NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 I 3.9191 8.0249 121.4508 59.9596 39.1527 172.4111 6 Q 3.2683 8.0804 124.8147 54.8941 25.2258 170.9492 7 I 3.9717 7.9017 124.4355 59.8297 38.9230 174.6736 8 P 4.4335 0.0000 0.0000 61.5252 31.9828 173.9120 9 P 4.2142 0.0000 0.0000 64.7155 31.6878 176.5944 10 G 4.0709 9.0610 111.7086 45.3078 0.0000 175.0485 11 L 3.8864 7.7654 121.2961 58.6219 42.0975 178.8572 12 T 3.8681 7.9033 112.3070 65.1849 66.7875 175.4672 13 E 4.0093 8.2460 119.9573 59.5211 29.6706 179.0849 14 L 4.2527 7.9765 118.7754 58.1627 41.7901 179.7722 15 L 4.2591 8.2272 118.7004 57.8334 41.4171 179.6049 16 Q 4.1955 8.2903 118.1115 58.5720 28.4479 178.4676 17 G 3.7609 8.5104 107.2280 48.1558 0.0000 175.0529 18 Y 2.9326 7.8650 121.5176 60.2655 38.7266 178.2482 19 T 3.6922 7.9420 116.9883 66.4643 68.5099 177.0824 20 V 3.5662 7.9884 121.4154 64.8627 31.2460 178.2244 21 E 3.9251 7.6796 117.6959 58.4866 29.3496 179.2708 22 V 2.9483 7.3379 118.5465 65.8220 31.3231 178.0967 23 L 3.8850 7.5127 117.2675 57.5901 41.4681 179.3401 24 R 3.9432 7.8354 117.8244 59.3512 30.2647 177.9944 25 Q 4.1046 8.0529 115.2152 55.0936 30.4812 175.8540 26 Q 3.1301 7.5132 116.8733 56.1896 26.4456 171.9415 27 P 4.3749 0.0000 0.0000 61.4613 32.6867 176.0637 28 P 4.3181 0.0000 0.0000 64.9909 31.8336 176.6081 29 D 4.7063 7.8125 117.8587 51.5845 44.2769 175.5856 30 L 4.2107 8.6882 127.3435 57.8032 41.7230 179.7034 31 V 3.6831 7.9168 117.8085 66.0416 31.6088 177.4957 32 D 4.4378 8.5517 118.6899 57.6478 40.6685 178.8098 33 F 4.2448 8.6552 120.7696 61.0232 39.3776 176.8653 34 A 4.0385 8.5164 120.6612 55.2428 18.2310 179.7620 35 V 3.5554 8.0060 116.6116 66.0724 31.6557 177.6350 36 E 3.8391 8.3490 119.2086 59.5159 29.4006 178.1378 37 Y 3.6040 7.9834 119.6892 60.7330 38.8077 178.1252 38 F 4.1659 8.0368 118.3896 60.2865 38.9801 178.0643 39 T 3.8499 7.8697 115.6446 66.7802 68.3296 176.7525 40 R 3.8272 7.8045 119.8409 59.0590 29.9543 178.8010 41 L 3.7297 7.7059 120.3057 58.2177 42.0505 179.1198 42 R 3.8552 8.0585 118.5434 59.2590 29.8925 178.1566 43 E 3.8935 8.1917 119.0838 59.0125 29.6830 178.4198 44 A 3.9359 8.3873 121.2847 55.2520 18.4788 179.5051 45 R 3.8267 8.2046 117.3057 59.5989 30.1566 178.6629 46 R 4.0116 8.1578 118.5674 59.2811 29.7242 178.4294 47 G 3.7728 8.2756 105.7296 48.1575 0.0000 175.5728 48 L 4.1105 7.9208 122.7225 58.0304 41.6838 179.8420 49 E 4.1960 7.9774 117.1687 60.6252 29.8473 180.2786 50 H 4.7032 8.0950 112.9837 57.1208 29.1645 176.7887 51 H 4.1793 7.7084 122.6801 59.8940 29.9798 175.0633 *52 H 4.5290 7.9999 119.8279 54.7004 28.5947 174.6381 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 5 I 8.02 3.92 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 1.41 1.07 0.91 0.00 0.00 6 Q 8.08 3.27 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.91 0.00 0.00 0.00 0.00 0.00 2.25 2.50 0.00 7 I 7.90 3.97 1.88 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 1.47 0.74 0.92 0.00 0.00 8 P 0.00 4.43 0.00 2.21 2.17 0.00 3.71 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 2.06 1.97 0.00 9 P 0.00 4.21 0.00 2.06 2.07 0.00 3.66 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 2.03 2.11 0.00 10 G 9.06 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.77 3.89 0.00 1.67 1.81 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 12 T 7.90 3.87 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 1.23 0.00 0.00 13 E 8.25 4.01 0.00 2.31 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 2.44 2.51 0.00 14 L 7.98 4.25 0.00 2.15 1.90 1.11 0.72 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 15 L 8.23 4.26 0.00 1.91 1.82 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 8.29 4.20 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 17 G 8.51 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 18 Y 7.86 2.93 0.00 2.54 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 19 T 7.94 3.69 4.38 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 1.18 0.00 0.00 20 V 7.99 3.57 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 0.84 0.00 0.00 0.90 0.00 0.00 21 E 7.68 3.93 0.00 1.93 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 0.00 2.51 2.68 0.00 22 V 7.34 2.95 1.84 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 0.83 0.00 0.00 0.15 0.00 0.00 23 L 7.51 3.89 0.00 1.70 1.64 0.87 0.75 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 24 R 7.84 3.94 0.00 1.83 1.87 0.00 3.30 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 25 Q 8.05 4.10 0.00 1.66 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.21 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 26 Q 7.51 3.13 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.91 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 27 P 0.00 4.37 0.00 2.09 1.57 0.00 3.50 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.08 0.00 28 P 0.00 4.32 0.00 2.21 2.22 0.00 3.70 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.95 0.00 29 D 7.81 4.71 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 30 L 8.69 4.21 0.00 1.84 1.91 0.99 0.88 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 31 V 7.92 3.68 2.27 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 1.11 0.00 0.00 0.98 0.00 0.00 32 D 8.55 4.44 0.00 3.00 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.66 4.24 0.00 3.25 3.23 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 34 A 8.52 4.04 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.01 3.56 2.24 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 1.01 0.00 0.00 0.97 0.00 0.00 36 E 8.35 3.84 0.00 2.13 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 0.00 2.38 2.31 0.00 37 Y 7.98 3.60 0.00 1.84 2.41 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.04 4.17 0.00 3.25 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 39 T 7.87 3.85 4.37 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 1.19 0.00 0.00 40 R 7.80 3.83 0.00 1.74 1.85 0.00 3.27 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 1.77 1.73 0.00 41 L 7.71 3.73 0.00 1.23 1.67 0.83 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.06 3.86 0.00 2.03 2.05 0.00 3.14 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 1.62 1.63 0.00 43 E 8.19 3.89 0.00 2.11 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 2.27 2.29 0.00 44 A 8.39 3.94 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 45 R 8.20 3.83 0.00 1.95 2.15 0.00 3.11 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 46 R 8.16 4.01 0.00 1.93 1.99 0.00 3.14 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 47 G 8.28 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 0.00 0.00 0.00 48 L 7.92 4.11 0.00 1.82 1.75 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.98 4.20 0.00 2.10 1.86 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 2.26 2.22 0.00 50 H 8.10 4.70 0.00 3.21 3.40 0.00 5.82 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 H 7.71 4.18 0.00 3.32 3.45 0.00 5.98 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *52 H 8.00 4.53 0.00 2.72 2.86 0.00 5.92 0.00 0.00 0.00 0.00 6.91 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.