NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 28 N 4.7071 8.4244 117.7907 52.5623 39.3016 174.2844 29 S 4.3058 8.2291 107.9244 57.1341 63.5079 173.6414 30 K 4.0488 8.5948 128.7755 59.3308 32.3967 177.5477 31 Q 4.0262 8.0305 119.1937 59.1534 28.9804 178.0504 32 K 4.1181 7.9894 118.9049 58.5664 32.3668 179.4609 33 V 3.6491 7.9667 120.2067 64.8786 31.1751 178.5947 34 Q 3.8589 7.8438 117.2398 59.1456 28.5782 178.0286 35 M 3.6939 7.5867 118.8043 59.0358 32.2274 178.6306 36 S 3.7175 7.7980 114.9214 61.5759 63.0909 176.5877 37 I 3.7771 7.2603 121.6933 64.8752 36.7217 178.1255 38 H 4.2126 8.0406 116.7271 58.9333 28.5972 177.6403 39 Q 3.8086 7.6478 120.8220 59.1814 28.8926 178.1689 40 F 4.2418 8.3212 119.2059 60.9043 38.8901 177.7369 41 T 3.9332 8.1409 115.3045 66.6783 68.1762 176.0642 42 N 4.3018 8.3815 119.0584 56.7613 38.4232 177.0185 43 I 3.7317 7.8539 121.0139 64.8044 37.2019 177.9338 44 C 4.4287 8.7609 117.7582 59.6128 40.4204 175.8311 45 F 4.0839 8.7047 122.8949 61.3104 38.7511 177.1093 46 K 3.8603 7.5425 116.1200 59.7769 31.9995 179.1400 47 K 4.1482 7.6623 116.1224 58.7505 32.0920 177.9200 48 C 4.8488 8.2571 115.3755 56.5514 41.7388 173.9727 49 V 3.8558 7.3154 120.7011 61.1434 29.7577 175.0090 50 E 4.1197 8.3618 125.5106 58.1014 30.2687 177.2929 51 S 4.4024 7.3235 110.7909 57.3562 65.1036 174.7583 52 V 4.2386 8.3231 122.1382 61.6594 31.8201 174.2662 53 N 4.8273 8.8248 124.4281 53.5874 40.8414 174.3499 54 D 5.0375 7.7950 114.7682 51.2135 42.2314 175.6582 55 S 4.4581 8.4529 112.1534 58.9041 63.6968 173.9045 56 N 4.7549 7.4306 119.2171 52.1734 39.4375 174.6481 57 L 4.4630 8.3023 122.6675 54.2102 42.7478 177.8282 58 S 4.4380 10.4003 119.8861 57.8904 65.1626 175.4884 59 S 4.0212 8.4813 119.3008 62.0291 62.6425 176.7867 60 Q 3.9611 8.1393 121.5403 59.4055 28.7207 178.2319 61 E 4.1285 7.8985 117.1790 58.4530 29.5847 178.3740 62 E 3.9688 8.1947 121.2085 59.1229 29.6524 178.2109 63 Q 3.9626 7.9260 119.6926 59.0017 29.0705 176.9147 64 C 4.1625 8.1844 119.6893 59.6957 40.1895 175.3902 65 L 3.9120 7.6900 122.0313 58.1117 41.8066 179.0376 66 S 4.1902 7.8396 113.9678 61.0418 63.3221 175.8941 67 N 4.2406 8.3335 120.4480 56.3164 38.2997 176.0370 68 C 4.1071 8.4133 119.9124 59.9428 44.7692 175.7484 69 V 3.2512 7.3866 119.2843 66.0477 30.9579 177.7109 70 N 4.2373 7.9008 115.4458 56.4396 38.4629 177.2862 71 R 3.8411 8.3976 120.4424 59.4539 30.0642 178.2978 72 F 3.6673 8.4462 120.4641 61.1238 39.5383 177.1198 73 L 4.0836 8.0509 118.6427 57.9019 41.4179 179.0914 74 D 4.3621 8.3465 119.0692 57.7154 40.7202 179.0136 75 T 3.7515 7.7664 115.9110 66.7174 68.3762 175.9641 76 N 4.2579 7.9919 118.2154 56.7094 38.6492 177.4182 77 I 3.6836 7.6340 120.4044 64.3760 37.1961 178.3192 78 R 3.8769 8.0237 119.4658 59.5950 29.8628 178.5935 79 I 3.6961 8.1134 120.0018 64.3260 36.9167 178.8922 80 V 3.6397 7.8535 118.9659 64.7857 31.5965 177.6963 81 N 4.5373 8.6356 117.9585 56.1735 38.0094 177.5496 82 G 3.7446 8.2391 106.7671 47.8848 0.0000 175.4747 83 L 4.1397 7.7724 119.9941 57.8325 41.6601 178.2139 84 Q 4.2013 8.0988 118.3510 56.9206 28.7641 177.5482 85 N 4.3063 7.5004 119.6073 56.4850 39.2066 175.0541 86 T 4.1911 7.3778 119.0370 63.5853 68.8591 174.2548 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 28 N 8.42 4.71 0.00 2.76 2.73 0.00 0.00 6.39 6.76 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 29 S 8.23 4.31 0.00 3.90 3.71 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 30 K 8.59 4.05 0.00 1.83 1.85 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.55 7.81 31 Q 8.03 4.03 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 32 K 7.99 4.12 0.00 1.88 1.82 0.00 1.73 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.43 7.81 33 V 7.97 3.65 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 0.92 0.00 0.00 0.94 0.00 0.00 34 Q 7.84 3.86 0.00 2.20 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.63 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 35 M 7.59 3.69 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.56 0.00 36 S 7.80 3.72 0.00 3.90 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 37 I 7.26 3.78 1.98 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.98 0.95 0.00 0.00 38 H 8.04 4.21 0.00 3.31 3.25 0.00 5.62 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 7.65 3.81 0.00 1.89 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.80 0.00 0.00 0.00 0.00 0.00 1.97 2.22 0.00 40 F 8.32 4.24 0.00 3.04 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 41 T 8.14 3.93 4.43 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 1.20 0.00 0.00 42 N 8.38 4.30 0.00 2.86 2.97 0.00 0.00 7.28 8.65 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 43 I 7.85 3.73 1.80 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.02 0.96 0.00 0.00 44 C 8.76 4.43 0.00 3.07 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 45 F 8.70 4.08 0.00 3.17 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 46 K 7.54 3.86 0.00 2.12 1.91 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.82 7.81 47 K 7.66 4.15 0.00 1.79 1.89 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.65 7.81 48 C 8.26 4.85 0.00 2.97 3.08 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 49 V 7.32 3.86 1.04 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 0.46 0.00 0.00 0.58 0.00 0.00 50 E 8.36 4.12 0.00 2.07 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 0.00 2.23 2.20 0.00 51 S 7.32 4.40 0.00 3.93 3.79 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 52 V 8.32 4.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.99 0.00 0.00 53 N 8.82 4.83 0.00 2.70 2.80 0.00 0.00 6.96 8.06 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 54 D 7.80 5.04 0.00 2.74 2.64 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 55 S 8.45 4.46 0.00 4.02 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 56 N 7.43 4.75 0.00 2.78 2.78 0.00 0.00 6.98 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.30 4.46 0.00 1.65 1.62 0.96 0.95 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 58 S 10.40 4.44 0.00 3.86 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 59 S 8.48 4.02 0.00 3.88 3.97 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 60 Q 8.14 3.96 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.93 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 61 E 7.90 4.13 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.30 0.00 62 E 8.19 3.97 0.00 2.26 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 2.31 2.32 0.00 63 Q 7.93 3.96 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.54 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 64 C 8.18 4.16 0.00 3.14 3.22 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 0.00 65 L 7.69 3.91 0.00 2.07 1.72 0.97 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 66 S 7.84 4.19 0.00 4.06 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 N 8.33 4.24 0.00 2.96 2.93 0.00 0.00 6.62 8.51 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 68 C 8.41 4.11 0.00 3.14 3.33 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 69 V 7.39 3.25 1.95 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 0.53 0.00 0.00 0.96 0.00 0.00 70 N 7.90 4.24 0.00 3.01 2.82 0.00 0.00 6.71 6.99 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 71 R 8.40 3.84 0.00 2.13 1.96 0.00 3.13 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 72 F 8.45 3.67 0.00 3.35 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 73 L 8.05 4.08 0.00 1.86 1.70 0.83 1.02 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 74 D 8.35 4.36 0.00 2.81 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 T 7.77 3.75 4.05 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 1.00 0.00 0.00 76 N 7.99 4.26 0.00 3.01 2.96 0.00 0.00 7.12 6.90 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 77 I 7.63 3.68 1.87 0.00 0.00 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 1.42 0.86 0.91 0.00 0.00 78 R 8.02 3.88 0.00 2.07 2.00 0.00 3.13 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 79 I 8.11 3.70 2.08 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.61 0.91 0.00 0.00 80 V 7.85 3.64 2.09 0.00 0.00 0.00 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 0.94 0.00 0.00 81 N 8.64 4.54 0.00 2.80 2.91 0.00 0.00 6.93 7.39 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 82 G 8.24 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 7.77 4.14 0.00 1.81 1.74 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 84 Q 8.10 4.20 0.00 2.18 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 85 N 7.50 4.31 0.00 2.69 2.89 0.00 0.00 6.75 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 T 7.38 4.19 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 1.21 0.00 0.00