NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.6877 8.4249 119.2047 53.6918 40.9810 175.6917 2 T 3.8202 7.7911 114.9922 62.5302 69.9907 169.9925 3 V 3.5755 8.6711 124.5567 66.0278 31.7328 178.0656 4 K 3.9455 7.9684 118.8237 59.4320 32.1686 178.4096 5 E 4.0137 8.1486 118.3218 59.5136 29.3896 179.0570 6 L 4.1007 8.1947 119.1283 58.0828 41.7626 179.9585 7 K 4.0193 7.9592 118.0710 59.2101 32.0166 179.3692 8 N 4.3749 7.9622 117.0104 56.5131 38.4957 176.8375 9 Y 4.3870 8.1314 120.9794 60.7406 38.7856 177.9951 10 I 3.4672 8.0929 121.1039 64.2620 37.0619 177.8766 11 Q 3.9290 8.1115 120.3465 59.4852 28.7736 178.7050 12 E 3.9786 8.0259 118.9767 59.3803 29.4925 179.2168 13 L 3.8552 8.0459 119.4356 57.9354 41.6287 179.5241 14 E 3.9718 8.4049 118.4303 58.8972 29.3305 179.3283 15 E 3.9058 7.8077 119.0436 59.4866 29.5547 179.2968 16 R 3.8946 8.1055 118.7690 59.1718 30.0146 177.8820 17 N 4.1995 8.3859 116.9609 56.6232 38.9082 176.6147 18 A 3.9630 7.9557 121.9892 55.2123 18.4571 179.4188 19 E 3.8859 8.2584 116.9952 59.5396 29.5757 179.6498 20 L 3.9637 8.5459 119.2093 57.8070 41.7492 179.6122 21 K 3.9253 8.2014 118.4957 59.5794 31.9415 178.9482 22 N 4.2878 8.1165 116.5159 56.2707 38.4599 176.8822 23 L 3.9244 8.0189 121.5468 58.2825 42.1519 178.8785 24 K 3.8130 8.4521 119.6586 59.6883 32.1025 178.3082 25 E 3.6536 8.2109 119.4350 59.1396 29.4616 178.1803 26 H 4.2563 8.3873 118.3941 59.5032 29.9523 177.3145 27 L 3.9715 8.1999 120.8825 57.3993 41.3537 179.4984 28 K 3.8036 7.8930 119.6610 59.5034 32.1467 178.8443 29 F 4.3920 7.7557 117.6295 60.5944 38.9981 177.3139 30 A 4.1746 8.1782 120.4563 55.2294 18.0431 179.5683 31 K 3.8717 8.4136 117.9655 59.6486 32.3174 178.6807 32 A 4.0647 8.0759 121.0046 55.5039 18.2890 179.5208 33 E 4.0519 8.4564 116.9266 59.4202 29.4015 179.6664 34 L 4.0783 7.9670 118.8093 57.8880 41.7782 179.2998 35 E 3.9947 8.6385 118.9280 59.1704 29.3296 179.3837 36 F 4.0850 8.4035 120.8042 61.3039 39.3710 176.7635 37 E 3.9294 8.2114 117.5532 59.3881 29.0899 178.3424 38 L 4.1656 8.2946 120.2046 58.0680 42.0686 178.7853 39 A 4.0073 8.0225 120.5799 55.0848 18.0934 179.2921 40 A 3.8199 7.9539 118.6239 55.6149 18.3061 179.0826 41 H 4.2368 7.5371 113.1479 58.5081 29.0208 176.0851 42 K 4.0675 7.4384 118.5534 56.6266 32.6947 176.5833 43 F 4.1673 8.8936 117.2772 57.9246 37.7287 175.3815 44 E 4.2995 8.5431 119.4936 57.1270 30.3135 175.4491 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 N 8.42 4.69 0.00 2.70 2.91 0.00 0.00 7.04 6.82 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 2 T 7.79 3.82 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 3 V 8.67 3.58 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 1.04 0.00 0.00 0.94 0.00 0.00 4 K 7.97 3.95 0.00 1.87 1.79 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.54 7.81 5 E 8.15 4.01 0.00 2.21 1.99 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 2.40 2.41 0.00 6 L 8.19 4.10 0.00 1.85 1.77 0.98 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 7 K 7.96 4.02 0.00 1.77 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.81 7.81 8 N 7.96 4.37 0.00 3.11 2.92 0.00 0.00 6.54 7.28 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 9 Y 8.13 4.39 0.00 2.99 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 10 I 8.09 3.47 2.00 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 1.32 0.60 0.86 0.00 0.00 11 Q 8.11 3.93 0.00 2.26 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 12 E 8.03 3.98 0.00 2.35 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 2.38 2.62 0.00 13 L 8.05 3.86 0.00 1.52 1.51 0.24 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.40 3.97 0.00 2.05 1.96 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 2.29 2.28 0.00 15 E 7.81 3.91 0.00 2.16 1.99 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 2.32 2.51 0.00 16 R 8.11 3.89 0.00 1.88 1.90 0.00 3.12 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 17 N 8.39 4.20 0.00 2.91 2.93 0.00 0.00 7.05 7.51 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 18 A 7.96 3.96 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 19 E 8.26 3.89 0.00 2.21 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 2.33 2.52 0.00 20 L 8.55 3.96 0.00 1.80 1.70 0.91 1.17 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 21 K 8.20 3.93 0.00 1.98 1.85 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.61 7.81 22 N 8.12 4.29 0.00 3.11 2.87 0.00 0.00 6.66 6.84 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 23 L 8.02 3.92 0.00 1.82 1.84 0.93 0.60 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 24 K 8.45 3.81 0.00 1.85 1.98 0.00 1.66 0.00 0.00 1.53 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.41 7.81 25 E 8.21 3.65 0.00 2.14 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 1.96 1.95 0.00 26 H 8.39 4.26 0.00 3.28 3.51 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.20 3.97 0.00 1.83 1.70 0.93 1.15 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 28 K 7.89 3.80 0.00 1.81 1.55 0.00 1.46 0.00 0.00 1.44 0.00 0.00 2.28 0.00 0.00 2.30 0.00 0.00 0.00 0.00 1.22 1.35 7.81 29 F 7.76 4.39 0.00 3.24 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 30 A 8.18 4.17 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 31 K 8.41 3.87 0.00 1.88 2.01 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.21 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.48 7.81 32 A 8.08 4.06 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 33 E 8.46 4.05 0.00 2.25 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 2.32 2.58 0.00 34 L 7.97 4.08 0.00 1.94 1.75 0.95 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 35 E 8.64 3.99 0.00 2.24 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 2.37 2.53 0.00 36 F 8.40 4.08 0.00 3.26 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 37 E 8.21 3.93 0.00 2.10 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 0.00 2.33 2.34 0.00 38 L 8.29 4.17 0.00 2.02 1.81 0.95 1.40 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 39 A 8.02 4.01 1.38 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 0.00 0.00 0.00 40 A 7.95 3.82 0.99 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 41 H 7.54 4.24 0.00 3.25 3.38 0.00 5.86 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 K 7.44 4.07 0.00 1.49 1.40 0.00 1.68 0.00 0.00 1.53 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.35 7.81 43 F 8.89 4.17 0.00 3.19 3.04 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 44 E 8.54 4.30 0.00 1.95 1.81 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 2.24 2.33 0.00