NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6036 8.2227 120.3159 52.6748 40.9849 175.6366 2 V 2.9351 8.2540 118.2304 65.5911 31.0179 176.2542 3 A 3.9434 7.9625 120.8798 55.1538 18.8478 179.1543 4 S 4.0625 8.4809 112.3830 61.5835 63.1661 176.0861 5 D 4.3458 8.8624 123.4843 57.1350 40.6069 178.8671 6 A 3.9643 7.9703 121.0052 54.8802 18.2804 179.3465 7 K 3.7633 8.0197 117.8406 59.8191 32.2403 178.6247 8 A 3.9513 8.5373 120.9732 55.2148 18.2334 179.4477 9 A 3.9072 8.3541 119.1338 55.3104 18.4396 179.7804 10 A 3.9458 8.0370 119.2916 55.2357 18.3649 179.6681 11 E 3.8813 8.4101 117.3300 59.3873 29.5542 179.2530 12 L 3.9090 8.2124 120.6379 58.3651 42.1965 179.2380 13 V 3.6674 7.8299 117.8349 65.7923 31.2316 177.8149 14 A 3.9570 8.1994 120.5146 55.0629 18.1969 179.4388 15 A 3.9384 8.2186 119.4574 55.3569 18.4528 179.5585 16 N 4.2265 8.6452 115.1550 56.4815 38.6463 177.3040 17 A 3.9961 8.4254 122.4987 55.3193 18.3914 179.3614 18 K 3.8348 7.9537 117.7689 59.5398 32.3100 178.6799 19 A 4.0769 8.4153 120.8408 55.2028 18.2797 179.5796 20 A 3.8690 8.6960 119.1180 55.4427 18.5967 179.7219 21 A 4.0689 7.9848 119.2285 55.3881 18.3721 179.7575 22 E 3.9439 8.7132 117.6133 59.4086 29.5245 179.3010 23 L 3.9780 8.1045 120.6495 58.0239 42.0631 179.1100 24 V 3.6246 8.4560 118.4656 65.7621 31.3238 177.9452 25 A 3.9398 8.1292 120.3414 55.1242 18.2995 179.4026 26 A 3.9274 7.9681 119.3254 55.4884 18.3699 179.5912 27 N 4.3274 8.8571 115.0380 56.2419 38.5139 177.5495 28 A 3.9450 8.2545 122.5284 55.2515 18.5469 179.0949 29 K 3.7654 8.2778 118.0241 59.9306 32.1808 178.5644 30 A 4.1324 8.8549 120.8214 55.0766 18.2115 179.6490 31 A 3.8757 8.3057 119.1743 55.3639 18.5886 179.6561 32 A 3.9300 8.1366 119.4179 55.2548 18.3570 179.6886 33 E 3.8458 8.7324 117.1421 59.7093 29.4267 179.4231 34 A 4.0898 7.9294 119.2978 55.0553 18.3850 179.6716 35 V 3.6342 7.8957 116.1239 66.2417 31.7835 177.7305 36 A 4.1340 7.7589 119.1032 55.2024 18.3077 178.0294 37 R 4.1754 8.2718 120.2601 56.6198 30.2908 176.5473 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 D 8.22 4.60 0.00 2.84 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 V 8.25 2.94 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 1.07 0.00 0.00 0.93 0.00 0.00 3 A 7.96 3.94 1.42 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 0.00 0.00 0.00 4 S 8.48 4.06 0.00 4.08 4.13 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 5 D 8.86 4.35 0.00 2.85 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 A 7.97 3.96 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.02 3.76 0.00 2.01 2.03 0.00 1.54 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.44 1.65 7.81 8 A 8.54 3.95 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 9 A 8.35 3.91 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 10 A 8.04 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 11 E 8.41 3.88 0.00 2.24 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 2.44 0.00 12 L 8.21 3.91 0.00 1.86 1.82 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.83 3.67 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 1.01 0.00 0.00 0.98 0.00 0.00 14 A 8.20 3.96 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 15 A 8.22 3.94 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 16 N 8.65 4.23 0.00 2.93 2.88 0.00 0.00 6.93 7.44 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 17 A 8.43 4.00 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 18 K 7.95 3.83 0.00 1.78 1.93 0.00 1.66 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.45 7.81 19 A 8.42 4.08 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.70 3.87 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 21 A 7.98 4.07 1.42 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 0.00 0.00 0.00 22 E 8.71 3.94 0.00 2.19 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 2.45 0.00 23 L 8.10 3.98 0.00 1.81 1.79 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 24 V 8.46 3.62 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 1.00 0.00 0.00 0.96 0.00 0.00 25 A 8.13 3.94 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 26 A 7.97 3.93 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 27 N 8.86 4.33 0.00 2.94 2.88 0.00 0.00 6.92 7.13 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 28 A 8.25 3.94 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 29 K 8.28 3.77 0.00 1.87 1.95 0.00 1.54 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.51 7.81 30 A 8.85 4.13 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 A 8.31 3.88 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 32 A 8.14 3.93 1.41 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 0.00 0.00 0.00 33 E 8.73 3.85 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 2.46 2.47 0.00 34 A 7.93 4.09 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 35 V 7.90 3.63 2.25 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 0.93 0.00 0.00 0.98 0.00 0.00 36 A 7.76 4.13 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 37 R 8.27 4.18 0.00 1.95 1.86 0.00 3.36 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.78 0.00