NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 25 A 4.2078 8.2649 123.5829 53.1792 19.8841 174.7213 26 T 3.5673 9.8502 122.3623 61.7876 68.1282 169.6836 27 L 4.4498 8.7820 123.9099 54.9988 43.0875 172.7804 28 K 4.4762 8.0932 117.8683 56.4056 35.3297 175.4008 29 Y 5.3097 7.5516 114.5710 56.5948 42.3522 174.1021 30 I 4.9331 8.9986 121.3025 59.8170 41.6496 173.7616 31 C 4.8862 8.3731 122.4371 57.4989 33.2226 174.4583 32 A 4.1226 8.9266 127.7725 54.4896 17.5593 176.6095 33 E 4.5494 7.0698 110.9022 57.8169 32.9645 176.9778 34 C 4.4845 7.6532 118.0678 56.6712 28.5997 173.0333 35 S 4.3254 7.8781 122.6752 58.9070 61.4247 173.1825 36 S 4.6100 7.7863 118.7915 56.6219 64.5582 175.0808 37 K 3.9917 8.7232 124.4288 57.2043 33.5404 174.7625 38 L 4.3640 8.7359 123.6178 53.6215 40.8607 178.1266 39 S 4.4808 8.7204 109.4940 57.0522 63.3056 169.5518 40 L 4.2691 7.1008 128.7547 56.1193 44.3895 174.3912 41 S 4.5050 8.5782 113.4365 59.1322 64.8870 175.5440 42 R 3.6118 7.5232 118.8670 55.8109 30.9489 178.4232 43 T 3.4228 8.8033 115.1706 65.3126 67.6164 173.8864 44 D 4.6162 8.1474 118.1175 54.4038 40.0287 176.7027 45 A 3.9085 8.0754 121.2164 52.1235 18.8456 178.7911 46 V 4.6264 7.9487 115.2530 62.3298 31.9724 173.9442 47 R 4.8114 7.5418 121.7906 55.5214 32.7364 174.6158 48 C 4.8891 7.7250 118.2839 58.3351 35.3031 175.9423 49 K 4.4388 8.4433 122.4766 54.4410 31.8297 176.4510 50 D 5.1020 8.8096 123.2318 54.0589 37.5975 177.8663 51 C 3.6668 9.0551 115.9844 59.6353 28.9118 174.9941 52 G 3.6383 9.1068 114.5211 49.3210 0.0000 172.0842 53 H 4.0025 7.4534 118.9672 55.3497 27.2508 175.5809 54 R 4.5510 8.1947 130.3367 55.7047 31.1318 177.3728 55 I 3.8419 7.9296 115.8623 60.4500 36.2015 177.2385 56 L 4.7469 9.4045 118.9940 56.4800 40.8458 173.6616 57 L 4.4175 8.1896 122.7698 53.4971 43.9374 176.5546 58 K 4.2980 8.3293 120.7783 61.1893 31.2969 177.2345 59 A 3.4714 7.3406 120.1311 50.2663 19.5593 176.5289 60 R 3.6801 7.7972 121.2897 54.9722 32.1307 175.1015 61 T 4.5593 8.0123 116.2979 62.0907 70.3781 175.5491 62 K 4.1023 8.5310 122.1927 58.8760 32.5552 177.9121 63 R 3.9452 7.8505 116.1098 55.8617 29.1104 176.1903 64 L 4.0397 8.4444 123.0304 55.2529 42.2316 177.1471 65 V 4.2270 8.2274 114.7072 59.6516 33.3135 175.0794 66 Q 4.5890 8.2931 125.1840 54.2607 30.5408 174.4854 67 F 4.9024 8.7112 122.6940 55.7156 42.2424 174.1851 68 E 4.7220 8.6635 120.8412 54.9594 31.3517 175.6661 69 A 4.5713 8.4710 124.0896 52.6845 19.1886 177.8035 70 R 4.2452 7.9748 124.0854 57.9569 30.6843 176.0120 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 25 A 8.26 4.21 1.27 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 0.00 0.00 0.00 26 T 9.85 3.57 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 27 L 8.78 4.45 0.00 1.73 1.60 0.94 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.09 4.48 0.00 1.58 1.52 0.00 1.55 0.00 0.00 1.67 0.00 0.00 2.76 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.26 7.81 29 Y 7.55 5.31 0.00 2.81 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 9.00 4.93 1.90 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 1.16 1.05 0.93 0.00 0.00 31 C 8.37 4.89 0.00 3.02 2.97 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 32 A 8.93 4.12 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 33 E 7.07 4.55 0.00 1.97 1.83 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 2.18 2.16 0.00 34 C 7.65 4.48 0.00 3.09 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.88 4.33 0.00 4.00 3.99 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 36 S 7.79 4.61 0.00 3.97 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.72 3.99 0.00 1.77 1.86 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.48 1.48 7.81 38 L 8.74 4.36 0.00 1.56 0.85 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 39 S 8.72 4.48 0.00 3.88 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.10 4.27 0.00 1.38 1.42 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.58 4.51 0.00 3.88 3.73 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 R 7.52 3.61 0.00 1.91 1.86 0.00 3.28 0.00 0.00 3.34 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 43 T 8.80 3.42 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 44 D 8.15 4.62 0.00 2.81 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 45 A 8.08 3.91 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.95 4.63 2.11 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 0.94 0.00 0.00 0.97 0.00 0.00 47 R 7.54 4.81 0.00 1.80 1.76 0.00 3.21 0.00 0.00 3.15 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.58 0.00 48 C 7.73 4.89 0.00 2.86 2.91 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 49 K 8.44 4.44 0.00 1.79 1.81 0.00 1.90 0.00 0.00 1.63 0.00 0.00 2.75 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.37 7.81 50 D 8.81 5.10 0.00 2.72 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 C 9.06 3.67 0.00 3.06 2.95 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 0.00 0.00 0.00 52 G 9.11 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 H 7.45 4.00 0.00 3.19 3.28 0.00 5.70 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.19 4.55 0.00 1.82 2.21 0.00 3.21 0.00 0.00 3.29 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 55 I 7.93 3.84 1.87 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.91 0.92 0.00 0.00 56 L 9.40 4.75 0.00 1.79 2.10 1.12 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.19 4.42 0.00 1.68 1.53 0.91 0.77 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 58 K 8.33 4.30 0.00 1.36 1.61 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.18 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.11 7.81 59 A 7.34 3.47 1.38 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 0.00 0.00 60 R 7.80 3.68 0.00 1.81 1.90 0.00 3.25 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 61 T 8.01 4.56 4.26 0.00 0.00 0.00 0.00 0.00 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 62 K 8.53 4.10 0.00 1.73 1.86 0.00 1.66 0.00 0.00 1.77 0.00 0.00 3.18 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.49 7.81 63 R 7.85 3.95 0.00 1.91 1.98 0.00 3.06 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 64 L 8.44 4.04 0.00 1.66 1.70 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 65 V 8.23 4.23 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 1.12 0.00 0.00 66 Q 8.29 4.59 0.00 1.95 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.81 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 67 F 8.71 4.90 0.00 3.01 2.95 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 0.00 0.00 0.00 68 E 8.66 4.72 0.00 1.96 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 69 A 8.47 4.57 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 70 R 7.97 4.25 0.00 1.77 1.81 0.00 3.31 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00