NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 R 4.2576 8.2549 119.7047 56.1421 32.2272 175.5708 7 I 3.7838 7.3930 118.1210 60.2073 37.8956 174.8111 8 K 3.8509 9.4125 119.8015 57.9556 34.4002 176.0170 9 L 4.9655 10.1328 119.9330 52.9237 43.5816 175.8702 10 L 4.9752 9.0218 124.3639 52.5182 46.0245 175.6952 11 L 4.8832 8.4517 122.1983 54.6592 41.5942 175.0184 12 E 4.9912 8.5006 126.1687 55.5436 33.2773 173.6044 13 C 4.9278 7.8835 110.9056 58.0934 32.8690 173.4690 14 T 4.7420 8.3983 111.2466 60.8114 70.5888 173.2934 15 E 5.2382 9.2853 124.7810 54.5312 33.9469 173.7895 16 C 5.6125 7.8030 117.5793 55.6670 32.9971 175.7698 17 K 4.9844 7.9065 121.3830 58.9946 27.0935 175.7303 18 R 3.8599 8.3447 113.8202 56.9904 29.9478 177.7703 19 R 4.5149 7.8445 113.8249 52.2199 28.9428 173.5625 20 N 4.2713 8.8297 118.5429 53.8387 38.1292 172.7526 21 Y 4.8537 7.6917 111.0788 57.1122 40.0061 173.5274 22 A 4.6494 9.4651 127.6446 51.9619 21.6892 176.7183 23 T 3.4282 8.1448 101.9474 60.2056 66.0918 173.1676 24 E 3.9189 9.4021 120.4307 56.3659 28.6691 174.7439 25 K 3.9149 7.5634 124.9996 55.9950 31.1274 176.5599 26 N 4.7575 9.4122 115.1125 54.4952 36.3365 172.8462 27 K 4.5827 7.2240 118.6034 54.8689 34.5587 177.1996 28 R 4.7707 8.9727 134.4693 59.6253 31.6356 172.6673 29 N 4.6624 8.2757 108.7703 52.8923 40.0177 174.0329 30 T 4.1293 7.5746 106.1534 61.3558 69.9561 173.1531 31 P 4.3135 0.0000 0.0000 66.0312 32.7693 178.7492 32 N 4.6388 9.8672 117.0178 52.4202 40.6144 174.8662 33 K 3.7948 9.6933 119.3674 60.3841 31.9944 176.1445 34 L 3.7616 7.0031 119.6599 53.9303 38.9514 176.9682 35 E 4.9553 8.4433 122.6422 55.0372 31.1249 177.6236 36 L 4.0549 8.2561 119.7250 55.4144 40.9481 178.6770 37 R 4.6064 8.4786 129.2932 57.0533 29.9020 174.5102 38 K 4.6890 9.1306 118.8596 54.2454 31.8332 176.0041 39 Y 3.7372 9.2918 119.7777 56.2853 38.4994 165.0000 40 C 4.5031 8.4924 126.8416 58.7282 32.2944 170.4904 41 P 4.8387 0.0000 0.0000 61.4401 33.4084 175.9497 42 W 4.6308 8.8421 115.3674 56.9150 28.4327 175.9492 43 C 4.1541 7.7856 117.2329 61.1329 28.7846 175.3148 44 R 3.2962 8.1748 122.6757 57.6181 28.3311 178.1851 45 K 4.2679 8.6484 119.1394 56.4790 31.9878 174.4047 46 H 4.2450 8.2036 128.4789 51.2634 28.9114 172.6027 47 T 3.2847 7.7824 111.9310 60.1047 69.8240 172.5053 48 V 3.1288 7.3473 117.7859 62.5594 31.6448 176.9521 49 H 4.5512 7.9235 122.1909 51.1910 28.0315 175.2215 50 R 4.3722 8.0152 120.3929 52.2283 30.7430 175.7415 51 E 4.7584 9.8888 118.7176 54.7244 29.5152 181.2348 52 V 3.0305 6.5840 114.1196 61.6595 34.3483 176.2896 53 K 3.4440 8.9244 122.0424 57.3556 30.5551 173.0856 54 I 4.3087 8.0729 124.1689 60.4095 37.9229 175.1061 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 6 R 8.25 4.26 0.00 1.81 2.05 0.00 3.34 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 1.52 1.60 0.00 7 I 7.39 3.78 1.86 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 0.96 0.91 0.00 0.00 8 K 9.41 3.85 0.00 1.67 1.86 0.00 1.61 0.00 0.00 1.81 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.45 7.81 9 L 10.13 4.97 0.00 1.48 1.57 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 10 L 9.02 4.98 0.00 1.62 1.49 0.91 0.41 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 11 L 8.45 4.88 0.00 1.59 1.65 0.89 0.50 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 12 E 8.50 4.99 0.00 1.97 1.81 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 2.14 2.24 0.00 13 C 7.88 4.93 0.00 2.92 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 14 T 8.40 4.74 4.37 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 1.11 0.00 0.00 15 E 9.29 5.24 0.00 2.06 1.77 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 2.22 2.52 0.00 16 C 7.80 5.61 0.00 3.10 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 0.00 0.00 0.00 0.00 17 K 7.91 4.98 0.00 1.77 1.93 0.00 1.84 0.00 0.00 1.89 0.00 0.00 3.00 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.57 1.48 7.81 18 R 8.34 3.86 0.00 1.95 2.04 0.00 3.30 0.00 0.00 3.31 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 19 R 7.84 4.51 0.00 1.93 1.96 0.00 3.53 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 20 N 8.83 4.27 0.00 2.99 3.29 0.00 0.00 6.57 7.48 0.00 0.00 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 7.69 4.85 0.00 2.90 3.32 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 22 A 9.47 4.65 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.14 3.43 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 1.29 0.00 0.00 24 E 9.40 3.92 0.00 1.96 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 2.13 2.13 0.00 25 K 7.56 3.91 0.00 1.95 1.15 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.27 1.37 7.81 26 N 9.41 4.76 0.00 2.78 3.22 0.00 0.00 6.84 7.61 0.00 0.00 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 K 7.22 4.58 0.00 1.92 1.61 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.24 1.10 7.81 28 R 8.97 4.77 0.00 1.89 2.15 0.00 3.25 0.00 0.00 3.38 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.43 0.00 29 N 8.28 4.66 0.00 2.87 2.43 0.00 0.00 7.14 7.29 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 30 T 7.57 4.13 4.24 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 1.21 0.00 0.00 31 P 0.00 4.31 0.00 2.17 2.09 0.00 3.61 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 32 N 9.87 4.64 0.00 2.91 2.34 0.00 0.00 6.85 7.01 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 33 K 9.69 3.79 0.00 1.73 1.90 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.48 7.81 34 L 7.00 3.76 0.00 1.56 1.58 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.44 4.96 0.00 2.27 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 0.00 2.42 2.28 0.00 36 L 8.26 4.05 0.00 1.75 1.53 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.48 4.61 0.00 1.99 2.44 0.00 3.23 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.70 0.00 38 K 9.13 4.69 0.00 1.88 1.18 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.27 1.30 7.81 39 Y 9.29 3.74 0.00 3.07 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 40 C 8.49 4.50 0.00 3.01 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.84 0.00 2.53 2.51 0.00 4.05 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.06 0.00 42 W 8.84 4.63 0.00 3.58 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 43 C 7.79 4.15 0.00 3.25 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 44 R 8.17 3.30 0.00 1.87 1.76 0.00 3.18 0.00 0.00 3.21 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 45 K 8.65 4.27 0.00 1.70 1.73 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.29 1.29 7.81 46 H 8.20 4.25 0.00 3.17 3.43 0.00 5.87 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.78 3.28 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 1.23 0.00 0.00 48 V 7.35 3.13 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 0.71 0.00 0.00 1.00 0.00 0.00 49 H 7.92 4.55 0.00 3.42 4.00 0.00 5.85 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.02 4.37 0.00 1.97 2.18 0.00 3.14 0.00 0.00 3.10 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.38 0.00 51 E 9.89 4.76 0.00 2.07 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 0.00 2.12 2.20 0.00 52 V 6.58 3.03 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 1.14 0.00 0.00 0.99 0.00 0.00 53 K 8.92 3.44 0.00 1.92 1.89 0.00 1.59 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.32 1.37 7.81 54 I 8.07 4.31 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.74 0.88 0.00 0.00