NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4527 8.3344 116.7913 58.4832 64.2987 172.7035 3 N 4.6961 8.2819 122.0010 50.8257 42.2281 172.7533 4 A 4.2601 8.7682 126.4095 54.5704 20.4734 178.7851 5 E 3.7964 8.3166 117.1012 59.4203 29.4757 178.7438 6 A 3.6816 7.7938 120.3145 55.1836 18.4590 179.5226 7 S 4.0056 7.7698 112.0001 61.4660 62.8008 176.5564 8 R 3.7960 8.0236 122.1757 59.1496 29.8003 178.5400 9 V 3.5956 8.0738 118.4486 66.3651 31.5304 177.4284 10 Y 4.2440 8.4626 116.7899 61.1798 37.7074 178.4473 11 E 3.8360 8.3666 120.1591 59.3109 29.7384 178.8232 12 I 3.6903 8.0271 120.1208 64.3993 37.0687 178.4224 13 I 3.6899 8.0289 120.7977 64.3544 37.0024 178.5029 14 V 2.8510 7.4251 118.7561 65.8726 31.3267 177.7626 15 E 3.8988 8.0381 118.0740 59.4651 29.2542 179.4187 16 S 4.0700 8.4134 113.4098 61.2976 62.4795 176.2811 17 V 3.6007 8.1355 121.1900 66.0527 31.3830 177.7158 18 V 3.5295 7.8874 117.8893 66.5142 31.0807 177.6757 19 N 4.3302 7.7506 113.9186 56.3265 38.2349 177.1138 20 E 4.1163 8.0435 119.6731 59.4991 29.5915 179.5805 21 V 3.7683 8.2975 118.4327 65.5754 31.4517 177.7085 22 R 3.8620 7.8874 118.9042 59.4792 29.7378 177.6990 23 E 3.9214 7.8773 117.5389 59.6549 29.6367 178.4661 24 D 4.4430 8.2095 118.1326 57.5429 41.0629 178.7621 25 F 3.8973 8.7588 118.4428 60.7523 39.0642 177.6604 26 E 4.1153 8.8335 118.5223 59.1840 28.9952 179.1986 27 N 4.3508 8.3924 116.2251 56.2084 38.8016 176.7941 28 A 4.2283 8.2523 118.5944 51.6066 18.6351 177.1573 29 G 3.9418 7.6710 105.4564 46.4206 0.0000 174.8702 30 I 3.7174 6.9747 119.0204 59.6868 38.5835 174.6316 31 D 4.8481 7.8166 117.5603 52.8300 44.5172 177.1578 32 E 3.9948 8.5004 127.2655 59.6919 29.6914 178.6505 33 Q 4.1491 7.9164 116.2903 58.2134 28.7151 178.5269 34 T 4.3057 8.1313 119.1781 65.6723 68.6025 176.5069 35 L 3.4892 8.0296 121.8179 58.2257 42.0564 178.8889 36 Q 3.9965 8.2526 117.9536 58.9641 28.6179 178.7221 37 D 4.3288 8.0333 119.9297 57.1857 40.8384 178.1895 38 L 4.0981 8.2389 121.2972 58.2018 41.9630 178.9105 39 K 4.0357 8.1732 119.1662 59.8779 32.2103 178.5081 40 N 4.3614 8.3789 116.7337 56.2308 38.3858 177.6731 41 I 3.7378 8.4261 121.6292 64.0183 37.2177 177.9659 42 W 4.3874 8.5293 129.5747 61.0480 30.3176 178.1235 43 Q 3.8427 8.1466 116.0561 58.2531 28.3363 178.6110 44 K 4.1004 7.9426 121.0772 59.3495 32.1253 178.8752 45 K 3.9265 8.4476 117.6093 59.6481 32.1530 178.7282 46 L 3.9904 8.0307 118.9892 56.4668 41.9391 176.8725 47 T 3.7962 7.6236 119.1880 64.0255 69.1120 171.4966 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 S 8.33 4.45 0.00 3.86 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 3 N 8.28 4.70 0.00 2.63 2.52 0.00 0.00 7.03 7.08 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 4 A 8.77 4.26 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 5 E 8.32 3.80 0.00 2.00 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 2.34 2.37 0.00 6 A 7.79 3.68 0.97 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 7 S 7.77 4.01 0.00 4.01 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 0.00 8 R 8.02 3.80 0.00 1.91 2.11 0.00 3.13 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 9 V 8.07 3.60 2.23 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 1.18 0.00 0.00 0.94 0.00 0.00 10 Y 8.46 4.24 0.00 3.12 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 11 E 8.37 3.84 0.00 2.12 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 0.00 2.25 2.29 0.00 12 I 8.03 3.69 2.04 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 1.51 0.68 0.92 0.00 0.00 13 I 8.03 3.69 1.97 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.95 1.06 0.00 0.00 14 V 7.43 2.85 1.71 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 0.74 0.00 0.00 -0.22 0.00 0.00 15 E 8.04 3.90 0.00 1.99 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 0.00 2.50 2.42 0.00 16 S 8.41 4.07 0.00 3.98 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 17 V 8.14 3.60 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.18 0.00 0.00 18 V 7.89 3.53 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 0.90 0.00 0.00 1.03 0.00 0.00 19 N 7.75 4.33 0.00 2.72 2.87 0.00 0.00 7.19 8.02 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 20 E 8.04 4.12 0.00 2.18 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 2.35 2.47 0.00 21 V 8.30 3.77 2.19 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 1.19 0.00 0.00 0.99 0.00 0.00 22 R 7.89 3.86 0.00 2.01 2.08 0.00 3.16 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 23 E 7.88 3.92 0.00 2.15 1.97 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 2.34 2.39 0.00 24 D 8.21 4.44 0.00 2.99 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 25 F 8.76 3.90 0.00 3.33 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 26 E 8.83 4.12 0.00 2.16 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 2.39 2.65 0.00 27 N 8.39 4.35 0.00 2.85 2.88 0.00 0.00 7.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.25 4.23 1.14 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 29 G 7.67 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 30 I 6.97 3.72 1.60 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.71 0.53 0.00 0.00 31 D 7.82 4.85 0.00 2.85 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 32 E 8.50 3.99 0.00 2.15 1.97 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 2.39 2.48 0.00 33 Q 7.92 4.15 0.00 2.46 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.61 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 34 T 8.13 4.31 4.68 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 1.40 0.00 0.00 35 L 8.03 3.49 0.00 1.30 1.79 0.01 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 8.25 4.00 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.60 2.55 0.00 37 D 8.03 4.33 0.00 2.97 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 38 L 8.24 4.10 0.00 1.82 1.91 0.93 0.49 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 39 K 8.17 4.04 0.00 1.96 1.99 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.45 7.81 40 N 8.38 4.36 0.00 2.90 2.87 0.00 0.00 7.13 6.97 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 41 I 8.43 3.74 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.99 0.96 0.00 0.00 42 W 8.53 4.39 0.00 3.43 3.29 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 43 Q 8.15 3.84 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.74 0.00 0.00 0.00 0.00 0.00 2.07 2.39 0.00 44 K 7.94 4.10 0.00 2.09 1.97 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.49 7.81 45 K 8.45 3.93 0.00 1.97 1.93 0.00 1.82 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.76 1.66 7.81 46 L 8.03 3.99 0.00 1.76 1.85 0.85 0.81 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 47 T 7.62 3.80 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00