NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1807 8.2644 123.5846 52.1696 19.5172 177.5664 2 D 4.3416 8.4395 114.8141 54.1627 41.2074 175.8154 3 L 4.1692 8.7522 129.9932 57.0501 42.3743 178.5745 4 A 3.9496 7.9920 120.7697 55.0105 18.3378 179.2560 5 L 4.0025 8.5563 119.2338 57.9945 42.1331 179.3163 6 G 3.5730 7.7686 105.6934 47.7360 0.0000 175.5641 7 A 2.9056 7.2884 122.6641 54.3137 18.3083 179.4283 8 Q 3.8309 7.6681 117.6227 59.3782 29.0167 178.8516 9 V 3.4971 7.9418 119.4545 65.8648 31.6772 177.7657 10 F 3.9346 8.5909 120.7745 61.4423 39.0730 176.9094 11 N 4.6110 8.8942 115.6844 55.7760 38.4320 176.8103 12 G 3.9180 7.9299 104.7231 45.2038 0.0000 173.9241 13 N 4.7987 7.5677 115.8474 54.7777 41.3469 175.5491 14 C 3.9506 7.4372 114.5022 61.3488 28.4377 175.5845 15 A 3.9373 7.5132 121.5501 54.0783 18.1281 178.9846 16 A 4.1441 7.8447 117.8202 54.3596 18.9180 178.0054 17 C 4.7954 7.6171 110.9369 58.5332 30.7448 174.8195 18 H 5.3440 8.0850 116.6662 54.1219 29.2425 173.5697 19 M 4.1781 8.2639 119.1107 57.3849 32.2570 176.2143 20 G 3.7621 9.8681 113.1872 46.5546 0.0000 174.0975 21 G 2.3594 8.3021 106.2052 45.0856 0.0000 175.1822 22 R 4.0952 7.4068 119.8340 55.3221 32.0369 175.1159 23 N 4.7909 8.1547 118.0222 53.2298 39.4135 175.5295 24 S 4.1641 8.7187 122.2228 60.4107 63.7486 177.0237 25 V 3.7288 7.9431 120.1486 64.9338 31.9154 175.7307 26 M 4.6335 7.8930 120.4225 52.0682 32.7607 173.8962 27 P 4.3695 0.0000 0.0000 65.3599 31.9790 177.8527 28 E 4.0025 7.9199 116.1516 59.0312 29.9336 178.0031 29 K 4.0629 7.3273 119.5598 55.3557 30.2429 175.9321 30 T 4.2919 7.3229 111.8662 60.6058 70.8584 175.1499 31 L 4.4596 8.3646 119.6387 54.9961 41.5554 177.7680 32 D 4.7363 7.4479 118.5858 53.4374 42.8213 176.9537 33 K 2.8769 8.5142 122.5483 59.7622 31.9989 178.9975 34 A 4.2609 8.0050 121.2411 54.0989 18.2602 179.4038 35 A 4.0471 7.8566 119.0132 55.3566 18.7529 179.4578 36 L 4.1942 8.1256 117.8183 58.2940 41.6421 179.7279 37 E 4.0481 8.4274 118.6461 59.4600 29.1154 179.5913 38 Q 3.7384 7.7074 117.0723 58.5667 28.9694 177.2945 39 Y 4.6014 8.3238 116.0483 57.3247 39.5975 175.9550 40 L 4.3511 7.5341 122.7505 53.9626 42.9425 175.6804 41 D 4.5597 8.6768 126.2126 56.0186 41.1071 176.6965 42 G 3.8464 8.7119 113.0686 44.4616 0.0000 173.9872 43 G 3.7336 7.8773 106.2283 44.4259 0.0000 173.1528 44 F 4.9010 8.5655 121.4126 57.5627 38.2223 175.9700 45 K 4.3037 7.8984 125.0548 53.4791 37.3480 176.5694 46 V 3.3150 7.4399 121.4896 65.9244 31.4612 178.1959 47 E 3.9515 7.9269 116.8921 59.7482 29.3454 179.2278 48 S 4.1903 7.9895 115.6314 61.2774 62.8670 176.6410 49 I 3.8841 7.6421 122.7058 64.2802 36.8672 178.4367 50 I 3.7318 7.9499 120.7263 64.5803 37.0198 177.6471 51 Y 4.0260 8.1589 120.1905 61.0304 38.5238 178.1898 52 Q 4.1570 8.4518 120.2266 59.0103 29.1060 178.3949 53 V 3.8174 8.0940 119.7916 66.0461 31.4978 177.9597 54 E 4.0938 8.5155 118.4343 58.6770 29.1603 178.0539 55 N 4.5154 7.8532 113.3463 51.9391 39.5908 176.0745 56 G 3.8340 8.2432 108.2147 45.0802 0.0000 172.9736 57 K 4.1184 9.0947 114.9039 56.4113 35.8351 176.5452 58 G 3.9901 8.8084 118.2866 46.8288 0.0000 174.3469 59 A 4.0969 8.9952 127.3170 53.0031 18.6752 177.6150 60 M 4.3791 8.2035 118.0450 53.3636 32.9184 174.2464 61 P 4.5776 0.0000 0.0000 61.9985 32.3332 175.5836 62 A 4.4544 7.8404 122.3940 51.5311 19.7378 177.6007 63 W 4.4585 8.6075 118.7456 56.0739 30.3667 177.8847 64 A 4.0851 7.7342 122.4633 55.1062 17.8169 178.5979 65 D 4.6260 7.9792 113.3660 55.4242 41.5424 177.2468 66 R 4.4825 8.0282 116.4517 56.2070 32.0361 175.9213 67 L 4.9195 7.9068 116.2772 52.8506 44.4223 176.5007 68 S 4.6470 8.8148 115.9218 57.3402 65.8986 174.8641 69 E 3.9726 8.6625 122.8448 59.5177 29.3139 178.7538 70 E 4.0934 8.1131 117.0726 59.1703 29.9740 178.7278 71 E 4.0017 8.0279 119.2156 59.2071 29.4643 179.3181 72 I 3.7464 7.8966 119.9164 64.4851 37.1766 178.5179 73 Q 3.9948 8.0297 118.2059 58.7589 28.5208 178.6774 74 A 4.0071 8.1071 122.0072 55.1950 18.4091 180.0384 75 V 3.7188 7.9867 117.5022 64.9141 31.4010 178.3363 76 A 4.0912 8.0860 121.4542 55.1721 18.2230 179.5895 77 E 4.0505 8.3002 117.0232 59.4472 29.4552 179.0487 78 Y 4.0100 8.3140 119.9639 60.6741 38.9913 178.0754 79 V 3.5231 8.3589 119.6107 65.7558 31.6336 177.8026 80 F 4.2447 8.3545 120.5598 61.1552 39.2852 176.9770 81 K 3.7506 8.2853 119.4816 59.6156 31.8809 178.7363 82 Q 3.2590 7.3809 117.9662 58.5279 28.4252 178.7327 83 A 4.0799 7.7309 121.2884 55.2399 18.2492 179.6829 84 T 3.7195 7.4500 113.1750 67.0688 68.4830 175.3831 85 D 4.3528 7.7353 117.0730 53.9776 41.2157 176.0805 86 A 3.6429 7.2233 120.7052 53.1690 16.4785 177.5279 87 A 4.2210 7.7864 121.0019 52.8780 19.1073 178.4657 88 W 4.3043 7.7947 117.5665 56.9331 29.0607 176.3040 89 K 4.4622 8.7689 124.6780 54.9016 31.3997 176.0938 *90 Y 4.2659 8.2652 120.9537 56.7343 37.7356 175.9842 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 4.18 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 D 8.44 4.34 0.00 2.81 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.75 4.17 0.00 1.81 1.76 0.99 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 4 A 7.99 3.95 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 5 L 8.56 4.00 0.00 1.81 1.88 0.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 6 G 7.77 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 A 7.29 2.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.67 3.83 0.00 2.20 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 9 V 7.94 3.50 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 0.81 0.00 0.00 0.90 0.00 0.00 10 F 8.59 3.93 0.00 3.26 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 11 N 8.89 4.61 0.00 2.82 2.91 0.00 0.00 7.00 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 12 G 7.93 3.92 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 0.00 0.00 0.00 13 N 7.57 4.80 0.00 2.21 1.95 0.00 0.00 6.96 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 14 C 7.44 3.95 0.00 1.42 2.32 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 0.00 15 A 7.51 3.94 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 16 A 7.84 4.14 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 17 C 7.62 4.80 0.00 2.78 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 18 H 8.08 5.34 0.00 3.15 3.20 0.00 5.65 0.00 0.00 0.00 0.00 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 M 8.26 4.18 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.67 0.00 20 G 9.87 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 0.00 0.00 0.00 21 G 8.30 2.36 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 22 R 7.41 4.10 0.00 2.13 1.86 0.00 3.11 0.00 0.00 3.08 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 23 N 8.15 4.79 0.00 2.78 2.76 0.00 0.00 6.69 8.25 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 24 S 8.72 4.16 0.00 4.05 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 25 V 7.94 3.73 2.05 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 0.80 0.00 0.00 0.90 0.00 0.00 26 M 7.89 4.63 0.00 2.01 1.88 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 2.46 2.40 0.00 27 P 0.00 4.37 0.00 1.99 2.10 0.00 3.68 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 28 E 7.92 4.00 0.00 1.71 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.21 0.00 29 K 7.33 4.06 0.00 1.77 1.73 0.00 1.00 0.00 0.00 1.55 0.00 0.00 2.70 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.40 1.13 7.81 30 T 7.32 4.29 4.29 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 1.19 0.00 0.00 31 L 8.36 4.46 0.00 0.66 1.49 0.65 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 32 D 7.45 4.74 0.00 2.70 2.56 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 0.00 0.00 0.00 0.00 33 K 8.51 2.88 0.00 1.51 1.54 0.00 1.52 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.20 0.26 7.81 34 A 8.00 4.26 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 35 A 7.86 4.05 1.50 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 0.00 0.00 0.00 36 L 8.13 4.19 0.00 1.96 1.89 1.05 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.43 4.05 0.00 2.04 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 0.00 2.38 2.42 0.00 38 Q 7.71 3.74 0.00 1.87 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.16 2.16 0.00 39 Y 8.32 4.60 0.00 2.92 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 40 L 7.53 4.35 0.00 1.90 1.85 1.05 1.26 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 41 D 8.68 4.56 0.00 2.76 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.71 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 0.00 0.00 0.00 43 G 7.88 3.73 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 0.00 0.00 0.00 44 F 8.57 4.90 0.00 2.92 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 45 K 7.90 4.30 0.00 1.72 1.46 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.50 7.81 46 V 7.44 3.31 1.73 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 0.96 0.00 0.00 0.08 0.00 0.00 47 E 7.93 3.95 0.00 2.18 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 2.26 2.29 0.00 48 S 7.99 4.19 0.00 4.12 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 0.00 49 I 7.64 3.88 2.09 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.88 1.06 0.00 0.00 50 I 7.95 3.73 2.08 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 1.44 0.88 0.96 0.00 0.00 51 Y 8.16 4.03 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 52 Q 8.45 4.16 0.00 2.36 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.60 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 53 V 8.09 3.82 2.30 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 1.01 0.00 0.00 1.02 0.00 0.00 54 E 8.52 4.09 0.00 1.94 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 2.37 2.57 0.00 55 N 7.85 4.52 0.00 2.38 2.66 0.00 0.00 7.06 7.67 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 56 G 8.24 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 57 K 9.09 4.12 0.00 1.86 1.71 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.25 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.40 7.81 58 G 8.81 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 0.00 0.00 0.00 59 A 9.00 4.10 1.28 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 0.00 0.00 0.00 60 M 8.20 4.38 0.00 2.29 2.03 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.67 0.00 61 P 0.00 4.58 0.00 1.36 1.66 0.00 3.88 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.97 0.00 62 A 7.84 4.45 1.18 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 0.00 0.00 63 W 8.61 4.46 0.00 3.60 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 64 A 7.73 4.09 1.34 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 65 D 7.98 4.63 0.00 2.61 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 66 R 8.03 4.48 0.00 2.05 2.11 0.00 2.84 0.00 0.00 2.64 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 67 L 7.91 4.92 0.00 1.74 1.72 0.76 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.81 4.65 0.00 4.05 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 69 E 8.66 3.97 0.00 2.11 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 0.00 2.39 2.45 0.00 70 E 8.11 4.09 0.00 2.24 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 2.36 2.40 0.00 71 E 8.03 4.00 0.00 2.34 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 2.32 2.35 0.00 72 I 7.90 3.75 2.03 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 1.58 0.85 1.01 0.00 0.00 73 Q 8.03 3.99 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 74 A 8.11 4.01 1.46 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 0.00 0.00 75 V 7.99 3.72 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 0.98 0.00 0.00 1.15 0.00 0.00 76 A 8.09 4.09 1.49 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 0.00 0.00 77 E 8.30 4.05 0.00 2.11 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 2.27 2.55 0.00 78 Y 8.31 4.01 0.00 3.15 3.25 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 79 V 8.36 3.52 2.45 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 1.29 0.00 0.00 1.38 0.00 0.00 80 F 8.35 4.24 0.00 3.20 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 81 K 8.29 3.75 0.00 1.85 1.91 0.00 1.50 0.00 0.00 1.54 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.21 7.81 82 Q 7.38 3.26 0.00 1.02 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.60 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 83 A 7.73 4.08 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.45 3.72 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 1.11 0.00 0.00 85 D 7.74 4.35 0.00 2.47 2.57 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 0.00 0.00 0.00 0.00 86 A 7.22 3.64 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 87 A 7.79 4.22 1.02 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 88 W 7.79 4.30 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 89 K 8.77 4.46 0.00 1.79 1.82 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.49 7.81 *90 Y 8.27 4.27 0.00 2.41 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.