0.90 0.00 0.00 79 T 8.73 5.09 4.51 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 0.00 0.00 0.00 1.39 0.00 0.00 80 T 9.15 4.85 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 81 C 9.38 5.35 0.00 2.59 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 82 K 9.00 5.26 0.00 1.93 1.73 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.46 7.81 83 L 9.11 4.03 0.00 1.84 1.59 0.39 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 84 H 8.89 4.82 0.00 3.05 3.25 0.00 5.97 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 85 G 8.89 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 86 G 8.36 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 87 S 7.62 4.72 0.00 3.83 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 88 P 0.00 4.36 0.00 1.65 2.01 0.00 3.75 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 89 W 7.44 5.00 0.00 3.37 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 90 P 0.00 4.50 0.00 2.14 2.08 0.00 4.12 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.50 0.00 91 P 0.00 4.34 0.00 2.04 2.00 0.00 3.69 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 2.04 2.12 0.00 92 C 8.68 4.44 0.00 3.02 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 93 Q 8.16 4.71 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 94 Y 8.68 5.26 0.00 2.90 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 95 R 9.37 4.86 0.00 1.75 1.86 0.00 3.10 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 96 A 9.26 5.15 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 97 T 8.72 4.57 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 1.27 0.00 0.00 98 A 8.81 4.77 1.23 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 0.00 0.00 99 G 9.35 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 0.00 0.00 0.00 100 F 8.94 5.90 0.00 2.97 3.02 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 0.00 101 R 8.03 4.43 0.00 1.86 2.01 0.00 3.04 0.00 0.00 3.41 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.79 0.00 102 N 8.52 5.28 0.00 2.91 2.93 0.00 0.00 6.19 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 0.00 103 V 9.11 4.62 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 0.85 0.00 0.00 0.77 0.00 0.00 104 V 8.18 4.81 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 1.16 0.00 0.00 0.72 0.00 0.00 105 V 8.76 5.11 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 0.69 0.00 0.00 0.83 0.00 0.00 106 A 8.80 5.02 1.23 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 0.00 0.00 107 C 8.69 5.35 0.00 2.77 2.89 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 0.00 108 E 8.90 4.49 0.00 1.85 1.77 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 2.19 2.38 0.00 109 N 9.83 4.20 0.00 2.77 2.80 0.00 0.00 7.14 7.65 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 0.00 110 G 8.12 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 0.00 111 L 7.49 4.45 0.00 1.62 1.02 0.69 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.49 0.00 0.76 1.76 0.00 3.13 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.83 0.00 113 V 8.43 4.50 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 0.73 0.00 0.00 0.95 0.00 0.00 114 H 7.82 5.08 0.00 3.24 3.08 0.00 5.82 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 0.00 115 L 8.28 4.95 0.00 1.65 1.13 1.08 1.00 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 0.00 116 D 8.94 4.54 0.00 2.77 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 0.00 117 G 8.71 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 0.00 0.00 0.00 0.00 118 S 8.57 4.13 0.00 4.01 4.14 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 0.00 119 I 7.49 3.71 1.51 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 -0.36 0.74 0.00 0.00 120 F 7.68 4.70 0.00 3.23 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 0.00 121 R 7.86 4.46 0.00 1.97 2.01 0.00 3.07 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.55 0.00 122 R 8.36 4.33 0.00 1.96 2.04 0.00 3.24 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 123 P 0.00 4.44 0.00 2.21 2.08 0.00 3.80 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00