NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1024 8.2644 123.5848 52.0579 19.3481 173.8182 2 K 3.5048 7.3795 126.6431 54.6562 30.3273 174.4400 3 Q 3.8991 8.5085 126.3605 59.0461 30.2180 177.6956 4 S 4.0654 8.1988 113.3655 62.1263 62.1538 175.9471 5 M 4.0581 7.6093 120.1304 57.9421 31.9464 178.6324 6 K 4.0807 8.2170 120.0163 59.3534 32.6196 178.7066 7 A 4.0538 7.9642 120.3486 55.0436 18.0539 179.3282 8 R 3.8621 7.9207 116.8443 59.7112 30.0679 178.6126 9 E 3.9751 8.2138 118.5540 58.6413 29.5454 178.9480 10 V 3.5815 7.6303 118.8541 65.8117 31.5694 177.9056 11 K 3.9929 7.9676 118.8872 59.1584 32.1145 179.0610 12 R 3.8705 7.6281 118.6812 59.2348 29.8601 179.1068 13 V 4.3378 8.2083 118.2002 65.9895 31.6468 176.9449 14 A 4.0385 8.3519 121.4334 54.1924 18.1481 178.9904 15 L 3.9883 8.9985 116.0956 57.7208 41.9285 179.7543 16 A 4.1516 8.0255 119.6348 54.2610 18.2584 178.1850 17 D 5.0473 8.1541 117.3361 53.0829 41.2414 178.0080 18 K 3.9014 8.1924 118.7421 60.2881 32.4516 177.2965 19 Y 4.3772 8.0588 115.5052 58.8293 38.6269 176.3166 20 F 4.2464 7.9606 117.7332 58.5862 40.1862 176.6378 21 A 4.1732 8.8275 130.0215 53.8984 18.7900 179.8354 22 K 4.6029 7.3982 117.8700 55.9806 31.5782 180.9193 23 R 3.8944 9.1976 120.1322 58.8314 29.5458 177.0853 24 A 3.7823 7.7588 119.3032 53.8433 18.5030 178.4274 25 E 4.1021 8.1392 117.0953 59.0113 29.9392 177.2656 26 L 4.6503 7.4335 120.2049 52.7511 39.8192 175.4856 27 K 4.5200 7.6927 129.5152 57.1654 33.2058 176.6646 28 A 4.1147 7.4222 123.7273 54.7502 19.2364 178.8000 29 I 3.8482 7.8305 113.9298 64.4451 37.9538 178.7896 30 I 3.7476 7.6535 119.3611 64.4605 37.3229 177.8018 31 S 4.7572 7.4473 114.1973 56.7944 62.7313 172.8390 32 D 4.5005 8.3028 118.1613 53.5115 44.6395 173.0850 33 V 3.7308 7.5963 124.4210 63.0352 30.2971 174.8543 34 N 5.0023 8.6648 122.3999 52.4130 40.2984 174.7171 35 A 4.3901 7.8489 122.0139 50.6881 21.0110 177.0523 *40 R 3.5709 8.0462 117.6834 55.2198 29.5140 174.4535 41 W 4.3859 8.1235 119.5056 56.7437 27.5104 176.2083 42 N 4.3605 8.7770 123.6022 56.1661 39.0824 176.4212 43 A 4.0749 7.6149 119.6950 53.5499 17.9289 179.0841 44 V 3.9411 7.4643 111.2799 63.6691 32.1969 176.7130 45 L 4.4146 7.6232 127.0079 55.5652 42.1613 177.8026 46 K 4.3941 7.8126 117.5005 58.0123 35.2631 178.4275 47 L 4.2481 7.5048 115.3236 56.0450 42.2927 177.2035 48 Q 4.3847 7.5099 120.6029 55.9347 27.7073 176.1618 49 T 4.7093 7.1662 108.6890 60.6775 69.3577 174.2918 50 L 4.2608 8.0208 119.8332 54.1882 43.6539 178.3020 51 P 3.0881 0.0000 0.0000 60.1018 33.7643 176.2585 52 R 4.9406 7.7628 125.5422 57.7655 27.9285 176.4854 53 D 4.5249 7.5240 115.8281 56.0996 40.9938 177.6300 54 S 4.3477 7.2899 113.7497 55.7461 60.5723 171.9762 55 S 3.5444 7.1394 114.4966 55.9293 64.7881 175.7725 56 P 4.2307 0.0000 0.0000 65.6895 31.1837 177.7760 57 S 4.4135 7.8132 110.6484 58.7871 63.3487 174.3330 58 R 4.1830 7.4838 121.0524 57.4725 30.7330 176.5481 59 Q 4.2437 7.4963 115.7692 56.0443 28.6228 174.7347 60 R 4.0863 7.7869 117.6541 54.6423 31.6651 175.2436 61 N 3.8432 7.5583 126.0126 52.8743 37.1713 173.5184 62 R 4.6324 7.5622 121.3067 53.7992 32.8274 175.1466 63 C 3.8768 9.0734 122.6234 59.2257 31.1512 174.5106 64 R 3.9894 9.0841 129.4503 59.2349 30.0100 177.5533 65 Q 4.2925 8.1688 115.4969 58.1201 29.0631 176.6663 66 T 4.1113 7.6590 106.7630 62.3981 69.6307 174.0715 67 G 3.3600 7.9925 116.5989 43.9634 0.0000 173.7111 68 R 3.8443 7.5808 121.9023 56.7160 30.1496 174.6353 69 P 4.8555 0.0000 0.0000 63.1508 32.3072 175.0075 70 H 4.7972 7.9268 116.4384 55.1043 31.4626 174.6574 71 G 3.9009 8.8587 107.6196 46.2762 0.0000 173.6784 72 F 4.6400 7.6709 120.1218 57.9631 40.1631 174.7154 73 L 4.7005 7.0367 124.4788 52.9758 45.3322 177.3779 74 R 4.0163 9.0019 123.3085 59.4192 30.3655 178.6422 75 K 3.5883 7.8183 116.9176 58.8414 31.8781 176.8374 76 F 4.6214 7.3496 112.7893 56.2662 40.9158 176.2496 77 G 3.8775 8.2193 108.6322 46.0591 0.0000 172.8490 78 L 4.9326 7.0658 118.6489 52.8481 46.0057 174.9945 79 S 5.1899 7.9599 114.4785 57.3077 65.2322 176.6252 80 R 3.6968 8.5011 122.3261 59.4873 29.5800 178.0718 81 I 3.6993 8.2055 119.7158 63.7022 36.7076 177.2616 82 K 3.9355 8.3375 124.6694 59.1935 32.5680 179.0377 83 V 3.4032 7.6631 119.2751 66.0467 31.6610 178.0065 84 R 3.9833 8.0716 118.3607 59.2170 29.6451 178.3584 85 E 3.9571 8.1288 117.8897 59.0914 29.7051 178.6803 86 A 4.1385 7.8208 120.7251 54.7685 18.4474 179.2874 87 A 3.9695 8.2140 118.7578 55.3629 18.3313 178.5530 88 M 4.5566 7.5392 114.8700 55.2825 32.5106 176.8757 89 R 4.6785 7.6927 117.1317 55.7705 33.5345 178.5711 90 G 3.6734 9.1961 110.7200 45.9411 0.0000 175.3226 91 E 3.7626 9.5484 120.2472 57.6168 29.4024 175.4547 92 I 4.2767 7.0888 125.2754 58.7211 36.7725 173.3417 93 P 4.4184 0.0000 0.0000 63.8260 31.6484 177.7974 94 G 3.9332 8.8306 109.5691 45.4514 0.0000 172.9734 95 L 4.4775 7.5510 122.0685 53.5081 42.6017 175.6093 96 K 4.6499 8.1555 123.6677 54.9889 35.4273 175.7554 97 K 4.0293 8.6195 119.6400 56.6466 32.4449 176.5205 98 A 4.9668 8.5096 125.7526 50.5163 21.7876 174.8668 99 S 4.7418 8.1661 113.4063 56.8780 66.4026 174.2475 100 W 4.2313 7.9624 116.4475 57.3825 27.1958 174.2290 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 A 8.26 4.10 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 2 K 7.38 3.50 0.00 2.07 1.87 0.00 1.76 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.49 7.81 3 Q 8.51 3.90 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.61 0.00 0.00 0.00 0.00 0.00 2.44 2.54 0.00 4 S 8.20 4.07 0.00 3.92 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 5 M 7.61 4.06 0.00 1.98 2.29 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 2.64 2.71 0.00 6 K 8.22 4.08 0.00 1.81 1.97 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.45 7.81 7 A 7.96 4.05 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 8 R 7.92 3.86 0.00 2.09 2.00 0.00 3.11 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 9 E 8.21 3.98 0.00 2.07 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 2.26 2.31 0.00 10 V 7.63 3.58 2.21 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 1.02 0.00 0.00 0.99 0.00 0.00 11 K 7.97 3.99 0.00 1.87 1.92 0.00 1.77 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.54 7.81 12 R 7.63 3.87 0.00 2.00 1.91 0.00 3.14 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.88 0.00 13 V 8.21 4.34 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 0.95 0.00 0.00 0.94 0.00 0.00 14 A 8.35 4.04 1.42 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 0.00 0.00 0.00 15 L 9.00 3.99 0.00 1.69 1.89 0.96 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.03 4.15 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 17 D 8.15 5.05 0.00 2.81 2.79 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 0.00 0.00 0.00 18 K 8.19 3.90 0.00 1.71 1.71 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.44 1.72 7.81 19 Y 8.06 4.38 0.00 3.27 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 20 F 7.96 4.25 0.00 3.23 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 21 A 8.83 4.17 1.42 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 0.00 0.00 0.00 22 K 7.40 4.60 0.00 1.91 1.15 0.00 1.52 0.00 0.00 1.62 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.50 7.81 23 R 9.20 3.89 0.00 1.98 2.01 0.00 3.27 0.00 0.00 3.37 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 24 A 7.76 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.14 4.10 0.00 2.16 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 2.43 2.35 0.00 26 L 7.43 4.65 0.00 1.73 1.68 0.98 1.33 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 27 K 7.69 4.52 0.00 1.94 1.96 0.00 1.39 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.19 1.27 7.81 28 A 7.42 4.11 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 29 I 7.83 3.85 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.11 0.95 0.00 0.00 30 I 7.65 3.75 1.93 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 1.46 0.44 0.96 0.00 0.00 31 S 7.45 4.76 0.00 4.05 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 32 D 8.30 4.50 0.00 2.74 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 33 V 7.60 3.73 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 0.85 0.00 0.00 0.92 0.00 0.00 34 N 8.66 5.00 0.00 2.80 2.87 0.00 0.00 6.81 8.69 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 35 A 7.85 4.39 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 *40 R 8.05 3.57 0.00 1.28 1.38 0.00 2.28 0.00 0.00 2.58 7.37 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 W 8.12 4.39 0.00 3.58 3.38 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 42 N 8.78 4.36 0.00 2.81 2.87 0.00 0.00 6.98 8.24 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 43 A 7.61 4.07 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 44 V 7.46 3.94 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 0.90 0.00 0.00 0.94 0.00 0.00 45 L 7.62 4.41 0.00 1.57 1.62 0.93 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.81 4.39 0.00 1.83 1.76 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.34 7.81 47 L 7.50 4.25 0.00 1.70 1.68 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 7.51 4.38 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.16 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 49 T 7.17 4.71 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 1.27 0.00 0.00 50 L 8.02 4.26 0.00 1.53 0.96 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 3.09 0.00 1.98 2.08 0.00 2.71 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.00 0.00 52 R 7.76 4.94 0.00 1.94 1.99 0.00 3.19 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.39 0.00 53 D 7.52 4.52 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 54 S 7.29 4.35 0.00 3.90 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 55 S 7.14 3.54 0.00 3.01 3.27 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 56 P 0.00 4.23 0.00 2.25 2.30 0.00 3.37 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 2.06 2.04 0.00 57 S 7.81 4.41 0.00 3.96 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 58 R 7.48 4.18 0.00 1.67 1.95 0.00 3.23 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 59 Q 7.50 4.24 0.00 2.37 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.37 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 60 R 7.79 4.09 0.00 1.67 2.10 0.00 3.17 0.00 0.00 3.14 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00 61 N 7.56 3.84 0.00 2.40 1.80 0.00 0.00 6.69 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 62 R 7.56 4.63 0.00 1.75 1.85 0.00 3.23 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 63 C 9.07 3.88 0.00 3.16 3.12 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 64 R 9.08 3.99 0.00 2.02 2.06 0.00 3.40 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 65 Q 8.17 4.29 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 66 T 7.66 4.11 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 1.23 0.00 0.00 67 G 7.99 3.36 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 0.00 68 R 7.58 3.84 0.00 2.02 1.92 0.00 3.11 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 69 P 0.00 4.86 0.00 2.17 2.11 0.00 3.83 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 70 H 7.93 4.80 0.00 3.21 3.25 0.00 5.75 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.86 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 72 F 7.67 4.64 0.00 3.15 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 73 L 7.04 4.70 0.00 1.62 1.61 0.97 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 74 R 9.00 4.02 0.00 1.84 2.01 0.00 3.40 0.00 0.00 3.44 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.64 0.00 75 K 7.82 3.59 0.00 1.26 0.74 0.00 1.26 0.00 0.00 1.42 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.65 0.21 7.81 76 F 7.35 4.62 0.00 2.96 2.99 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 77 G 8.22 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 0.00 0.00 0.00 78 L 7.07 4.93 0.00 1.58 1.50 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 79 S 7.96 5.19 0.00 3.90 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 80 R 8.50 3.70 0.00 2.04 2.14 0.00 2.79 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 81 I 8.21 3.70 1.87 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 1.63 0.57 0.90 0.00 0.00 82 K 8.34 3.94 0.00 1.75 1.86 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.46 7.81 83 V 7.66 3.40 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 0.57 0.00 0.00 0.66 0.00 0.00 84 R 8.07 3.98 0.00 1.85 2.11 0.00 3.12 0.00 0.00 3.13 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 85 E 8.13 3.96 0.00 1.95 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 0.00 2.44 2.45 0.00 86 A 7.82 4.14 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 87 A 8.21 3.97 1.24 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 0.00 0.00 0.00 88 M 7.54 4.56 0.00 2.02 2.06 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 2.58 2.88 0.00 89 R 7.69 4.68 0.00 1.86 1.84 0.00 3.24 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 1.54 1.54 0.00 90 G 9.20 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 91 E 9.55 3.76 0.00 2.17 2.06 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 2.37 2.31 0.00 92 I 7.09 4.28 1.85 0.00 0.00 0.54 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 1.18 1.06 0.00 0.00 93 P 0.00 4.42 0.00 2.06 2.01 0.00 3.79 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 94 G 8.83 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 0.00 0.00 0.00 95 L 7.55 4.48 0.00 1.72 1.74 0.97 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.16 4.65 0.00 1.84 1.72 0.00 1.55 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.33 1.55 7.81 97 K 8.62 4.03 0.00 1.78 1.82 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.45 7.81 98 A 8.51 4.97 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 99 S 8.17 4.74 0.00 3.91 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 0.00 100 W 7.96 4.23 0.00 3.34 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 * Residues marked with a * may have inaccurate shift predictions.