NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3454 8.2644 123.5834 52.2182 19.0892 174.8152 3 R 4.2355 7.9493 118.4500 56.7946 32.0232 175.6825 4 K 4.1582 8.4660 118.3051 58.1983 33.4702 177.1346 5 A 4.3847 7.8218 120.0185 54.5739 19.4444 179.0629 6 L 4.1610 7.8830 117.4056 57.4960 41.5671 178.6523 7 I 4.1177 7.5412 110.4100 61.8823 38.1122 177.1564 8 E 4.2403 7.7231 120.7271 58.9556 29.8763 177.8274 9 K 3.4313 8.4452 118.2098 59.6912 32.1719 178.1885 10 A 3.8520 7.7898 119.8337 54.4594 18.2526 179.3759 11 K 4.0537 8.4991 118.1581 58.2555 32.3932 177.6424 12 R 3.8685 7.4955 117.3381 57.1970 30.3319 177.1653 13 T 4.3968 8.3285 120.5144 60.7113 68.5085 171.1699 14 P 4.9962 0.0000 0.0000 61.5518 34.3828 173.8036 15 K 3.0884 8.2740 118.0755 57.1292 31.2068 175.0165 16 F 4.0310 6.7084 117.4503 56.3669 37.4226 176.9333 17 K 3.8985 9.1264 126.9811 59.8897 32.3335 179.0831 18 V 3.7957 8.1153 112.0182 64.6187 31.6709 177.6523 19 R 4.0701 8.4659 118.1240 58.7672 30.1082 177.5470 20 A 4.0457 7.4665 119.2819 52.7223 18.6843 176.1703 21 Y 4.9903 7.7794 119.8914 54.5840 41.3128 175.3509 22 T 4.0175 8.5115 111.4142 61.8717 69.4404 173.8533 23 R 4.6170 8.1565 124.1821 54.5449 33.1792 174.1512 24 C 4.3509 8.6934 125.5371 59.7850 32.2851 173.1028 25 V 4.1129 7.7446 121.4371 64.6857 32.2480 177.8390 26 R 4.0811 8.1955 117.7216 58.7021 29.4220 176.1814 27 C 4.9282 7.7072 111.1949 55.6282 32.3280 174.8216 28 G 3.8417 9.1430 109.3282 48.8441 0.0000 174.0034 29 R 3.4858 6.9123 119.1191 53.7623 31.2712 175.9667 30 A 4.5268 8.5948 126.5567 52.8787 21.0881 176.9950 31 R 4.3142 7.8218 113.8923 56.3623 31.9414 176.1774 32 S 3.5580 8.5720 116.1802 59.6841 59.0191 170.6459 33 V 4.7404 7.2847 118.7082 60.9505 33.2263 174.3668 34 Y 4.1318 9.1307 126.6918 57.8724 38.2420 176.9157 35 R 3.9579 9.1116 124.8080 59.6282 30.5663 177.6796 36 F 4.2769 8.5800 118.1109 61.2828 39.3139 176.0830 37 F 4.6093 8.8510 116.2530 57.1503 40.2113 175.7962 38 G 3.9592 9.1074 108.7492 46.7797 0.0000 173.0961 39 L 4.9469 7.7893 117.6303 52.2351 45.7299 176.7552 40 C 4.9462 8.5428 117.3502 57.7052 30.1018 174.7174 41 R 4.0236 9.1038 118.6736 59.8940 28.6344 178.5370 42 I 3.8456 7.7508 120.7310 64.0495 37.3732 177.5347 43 C 4.0855 7.9281 116.8385 62.8433 28.1503 175.7348 44 L 3.7509 8.0083 122.0114 58.3458 41.4565 179.2105 45 R 3.7609 7.4477 117.9677 59.2331 29.8276 177.9765 46 E 3.9034 7.8034 117.4809 59.2492 29.6231 179.1094 47 L 4.2205 8.0086 118.2279 57.3626 42.1016 178.6984 48 A 3.9303 7.7255 120.5855 56.0306 17.9849 179.4131 49 H 4.1520 7.8662 112.8641 58.8951 28.8740 177.7118 50 K 4.2573 8.6625 118.9251 56.7152 32.0030 177.8999 51 G 3.9075 7.9950 107.2735 46.6099 0.0000 173.7766 52 Q 4.3375 8.1322 115.9000 55.5120 28.7640 175.9164 53 L 4.6531 7.6345 119.6052 52.0471 42.2965 173.8996 54 P 4.3938 0.0000 0.0000 64.1235 31.6592 178.1868 55 G 4.0848 8.8853 109.7917 46.3723 0.0000 174.2415 56 V 3.8204 7.5853 119.4871 62.8476 32.1058 175.0639 57 R 4.5270 8.2177 123.8703 54.8058 32.6653 174.3380 58 K 3.7124 8.7324 121.7827 57.3401 32.4129 176.3453 59 A 4.8717 8.3950 125.8229 51.1339 21.1739 175.7941 60 S 4.7137 7.8862 114.0603 57.3270 67.0381 174.8442 61 W 4.1323 8.2358 118.5187 57.5704 27.1947 174.3225 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 2 A 8.26 4.35 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 R 7.95 4.24 0.00 1.89 1.85 0.00 3.20 0.00 0.00 3.32 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 4 K 8.47 4.16 0.00 1.80 1.82 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.51 7.81 5 A 7.82 4.38 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 6 L 7.88 4.16 0.00 1.92 1.83 0.99 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.54 4.12 1.88 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 1.70 0.54 1.00 0.00 0.00 8 E 7.72 4.24 0.00 2.23 2.01 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 2.45 2.29 0.00 9 K 8.45 3.43 0.00 1.81 2.07 0.00 1.88 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.49 7.81 10 A 7.79 3.85 0.99 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 0.00 0.00 11 K 8.50 4.05 0.00 1.82 1.81 0.00 1.88 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.63 7.81 12 R 7.50 3.87 0.00 1.76 1.87 0.00 3.13 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 13 T 8.33 4.40 4.21 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 1.18 0.00 0.00 14 P 0.00 5.00 0.00 2.05 1.99 0.00 3.88 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.88 0.00 15 K 8.27 3.09 0.00 1.57 0.93 0.00 1.23 0.00 0.00 1.49 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.16 1.11 7.81 16 F 6.71 4.03 0.00 3.15 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 9.13 3.90 0.00 1.96 2.16 0.00 1.55 0.00 0.00 1.85 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.57 1.56 7.81 18 V 8.12 3.80 2.15 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 0.80 0.00 0.00 1.08 0.00 0.00 19 R 8.47 4.07 0.00 1.78 2.04 0.00 3.03 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.62 0.00 20 A 7.47 4.05 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 21 Y 7.78 4.99 0.00 3.01 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.51 4.02 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 1.25 0.00 0.00 23 R 8.16 4.62 0.00 1.67 1.67 0.00 3.61 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.69 0.00 24 C 8.69 4.35 0.00 3.02 3.07 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 25 V 7.74 4.11 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 0.86 0.00 0.00 1.02 0.00 0.00 26 R 8.20 4.08 0.00 1.87 1.99 0.00 3.23 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 27 C 7.71 4.93 0.00 3.08 3.02 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 28 G 9.14 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 R 6.91 3.49 0.00 2.15 1.81 0.00 3.12 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 30 A 8.59 4.53 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 31 R 7.82 4.31 0.00 1.81 1.86 0.00 3.28 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 32 S 8.57 3.56 0.00 4.08 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 33 V 7.28 4.74 2.12 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 0.96 0.00 0.00 1.03 0.00 0.00 34 Y 9.13 4.13 0.00 3.17 3.06 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 0.00 0.00 0.00 35 R 9.11 3.96 0.00 1.92 2.07 0.00 3.29 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 36 F 8.58 4.28 0.00 3.15 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.85 4.61 0.00 3.05 3.15 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 38 G 9.11 3.96 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 0.00 0.00 0.00 39 L 7.79 4.95 0.00 1.75 1.53 1.11 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.54 4.95 0.00 3.15 3.11 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 0.00 0.00 0.00 0.00 41 R 9.10 4.02 0.00 2.21 2.52 0.00 2.84 0.00 0.00 3.21 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 42 I 7.75 3.85 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.99 0.90 0.00 0.00 43 C 7.93 4.09 0.00 2.97 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 44 L 8.01 3.75 0.00 1.64 1.71 0.29 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.45 3.76 0.00 1.71 1.92 0.00 3.10 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.42 0.00 46 E 7.80 3.90 0.00 2.11 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 2.31 2.46 0.00 47 L 8.01 4.22 0.00 1.69 1.71 0.98 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.73 3.93 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 0.00 0.00 0.00 0.00 0.00 49 H 7.87 4.15 0.00 3.05 3.37 0.00 5.85 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.66 4.26 0.00 1.89 1.88 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.61 7.81 51 G 7.99 3.91 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 0.00 0.00 0.00 52 Q 8.13 4.34 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.10 6.87 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 53 L 7.63 4.65 0.00 1.75 1.82 0.90 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.39 0.00 2.05 2.04 0.00 3.84 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 55 G 8.89 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 56 V 7.59 3.82 2.33 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 0.73 0.00 0.00 1.12 0.00 0.00 57 R 8.22 4.53 0.00 1.77 1.74 0.00 3.34 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 58 K 8.73 3.71 0.00 1.78 1.79 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.39 7.81 59 A 8.39 4.87 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.89 4.71 0.00 3.89 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 61 W 8.24 4.13 0.00 3.27 3.03 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