NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 K 4.1975 8.3101 121.7892 54.8674 34.1276 175.6755 20 A 5.1897 7.3352 132.2422 51.9890 19.3884 172.3488 21 K 4.2775 7.7054 119.9055 55.8376 33.8535 176.9520 22 V 3.5931 8.1424 124.5692 64.8690 31.8193 177.8535 23 K 4.0812 7.7846 119.0009 59.5670 32.2745 177.5813 24 A 4.2263 8.0891 120.9157 55.1640 18.2442 179.4865 25 T 3.8976 7.3942 111.7039 65.8826 68.8203 172.9967 26 L 5.0869 7.8645 119.6481 52.9427 46.1687 177.0950 27 G 4.2439 8.3076 108.1170 46.5491 0.0000 177.0243 28 E 4.2046 8.7607 118.7243 54.6969 27.7961 173.7481 29 F 4.8262 7.5054 115.7756 54.3072 40.0952 176.2666 30 D 4.4529 8.6763 124.8076 54.2844 39.8185 175.8990 31 L 4.8776 8.0862 130.6598 56.3585 40.7530 177.6699 32 R 4.5838 8.5896 116.2219 56.7982 31.1589 173.3154 33 D 4.8123 8.1780 115.9407 52.3735 42.5492 175.5788 34 Y 4.8098 7.7600 126.9819 56.8630 38.7890 176.4171 35 R 4.5908 7.7430 117.3005 58.2922 35.9877 176.8496 36 N 4.7154 8.2136 116.8892 54.5214 36.3213 177.3635 37 V 3.4964 7.4978 115.1037 65.5102 32.5197 178.6792 38 E 4.1515 8.4442 117.8212 60.5342 29.4505 178.9852 39 V 3.3639 8.2257 117.8304 64.8732 30.9438 177.6455 40 L 4.3588 7.9296 117.1944 58.3885 41.8458 179.5798 41 K 3.6825 8.9732 119.6726 59.6710 32.1926 177.7177 42 R 3.9653 8.6433 117.8646 57.0813 30.9507 176.1567 43 F 4.9628 9.0994 118.0391 56.9660 38.6336 175.8941 44 L 5.5512 7.5994 115.0215 54.5965 44.0145 177.8157 45 S 3.7522 8.2515 115.5163 59.8625 63.2434 172.5993 46 E 4.7888 8.6667 116.3749 56.3390 31.2161 175.7355 47 T 5.2356 8.0223 114.0258 61.5086 70.4928 175.7336 48 G 4.0838 8.0880 109.0041 44.8870 0.0000 174.4604 49 K 3.8720 8.0163 119.1349 56.7921 32.5173 176.6458 50 I 4.2537 8.1568 123.1851 61.2949 37.8477 175.1040 51 L 4.7751 8.0547 121.7131 52.1615 43.7545 175.2363 52 P 4.5549 0.0000 0.0000 62.3214 32.3521 177.5707 53 R 4.4645 8.4392 117.4585 58.9769 30.0749 179.0625 54 R 4.1380 8.0415 114.6801 58.1025 30.3762 176.6606 55 R 4.6084 7.8512 115.1222 57.9882 34.8522 177.2582 56 T 3.8954 8.5172 108.5655 63.4143 68.6789 175.7869 57 G 3.9413 8.6191 107.9149 45.8989 0.0000 173.3959 58 L 4.5071 7.7005 119.5130 53.5504 43.1103 176.5899 59 S 4.5342 8.8708 113.3848 57.4889 64.5306 173.7184 60 A 4.0247 8.6365 127.4316 55.6232 17.8473 179.8052 61 K 3.8023 8.0816 116.1691 60.3321 32.1516 178.0967 62 E 4.0179 8.2190 118.2906 58.7724 29.5592 178.7928 63 Q 3.8302 9.1319 120.0295 60.0825 29.4560 179.0308 64 R 4.1357 9.0950 120.4526 56.7247 29.8276 178.8025 65 I 3.5921 7.2776 116.8829 64.5840 38.1980 177.2732 66 L 3.9723 8.7876 124.4060 56.4906 41.9667 178.3588 67 A 3.9300 8.2287 120.4010 56.2121 18.3597 178.8835 68 K 4.0506 8.3940 117.4052 57.9239 31.7308 179.4006 69 T 3.8977 8.1558 109.8997 66.0200 68.9690 175.4921 70 I 3.6859 8.5429 122.5651 63.5492 36.7865 178.0879 71 K 3.7123 8.0888 120.6793 60.1715 32.4692 178.7249 72 R 3.8831 8.1657 117.5418 59.6046 29.9179 178.5320 73 A 4.0926 8.3401 119.6805 55.7026 18.6652 179.4847 74 R 3.9775 8.4296 117.3180 60.2129 29.8242 178.4841 75 I 4.1284 7.8111 118.4169 64.0916 37.2517 177.7065 76 L 4.3057 8.5051 118.1578 54.9209 41.6595 176.9227 77 G 3.8487 8.0508 106.5511 47.1802 0.0000 174.3050 78 L 4.7630 8.1270 116.8137 53.9405 43.4576 176.8695 79 L 4.7329 7.6833 118.0794 52.1012 45.5550 174.0522 80 P 4.3988 0.0000 0.0000 63.1727 31.6600 176.5593 81 F 4.3103 9.2307 122.5471 60.8789 39.2605 175.3604 82 T 4.7682 7.5723 113.2057 63.2529 72.5730 173.0261 83 E 4.6969 8.4082 118.9034 55.2913 33.0594 175.3808 84 K 4.4034 8.8200 123.7322 56.1544 33.1007 176.4221 85 L 4.1583 8.3931 124.0792 54.6248 42.8555 176.2182 86 V 4.1305 8.2167 124.5868 61.7004 32.8552 173.4756 87 R 3.4154 8.5788 127.4320 56.7025 30.0674 175.4554 88 K 4.1496 8.5665 123.4996 56.5540 32.2196 175.7500 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 19 K 8.31 4.20 0.00 1.71 1.91 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.50 7.81 20 A 7.34 5.19 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 21 K 7.71 4.28 0.00 1.82 1.81 0.00 1.74 0.00 0.00 1.87 0.00 0.00 3.11 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.39 7.81 22 V 8.14 3.59 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 0.44 0.00 0.00 0.83 0.00 0.00 23 K 7.78 4.08 0.00 2.03 1.93 0.00 1.84 0.00 0.00 1.78 0.00 0.00 3.10 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.53 7.81 24 A 8.09 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 25 T 7.39 3.90 4.32 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 1.14 0.00 0.00 26 L 7.86 5.09 0.00 1.95 1.65 0.54 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.31 4.24 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 0.00 28 E 8.76 4.20 0.00 1.98 1.90 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 2.28 2.29 0.00 29 F 7.51 4.83 0.00 3.12 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 30 D 8.68 4.45 0.00 2.79 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.09 4.88 0.00 1.99 2.31 0.92 0.46 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 32 R 8.59 4.58 0.00 1.68 2.10 0.00 3.29 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 33 D 8.18 4.81 0.00 2.78 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.76 4.81 0.00 3.13 3.05 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 35 R 7.74 4.59 0.00 1.70 1.84 0.00 3.08 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.94 0.00 36 N 8.21 4.72 0.00 2.86 3.00 0.00 0.00 6.28 7.68 0.00 0.00 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 V 7.50 3.50 2.10 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 0.89 0.00 0.00 0.93 0.00 0.00 38 E 8.44 4.15 0.00 1.90 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 2.31 2.40 0.00 39 V 8.23 3.36 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 0.56 0.00 0.00 0.87 0.00 0.00 40 L 7.93 4.36 0.00 1.88 1.79 1.02 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.97 3.68 0.00 1.63 2.16 0.00 1.71 0.00 0.00 1.65 0.00 0.00 3.15 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.53 7.81 42 R 8.64 3.97 0.00 1.72 1.39 0.00 2.97 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.45 0.00 43 F 9.10 4.96 0.00 2.79 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 44 L 7.60 5.55 0.00 1.72 1.61 1.06 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.25 3.75 0.00 4.08 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.67 4.79 0.00 1.91 1.91 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 2.20 2.25 0.00 47 T 8.02 5.24 4.25 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 0.00 0.00 0.00 1.25 0.00 0.00 48 G 8.09 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 0.00 0.00 0.00 49 K 8.02 3.87 0.00 1.81 1.77 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.44 7.81 50 I 8.16 4.25 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.69 0.89 0.00 0.00 51 L 8.05 4.78 0.00 1.75 1.63 0.99 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.55 0.00 2.23 2.19 0.00 3.73 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 53 R 8.44 4.46 0.00 1.91 2.05 0.00 3.43 0.00 0.00 3.30 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.63 0.00 54 R 8.04 4.14 0.00 1.81 2.01 0.00 3.17 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 55 R 7.85 4.61 0.00 1.81 1.89 0.00 3.31 0.00 0.00 3.40 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 56 T 8.52 3.90 4.40 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 1.45 0.00 0.00 57 G 8.62 3.94 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 0.00 0.00 0.00 58 L 7.70 4.51 0.00 1.66 1.74 1.14 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.87 4.53 0.00 3.89 3.87 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 60 A 8.64 4.02 1.32 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 0.00 0.00 61 K 8.08 3.80 0.00 1.81 1.85 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.57 7.81 62 E 8.22 4.02 0.00 2.29 1.90 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 2.36 2.34 0.00 63 Q 9.13 3.83 0.00 2.22 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 64 R 9.10 4.14 0.00 2.02 1.75 0.00 3.20 0.00 0.00 3.21 8.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 65 I 7.28 3.59 1.86 0.00 0.00 0.84 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 0.76 0.90 0.00 0.00 66 L 8.79 3.97 0.00 1.62 1.67 0.55 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.23 3.93 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 68 K 8.39 4.05 0.00 2.03 1.72 0.00 1.56 0.00 0.00 1.80 0.00 0.00 3.12 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.46 7.81 69 T 8.16 3.90 4.32 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 1.37 0.00 0.00 70 I 8.54 3.69 2.01 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.69 0.87 0.00 0.00 71 K 8.09 3.71 0.00 1.81 1.81 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.60 7.81 72 R 8.17 3.88 0.00 2.03 1.74 0.00 3.05 0.00 0.00 2.75 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 73 A 8.34 4.09 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.43 3.98 0.00 1.98 1.92 0.00 2.86 0.00 0.00 2.49 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.83 0.00 75 I 7.81 4.13 2.15 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 1.75 0.88 0.95 0.00 0.00 76 L 8.51 4.31 0.00 1.83 1.79 0.98 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.05 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.13 4.76 0.00 1.68 1.72 1.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.68 4.73 0.00 1.63 1.56 0.96 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.40 0.00 2.09 2.08 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 81 F 9.23 4.31 0.00 2.89 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 82 T 7.57 4.77 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 1.25 0.00 0.00 83 E 8.41 4.70 0.00 2.05 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 2.20 2.28 0.00 84 K 8.82 4.40 0.00 1.67 1.80 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.69 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.39 7.81 85 L 8.39 4.16 0.00 1.59 1.56 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.22 4.13 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 0.85 0.00 0.00 0.93 0.00 0.00 87 R 8.58 3.42 0.00 1.91 1.84 0.00 3.27 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 88 K 8.57 4.15 0.00 1.75 1.66 0.00 1.86 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.41 7.81