NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 54 M 4.4715 8.2893 120.3357 55.1456 33.8804 175.9044 55 H 4.1737 8.3231 115.0185 56.4023 29.1969 173.7495 56 K 4.1458 8.3327 121.1036 54.9147 32.7445 177.2916 57 I 3.9823 7.9452 125.5133 60.4153 37.9745 176.2012 58 N 4.5128 8.2159 121.9435 52.5392 39.1680 175.3004 59 K 3.9823 8.4438 119.9753 57.4365 33.2350 176.8548 60 W 3.6234 8.2022 119.4581 57.5635 26.9871 176.9559 61 S 4.2668 7.9703 114.0127 61.1923 62.9533 176.8981 62 V 3.7465 8.0354 119.9678 63.7547 31.2273 176.6578 63 I 4.4854 7.9161 112.6946 60.3116 37.6687 174.3414 64 Y 4.2999 7.8072 122.5966 59.7154 38.7935 176.1750 65 N 4.2910 8.4617 122.8558 53.3017 36.4864 174.1177 66 I 4.2149 7.4986 119.8100 60.0248 38.5157 176.1125 67 N 4.6700 8.3586 122.3609 52.2662 39.6020 176.4253 68 S 4.3369 8.3432 116.8269 61.1964 63.0522 176.7297 69 T 3.8193 7.8785 119.1266 66.4574 68.2949 176.7248 70 V 3.5939 8.1956 120.4485 66.1954 31.4871 178.2659 71 T 3.8584 8.0510 109.6226 64.5903 68.4761 176.5571 72 R 3.7896 8.2080 121.6152 59.1390 30.0915 178.3365 73 A 3.9432 7.8922 120.4024 55.0068 18.3098 179.3062 74 L 3.8860 8.0207 118.8480 58.4633 42.0780 179.4855 75 R 3.8223 8.3460 118.4194 59.0468 29.9452 178.4520 76 D 4.2946 8.2489 118.0309 57.4330 41.2317 178.4405 77 L 4.0146 7.9132 119.3838 57.9420 41.6215 179.4012 78 M 4.0661 8.2315 118.7230 58.6858 31.9264 178.8890 79 Q 4.1426 8.4794 118.5664 58.8838 28.5992 179.1218 80 G 3.6906 7.9985 106.0350 47.6907 0.0000 175.6758 81 I 3.9237 7.6414 121.5411 64.3259 37.3131 178.4934 82 L 4.0393 7.9759 119.8070 57.8889 41.2575 179.3843 83 Q 4.2085 8.3887 116.6532 57.6496 28.7489 177.5926 84 K 4.3339 7.5544 118.0788 56.5972 32.4653 176.7178 85 I 4.0169 7.5310 125.8259 61.4724 37.1723 175.5224 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 54 M 8.29 4.47 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.53 0.00 55 H 8.32 4.17 0.00 3.34 3.40 0.00 5.51 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.33 4.15 0.00 1.56 1.70 0.00 1.40 0.00 0.00 1.39 0.00 0.00 3.03 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.41 7.81 57 I 7.95 3.98 1.79 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.69 0.82 0.00 0.00 58 N 8.22 4.51 0.00 2.43 2.63 0.00 0.00 7.06 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 59 K 8.44 3.98 0.00 1.86 1.89 0.00 1.96 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.48 7.81 60 W 8.20 3.62 0.00 3.59 3.28 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 61 S 7.97 4.27 0.00 3.93 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 0.00 62 V 8.04 3.75 2.14 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 0.96 0.00 0.00 1.00 0.00 0.00 63 I 7.92 4.49 1.92 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.96 0.98 0.00 0.00 64 Y 7.81 4.30 0.00 3.02 3.05 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 65 N 8.46 4.29 0.00 2.90 2.92 0.00 0.00 7.07 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 I 7.50 4.21 2.04 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.81 0.91 0.00 0.00 67 N 8.36 4.67 0.00 2.96 2.93 0.00 0.00 5.97 7.64 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 68 S 8.34 4.34 0.00 4.03 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 T 7.88 3.82 4.38 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 1.19 0.00 0.00 70 V 8.20 3.59 2.18 0.00 0.00 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 0.97 0.00 0.00 71 T 8.05 3.86 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 72 R 8.21 3.79 0.00 1.97 2.06 0.00 3.07 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 73 A 7.89 3.94 1.37 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 0.00 0.00 0.00 74 L 8.02 3.89 0.00 1.76 1.81 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.35 3.82 0.00 1.93 1.88 0.00 2.96 0.00 0.00 2.96 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.60 0.00 76 D 8.25 4.29 0.00 2.83 2.81 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 77 L 7.91 4.01 0.00 1.90 1.70 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 78 M 8.23 4.07 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.64 0.00 79 Q 8.48 4.14 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 80 G 8.00 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 0.00 0.00 0.00 81 I 7.64 3.92 2.05 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 1.53 1.51 0.93 0.00 0.00 82 L 7.98 4.04 0.00 1.71 1.73 0.95 0.64 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 83 Q 8.39 4.21 0.00 1.99 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.60 2.54 0.00 84 K 7.55 4.33 0.00 1.82 1.84 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.24 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.64 7.81 85 I 7.53 4.02 1.96 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.73 0.92 0.00 0.00