NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.6602 8.4449 120.3863 56.4369 30.8656 171.9199 2 S 4.3774 7.3668 118.9705 56.9495 66.7380 173.9981 3 D 4.1655 8.8303 121.3603 57.3562 42.2898 177.1868 4 G 4.3411 7.6130 103.2550 43.2675 0.0000 174.0485 5 I 3.7365 7.2734 122.3971 64.9119 37.3095 177.6934 6 F 4.2340 7.6841 117.7581 60.9257 38.4195 177.4349 7 T 4.1077 8.4430 114.6192 65.5594 68.4170 174.9748 8 D 4.8745 8.2882 119.1823 55.0379 43.1052 177.9083 9 S 4.2552 8.1575 115.1215 61.4715 62.7872 175.8226 10 Y 4.4596 8.0016 122.5996 60.8458 38.5475 177.9372 11 S 4.0269 8.0857 113.6320 61.4362 62.0867 176.0446 12 R 3.9254 8.2802 120.8459 59.5915 29.7812 178.6534 13 Y 3.7852 8.1647 115.9870 60.8953 38.0693 178.2504 14 R 4.0434 8.2773 118.9323 58.9639 29.8810 179.2645 15 K 4.0124 8.0925 118.7545 59.4441 32.0185 179.3449 16 Q 4.0014 7.6528 118.1024 59.0956 28.6170 178.6573 17 M 4.0867 8.2191 119.5468 58.4636 32.2067 178.6205 18 A 4.0529 7.9540 120.5964 55.0822 18.4257 179.9861 19 V 3.7064 7.6159 116.8797 66.1487 31.5954 178.3558 20 K 3.9898 8.2048 118.2635 59.5897 31.9022 179.4375 21 K 3.9667 8.2402 118.6588 59.4521 31.8591 178.8480 22 Y 4.0684 7.6908 118.7782 60.5050 38.8327 177.4459 23 L 3.7637 7.9974 119.7773 57.9262 41.7621 179.4886 24 A 3.9600 8.2893 120.4393 54.9996 18.0150 179.5397 25 A 3.8963 7.5500 118.6632 55.2947 18.6388 179.9796 26 V 3.6265 7.3311 110.6156 64.3405 31.5640 178.7065 27 L 4.1183 7.8643 118.8149 57.7879 41.1917 179.8364 28 G 3.5996 8.0276 104.8564 47.5854 0.0000 175.6368 29 K 4.1797 7.8745 120.4746 59.2618 31.9959 179.3539 30 R 4.2992 7.9357 117.5228 58.5015 30.2546 177.8954 31 Y 4.0200 8.3328 119.9517 60.5002 38.5682 178.4413 32 K 4.0329 7.6601 119.5467 59.4842 32.2952 179.2299 33 Q 3.9439 7.9613 117.5931 59.1596 28.6165 178.9506 34 R 4.0105 7.9220 116.7154 57.9288 30.2508 178.2695 35 V 3.9172 6.9268 116.8581 64.5990 32.1519 177.8271 36 K 4.0183 7.9463 116.9759 59.4739 32.4683 177.8769 37 N 4.5153 7.8607 116.4843 54.6046 39.0230 174.4367 38 K 4.1145 7.8495 125.6973 57.0537 32.6133 175.2605 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 8.44 4.66 0.00 3.12 3.28 0.00 5.72 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 S 7.37 4.38 0.00 3.86 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 D 8.83 4.17 0.00 2.67 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 G 7.61 4.34 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 0.00 5 I 7.27 3.74 1.41 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.74 0.63 0.00 0.00 6 F 7.68 4.23 0.00 3.09 3.07 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 0.00 0.00 0.00 7 T 8.44 4.11 4.31 0.00 0.00 0.00 0.00 0.00 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 8 D 8.29 4.87 0.00 2.75 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.16 4.26 0.00 4.06 4.08 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 0.00 0.00 0.00 0.00 10 Y 8.00 4.46 0.00 3.15 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.09 4.03 0.00 3.91 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 12 R 8.28 3.93 0.00 2.06 1.90 0.00 3.31 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.82 0.00 13 Y 8.16 3.79 0.00 3.15 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.28 4.04 0.00 1.89 1.91 0.00 2.50 0.00 0.00 2.89 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 15 K 8.09 4.01 0.00 1.96 1.82 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.61 7.81 16 Q 7.65 4.00 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 5.56 0.00 0.00 0.00 0.00 0.00 2.26 2.43 0.00 17 M 8.22 4.09 0.00 2.11 2.31 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.64 0.00 18 A 7.95 4.05 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 19 V 7.62 3.71 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.97 0.00 0.00 20 K 8.20 3.99 0.00 1.95 1.88 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.61 1.67 7.81 21 K 8.24 3.97 0.00 2.03 1.89 0.00 1.77 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.56 7.81 22 Y 7.69 4.07 0.00 3.17 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 8.00 3.76 0.00 1.89 1.68 0.95 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.29 3.96 1.35 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 0.00 0.00 0.00 25 A 7.55 3.90 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.33 3.63 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 0.59 0.00 0.00 0.87 0.00 0.00 27 L 7.86 4.12 0.00 1.96 1.71 0.95 0.82 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 28 G 8.03 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.87 4.18 0.00 1.88 1.87 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.59 1.60 7.81 30 R 7.94 4.30 0.00 1.96 1.98 0.00 3.33 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 1.87 1.62 0.00 31 Y 8.33 4.02 0.00 3.17 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.66 4.03 0.00 2.09 1.85 0.00 1.81 0.00 0.00 1.83 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.70 1.67 7.81 33 Q 7.96 3.94 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.92 0.00 0.00 0.00 0.00 0.00 2.44 2.61 0.00 34 R 7.92 4.01 0.00 1.62 1.89 0.00 3.27 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.76 0.00 35 V 6.93 3.92 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 0.96 0.00 0.00 0.35 0.00 0.00 36 K 7.95 4.02 0.00 1.91 1.90 0.00 1.64 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.68 1.41 7.81 37 N 7.86 4.52 0.00 2.81 2.86 0.00 0.00 6.84 6.49 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 38 K 7.85 4.11 0.00 1.64 1.66 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.29 1.35 7.81