NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.7226 8.4249 119.2055 53.1668 40.6191 174.0797 2 T 4.5129 7.6130 112.6806 59.6990 72.8405 169.3949 3 V 3.5733 8.6253 124.3137 66.0971 31.6558 178.1167 4 K 3.9461 7.9706 118.7664 59.4437 32.1781 178.4243 5 E 4.0120 8.1453 118.3248 59.4900 29.3864 179.0957 6 L 4.0960 8.2019 119.1360 58.0346 41.7599 179.9314 7 K 4.0096 7.9780 117.8199 59.2974 31.9267 179.3256 8 N 4.3941 7.9726 116.9238 56.4584 38.4589 176.8658 9 Y 4.3727 8.1158 120.9913 60.7024 38.8142 177.8900 10 I 3.4607 8.0947 121.1550 64.2447 37.0583 177.8845 11 Q 3.9291 8.0951 120.3555 59.4607 28.7526 178.6824 12 E 3.9723 8.0562 119.1985 59.4113 29.5026 179.2270 13 L 3.8456 8.0229 119.4212 57.9309 41.6209 179.5186 14 E 3.9781 8.3721 118.3919 58.8949 29.3441 179.3249 15 E 3.9098 7.8077 119.0260 59.4794 29.5843 179.2903 16 R 3.9026 8.1445 118.8226 59.1607 30.0184 177.9007 17 N 4.2099 8.3779 116.9628 56.5994 38.9142 176.6273 18 A 3.9615 7.9612 122.0049 55.1912 18.4167 179.3893 19 E 3.8873 8.2359 116.9844 59.5538 29.5987 179.6396 20 L 3.9562 8.4849 119.1012 57.8463 41.7351 179.6332 21 K 3.9338 8.1884 118.4465 59.5654 31.9274 178.9962 22 N 4.2731 8.1457 116.5321 56.2672 38.4668 176.9187 23 L 3.9245 8.0815 121.7056 58.2517 42.1355 178.8572 24 K 3.8132 8.5150 119.6403 59.6785 32.0951 178.3174 25 E 3.6463 8.1713 119.4677 59.1454 29.4804 178.1680 26 H 4.2491 8.3881 118.3936 59.5020 29.9457 177.2935 27 L 3.9726 8.1899 120.8834 57.4154 41.3408 179.4643 28 K 3.7961 7.9180 119.6577 59.5349 32.1554 178.8560 29 F 4.3792 7.7487 117.6346 60.5490 38.9838 177.3332 30 A 4.1710 8.1653 120.4549 55.2033 18.0913 179.5306 31 K 3.8563 8.4050 118.0166 59.6827 32.3105 178.6714 32 A 4.2186 8.0320 120.9803 55.5004 18.2580 179.5166 33 E 4.0410 8.4220 116.9377 59.4183 29.4136 179.6603 34 L 4.0610 7.9612 118.8219 57.8911 41.7734 179.2936 35 E 3.9872 8.6750 118.9771 59.1830 29.3183 179.3912 36 F 4.0225 8.3959 120.7625 61.3069 39.3690 176.7089 37 E 3.9094 8.2296 117.5776 59.4463 29.4004 178.3554 38 L 4.1728 8.2779 120.1252 58.0643 42.0932 178.8051 39 A 4.0074 7.9724 120.6072 55.0589 18.3697 179.2921 40 A 3.5920 8.1438 119.5251 55.6376 18.0203 179.5693 41 H 4.2251 7.7519 113.7353 58.3944 28.7844 177.0482 42 K 4.3535 8.1726 118.3452 55.6714 32.3997 176.3456 43 F 4.8114 7.5092 117.3307 55.5551 42.1985 175.1728 44 E 4.3148 8.6553 120.9372 56.7199 30.0733 176.0288 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 4.72 0.00 2.70 2.87 0.00 0.00 6.79 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 7.61 4.51 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 1.26 0.00 0.00 3 V 8.63 3.57 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 1.78 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.94 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 8.20 4.10 0.00 1.85 1.77 0.95 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 7 K 7.98 4.01 0.00 1.80 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 7.97 4.39 0.00 3.04 2.92 0.00 0.00 6.55 7.21 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 9 Y 8.12 4.37 0.00 3.01 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 3.46 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 1.31 0.56 0.86 0.00 0.00 11 Q 8.10 3.93 0.00 2.26 2.30 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 8.06 3.97 0.00 2.34 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 2.63 0.00 13 L 8.02 3.85 0.00 1.52 1.51 0.18 0.63 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 8.37 3.98 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 2.50 0.00 16 R 8.14 3.90 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 8.38 4.21 0.00 2.92 2.93 0.00 0.00 7.04 7.34 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 18 A 7.96 3.96 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.24 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 8.48 3.96 0.00 1.79 1.70 0.91 1.03 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 8.19 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 1.60 7.81 22 N 8.15 4.27 0.00 3.11 2.87 0.00 0.00 6.65 6.88 0.00 0.00 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 8.08 3.92 0.00 1.81 1.83 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.51 3.81 0.00 1.84 1.97 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 8.17 3.65 0.00 2.15 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 1.95 1.95 0.00 26 H 8.39 4.25 0.00 3.28 3.50 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 8.19 3.97 0.00 1.83 1.70 0.93 1.12 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 7.92 3.80 0.00 1.80 1.56 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 1.34 7.81 29 F 7.75 4.38 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 8.17 4.17 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 31 K 8.41 3.86 0.00 1.87 2.00 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.20 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.48 7.81 32 A 8.03 4.22 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.42 4.04 0.00 2.24 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 0.00 2.31 2.57 0.00 34 L 7.96 4.06 0.00 1.95 1.74 0.94 0.73 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 8.68 3.99 0.00 2.21 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 2.36 2.53 0.00 36 F 8.40 4.02 0.00 3.23 3.21 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 37 E 8.23 3.91 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 2.38 2.36 0.00 38 L 8.28 4.17 0.00 2.02 1.80 0.92 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.97 4.01 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 40 A 8.14 3.59 1.01 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 0.00 0.00 0.00 0.00 0.00 41 H 7.75 4.23 0.00 3.29 3.39 0.00 5.85 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.17 4.35 0.00 1.90 1.72 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.52 7.81 43 F 7.51 4.81 0.00 3.03 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 44 E 8.66 4.31 0.00 1.91 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 2.20 2.25 0.00