NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 27 M 4.3686 8.3044 118.1943 54.8063 32.5303 174.4792 28 D 4.3097 8.4724 120.1187 53.6786 41.5629 175.2659 29 L 4.3435 8.8540 127.6601 55.1841 42.9787 177.8972 30 A 3.9798 8.3729 122.4342 54.8628 18.3314 177.8515 31 P 4.1832 0.0000 0.0000 65.8979 31.4429 178.6676 32 Q 4.0100 8.0279 117.7734 59.2522 29.0095 177.9603 33 M 4.0499 8.1962 120.1315 58.2057 31.9350 178.3922 34 L 3.9532 8.0799 120.5200 58.2675 42.2519 179.2199 35 R 4.0814 8.0442 118.0118 59.3294 29.9319 178.9210 36 E 3.9841 8.2401 118.4284 59.3744 29.4433 179.3831 37 L 4.0025 7.9227 119.0356 57.9025 41.7906 179.6305 38 Q 4.0223 8.3527 118.1934 59.0077 28.6334 178.6527 39 E 4.0306 8.4059 119.7042 59.4903 29.3584 179.5198 40 T 3.8666 8.1062 115.9783 66.8262 68.5169 176.5118 41 N 4.3321 8.2593 118.0844 55.9768 38.5435 177.4805 42 A 3.9467 7.8549 121.8136 55.1592 18.5456 179.5915 43 A 3.9640 8.0272 119.4023 55.1488 18.3847 179.6514 44 L 3.9411 8.3312 119.3725 58.1244 42.1760 178.9734 45 Q 3.9472 8.2069 119.7996 59.2893 28.9623 177.9823 46 D 4.3610 8.0439 119.7488 57.3108 40.7396 178.9430 47 V 3.5772 7.8838 118.7601 66.0444 31.5192 178.2173 48 R 3.9143 8.1642 117.8651 59.4160 29.9603 178.9688 49 E 3.9895 8.1575 118.1654 59.2551 29.3772 179.3818 50 L 3.9696 8.1073 119.1788 57.7619 41.7323 179.3371 51 L 3.9317 8.1993 120.5435 58.0567 41.9988 178.9123 52 R 3.8907 7.9991 118.8046 59.4934 29.9870 178.3560 53 Q 4.0616 8.0789 119.2805 58.9705 28.9819 177.6991 54 Q 3.9351 8.3675 121.0143 59.2303 29.0108 178.4412 55 V 3.5872 7.9173 119.1679 66.0289 31.4894 178.0885 56 K 4.0026 7.7274 116.7378 59.5734 31.8592 179.1960 57 E 4.0156 8.1679 118.8522 59.5115 29.3117 179.5173 58 I 3.7965 8.0952 120.0799 64.5875 37.1303 178.6890 59 T 3.9042 8.3369 117.0806 66.5394 68.2514 176.5845 60 F 3.9160 8.5010 122.7389 61.0092 39.4257 176.9000 61 L 4.0540 8.2426 120.1407 57.9781 41.9136 178.7463 62 K 3.8817 8.3912 119.8885 59.8112 32.0277 178.4470 63 N 4.2635 8.1619 116.5651 56.5736 38.1533 177.5562 64 T 3.7698 7.6757 116.3317 66.6236 68.8551 176.5954 65 V 3.7369 7.9124 120.1566 66.1822 31.3255 178.0188 66 M 4.1248 8.0560 117.6222 57.6464 31.8259 177.4850 67 E 4.6151 7.4358 116.0795 55.1338 30.2542 175.5273 68 C 4.1963 7.7681 121.1282 59.2623 31.3507 173.5237 69 D 4.3272 8.8865 128.2463 57.4735 40.5579 178.4553 70 A 4.0959 7.9633 120.3712 54.4706 18.7490 176.9107 71 C 4.2965 8.0869 118.3291 60.0138 28.2841 173.4768 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 27 M 8.30 4.37 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 28 D 8.47 4.31 0.00 2.72 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.85 4.34 0.00 1.77 1.67 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.37 3.98 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 P 0.00 4.18 0.00 2.17 2.11 0.00 3.75 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 32 Q 8.03 4.01 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 33 M 8.20 4.05 0.00 2.09 2.25 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.54 0.00 34 L 8.08 3.95 0.00 1.76 1.85 0.92 0.87 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 35 R 8.04 4.08 0.00 2.05 1.96 0.00 3.55 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.82 0.00 36 E 8.24 3.98 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 2.57 2.49 0.00 37 L 7.92 4.00 0.00 1.90 1.71 0.92 0.89 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 38 Q 8.35 4.02 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 39 E 8.41 4.03 0.00 2.13 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 2.48 2.49 0.00 40 T 8.11 3.87 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 41 N 8.26 4.33 0.00 2.88 2.87 0.00 0.00 6.96 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.85 3.95 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 43 A 8.03 3.96 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 44 L 8.33 3.94 0.00 1.87 1.83 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.21 3.95 0.00 2.22 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 46 D 8.04 4.36 0.00 2.93 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 7.88 3.58 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 1.12 0.00 0.00 0.98 0.00 0.00 48 R 8.16 3.91 0.00 2.10 1.97 0.00 3.18 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 49 E 8.16 3.99 0.00 2.19 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 2.33 2.55 0.00 50 L 8.11 3.97 0.00 1.84 1.71 0.94 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.20 3.93 0.00 1.83 1.86 0.92 1.17 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 52 R 8.00 3.89 0.00 2.10 2.08 0.00 3.15 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 1.63 1.64 0.00 53 Q 8.08 4.06 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.57 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 54 Q 8.37 3.94 0.00 2.24 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.56 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 55 V 7.92 3.59 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 1.08 0.00 0.00 1.02 0.00 0.00 56 K 7.73 4.00 0.00 2.10 1.88 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.68 7.81 57 E 8.17 4.02 0.00 2.17 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 2.55 2.48 0.00 58 I 8.10 3.80 2.03 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.88 0.93 0.00 0.00 59 T 8.34 3.90 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 60 F 8.50 3.92 0.00 3.24 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 61 L 8.24 4.05 0.00 2.05 1.94 0.98 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.39 3.88 0.00 1.93 1.98 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.48 7.81 63 N 8.16 4.26 0.00 2.60 2.65 0.00 0.00 7.11 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 T 7.68 3.77 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 65 V 7.91 3.74 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 1.03 0.00 0.00 0.99 0.00 0.00 66 M 8.06 4.12 0.00 2.00 2.22 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.56 0.00 67 E 7.44 4.62 0.00 1.94 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 2.24 2.30 0.00 68 C 7.77 4.20 0.00 2.97 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 69 D 8.89 4.33 0.00 2.70 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 A 7.96 4.10 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 71 C 8.09 4.30 0.00 3.10 2.84 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 0.00 0.00 0.00 0.00