NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.4456 8.2233 120.5193 54.7324 41.9062 178.0996 2 Y 4.2857 8.3914 122.8142 60.2371 38.0028 175.5960 3 L 4.1746 8.8314 121.5678 57.7934 42.2348 178.9575 4 R 3.9834 8.0828 117.4611 59.6173 30.0404 178.8973 5 E 4.1320 7.8039 114.8107 59.1494 29.3375 179.4918 6 L 4.0391 8.1654 119.3495 58.1090 41.5293 179.1142 7 Y 4.0505 8.4818 116.7963 60.6857 37.6651 178.3863 8 K 4.0284 8.0878 120.1921 59.4725 32.3142 178.4358 9 L 3.9548 8.1606 120.5709 58.4767 42.0787 178.8513 10 E 4.0281 8.4224 118.3460 59.3786 29.4125 179.2673 11 Q 4.0095 8.2407 119.9658 59.1593 29.0679 177.8689 12 Q 4.0342 8.4141 120.5469 58.5648 29.0197 177.8174 13 A 4.0610 8.3117 122.5679 55.3868 18.3952 179.2186 14 M 4.0258 8.0580 117.1508 59.3552 31.6552 178.1010 15 K 3.8189 8.0565 118.2051 60.1629 32.2247 178.0776 16 L 3.9650 9.1231 119.0293 58.2662 41.7535 179.6237 17 Y 4.0652 8.1488 116.4220 61.0486 37.7620 177.9505 18 R 4.0188 8.6936 119.3137 58.5394 30.2855 177.0036 19 E 4.6163 7.9128 113.4846 56.0187 31.1469 177.1224 20 A 4.2045 7.8348 121.0458 53.8259 18.4153 178.7645 21 S 4.3662 7.8637 111.8846 60.4137 62.4611 175.8690 22 E 4.0013 7.7352 120.5608 59.1822 29.2931 177.6586 23 R 3.9914 8.1266 116.8464 57.1620 30.5265 177.2623 24 V 3.5612 6.6686 120.5325 64.9642 32.2960 177.3793 25 G 4.0825 8.2300 104.6226 45.6159 0.0000 172.3574 26 D 4.4632 7.5527 118.7885 52.7888 41.5742 175.5078 27 P 4.2904 0.0000 0.0000 65.3515 31.6552 178.3716 28 V 3.6767 8.6855 119.5929 66.1302 31.4192 177.4625 29 L 3.9271 7.5949 118.4619 58.3013 41.5398 179.6628 30 A 3.9667 7.9123 119.6772 54.7970 18.1582 179.6994 31 K 3.8704 8.0243 117.0405 59.5230 32.3412 179.3893 32 I 3.5890 7.3521 119.5799 64.2114 36.9605 177.8694 33 L 3.7019 7.6121 121.1685 58.3201 41.6916 179.0067 34 E 4.2367 7.7888 119.7291 58.8910 29.3176 178.9896 35 D 4.0643 7.9401 119.0422 57.1388 40.7147 178.7006 36 E 3.6683 7.7285 118.6615 59.1060 29.3931 178.8083 37 E 3.8237 7.6457 118.7649 59.4809 29.5897 179.2758 38 K 3.6387 7.6101 119.2859 59.8746 31.9745 178.4565 39 H 3.8974 7.7224 116.3743 58.5910 28.3335 177.7715 40 I 3.4424 7.5260 120.9349 64.2612 37.0258 177.6643 41 E 4.1120 7.9741 120.0490 59.2882 29.4237 178.9543 42 W 4.5634 8.1394 118.7484 59.4399 29.2269 178.5904 43 L 4.0085 8.2003 119.2443 57.4871 40.7171 178.5624 44 E 4.5213 7.6808 116.3096 57.2799 29.5693 177.8501 45 T 4.4848 7.8391 115.0712 63.3509 69.2905 174.4689 46 I 4.0554 7.5165 127.3146 61.4498 37.3040 175.4771 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 D 8.22 4.45 0.00 2.81 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 0.00 0.00 0.00 0.00 2 Y 8.39 4.29 0.00 3.15 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.83 4.17 0.00 1.98 1.94 1.07 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 4 R 8.08 3.98 0.00 2.11 2.00 0.00 3.29 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 5 E 7.80 4.13 0.00 2.18 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 0.00 2.38 2.62 0.00 6 L 8.17 4.04 0.00 2.06 1.72 1.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.48 4.05 0.00 3.14 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 8 K 8.09 4.03 0.00 1.89 2.08 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.49 7.81 9 L 8.16 3.95 0.00 1.93 1.69 0.94 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.42 4.03 0.00 2.15 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 2.53 2.38 0.00 11 Q 8.24 4.01 0.00 2.47 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 12 Q 8.41 4.03 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 13 A 8.31 4.06 1.53 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 0.00 0.00 0.00 0.00 0.00 0.00 14 M 8.06 4.03 0.00 2.08 2.31 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 2.94 0.00 15 K 8.06 3.82 0.00 1.91 1.91 0.00 1.54 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.54 7.81 16 L 9.12 3.96 0.00 1.70 1.46 0.93 0.63 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 17 Y 8.15 4.07 0.00 3.30 2.93 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 18 R 8.69 4.02 0.00 2.08 2.01 0.00 3.21 0.00 0.00 3.28 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 19 E 7.91 4.62 0.00 2.41 2.13 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 2.30 2.26 0.00 20 A 7.83 4.20 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 21 S 7.86 4.37 0.00 3.95 4.10 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 0.00 0.00 0.00 0.00 22 E 7.74 4.00 0.00 2.14 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 2.35 2.53 0.00 23 R 8.13 3.99 0.00 1.80 1.77 0.00 3.40 0.00 0.00 3.15 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.55 0.00 24 V 6.67 3.56 2.23 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 0.95 0.00 0.00 0.93 0.00 0.00 25 G 8.23 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 0.00 0.00 0.00 26 D 7.55 4.46 0.00 2.83 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 27 P 0.00 4.29 0.00 2.20 2.18 0.00 3.82 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 28 V 8.69 3.68 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 1.07 0.00 0.00 0.95 0.00 0.00 29 L 7.59 3.93 0.00 1.95 1.84 1.05 0.78 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 30 A 7.91 3.97 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 31 K 8.02 3.87 0.00 1.85 1.81 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.68 1.59 7.81 32 I 7.35 3.59 1.16 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.60 0.14 0.00 0.00 33 L 7.61 3.70 0.00 1.73 1.74 0.90 1.03 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 34 E 7.79 4.24 0.00 2.19 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 2.26 2.13 0.00 35 D 7.94 4.06 0.00 2.66 2.37 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 36 E 7.73 3.67 0.00 1.87 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 2.41 2.30 0.00 37 E 7.65 3.82 0.00 2.01 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 2.27 2.47 0.00 38 K 7.61 3.64 0.00 1.49 1.48 0.00 1.42 0.00 0.00 1.77 0.00 0.00 3.16 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.30 0.58 7.81 39 H 7.72 3.90 0.00 3.31 3.15 0.00 5.70 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.53 3.44 1.98 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 1.49 0.72 0.96 0.00 0.00 41 E 7.97 4.11 0.00 2.03 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 0.00 2.51 2.44 0.00 42 W 8.14 4.56 0.00 3.40 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 43 L 8.20 4.01 0.00 1.33 1.18 0.43 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 44 E 7.68 4.52 0.00 2.20 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 0.00 2.60 2.57 0.00 45 T 7.84 4.48 4.36 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 1.20 0.00 0.00 46 I 7.52 4.06 1.99 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.74 0.95 0.00 0.00