NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4183 8.3044 120.3344 54.6552 33.7170 174.7727 2 K 3.7863 8.2423 121.1015 56.2630 32.5258 174.7782 3 K 4.7416 9.2321 127.0825 56.1287 35.0551 174.9675 4 Y 4.8493 8.8353 120.0416 56.0315 42.1444 174.7126 5 V 4.9213 8.6174 122.7003 59.7280 34.5523 174.4593 6 C 3.3047 9.0895 125.6689 59.1550 32.0840 173.8258 7 T 4.2934 8.5483 116.2499 62.1114 68.9583 175.7439 8 V 3.9079 7.6075 122.2440 65.1259 31.9533 176.2640 9 C 4.6654 8.0042 109.8905 57.2027 30.7856 174.6767 10 G 3.9308 8.4849 109.5364 45.0675 0.0000 173.2890 11 Y 4.2968 7.8389 121.0768 58.2846 39.9622 174.3446 12 E 4.9107 8.0246 126.1482 54.4116 31.7875 174.3264 13 Y 4.1837 9.3652 129.5962 57.1639 40.4968 173.3644 14 D 4.7399 7.6010 126.1477 51.7370 43.0718 174.5484 15 P 4.2931 0.0000 0.0000 65.4820 31.6253 178.7516 16 A 4.0018 8.0788 120.1554 54.1282 18.4061 177.8376 17 E 4.3665 8.0562 114.1188 55.3315 31.5885 178.1626 18 G 4.1391 8.0349 106.5379 45.7541 0.0000 174.0830 19 D 4.9753 8.7596 111.2215 52.5006 43.0427 174.5308 20 P 4.3053 0.0000 0.0000 65.4606 31.8713 178.0993 21 D 4.6516 8.1803 113.4878 54.4820 39.5147 176.0402 22 N 4.8972 8.2253 116.9062 53.0730 38.9300 174.5865 23 G 3.7771 8.1818 105.3155 46.8115 0.0000 174.6961 24 V 4.2039 7.6828 120.2518 60.1137 32.5207 175.0393 25 K 4.5521 8.2883 126.7182 55.4118 33.4996 174.7770 26 P 4.2797 0.0000 0.0000 64.3479 31.5742 177.1486 27 G 4.0068 8.9908 110.9592 45.3767 0.0000 173.6709 28 T 4.1933 7.3669 117.7199 62.5388 69.2805 175.0765 29 S 4.4424 8.4857 121.0366 57.8996 64.0640 174.9776 30 F 3.4105 8.9037 124.0013 61.2547 39.2597 177.1409 31 D 4.1281 7.3918 119.7639 56.6913 40.6996 176.6220 32 D 4.6170 7.4171 117.4817 53.8655 40.7870 176.6843 33 L 3.7395 6.8089 119.6387 53.5023 42.1596 175.4809 34 P 4.2287 0.0000 0.0000 62.5422 31.8971 177.5073 35 A 3.8907 8.5937 124.5075 55.0914 18.3372 178.2035 36 D 4.6782 7.8933 112.2675 52.9682 40.0840 176.5111 37 W 4.1938 7.9743 130.6190 57.7358 31.2023 175.2991 38 V 4.3060 6.7475 116.0922 58.7830 35.2670 174.9343 39 C 3.7046 8.6278 122.0696 59.4671 31.5432 172.9772 40 P 4.0580 0.0000 0.0000 64.2094 31.6397 177.2565 41 V 3.8569 7.2393 118.3907 64.2735 31.9482 175.8848 42 C 4.6136 8.0665 110.5298 57.2694 30.9476 174.6460 43 G 3.8038 8.3100 108.9342 44.9469 0.0000 173.8060 44 A 4.2288 7.5959 122.7632 51.0434 19.3046 175.4490 45 P 4.8902 0.0000 0.0000 62.1595 32.5574 177.8503 46 K 4.1872 8.6831 118.5618 59.3631 32.1174 179.4221 47 S 4.4531 8.2901 111.9817 60.1846 63.1892 174.4382 48 E 4.7321 8.7653 121.0229 56.2674 29.6225 174.9922 49 F 5.3987 8.5772 117.8528 56.2337 40.9343 175.1090 50 E 4.9928 9.0422 118.4936 54.0594 33.2424 174.8775 51 A 3.1347 8.5018 122.5923 51.7464 19.1911 177.4220 52 A 4.1939 8.0546 123.1096 51.9413 18.9365 176.0026 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 M 8.30 4.42 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 2 K 8.24 3.79 0.00 1.86 1.92 0.00 1.93 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.25 1.44 7.81 3 K 9.23 4.74 0.00 1.68 1.65 0.00 1.59 0.00 0.00 1.76 0.00 0.00 2.77 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.46 1.55 7.81 4 Y 8.84 4.85 0.00 2.50 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.62 4.92 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 0.69 0.00 0.00 0.95 0.00 0.00 6 C 9.09 3.30 0.00 2.10 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 7 T 8.55 4.29 4.22 0.00 0.00 0.00 0.00 0.00 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 8 V 7.61 3.91 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 0.84 0.00 0.00 0.94 0.00 0.00 9 C 8.00 4.67 0.00 3.07 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 10 G 8.48 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 11 Y 7.84 4.30 0.00 3.07 2.87 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 0.00 0.00 0.00 12 E 8.02 4.91 0.00 1.86 1.60 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 2.13 2.21 0.00 13 Y 9.37 4.18 0.00 3.64 3.14 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 14 D 7.60 4.74 0.00 2.61 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 0.00 0.00 0.00 0.00 15 P 0.00 4.29 0.00 2.24 2.32 0.00 3.61 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.35 0.00 16 A 8.08 4.00 1.31 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 0.00 0.00 0.00 17 E 8.06 4.37 0.00 2.00 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 2.24 2.18 0.00 18 G 8.03 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 0.00 0.00 0.00 19 D 8.76 4.98 0.00 3.22 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.31 0.00 2.27 2.14 0.00 3.74 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.14 0.00 21 D 8.18 4.65 0.00 2.81 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 22 N 8.23 4.90 0.00 3.12 2.99 0.00 0.00 6.93 7.81 0.00 0.00 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 G 8.18 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.68 4.20 2.43 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 1.14 0.00 0.00 0.90 0.00 0.00 25 K 8.29 4.55 0.00 2.00 1.95 0.00 1.57 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.50 1.47 7.81 26 P 0.00 4.28 0.00 2.07 2.22 0.00 3.66 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.25 0.00 27 G 8.99 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 0.00 0.00 0.00 0.00 28 T 7.37 4.19 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 1.11 0.00 0.00 29 S 8.49 4.44 0.00 4.04 4.02 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 30 F 8.90 3.41 0.00 2.89 2.60 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 31 D 7.39 4.13 0.00 2.72 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.42 4.62 0.00 2.57 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 L 6.81 3.74 0.00 0.78 0.73 -1.40 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.23 0.00 2.20 1.96 0.00 3.39 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.04 0.00 35 A 8.59 3.89 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 7.89 4.68 0.00 2.77 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 37 W 7.97 4.19 0.00 3.12 2.97 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 0.00 0.00 0.00 38 V 6.75 4.31 2.17 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 0.74 0.00 0.00 0.64 0.00 0.00 39 C 8.63 3.70 0.00 3.32 2.91 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 40 P 0.00 4.06 0.00 2.02 1.94 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 2.09 0.00 41 V 7.24 3.86 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 0.86 0.00 0.00 0.88 0.00 0.00 42 C 8.07 4.61 0.00 3.04 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.31 3.80 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 44 A 7.60 4.23 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 45 P 0.00 4.89 0.00 2.33 2.25 0.00 3.91 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.05 0.00 46 K 8.68 4.19 0.00 1.82 1.79 0.00 0.91 0.00 0.00 1.51 0.00 0.00 2.73 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.68 7.81 47 S 8.29 4.45 0.00 4.06 4.07 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 48 E 8.77 4.73 0.00 2.30 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 2.30 2.34 0.00 49 F 8.58 5.40 0.00 3.29 3.12 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 0.00 0.00 0.00 0.00 50 E 9.04 4.99 0.00 1.98 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 0.00 2.15 2.17 0.00 51 A 8.50 3.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.05 4.19 1.10 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 0.00 0.00