NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.7093 8.3033 116.3341 56.0931 29.8573 172.1789 2 M 2.9005 8.6448 115.6475 55.7731 29.2520 175.8914 3 L 4.3071 6.9627 116.2514 54.4254 43.6239 176.9624 4 T 4.2846 7.4668 107.7136 61.1211 69.8522 173.8227 5 Q 4.1323 8.7260 118.5195 59.8625 28.5558 177.1509 6 G 4.2890 7.4799 103.5378 44.7046 0.0000 175.0655 7 E 4.1648 8.7862 120.7826 57.7517 29.8936 177.9673 8 L 4.0352 7.5147 117.4617 55.7610 42.1069 177.6776 9 M 4.3400 7.5880 120.6079 58.5264 32.5330 177.4973 10 K 4.3669 7.8148 115.2564 57.1721 32.8318 177.3707 11 L 4.5204 8.0337 120.5187 55.9733 44.2522 178.9821 12 I 3.6094 7.5623 113.1148 63.3314 37.1692 177.7115 13 K 4.2265 7.8904 118.4777 57.5991 32.9605 177.4292 14 E 4.1967 7.9328 119.2275 57.0691 30.1462 176.6172 15 I 4.1947 7.2491 112.4623 62.8927 38.8626 178.0563 16 V 3.6438 7.3277 120.5451 65.3809 31.4978 176.8513 17 E 4.3514 7.8784 116.4945 56.7571 29.3218 176.5133 18 N 4.8837 8.1378 116.0086 53.1013 40.5485 174.8704 19 E 4.2049 7.5006 117.0923 57.0049 29.6539 176.7312 20 D 4.7183 8.0388 123.9526 52.4159 42.7593 176.2193 21 K 4.0134 8.4261 122.5252 58.6902 32.4362 178.3127 22 R 4.3149 7.8475 115.6970 57.0625 30.8516 177.1347 23 K 4.5939 7.7581 117.2097 54.2621 33.4086 173.9242 24 P 4.4582 0.0000 0.0000 62.3858 32.5509 177.1160 25 Y 4.3950 8.3610 117.2419 57.4755 39.3946 174.9032 26 S 4.8652 8.3163 114.4001 56.1137 67.5486 174.0867 27 D 4.3691 8.6797 121.3850 56.6543 38.6970 178.6306 28 Q 3.9561 8.0190 120.3068 59.1378 29.3866 177.7323 29 E 4.0339 7.9627 119.8231 59.4623 29.4651 179.3948 30 I 3.5467 8.1941 113.2858 64.0445 37.2379 178.0625 31 A 3.9654 7.5829 121.7382 54.6592 18.4272 178.9886 32 N 4.3926 8.1865 115.6224 57.1435 39.1733 177.3581 33 I 3.9571 7.6330 120.6582 64.2972 37.1503 178.3938 34 L 4.3713 7.8487 119.9626 57.0408 41.1831 178.9719 35 K 4.2480 7.8614 117.5555 58.5369 32.9874 177.5269 36 E 4.3285 8.0780 118.7463 56.9919 29.9732 177.0537 37 K 4.3858 8.6415 115.2316 55.2509 34.4679 177.5834 38 G 4.8018 7.0152 119.7509 46.1670 0.0000 172.4891 39 F 4.4750 7.5217 120.4542 57.8974 40.3657 176.7015 40 K 3.9959 7.8776 118.0102 57.4263 31.3033 174.7240 41 V 4.0167 7.0918 117.8072 61.4856 33.2521 176.8142 42 A 4.3885 8.1503 124.3287 51.2230 21.1450 178.5978 43 R 4.0368 8.4006 120.1251 59.5410 29.8030 178.9801 44 R 3.9908 7.9447 117.7229 59.0819 29.9443 178.8030 45 T 4.0482 7.7049 115.2501 66.3264 68.9424 177.4823 46 V 3.5714 7.5728 120.3205 64.3693 31.1952 178.3268 47 A 4.0059 7.9082 121.3111 55.1607 18.2802 179.7475 48 K 4.0779 7.7571 116.4848 58.8572 31.9938 179.1004 49 Y 3.9388 7.8280 117.8617 60.4746 38.3698 177.9607 50 R 3.9702 8.1293 116.7167 59.0040 29.0317 178.5078 51 E 3.9227 7.7720 120.1908 59.3560 29.7634 178.0947 52 M 4.1741 7.2429 115.1667 57.9689 31.6478 178.1034 53 L 4.1683 8.1251 119.7944 55.0221 41.9356 178.1153 54 G 4.9111 7.1311 115.3449 45.8894 0.0000 171.9428 55 I 4.2250 7.7252 122.2411 59.2849 38.0753 174.1465 56 P 4.4213 0.0000 0.0000 65.3899 31.3922 177.5655 57 S 4.5293 8.0239 108.0329 57.0557 67.5177 176.2224 58 S 3.9108 8.3575 115.5300 60.1269 62.2214 173.9597 59 R 3.9053 7.8306 119.8572 59.2722 29.6465 177.9825 60 E 4.0975 7.8784 115.7783 58.9809 29.8072 179.0106 61 R 4.0641 7.8602 118.3338 59.0681 30.3309 178.4059 62 R 3.9823 7.7508 117.4498 59.3219 30.3328 176.0295 63 I 3.8151 7.6575 122.0398 61.4027 37.9437 175.2722 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 H 8.30 4.71 0.00 3.34 3.54 0.00 5.77 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 M 8.64 2.90 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.54 0.00 3 L 6.96 4.31 0.00 1.64 1.69 1.06 1.02 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 4 T 7.47 4.28 4.28 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 1.31 0.00 0.00 5 Q 8.73 4.13 0.00 2.20 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.67 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 6 G 7.48 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.79 4.16 0.00 2.07 2.29 0.00 0.00 0.00 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 2.42 0.00 8 L 7.51 4.04 0.00 1.55 1.63 0.20 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 9 M 7.59 4.34 0.00 2.35 2.25 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.49 0.00 10 K 7.81 4.37 0.00 1.89 1.88 0.00 1.57 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.45 7.81 11 L 8.03 4.52 0.00 1.44 1.36 0.90 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 12 I 7.56 3.61 1.83 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.90 0.88 0.00 0.00 13 K 7.89 4.23 0.00 2.03 2.08 0.00 1.36 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.52 7.81 14 E 7.93 4.20 0.00 2.01 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 2.23 2.40 0.00 15 I 7.25 4.19 1.79 0.00 0.00 0.46 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 0.57 0.92 0.00 0.00 16 V 7.33 3.64 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 1.06 0.00 0.00 0.82 0.00 0.00 17 E 7.88 4.35 0.00 2.12 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 2.35 2.39 0.00 18 N 8.14 4.88 0.00 2.92 2.85 0.00 0.00 7.27 7.19 0.00 0.00 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 7.50 4.20 0.00 2.35 1.95 0.00 0.00 0.00 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 2.63 0.00 20 D 8.04 4.72 0.00 2.56 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.43 4.01 0.00 1.76 1.90 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.50 7.81 22 R 7.85 4.31 0.00 1.78 1.96 0.00 3.34 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 23 K 7.76 4.59 0.00 1.59 1.59 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.33 7.81 24 P 0.00 4.46 0.00 2.22 2.08 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.15 0.00 25 Y 8.36 4.39 0.00 2.94 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 26 S 8.32 4.87 0.00 4.01 3.96 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 27 D 8.68 4.37 0.00 2.98 3.01 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 28 Q 8.02 3.96 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.96 0.00 0.00 0.00 0.00 0.00 2.44 2.54 0.00 29 E 7.96 4.03 0.00 2.38 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 2.39 2.54 0.00 30 I 8.19 3.55 1.75 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 1.73 0.98 0.82 0.00 0.00 31 A 7.58 3.97 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 32 N 8.19 4.39 0.00 2.98 3.03 0.00 0.00 7.21 8.16 0.00 0.00 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 I 7.63 3.96 1.80 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.52 0.96 0.00 0.00 34 L 7.85 4.37 0.00 1.98 1.88 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 35 K 7.86 4.25 0.00 1.93 1.95 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.47 7.81 36 E 8.08 4.33 0.00 2.12 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 2.41 0.00 37 K 8.64 4.39 0.00 1.72 1.84 0.00 1.97 0.00 0.00 1.79 0.00 0.00 3.17 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.52 1.48 7.81 38 G 7.02 4.80 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 0.00 0.00 0.00 0.00 0.00 0.00 39 F 7.52 4.47 0.00 3.23 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 40 K 7.88 4.00 0.00 1.89 1.89 0.00 1.49 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.27 1.35 7.81 41 V 7.09 4.02 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 0.61 0.00 0.00 0.79 0.00 0.00 42 A 8.15 4.39 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.40 4.04 0.00 1.86 1.95 0.00 3.36 0.00 0.00 3.34 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 44 R 7.94 3.99 0.00 1.94 1.97 0.00 3.22 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.79 0.00 45 T 7.70 4.05 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 46 V 7.57 3.57 2.14 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 0.98 0.00 0.00 0.85 0.00 0.00 47 A 7.91 4.01 1.52 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 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.76 4.08 0.00 2.16 1.98 0.00 1.69 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.60 7.81 49 Y 7.83 3.94 0.00 3.08 3.02 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 50 R 8.13 3.97 0.00 2.11 2.23 0.00 2.84 0.00 0.00 3.12 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.93 0.00 51 E 7.77 3.92 0.00 2.05 2.20 0.00 0.00 0.00 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 2.31 0.00 52 M 7.24 4.17 0.00 2.29 2.02 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 53 L 8.13 4.17 0.00 1.70 1.72 0.92 0.72 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 54 G 7.13 4.91 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 0.00 0.00 0.00 0.00 0.00 0.00 55 I 7.73 4.23 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 1.36 0.62 0.94 0.00 0.00 56 P 0.00 4.42 0.00 2.18 2.17 0.00 3.81 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 57 S 8.02 4.53 0.00 3.97 3.96 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 58 S 8.36 3.91 0.00 4.11 4.05 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 0.00 0.00 0.00 59 R 7.83 3.91 0.00 1.88 1.93 0.00 3.17 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 60 E 7.88 4.10 0.00 2.14 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 2.31 2.39 0.00 61 R 7.86 4.06 0.00 1.95 2.03 0.00 3.22 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 62 R 7.75 3.98 0.00 1.88 2.17 0.00 3.43 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 63 I 7.66 3.82 1.96 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 1.16 0.80 0.94 0.00 0.00