NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4570 8.3193 115.4114 57.9310 63.3914 172.3059 2 E 4.5910 7.8198 125.1514 52.1850 32.7481 174.4392 3 P 4.4673 0.0000 0.0000 63.0637 32.7105 176.7168 4 D 4.8967 8.2869 117.2645 53.4982 40.1263 178.4781 5 E 3.9818 8.1048 122.4157 60.1500 29.3988 178.7865 6 I 3.7501 7.6920 119.6816 64.4662 36.6961 178.9014 7 C 4.3526 7.9015 116.9564 60.0358 39.7504 176.3616 8 R 3.8983 7.8506 118.2828 59.0201 29.8399 178.3789 9 A 4.1188 7.7519 119.4398 54.6216 18.4844 179.3126 10 R 4.0216 8.0416 117.2085 57.8884 30.3413 176.3146 11 M 4.5340 7.0854 114.5904 53.7305 33.5981 175.8560 12 T 4.3813 7.9648 109.9057 60.8327 71.6775 175.3035 13 H 4.2179 8.6248 118.4492 59.2094 28.7357 177.8609 14 K 4.0283 8.1653 120.7014 59.3392 31.9450 178.1763 15 E 3.9569 7.8925 118.8990 59.4602 29.6465 178.5291 16 F 4.2303 8.4250 120.6001 61.4268 39.3196 176.6430 17 N 4.2329 8.1640 116.4909 56.5340 38.7681 176.3492 18 Y 3.8904 8.0553 120.8965 60.5784 38.9302 177.8109 19 K 3.3756 8.1692 119.6468 59.4408 32.0464 179.1796 20 S 3.7209 7.1890 113.0030 61.2030 61.9207 175.7642 21 N 4.1263 7.6141 118.1504 56.5245 38.5423 177.2732 22 V 3.6138 7.3485 119.3185 65.8051 31.4113 177.2101 23 C 4.1879 8.0086 116.6628 60.1988 39.9240 175.6528 24 N 4.2266 7.9146 116.3307 55.7654 38.8600 176.3450 25 G 3.7587 8.2116 107.2976 47.3170 0.0000 174.8155 26 C 4.2534 7.8114 120.2359 59.6897 43.9586 172.7681 27 G 3.8313 7.0673 106.7710 44.8900 0.0000 173.9098 28 D 4.8651 8.6185 124.9536 54.6041 41.1211 176.4787 29 Q 4.6485 7.8144 116.6694 55.6936 29.7886 177.9402 30 V 3.5614 8.1940 119.1078 66.4030 31.3173 177.0758 31 A 3.9742 8.1484 119.3884 55.4719 17.2511 179.3650 32 A 3.9763 7.9510 118.5207 55.2391 18.5198 180.0388 33 C 4.4811 8.5780 117.5625 59.6509 44.7273 175.0111 34 E 3.7857 8.1510 117.7480 56.4470 29.2889 177.8353 35 A 4.0025 7.4831 121.4050 54.7782 18.6911 179.3168 36 E 4.4957 7.5685 116.1992 55.8178 31.5876 175.5135 37 C 3.3296 8.5527 112.3998 58.3287 38.0027 173.7143 38 F 4.0433 7.7906 111.4822 58.4826 37.3401 177.0047 39 R 4.7466 7.6340 120.3447 53.6189 29.3327 174.2919 40 N 5.0115 7.6272 118.3924 50.4265 41.9523 174.8944 41 D 4.2933 8.6711 119.8979 57.2050 41.3811 178.2134 42 V 3.6004 7.8616 118.5415 66.3309 31.5314 177.3009 43 Y 4.2851 8.9669 119.3359 61.0804 38.4539 177.4541 44 T 3.7538 8.3009 116.7046 66.3427 68.2172 176.4980 45 A 3.9900 8.1452 122.3009 55.2371 18.9537 178.6980 46 C 4.3329 7.9564 114.6600 60.4618 38.5529 175.5958 47 H 3.8365 8.3901 119.9448 59.6427 29.0744 177.0694 48 E 4.0398 7.6998 117.9933 58.4785 29.1973 178.0792 49 A 4.7388 7.5544 119.0036 50.6773 19.4333 176.2349 50 Q 4.4422 7.3321 119.5936 55.1419 30.2483 176.2042 51 K 4.1344 8.5625 121.6281 56.6391 32.1922 177.0314 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 S 8.32 4.46 0.00 3.99 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 2 E 7.82 4.59 0.00 2.11 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 2.14 2.29 0.00 3 P 0.00 4.47 0.00 2.18 2.08 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 4 D 8.29 4.90 0.00 2.75 2.84 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 5 E 8.10 3.98 0.00 2.01 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 2.36 2.37 0.00 6 I 7.69 3.75 1.85 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 1.62 1.17 0.90 0.00 0.00 7 C 7.90 4.35 0.00 3.04 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 8 R 7.85 3.90 0.00 1.83 1.84 0.00 3.16 0.00 0.00 3.41 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.54 0.00 9 A 7.75 4.12 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 10 R 8.04 4.02 0.00 2.06 2.09 0.00 3.26 0.00 0.00 3.30 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 11 M 7.09 4.53 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.84 0.00 12 T 7.96 4.38 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 1.22 0.00 0.00 13 H 8.62 4.22 0.00 3.26 3.44 0.00 5.64 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.17 4.03 0.00 1.87 1.85 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.56 7.81 15 E 7.89 3.96 0.00 2.20 2.20 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 2.40 2.46 0.00 16 F 8.42 4.23 0.00 3.30 3.31 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 17 N 8.16 4.23 0.00 3.11 2.96 0.00 0.00 6.83 8.92 0.00 0.00 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 Y 8.06 3.89 0.00 3.04 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 19 K 8.17 3.38 0.00 0.79 0.74 0.00 1.54 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.57 1.35 7.81 20 S 7.19 3.72 0.00 3.17 3.43 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 0.00 21 N 7.61 4.13 0.00 2.76 2.68 0.00 0.00 6.95 7.27 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 22 V 7.35 3.61 2.24 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 1.27 0.00 0.00 0.47 0.00 0.00 23 C 8.01 4.19 0.00 2.99 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 24 N 7.91 4.23 0.00 2.67 2.79 0.00 0.00 7.20 7.94 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 25 G 8.21 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 C 7.81 4.25 0.00 3.03 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.07 3.83 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 0.00 0.00 0.00 28 D 8.62 4.87 0.00 2.68 2.69 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 29 Q 7.81 4.65 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 30 V 8.19 3.56 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 1.14 0.00 0.00 1.02 0.00 0.00 31 A 8.15 3.97 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 32 A 7.95 3.98 1.39 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 0.00 0.00 0.00 33 C 8.58 4.48 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 34 E 8.15 3.79 0.00 2.02 1.76 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 0.00 2.43 2.47 0.00 35 A 7.48 4.00 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 36 E 7.57 4.50 0.00 2.21 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 2.23 2.32 0.00 37 C 8.55 3.33 0.00 2.99 2.93 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 0.00 0.00 0.00 38 F 7.79 4.04 0.00 3.23 2.73 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 0.00 0.00 0.00 0.00 39 R 7.63 4.75 0.00 1.82 1.95 0.00 3.49 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 40 N 7.63 5.01 0.00 3.04 3.06 0.00 0.00 5.84 8.31 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 41 D 8.67 4.29 0.00 2.83 2.73 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 0.00 0.00 0.00 0.00 42 V 7.86 3.60 2.37 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 1.09 0.00 0.00 1.00 0.00 0.00 43 Y 8.97 4.29 0.00 3.08 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 44 T 8.30 3.75 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 1.17 0.00 0.00 45 A 8.15 3.99 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 46 C 7.96 4.33 0.00 3.07 3.16 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 0.00 0.00 0.00 47 H 8.39 3.84 0.00 2.20 2.83 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 E 7.70 4.04 0.00 2.14 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 2.33 2.47 0.00 49 A 7.55 4.74 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 50 Q 7.33 4.44 0.00 2.12 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.20 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 51 K 8.56 4.13 0.00 1.72 1.70 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.41 7.81