NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.4645 8.1933 115.4126 57.5334 64.2504 175.1714 1 N 4.0080 8.2607 120.2980 56.1422 39.3722 174.4452 2 L 4.7816 7.6928 120.3957 52.9739 42.0817 174.1743 3 V 4.5134 7.2810 119.1779 63.1856 38.8913 175.5042 4 A 4.1029 8.3090 121.8883 55.4123 18.0340 179.4765 5 Q 3.9171 7.8315 117.0965 59.2394 29.0385 178.2026 6 L 4.0147 7.8814 119.5833 57.9584 41.7782 179.2320 7 E 4.0284 8.8560 118.8787 59.2937 29.4482 179.0581 8 N 4.4086 8.3466 116.6848 55.9346 38.4426 177.1644 9 E 3.9399 8.0387 120.6381 58.9759 29.7329 178.6898 10 V 3.5316 7.5246 118.2525 66.0249 31.6493 177.4746 11 A 3.9755 7.7994 120.1413 55.4456 18.1137 179.5810 12 S 4.0048 8.0689 111.0981 61.6991 62.4815 176.3453 13 L 4.0533 8.1795 121.7948 57.8459 41.1550 178.9789 14 E 3.9407 8.3085 118.7671 59.7394 29.3556 178.8912 15 N 4.2744 8.1789 116.0517 56.6336 39.2453 176.6327 16 E 3.9061 8.5535 121.1385 59.4675 29.6497 178.6988 17 N 4.3551 8.4592 116.7204 56.3059 38.6184 177.1655 18 E 3.9385 8.5204 121.0701 59.4190 29.6462 178.8560 19 T 3.8101 8.1664 116.1126 66.6931 68.5306 176.3040 20 L 3.9876 7.8732 121.7202 58.1010 42.0641 179.0084 21 K 3.9708 8.4645 119.9728 59.0640 31.8510 178.9691 22 K 4.0916 7.8335 118.7171 59.0304 32.0400 179.4868 23 K 4.0578 8.1382 119.0284 59.2325 31.9742 179.2170 24 N 4.3262 8.4425 117.0417 56.4792 38.5454 177.4535 25 L 4.0394 8.0163 120.1609 58.0319 41.5174 179.1831 26 H 4.3014 7.9665 118.2189 58.9956 29.7207 177.3900 27 K 3.9341 7.9074 119.9845 59.2619 31.8401 179.3948 28 K 3.9128 8.0269 118.7685 59.4812 32.1061 178.8547 29 D 4.2914 7.8378 118.6597 57.4495 40.7283 178.9833 30 L 4.0679 8.0513 119.3668 58.0262 41.5814 179.5880 31 I 3.6769 8.0211 119.6582 64.3298 36.9848 178.2807 32 A 3.8211 7.9150 121.4358 55.4434 18.1363 179.2144 33 Y 4.3031 7.6887 114.3078 60.4726 38.0138 178.1942 34 L 4.0307 8.3795 120.8909 57.8834 41.8324 179.3075 35 E 4.0290 8.5254 118.7818 58.8739 29.2990 179.4043 36 K 3.9305 7.8217 119.4839 59.6565 32.3743 178.5766 37 E 4.0049 8.4022 118.9998 59.7100 29.3724 179.6148 38 I 3.7191 7.8815 119.4508 64.3285 36.9441 178.3828 39 A 4.0397 7.7461 120.3598 54.8511 17.8918 179.0873 40 N 4.3958 8.1048 115.7600 56.9028 39.1648 177.1983 41 L 4.0194 7.8609 120.3546 57.9929 41.5658 179.6747 42 R 3.9580 7.9742 117.9397 59.2356 29.5945 179.0545 43 K 4.0020 7.7981 118.4212 59.1674 32.0253 178.4223 44 K 4.4362 7.8547 116.4089 57.4878 31.9707 177.5497 45 I 4.5972 7.2267 110.1112 60.2876 39.4072 174.7973 46 E 4.0785 7.8730 126.3045 56.9418 29.3399 176.3363 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 0 S 8.19 4.46 0.00 4.02 4.14 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 1 N 8.26 4.01 0.00 2.85 2.93 0.00 0.00 6.50 5.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 L 7.69 4.78 0.00 1.57 1.58 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 3 V 7.28 4.51 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 0.87 0.00 0.00 0.93 0.00 0.00 4 A 8.31 4.10 1.37 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 0.00 0.00 5 Q 7.83 3.92 0.00 2.30 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 6 L 7.88 4.01 0.00 1.91 1.70 0.92 0.97 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 E 8.86 4.03 0.00 2.14 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 2.51 0.00 8 N 8.35 4.41 0.00 2.95 2.86 0.00 0.00 6.60 7.12 0.00 0.00 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 E 8.04 3.94 0.00 2.13 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 2.30 2.31 0.00 10 V 7.52 3.53 2.08 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 1.03 0.00 0.00 0.93 0.00 0.00 11 A 7.80 3.98 1.44 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 0.00 0.00 0.00 12 S 8.07 4.00 0.00 4.00 3.99 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 13 L 8.18 4.05 0.00 1.72 1.71 0.92 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.31 3.94 0.00 2.20 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.47 0.00 15 N 8.18 4.27 0.00 2.81 2.81 0.00 0.00 6.98 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.55 3.91 0.00 2.06 2.03 0.00 0.00 0.00 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 2.36 0.00 17 N 8.46 4.36 0.00 2.95 2.84 0.00 0.00 6.71 8.14 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 18 E 8.52 3.94 0.00 2.09 2.03 0.00 0.00 0.00 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 2.40 0.00 19 T 8.17 3.81 4.41 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 1.21 0.00 0.00 20 L 7.87 3.99 0.00 1.90 1.81 0.93 0.59 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 21 K 8.46 3.97 0.00 2.04 1.90 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.48 7.81 22 K 7.83 4.09 0.00 1.99 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.76 7.81 23 K 8.14 4.06 0.00 1.98 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.59 7.81 24 N 8.44 4.33 0.00 3.00 2.87 0.00 0.00 6.99 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.02 4.04 0.00 1.87 1.75 0.93 0.78 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 26 H 7.97 4.30 0.00 3.25 3.49 0.00 5.79 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 27 K 7.91 3.93 0.00 2.02 1.84 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.66 7.81 28 K 8.03 3.91 0.00 1.97 1.82 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.69 7.81 29 D 7.84 4.29 0.00 2.86 2.82 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 0.00 0.00 0.00 0.00 30 L 8.05 4.07 0.00 1.84 1.73 0.94 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.02 3.68 1.97 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 1.44 0.77 0.88 0.00 0.00 32 A 7.91 3.82 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.69 4.30 0.00 3.08 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 34 L 8.38 4.03 0.00 1.92 1.73 0.93 0.81 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 35 E 8.53 4.03 0.00 2.14 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 2.31 2.60 0.00 36 K 7.82 3.93 0.00 2.02 2.04 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.15 0.00 0.00 3.41 0.00 0.00 0.00 0.00 1.48 1.54 7.81 37 E 8.40 4.00 0.00 2.24 2.02 0.00 0.00 0.00 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 2.76 0.00 38 I 7.88 3.72 2.02 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 1.46 0.74 0.91 0.00 0.00 39 A 7.75 4.04 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.10 4.40 0.00 2.84 3.07 0.00 0.00 7.13 6.70 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 41 L 7.86 4.02 0.00 1.75 1.70 0.96 1.01 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 42 R 7.97 3.96 0.00 1.84 1.99 0.00 3.29 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.77 0.00 43 K 7.80 4.00 0.00 2.13 1.88 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.48 7.81 44 K 7.85 4.44 0.00 1.98 1.84 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.69 7.81 45 I 7.23 4.60 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 1.38 0.74 0.91 0.00 0.00 46 E 7.87 4.08 0.00 2.00 1.88 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 0.00 2.32 2.26 0.00