NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4226 8.3049 120.3082 54.9374 33.4344 174.6344 2 D 4.5382 8.3688 118.8507 54.0072 41.3834 174.8424 3 W 4.2606 9.5781 122.4247 56.6787 30.8074 176.0794 4 E 4.2523 9.3650 123.6525 56.5749 30.5540 176.1046 5 E 5.0168 8.7686 121.8350 55.0490 31.1161 175.9555 6 R 4.5085 8.7666 124.3647 55.0261 32.7163 175.3334 7 E 4.6923 8.3309 118.8816 54.7012 33.1445 176.0589 8 N 3.9852 8.3602 114.4583 53.8687 35.4756 172.0716 9 P 4.5122 0.0000 0.0000 60.5178 33.6689 176.5503 10 K 4.2156 8.1597 120.4372 56.7525 32.8037 175.5752 11 R 5.0012 8.5481 120.8212 55.3809 33.3955 173.4936 12 L 5.3533 9.1808 121.2783 53.8889 43.5466 175.9831 13 V 5.3898 9.3428 123.3243 61.3699 35.3399 174.0643 14 K 4.5679 8.9918 127.0566 55.1586 35.7045 174.3934 15 T 5.0799 8.0126 116.6386 60.0135 71.2162 173.4987 16 F 4.5608 9.4493 122.4499 55.6222 42.0713 174.1428 17 A 5.0744 8.1246 124.7019 50.6079 21.2322 175.6857 18 F 4.7946 8.6175 117.7071 55.1836 43.7270 174.0716 19 P 4.4203 0.0000 0.0000 64.4192 32.1058 175.4078 20 N 3.1400 6.9670 114.9670 50.6304 39.4147 173.8265 21 F 4.0735 8.3018 118.1829 61.3287 39.7023 178.3597 22 R 3.8780 8.0846 115.3100 59.6851 29.0749 178.5220 23 E 3.8676 8.6927 119.1855 58.5492 29.2671 179.2676 24 A 2.5800 7.1630 120.5065 54.5537 18.5368 179.2297 25 L 3.5554 7.2974 118.9250 58.1542 41.9370 178.8270 26 D 4.2455 8.0083 119.0949 57.3482 40.7597 178.6493 27 F 4.0450 7.8803 120.8009 61.1122 39.2866 176.8997 28 A 3.7619 8.0183 120.6259 55.2917 17.9963 179.3852 29 N 4.1893 8.0877 114.8393 56.4139 38.5299 177.8941 30 R 3.7839 7.4182 119.4491 59.0881 29.9992 179.2754 31 V 3.5776 7.3689 118.2907 65.7235 31.4583 178.3703 32 G 3.5073 8.2415 105.7735 47.7074 0.0000 175.5870 33 A 4.0029 8.2371 123.4913 54.6583 18.3529 179.5224 34 L 3.8672 7.9748 118.7844 58.2010 42.1899 178.9730 35 A 4.3175 8.2556 122.3422 54.8673 18.1167 179.5450 36 E 3.9837 8.1549 115.9431 59.3441 29.5541 179.2519 37 R 4.0145 7.8111 118.2527 59.0192 30.3177 177.6309 38 E 4.2102 8.1609 115.3393 55.1996 30.5731 175.2884 39 N 4.0653 7.9347 116.8473 54.0395 37.5604 173.8978 40 H 4.6750 7.5966 115.8880 55.1066 33.1588 171.0967 41 H 4.9531 8.5312 123.8787 53.4830 30.8600 172.2026 42 P 4.3473 0.0000 0.0000 61.4003 33.8738 174.0757 43 R 4.4834 8.3062 119.9346 54.5872 31.8499 174.4509 44 L 5.2757 8.4926 125.9988 53.2444 44.3530 175.8867 45 T 4.5964 8.8866 119.9296 61.8276 71.2991 173.0362 46 V 4.9241 8.4688 126.7726 61.0320 33.8506 174.2335 47 E 5.0756 8.9650 124.4580 54.6298 33.8152 174.1337 48 W 4.5030 9.1950 129.9562 59.1702 30.9751 176.0155 49 G 4.3332 9.5199 113.2966 45.7227 0.0000 172.3774 50 R 5.2140 7.7449 118.1154 55.3420 34.3725 173.6254 51 V 5.0269 9.1822 124.5360 61.5778 34.8494 174.0500 52 T 5.1200 9.1736 125.1143 61.9351 70.9831 173.5126 53 V 4.7627 9.0762 126.6318 61.1343 34.3565 173.9857 54 E 5.4630 8.9130 126.8701 54.4404 33.0144 174.7156 55 W 5.4245 9.5095 125.0269 54.7808 31.7703 174.8091 56 W 5.5143 8.6395 119.7861 56.8778 30.7290 174.1999 57 T 4.3749 9.3456 118.9697 62.6599 68.8778 175.4608 58 H 4.2085 9.1017 125.1123 59.0022 28.8760 178.3293 59 S 4.2351 8.2081 111.1490 60.3161 61.5644 174.5189 60 A 4.3888 8.1554 123.4540 51.4908 19.7129 178.3589 61 G 4.0414 8.7924 103.0525 45.5805 0.0000 174.2329 62 G 4.0574 7.2554 106.7309 44.6518 0.0000 172.8106 63 V 4.6447 8.5601 119.9893 62.0041 32.8413 176.0600 64 T 4.7527 9.0806 115.7677 58.7798 72.1319 174.2691 65 E 3.8546 8.7069 120.9571 59.3911 29.2131 178.3916 66 K 3.8887 7.5322 119.1954 59.5199 32.2584 178.5154 67 D 4.1148 7.8488 119.1568 57.3699 40.8613 178.9747 68 R 3.8159 7.7234 118.0407 59.0574 30.0461 178.8529 69 E 3.8013 7.9236 118.4855 59.5912 29.4071 179.2934 70 M 3.4303 7.6761 118.7120 57.7293 31.6220 178.6674 71 A 2.9466 6.9564 120.8787 54.8148 18.3502 179.9489 72 R 3.9589 7.5027 116.2602 59.4436 29.9132 179.3763 73 L 4.0720 7.7292 117.7758 57.8332 41.7933 179.4584 74 T 4.2330 8.1130 116.1121 66.8432 68.3856 176.5113 75 D 4.7641 8.6811 120.7193 57.3864 40.7049 178.3548 76 A 4.2547 8.0205 119.4779 54.0000 18.3997 179.1292 77 L 4.1800 7.7678 117.6103 57.8180 41.7327 178.5231 78 L 3.9998 7.8062 120.9673 58.1754 42.0741 177.7448 *79 Q 4.1415 7.8083 120.5261 55.2661 28.7519 177.1225 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 M 8.30 4.42 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.54 0.00 2 D 8.37 4.54 0.00 2.80 2.72 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 3 W 9.58 4.26 0.00 3.24 3.34 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 4 E 9.37 4.25 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 2.32 2.26 0.00 5 E 8.77 5.02 0.00 1.86 1.93 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 2.29 2.38 0.00 6 R 8.77 4.51 0.00 1.76 1.81 0.00 3.08 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 7 E 8.33 4.69 0.00 1.87 1.79 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 2.17 2.21 0.00 8 N 8.36 3.99 0.00 2.74 2.74 0.00 0.00 6.87 8.02 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 9 P 0.00 4.51 0.00 1.78 1.82 0.00 3.23 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 1.05 0.00 10 K 8.16 4.22 0.00 1.79 1.73 0.00 1.76 0.00 0.00 1.89 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.57 7.81 11 R 8.55 5.00 0.00 2.27 1.78 0.00 2.55 0.00 0.00 2.31 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 12 L 9.18 5.35 0.00 1.83 1.90 0.80 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 13 V 9.34 5.39 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 1.16 0.00 0.00 1.06 0.00 0.00 14 K 8.99 4.57 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.76 0.00 0.00 2.25 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.54 7.81 15 T 8.01 5.08 4.19 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 1.18 0.00 0.00 16 F 9.45 4.56 0.00 3.06 2.58 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 17 A 8.12 5.07 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 18 F 8.62 4.79 0.00 2.85 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 19 P 0.00 4.42 0.00 2.14 2.14 0.00 3.98 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 20 N 6.97 3.14 0.00 2.40 2.52 0.00 0.00 5.87 8.12 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 21 F 8.30 4.07 0.00 3.48 3.22 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 22 R 8.08 3.88 0.00 2.08 2.29 0.00 3.04 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.70 0.00 23 E 8.69 3.87 0.00 1.98 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 2.29 2.41 0.00 24 A 7.16 2.58 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 25 L 7.30 3.56 0.00 1.09 1.51 0.80 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.01 4.25 0.00 2.73 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 27 F 7.88 4.04 0.00 2.87 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 28 A 8.02 3.76 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 29 N 8.09 4.19 0.00 2.88 2.80 0.00 0.00 7.01 7.08 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 30 R 7.42 3.78 0.00 1.54 1.80 0.00 3.17 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 31 V 7.37 3.58 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 1.09 0.00 0.00 0.30 0.00 0.00 32 G 8.24 3.51 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 0.00 0.00 0.00 33 A 8.24 4.00 1.32 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 0.00 0.00 34 L 7.97 3.87 0.00 1.78 1.92 0.88 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.26 4.32 1.51 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 0.00 0.00 36 E 8.15 3.98 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 2.37 2.45 0.00 37 R 7.81 4.01 0.00 1.89 2.12 0.00 3.23 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 38 E 8.16 4.21 0.00 1.91 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 0.00 2.35 2.32 0.00 39 N 7.93 4.07 0.00 2.80 2.81 0.00 0.00 6.83 8.04 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 40 H 7.60 4.67 0.00 3.11 3.01 0.00 5.88 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 8.53 4.95 0.00 2.98 3.09 0.00 5.93 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.35 0.00 1.18 0.49 0.00 3.60 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.42 0.00 43 R 8.31 4.48 0.00 1.98 2.03 0.00 3.19 0.00 0.00 3.44 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 44 L 8.49 5.28 0.00 1.48 1.50 0.80 0.70 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 45 T 8.89 4.60 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 46 V 8.47 4.92 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 0.44 0.00 0.00 0.86 0.00 0.00 47 E 8.96 5.08 0.00 2.26 2.15 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 2.45 2.41 0.00 48 W 9.19 4.50 0.00 3.59 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 49 G 9.52 4.33 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 0.00 50 R 7.74 5.21 0.00 1.96 1.81 0.00 3.05 0.00 0.00 3.12 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 51 V 9.18 5.03 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.99 0.00 0.00 52 T 9.17 5.12 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 1.29 0.00 0.00 53 V 9.08 4.76 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 0.87 0.00 0.00 1.15 0.00 0.00 54 E 8.91 5.46 0.00 2.23 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 0.00 2.36 2.38 0.00 55 W 9.51 5.42 0.00 3.19 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 56 W 8.64 5.51 0.00 3.48 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 57 T 9.35 4.37 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 1.31 0.00 0.00 58 H 9.10 4.21 0.00 3.16 3.40 0.00 5.82 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.21 4.24 0.00 4.01 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 60 A 8.16 4.39 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.79 4.04 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 0.00 62 G 7.26 4.06 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 0.00 0.00 0.00 63 V 8.56 4.64 2.14 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 0.91 0.00 0.00 1.09 0.00 0.00 64 T 9.08 4.75 4.24 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 1.26 0.00 0.00 65 E 8.71 3.85 0.00 2.01 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 2.41 2.32 0.00 66 K 7.53 3.89 0.00 1.83 1.53 0.00 1.47 0.00 0.00 1.49 0.00 0.00 2.91 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.08 1.00 7.81 67 D 7.85 4.11 0.00 2.92 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 68 R 7.72 3.82 0.00 1.89 1.86 0.00 3.09 0.00 0.00 3.32 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 69 E 7.92 3.80 0.00 1.96 1.80 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 2.21 2.38 0.00 70 M 7.68 3.43 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.35 0.00 71 A 6.96 2.95 -0.05 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 72 R 7.50 3.96 0.00 1.97 1.97 0.00 3.09 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 73 L 7.73 4.07 0.00 1.60 1.68 0.78 0.73 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 74 T 8.11 4.23 5.13 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 1.67 0.00 0.00 75 D 8.68 4.76 0.00 3.12 2.94 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 0.00 0.00 0.00 76 A 8.02 4.25 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 77 L 7.77 4.18 0.00 2.01 1.91 0.75 1.01 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 78 L 7.81 4.00 0.00 1.68 1.75 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 *79 Q 7.81 4.14 0.00 1.82 1.91 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 2.18 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.