NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8464 8.3549 109.7368 45.9979 0.0000 173.2788 4 I 3.4358 8.2157 129.3373 61.0748 36.4864 172.8271 5 R 4.5489 8.3250 119.4792 54.4865 32.2750 175.5941 6 E 4.3886 8.1900 120.3131 56.0581 31.3084 175.5454 7 K 4.6800 8.4365 120.4631 55.4140 33.5722 176.3617 8 I 4.6953 8.7647 125.4843 59.3525 40.6282 175.1681 9 K 5.3937 8.3287 122.9117 53.8970 34.8307 175.7622 10 L 4.7327 8.6653 126.4778 54.1163 42.5381 177.0545 11 V 4.3972 8.4193 125.0603 62.4490 33.0777 175.0324 12 S 2.7900 7.7575 119.9430 57.4678 62.3744 174.5249 13 S 4.0517 7.5634 121.6063 59.4850 63.5670 173.8251 14 A 4.4739 7.1437 124.5117 50.3380 20.5294 177.7708 15 G 3.8087 8.3864 107.1369 47.3587 0.0000 174.4819 16 T 3.9151 7.4655 111.0080 61.5945 69.0116 175.7156 17 G 3.8525 8.7873 114.6720 48.4275 0.0000 173.5150 18 H 4.1125 7.7134 117.9728 56.4130 30.4141 174.2316 19 F 5.4977 7.0701 119.0527 55.6612 40.8169 171.5473 20 Y 4.8690 8.7161 120.5679 57.1882 42.8303 174.5705 21 T 5.0840 7.8259 112.7689 61.7801 70.4353 172.4059 22 T 4.4785 8.8344 122.5519 62.1758 71.6617 171.3505 23 T 4.8505 8.2395 111.9645 59.9664 70.9816 174.2114 24 K 4.3497 7.6432 122.6484 56.4231 36.9817 172.8370 25 N 4.8165 8.1315 125.8756 51.7402 40.0637 174.6821 26 K 3.8887 8.5360 127.4867 59.7946 32.7623 177.7199 27 R 4.1055 8.1356 117.5289 59.5510 30.3558 178.1708 28 T 3.9337 8.5700 107.1422 64.3544 68.5213 174.5440 29 K 4.3439 7.6964 122.5817 54.5284 34.4025 174.1035 30 P 4.3886 0.0000 0.0000 65.1051 31.6261 177.8405 31 E 4.0354 7.9737 115.0116 55.8328 29.8919 176.7388 32 K 4.0891 8.5219 121.4038 56.6784 32.8192 176.0125 33 L 4.6861 8.3646 119.2688 53.2481 43.3030 175.7467 34 E 5.0439 8.2074 123.3271 54.7360 31.7801 175.5036 35 L 4.3601 8.5272 119.8338 55.1408 42.2891 172.8576 36 K 3.8761 8.7272 121.1974 57.5196 29.9092 174.7743 37 K 4.5454 8.3758 121.8184 53.8622 35.4448 176.7410 38 F 4.1653 8.6701 125.4125 58.7530 40.1181 173.5074 39 D 4.7077 6.3932 118.9075 51.6195 42.0048 174.6811 40 P 4.4290 0.0000 0.0000 64.2751 31.7275 177.4420 41 V 3.9704 7.4971 116.2751 63.1449 32.1056 176.0692 42 V 4.0517 7.2345 116.9197 61.8725 32.7962 176.4692 43 R 3.8764 7.5590 115.4113 56.9272 28.5865 175.2817 44 Q 4.6552 7.1296 118.5236 54.1913 33.0716 174.1501 45 H 4.6280 8.6642 120.6254 56.3835 28.5430 175.6617 46 V 4.0635 8.2343 123.7590 60.7848 34.1561 175.5391 47 I 4.4877 7.7884 121.0461 60.1137 37.0966 174.1971 48 Y 4.4587 8.4022 125.2076 57.7198 39.2055 175.0280 49 K 5.0341 8.0067 122.5966 55.0392 36.6605 170.2712 50 E 3.8376 9.5888 127.6760 56.1710 31.1067 175.2555 51 A 4.7466 8.3924 128.3409 51.0851 19.9319 175.9167 52 K 4.2298 8.1516 124.8387 56.2369 31.5119 177.3297 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 3 G 8.35 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 0.00 0.00 0.00 4 I 8.22 3.44 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 1.41 0.57 0.91 0.00 0.00 5 R 8.33 4.55 0.00 1.79 1.85 0.00 3.28 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 6 E 8.19 4.39 0.00 1.98 1.87 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 2.33 2.29 0.00 7 K 8.44 4.68 0.00 1.64 1.74 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.46 7.81 8 I 8.76 4.70 2.03 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.08 0.97 0.00 0.00 9 K 8.33 5.39 0.00 1.72 1.86 0.00 0.98 0.00 0.00 2.24 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.25 7.81 10 L 8.67 4.73 0.00 1.84 1.93 1.06 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.42 4.40 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 0.91 0.00 0.00 1.03 0.00 0.00 12 S 7.76 2.79 0.00 3.75 3.69 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 13 S 7.56 4.05 0.00 3.96 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 14 A 7.14 4.47 1.20 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 0.00 0.00 15 G 8.39 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 T 7.47 3.92 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 17 G 8.79 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 0.00 0.00 0.00 18 H 7.71 4.11 0.00 3.10 3.25 0.00 5.53 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.07 5.50 0.00 3.26 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 20 Y 8.72 4.87 0.00 3.12 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 21 T 7.83 5.08 4.33 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 1.12 0.00 0.00 22 T 8.83 4.48 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 1.28 0.00 0.00 23 T 8.24 4.85 4.25 0.00 0.00 0.00 0.00 0.00 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 24 K 7.64 4.35 0.00 1.83 1.68 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.19 1.20 7.81 25 N 8.13 4.82 0.00 2.76 2.66 0.00 0.00 6.84 5.97 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 26 K 8.54 3.89 0.00 1.97 1.80 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.54 7.81 27 R 8.14 4.11 0.00 1.97 2.00 0.00 3.28 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 28 T 8.57 3.93 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 29 K 7.70 4.34 0.00 1.75 1.99 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.20 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.38 1.56 7.81 30 P 0.00 4.39 0.00 2.04 2.11 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 31 E 7.97 4.04 0.00 2.08 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 2.29 2.29 0.00 32 K 8.52 4.09 0.00 1.78 1.91 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.48 7.81 33 L 8.36 4.69 0.00 1.75 1.60 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.21 5.04 0.00 1.92 1.85 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 2.22 2.33 0.00 35 L 8.53 4.36 0.00 1.67 1.69 0.95 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.73 3.88 0.00 1.93 1.93 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.46 7.81 37 K 8.38 4.55 0.00 0.81 0.89 0.00 1.65 0.00 0.00 1.59 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.15 0.82 7.81 38 F 8.67 4.17 0.00 2.53 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 39 D 6.39 4.71 0.00 2.98 2.96 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 40 P 0.00 4.43 0.00 2.01 2.16 0.00 3.40 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.08 0.00 41 V 7.50 3.97 2.05 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 0.76 0.00 0.00 0.91 0.00 0.00 42 V 7.23 4.05 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 0.88 0.00 0.00 0.86 0.00 0.00 43 R 7.56 3.88 0.00 1.99 2.06 0.00 3.17 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.53 0.00 44 Q 7.13 4.66 0.00 2.11 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.54 6.98 0.00 0.00 0.00 0.00 0.00 2.28 2.47 0.00 45 H 8.66 4.63 0.00 3.20 3.37 0.00 5.89 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.23 4.06 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 0.84 0.00 0.00 0.86 0.00 0.00 47 I 7.79 4.49 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 1.23 0.77 0.92 0.00 0.00 48 Y 8.40 4.46 0.00 2.70 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.01 5.03 0.00 1.73 1.90 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.73 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.27 1.19 7.81 50 E 9.59 3.84 0.00 2.17 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 2.27 2.24 0.00 51 A 8.39 4.75 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 52 K 8.15 4.23 0.00 1.89 2.06 0.00 1.79 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.30 1.40 7.81