NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.3804 8.0433 121.1331 55.7542 42.7593 174.2233 2 K 4.9550 9.0505 118.4191 54.9371 33.9896 174.1817 3 C 5.1504 10.0941 123.0782 55.0216 44.8348 173.2375 4 N 5.0957 9.2621 120.4832 53.5165 39.0902 175.1206 5 K 4.2052 8.2885 121.8549 54.6777 34.1218 176.2693 6 L 3.7320 8.7196 121.6055 58.7285 42.2213 177.0247 7 I 4.1504 7.5045 122.2272 59.6997 37.1826 174.6666 8 P 4.9153 0.0000 0.0000 63.2031 30.8296 176.9721 9 I 4.1898 7.5260 110.5309 61.7581 38.3512 174.9746 10 A 4.9373 7.5724 122.8764 50.6184 22.5498 174.4376 11 Y 5.3138 7.7368 116.5581 55.5291 41.4490 173.8147 12 K 4.7047 9.7465 120.2619 55.4712 36.2951 174.4445 13 T 5.0334 8.4161 114.6727 60.7412 69.4419 173.8812 14 C 5.0317 8.6368 124.9978 54.4094 36.2022 172.2498 15 P 4.4904 0.0000 0.0000 62.4568 31.5341 175.5009 16 E 4.1319 8.3807 118.6644 57.8675 29.7307 177.9242 17 G 3.9687 9.0800 110.0074 45.4647 0.0000 173.0497 18 K 4.8023 7.5616 119.1802 54.2845 31.7924 175.1953 19 N 4.9151 8.3668 117.4175 52.4512 38.7548 174.7585 20 L 5.0084 7.9330 119.5031 53.3087 46.0858 174.6873 21 C 5.6655 8.9455 118.1142 55.8944 39.9224 172.5174 22 Y 5.3567 8.0105 116.6623 56.5483 41.5399 173.2222 23 K 4.6404 9.1822 119.1724 54.8700 36.3656 175.4625 24 M 4.7122 8.8193 121.4960 54.4985 35.1204 173.7501 25 M 5.0166 9.0841 126.0853 53.4291 35.9635 174.7742 26 L 4.9443 8.3728 121.4657 53.3170 42.9503 177.7563 27 A 3.9024 9.1032 126.7783 54.1570 18.8217 176.0445 28 S 4.0905 7.7789 112.1828 56.0425 63.1339 172.5359 29 K 4.2176 9.0773 125.7245 54.6759 28.7112 177.0014 30 K 4.4109 9.0014 117.5190 56.7070 36.1479 177.2037 31 M 3.8862 7.7978 124.5845 56.0590 28.3542 175.2519 32 V 4.1262 8.0627 120.3493 60.1025 33.4443 174.9485 33 P 4.9318 0.0000 0.0000 62.9909 32.0003 176.3681 34 V 4.5163 9.2137 113.6930 60.5589 34.2270 175.3051 35 K 4.5129 7.7958 119.5701 55.9863 35.4047 174.2495 36 R 4.5376 8.0355 124.3734 54.5298 34.8199 175.5166 37 G 3.8684 6.5565 108.0296 46.4834 0.0000 170.7403 38 C 5.2249 8.8931 117.4495 55.5075 36.8181 172.6068 39 I 4.8002 8.7682 123.1513 59.4913 41.2722 175.2006 40 N 4.7957 8.6296 118.1944 52.9276 38.4504 175.8296 41 V 4.3650 7.2203 109.9327 58.6701 35.0084 175.6631 42 C 4.3304 8.6545 123.9408 55.6261 43.7531 171.6044 43 P 4.2105 0.0000 0.0000 61.9686 31.4715 176.5073 44 K 4.2287 8.0587 121.3384 56.1690 32.7929 176.7158 45 N 4.8952 8.6072 120.1524 53.1721 38.2550 175.1093 46 S 4.6215 8.5655 116.9402 56.4560 64.1225 174.8013 47 A 4.2506 8.5204 125.1156 54.3225 18.3744 178.2068 48 L 4.6727 7.9185 113.2381 54.2987 45.3176 176.4951 49 V 4.6178 7.3907 109.8118 59.4629 33.4911 174.7670 50 K 4.8462 8.6367 125.9666 55.3674 33.8074 175.7068 51 Y 5.7260 9.3305 121.7651 55.3955 41.1339 175.9742 52 V 4.4629 8.4633 121.9485 60.8111 34.3760 174.4008 53 C 5.7034 8.9792 123.0289 55.4920 41.6250 172.1285 54 C 4.9939 8.9727 115.0482 54.3078 45.1152 174.3650 55 S 4.8141 8.6253 115.0272 58.4745 63.2476 173.8942 56 T 4.5040 7.2163 117.2454 61.8347 70.8188 172.7800 57 D 4.5039 8.2646 125.4594 54.6788 39.3828 176.6574 58 R 3.8776 9.3600 126.4815 57.2813 27.9866 175.9128 59 C 4.4410 8.1627 114.9388 57.5918 42.4529 173.1960 60 N 4.4870 8.0307 121.5190 52.9298 37.0215 174.6045 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 L 8.04 4.38 0.00 1.90 1.92 0.92 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 2 K 9.05 4.96 0.00 1.83 1.63 0.00 1.56 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.82 7.81 3 C 10.09 5.15 0.00 2.81 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.26 5.10 0.00 2.86 2.75 0.00 0.00 6.94 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 5 K 8.29 4.21 0.00 1.64 1.75 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.37 7.81 6 L 8.72 3.73 0.00 1.56 1.69 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.50 4.15 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.04 0.91 0.00 0.00 8 P 0.00 4.92 0.00 2.19 2.13 0.00 3.75 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 9 I 7.53 4.19 1.89 0.00 0.00 0.86 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 0.64 0.92 0.00 0.00 10 A 7.57 4.94 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.74 5.31 0.00 2.98 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 12 K 9.75 4.70 0.00 1.75 1.93 0.00 1.31 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.38 7.81 13 T 8.42 5.03 4.31 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 1.25 0.00 0.00 14 C 8.64 5.03 0.00 3.00 3.04 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 0.00 15 P 0.00 4.49 0.00 2.23 2.21 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 2.10 2.02 0.00 16 E 8.38 4.13 0.00 1.99 1.93 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 2.32 2.32 0.00 17 G 9.08 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 0.00 0.00 0.00 18 K 7.56 4.80 0.00 1.92 1.78 0.00 1.59 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.55 7.81 19 N 8.37 4.92 0.00 2.72 2.92 0.00 0.00 6.11 7.79 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 20 L 7.93 5.01 0.00 1.78 1.63 0.94 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 21 C 8.95 5.67 0.00 3.08 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 22 Y 8.01 5.36 0.00 3.21 3.09 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 23 K 9.18 4.64 0.00 1.87 1.73 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.81 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 1.32 7.81 24 M 8.82 4.71 0.00 2.37 2.06 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.45 0.00 25 M 9.08 5.02 0.00 1.85 1.84 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 26 L 8.37 4.94 0.00 1.59 1.56 0.91 0.69 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 27 A 9.10 3.90 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.78 4.09 0.00 3.82 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 29 K 9.08 4.22 0.00 1.80 1.95 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.24 1.28 7.81 30 K 9.00 4.41 0.00 1.83 1.64 0.00 1.62 0.00 0.00 1.81 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.50 7.81 31 M 7.80 3.89 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.58 0.00 32 V 8.06 4.13 2.07 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 0.74 0.00 0.00 0.92 0.00 0.00 33 P 0.00 4.93 0.00 2.06 2.07 0.00 3.43 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.10 0.00 34 V 9.21 4.52 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 0.71 0.00 0.00 0.95 0.00 0.00 35 K 7.80 4.51 0.00 1.88 1.82 0.00 2.04 0.00 0.00 1.99 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.50 7.81 36 R 8.04 4.54 0.00 1.75 1.80 0.00 3.33 0.00 0.00 3.05 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.55 0.00 37 G 6.56 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 0.00 0.00 0.00 38 C 8.89 5.22 0.00 3.04 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 39 I 8.77 4.80 2.07 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.41 0.96 0.00 0.00 40 N 8.63 4.80 0.00 2.87 3.01 0.00 0.00 6.18 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 41 V 7.22 4.36 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 0.70 0.00 0.00 0.83 0.00 0.00 42 C 8.65 4.33 0.00 2.93 2.99 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 0.00 0.00 0.00 0.00 43 P 0.00 4.21 0.00 0.49 1.15 0.00 3.48 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.54 0.00 44 K 8.06 4.23 0.00 1.68 1.74 0.00 1.60 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.42 1.51 7.81 45 N 8.61 4.90 0.00 2.77 2.80 0.00 0.00 6.86 7.57 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 46 S 8.57 4.62 0.00 3.94 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 47 A 8.52 4.25 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 48 L 7.92 4.67 0.00 1.60 1.65 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.39 4.62 1.96 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 0.79 0.00 0.00 0.99 0.00 0.00 50 K 8.64 4.85 0.00 1.58 1.67 0.00 1.61 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.52 7.81 51 Y 9.33 5.73 0.00 3.12 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 52 V 8.46 4.46 2.13 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 0.80 0.00 0.00 0.97 0.00 0.00 53 C 8.98 5.70 0.00 2.92 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 54 C 8.97 4.99 0.00 2.98 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 55 S 8.63 4.81 0.00 3.86 3.89 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 56 T 7.22 4.50 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 1.19 0.00 0.00 57 D 8.26 4.50 0.00 2.62 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.36 3.88 0.00 1.65 1.93 0.00 2.21 0.00 0.00 2.70 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.32 0.00 59 C 8.16 4.44 0.00 3.09 3.24 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 60 N 8.03 4.49 0.00 2.83 2.81 0.00 0.00 5.87 7.56 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