NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.3604 8.2644 122.4645 51.9907 20.0433 175.9597 1 M 4.4109 8.5329 122.6343 53.5378 33.7499 173.2808 2 T 5.0343 9.0737 115.3510 59.4333 72.6069 174.3786 3 L 3.9204 9.0512 124.9845 58.1536 42.1991 179.3637 4 S 4.2383 8.0324 111.6705 60.2342 62.9555 174.3539 5 E 4.4087 7.9289 119.2932 55.8320 30.0116 175.7227 6 L 4.0648 7.7191 122.5818 54.0363 42.3576 175.0271 7 P 4.4090 0.0000 0.0000 61.8979 32.0022 175.9510 8 L 3.8450 8.3704 122.4231 57.1417 42.5339 176.5856 9 H 4.2511 8.9128 121.4994 57.5166 27.0072 174.3326 10 T 5.2671 7.6652 113.3665 61.8205 73.1348 173.8952 11 S 5.3891 8.9814 118.5287 57.0173 66.6329 172.5133 12 A 4.8651 8.7512 120.9378 51.0894 23.2384 175.0973 13 V 4.5974 8.7440 119.9976 61.3045 33.5139 175.6431 14 V 4.0877 8.8991 128.7410 63.5637 32.1939 175.4598 15 E 4.3511 9.1892 129.1161 57.1663 30.7004 175.4541 16 S 4.5943 7.2506 110.9917 58.0672 66.2705 173.7850 17 V 4.7712 8.4649 119.7299 61.1335 33.1866 174.4600 18 Q 4.6071 8.9948 126.9717 54.4200 30.0752 175.6486 19 D 4.5456 8.6378 122.9277 54.4309 41.5666 176.1192 20 L 4.2283 8.9100 125.1121 57.0879 42.5751 175.7422 21 H 4.7332 7.3478 111.0732 53.9015 31.1289 172.6643 22 A 3.9616 8.4220 122.7837 53.2915 19.1077 176.8237 23 N 3.9708 8.5164 117.8006 54.7304 37.0152 176.3858 24 D 4.4454 7.4643 118.1450 53.2010 41.7470 174.9734 25 A 4.0418 8.3513 129.9616 54.9307 18.5619 178.9865 26 I 3.6408 7.8163 117.8542 64.4464 37.2365 178.2862 27 A 3.9543 8.5662 121.9434 55.1808 18.1911 179.9381 28 R 3.8831 7.8318 116.2145 59.4497 30.1229 179.5118 29 R 3.9737 8.0971 117.9140 59.1404 30.1322 179.1497 30 L 4.0584 7.9690 118.8876 57.8300 41.4749 179.7013 31 R 4.0024 7.9885 118.0421 59.4406 29.8010 179.0308 32 E 4.0494 8.1242 117.1373 58.9092 29.5620 178.6129 33 L 4.2835 7.7461 117.2305 55.0917 41.8643 177.5721 34 G 3.9729 7.5519 106.7605 45.2945 0.0000 175.2577 35 F 4.3569 7.6319 119.2790 56.1526 37.4063 174.9411 36 V 4.5352 7.4035 117.1813 58.2232 35.5298 175.1447 37 K 4.3138 8.5038 122.4481 58.4786 32.1408 176.4676 38 G 4.0314 8.8315 115.0870 45.1532 0.0000 173.3362 39 E 4.1816 8.0725 120.9957 55.9252 30.9009 175.2115 40 E 5.0406 8.6210 126.8588 55.1486 31.2322 175.4497 41 V 4.8089 8.9448 125.6331 59.9827 35.1477 174.5249 42 R 5.0352 8.7207 121.4805 54.6288 33.9314 174.4103 43 M 4.5673 8.8817 124.3494 55.2610 32.1019 176.1641 44 V 3.5384 8.7751 127.1794 64.2966 32.4669 175.5739 45 A 4.3532 8.3018 121.2926 52.0195 20.7598 180.2910 46 K 4.5475 7.7805 122.1306 54.6628 34.7239 176.6454 47 G 3.9761 8.3322 105.7994 46.0826 0.0000 172.3931 *52 E 4.1922 7.9391 118.4046 55.3297 30.6039 173.6728 53 P 4.5713 0.0000 0.0000 62.6666 33.1015 175.7411 54 L 4.3962 8.9676 121.7549 53.6426 42.9174 175.9507 55 L 4.9309 8.5014 127.8304 54.1649 43.2302 175.3661 56 V 4.9832 9.0888 120.8188 59.6216 34.8750 174.6852 57 Q 5.1135 9.3616 125.6553 54.3191 31.8582 174.2972 58 V 4.3303 8.5134 125.9298 60.5817 34.1957 175.3873 59 G 3.5372 8.8033 118.7873 47.2513 0.0000 173.6302 60 F 5.0534 8.6484 120.6540 57.1228 39.4166 174.7523 61 T 4.4134 7.8639 117.6747 61.6226 70.7274 173.1215 62 R 4.9116 8.2294 124.8854 54.5111 32.1282 175.2916 63 F 4.9150 9.4578 123.3974 55.7039 41.5385 174.9161 64 A 4.9883 8.8778 126.0246 51.0264 19.2284 175.9952 65 L 5.0414 9.1520 122.3429 53.7634 44.8152 177.2527 66 R 4.5792 9.0520 119.0913 55.1066 31.1462 177.6622 67 I 3.6997 9.6867 121.2362 64.6292 36.7502 179.0309 68 S 4.1014 7.9687 113.4068 61.0231 63.2289 175.9367 69 E 4.0548 8.0213 121.8425 59.1144 29.5976 178.6235 70 A 3.8848 7.9491 120.7034 54.6744 18.1816 179.4053 71 K 3.9895 8.0341 117.3845 59.1004 32.4977 178.8113 72 R 4.1510 7.6781 118.0126 57.5995 29.9866 176.0220 73 V 4.1281 7.1746 120.0101 62.1175 32.6954 175.1814 74 V 4.6266 8.6852 129.0973 61.8649 32.9566 175.1453 75 V 4.9058 8.4989 120.5031 59.2610 35.5211 174.7374 76 D 4.5157 8.9870 123.0919 53.8229 41.0534 177.2065 77 A 3.9870 8.8905 129.3821 55.1766 18.7121 178.8997 78 A 4.1627 8.0664 117.2566 54.3144 18.6776 178.1885 79 S 4.4353 7.5691 108.6775 58.9545 63.7181 174.7442 80 Q 4.4859 7.3583 120.0406 56.9077 29.2452 176.1107 81 E 4.7430 8.9669 121.2493 54.8436 34.3579 174.7579 82 R 4.4352 8.7129 123.4282 56.1849 31.0131 175.9536 83 R 4.7396 8.8488 122.1190 54.0655 33.9981 175.9609 84 A 4.1960 8.3701 121.4994 52.6058 18.9948 177.2660 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 0 A 8.26 4.36 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 1 M 8.53 4.41 0.00 2.36 1.93 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.60 0.00 2 T 9.07 5.03 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 1.26 0.00 0.00 3 L 9.05 3.92 0.00 1.65 1.87 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.03 4.24 0.00 3.99 4.03 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 0.00 0.00 0.00 5 E 7.93 4.41 0.00 2.08 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 2.25 2.20 0.00 6 L 7.72 4.06 0.00 1.65 1.71 0.94 0.77 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 7 P 0.00 4.41 0.00 2.09 1.98 0.00 3.76 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 8 L 8.37 3.85 0.00 1.55 1.57 0.83 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 9 H 8.91 4.25 0.00 3.40 3.48 0.00 5.61 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 10 T 7.67 5.27 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 1.25 0.00 0.00 11 S 8.98 5.39 0.00 3.92 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 12 A 8.75 4.87 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 13 V 8.74 4.60 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 1.05 0.00 0.00 0.93 0.00 0.00 14 V 8.90 4.09 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 0.97 0.00 0.00 1.11 0.00 0.00 15 E 9.19 4.35 0.00 1.96 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 2.24 2.24 0.00 16 S 7.25 4.59 0.00 3.87 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 17 V 8.46 4.77 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 0.84 0.00 0.00 0.98 0.00 0.00 18 Q 8.99 4.61 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.62 0.00 0.00 0.00 0.00 0.00 2.42 2.28 0.00 19 D 8.64 4.55 0.00 2.65 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 20 L 8.91 4.23 0.00 1.53 1.75 0.99 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 21 H 7.35 4.73 0.00 3.21 3.24 0.00 5.78 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.42 3.96 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 23 N 8.52 3.97 0.00 2.87 2.88 0.00 0.00 6.97 8.47 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 24 D 7.46 4.45 0.00 2.76 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.35 4.04 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 26 I 7.82 3.64 1.97 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 1.56 0.67 0.85 0.00 0.00 27 A 8.57 3.95 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 28 R 7.83 3.88 0.00 2.02 1.98 0.00 3.13 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.87 0.00 29 R 8.10 3.97 0.00 1.96 1.97 0.00 3.29 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.81 0.00 30 L 7.97 4.06 0.00 1.78 1.58 0.69 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 31 R 7.99 4.00 0.00 2.03 1.99 0.00 3.12 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.97 0.00 32 E 8.12 4.05 0.00 2.09 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 2.35 2.35 0.00 33 L 7.75 4.28 0.00 1.79 1.42 0.69 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 34 G 7.55 3.97 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 0.00 0.00 0.00 35 F 7.63 4.36 0.00 3.21 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 36 V 7.40 4.54 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 0.82 0.00 0.00 0.94 0.00 0.00 37 K 8.50 4.31 0.00 1.84 1.74 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.46 7.81 38 G 8.83 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.07 4.18 0.00 2.08 1.91 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 2.33 2.22 0.00 40 E 8.62 5.04 0.00 2.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 41 V 8.94 4.81 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 0.85 0.00 0.00 1.14 0.00 0.00 42 R 8.72 5.04 0.00 1.79 1.85 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 1.54 1.54 0.00 43 M 8.88 4.57 0.00 2.32 1.99 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.64 0.00 44 V 8.78 3.54 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 0.83 0.00 0.00 0.97 0.00 0.00 45 A 8.30 4.35 1.22 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 0.00 0.00 46 K 7.78 4.55 0.00 1.90 1.78 0.00 1.58 0.00 0.00 1.96 0.00 0.00 3.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.48 7.81 47 G 8.33 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 0.00 0.00 0.00 *52 E 7.94 4.19 0.00 2.00 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 2.21 2.31 0.00 53 P 0.00 4.57 0.00 2.10 2.06 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 54 L 8.97 4.40 0.00 1.66 1.67 0.91 0.58 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 55 L 8.50 4.93 0.00 1.80 1.67 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 56 V 9.09 4.98 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 0.71 0.00 0.00 1.34 0.00 0.00 57 Q 9.36 5.11 0.00 2.08 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 58 V 8.51 4.33 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 0.70 0.00 0.00 0.57 0.00 0.00 59 G 8.80 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 F 8.65 5.05 0.00 3.04 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 61 T 7.86 4.41 4.13 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 0.46 0.00 0.00 62 R 8.23 4.91 0.00 1.58 1.81 0.00 3.16 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 1.62 1.59 0.00 63 F 9.46 4.91 0.00 3.11 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 64 A 8.88 4.99 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 65 L 9.15 5.04 0.00 1.54 1.52 0.74 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 66 R 9.05 4.58 0.00 2.08 2.05 0.00 2.77 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 67 I 9.69 3.70 1.92 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 1.57 0.70 0.89 0.00 0.00 68 S 7.97 4.10 0.00 4.00 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 69 E 8.02 4.05 0.00 2.11 1.91 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 2.34 2.33 0.00 70 A 7.95 3.88 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 71 K 8.03 3.99 0.00 1.89 1.81 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.45 7.81 72 R 7.68 4.15 0.00 1.96 1.92 0.00 3.07 0.00 0.00 3.00 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 73 V 7.17 4.13 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 0.78 0.00 0.00 0.43 0.00 0.00 74 V 8.69 4.63 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 0.83 0.00 0.00 0.91 0.00 0.00 75 V 8.50 4.91 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 0.74 0.00 0.00 0.99 0.00 0.00 76 D 8.99 4.52 0.00 2.75 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 77 A 8.89 3.99 1.31 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 0.00 0.00 0.00 78 A 8.07 4.16 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 79 S 7.57 4.44 0.00 3.99 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 80 Q 7.36 4.49 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.61 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 81 E 8.97 4.74 0.00 1.88 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.50 0.00 82 R 8.71 4.44 0.00 1.70 1.88 0.00 3.33 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 83 R 8.85 4.74 0.00 1.77 1.85 0.00 3.32 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 84 A 8.37 4.20 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 * Residues marked with a * may have inaccurate shift predictions.