NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.3629 8.1127 119.6567 56.1650 32.2437 173.6710 5 E 4.8016 8.4445 120.8513 53.3044 32.3430 173.6593 6 C 4.3200 9.5101 126.8497 59.3866 32.8912 173.6334 7 D 4.4432 8.3777 124.8760 55.0195 39.1864 175.7473 8 Y 4.5131 7.2596 118.1911 58.8535 41.4259 176.2756 9 C 3.9873 8.2197 114.1608 59.4699 30.7065 175.6282 10 G 3.9984 8.4024 106.8272 44.7095 0.0000 173.1514 11 T 4.3456 7.5868 110.0735 61.0351 70.9409 173.3355 12 D 4.9709 8.4719 122.3404 53.9958 41.5896 176.4317 13 I 3.9954 8.2994 125.7734 60.5225 37.9603 175.8726 14 E 3.9190 8.9895 129.0825 55.3460 29.8603 174.2272 15 P 4.1221 0.0000 0.0000 64.7750 31.4408 176.2768 16 G 3.9260 9.9024 110.2450 45.8659 0.0000 172.5497 17 T 4.5775 7.3228 112.9741 62.2404 72.7090 174.5327 18 G 4.1662 9.0622 107.5020 45.9062 0.0000 172.6635 19 T 4.7994 8.2750 114.1890 61.6874 72.7637 173.2226 20 M 4.9603 8.7088 123.9204 53.8735 34.2213 174.5017 21 F 4.8747 9.4040 130.0281 57.4464 41.2990 174.2805 22 V 4.4319 7.5823 125.5043 61.3552 33.2174 175.2876 23 H 4.1864 9.0012 125.7728 54.4289 29.9135 176.4613 24 K 4.0122 8.6437 121.4518 59.7748 31.9858 177.7832 25 D 4.3981 7.9548 116.6123 55.3976 39.5246 175.7016 26 G 3.3703 7.4190 106.9217 44.8037 0.0000 173.9170 27 A 4.0804 8.5546 124.2192 52.7984 19.4996 176.5078 28 T 4.9490 8.4242 117.6007 62.0427 71.1871 174.0336 29 T 4.6307 8.9440 122.5507 62.0657 71.8475 172.9759 30 H 4.9546 9.4473 124.8697 55.3089 30.4226 174.8118 31 F 5.2411 9.2142 120.3739 56.0253 42.2862 176.0101 32 C 4.3084 9.2489 117.2065 60.4906 30.1971 173.6625 33 S 4.6524 7.6488 113.7733 56.0845 66.8095 174.7167 34 S 4.2524 8.4983 116.0237 61.0022 62.7964 176.0709 35 K 3.7690 7.9771 123.0160 59.6578 31.8459 178.3881 36 C 4.1982 7.7006 116.4102 62.8038 28.1287 175.6636 37 E 2.6469 7.1787 118.7353 59.3552 29.1081 179.4451 38 N 4.2607 8.0695 116.2111 56.1157 38.3138 177.3201 39 N 4.5557 7.8621 117.4546 55.9311 38.6267 177.3529 40 A 4.1514 7.7689 122.5344 55.1077 18.2862 179.2934 41 D 4.3872 7.8126 116.1566 56.5190 40.9442 177.8367 42 L 4.4199 7.3427 116.5523 54.2476 41.9450 177.5179 43 G 3.9809 7.8416 107.2933 45.6232 0.0000 174.0938 44 R 4.2342 7.6216 118.7077 55.6566 30.9785 175.7643 45 E 4.5185 8.5588 121.2093 54.3882 31.3204 176.8870 46 A 3.4879 8.1414 126.2607 55.2060 18.4900 179.8752 47 R 3.9220 7.7049 113.7384 59.3457 30.2590 177.8554 48 N 4.4346 7.8939 114.2687 54.9779 39.0020 175.1753 49 L 4.4434 7.2144 118.1377 53.2115 42.5116 177.7091 50 E 4.1057 8.7834 123.7181 58.6885 29.6910 178.2454 51 W 4.4425 7.9161 114.6233 58.5447 29.0648 176.8693 52 T 3.7697 6.6510 115.8949 63.1013 68.2321 175.4079 53 D 4.4488 8.5029 125.0769 57.3932 41.3307 178.1971 54 T 3.8767 7.4323 115.5056 66.5462 68.5863 175.8526 55 A 3.9911 7.8233 122.8664 54.9218 18.7210 177.3098 56 R 4.1430 7.6710 115.4301 56.3611 29.7494 176.2131 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 4 R 8.11 4.36 0.00 1.77 1.88 0.00 2.94 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 5 E 8.44 4.80 0.00 1.96 1.77 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 2.18 2.40 0.00 6 C 9.51 4.32 0.00 3.09 2.95 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 0.00 0.00 0.00 7 D 8.38 4.44 0.00 2.63 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 7.26 4.51 0.00 2.92 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 9 C 8.22 3.99 0.00 3.12 3.32 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.40 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.59 4.35 4.30 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 1.32 0.00 0.00 12 D 8.47 4.97 0.00 2.61 2.67 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 0.00 0.00 0.00 0.00 13 I 8.30 4.00 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.51 0.97 0.00 0.00 14 E 8.99 3.92 0.00 2.07 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 15 P 0.00 4.12 0.00 2.23 2.08 0.00 3.84 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 16 G 9.90 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 17 T 7.32 4.58 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 1.24 0.00 0.00 18 G 9.06 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.28 4.80 4.35 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 1.29 0.00 0.00 20 M 8.71 4.96 0.00 1.97 1.86 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.35 0.00 21 F 9.40 4.87 0.00 3.35 3.19 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 0.00 0.00 0.00 0.00 22 V 7.58 4.43 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.85 0.00 0.00 23 H 9.00 4.19 0.00 3.25 3.19 0.00 5.68 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.64 4.01 0.00 1.73 1.86 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.44 7.81 25 D 7.95 4.40 0.00 2.81 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.42 3.37 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 0.00 27 A 8.55 4.08 1.14 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 0.00 0.00 28 T 8.42 4.95 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 29 T 8.94 4.63 4.39 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 0.78 0.00 0.00 30 H 9.45 4.95 0.00 3.08 3.23 0.00 5.75 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 9.21 5.24 0.00 3.18 2.98 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 0.00 0.00 0.00 32 C 9.25 4.31 0.00 3.17 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.65 4.65 0.00 4.03 4.03 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 0.00 0.00 0.00 34 S 8.50 4.25 0.00 3.97 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 35 K 7.98 3.77 0.00 1.75 1.84 0.00 1.40 0.00 0.00 1.39 0.00 0.00 2.13 0.00 0.00 2.43 0.00 0.00 0.00 0.00 1.33 1.32 7.81 36 C 7.70 4.20 0.00 3.41 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 37 E 7.18 2.65 0.00 1.79 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 1.47 2.03 0.00 38 N 8.07 4.26 0.00 2.61 2.77 0.00 0.00 7.10 7.23 0.00 0.00 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 N 7.86 4.56 0.00 3.12 3.15 0.00 0.00 6.81 8.55 0.00 0.00 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 A 7.77 4.15 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.81 4.39 0.00 2.68 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.34 4.42 0.00 1.90 1.73 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 43 G 7.84 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.62 4.23 0.00 2.19 2.00 0.00 3.26 0.00 0.00 3.38 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 45 E 8.56 4.52 0.00 1.97 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 46 A 8.14 3.49 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.70 3.92 0.00 1.73 1.92 0.00 3.14 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 48 N 7.89 4.43 0.00 2.77 2.86 0.00 0.00 7.03 7.97 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 49 L 7.21 4.44 0.00 1.23 1.20 1.17 0.94 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 50 E 8.78 4.11 0.00 2.04 2.06 0.00 0.00 0.00 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 2.32 0.00 51 W 7.92 4.44 0.00 3.55 3.21 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 0.00 0.00 0.00 0.00 52 T 6.65 3.77 4.01 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 0.95 0.00 0.00 53 D 8.50 4.45 0.00 2.82 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 54 T 7.43 3.88 4.04 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 1.09 0.00 0.00 55 A 7.82 3.99 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 R 7.67 4.14 0.00 1.95 1.91 0.00 3.13 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.55 0.00