NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 27 M 4.2475 8.3044 120.3264 55.4086 33.5564 174.6279 28 D 4.1434 8.3400 121.5651 53.3367 41.3432 172.1511 29 L 4.5036 9.5853 121.3732 54.7598 42.5812 179.1175 30 A 3.9814 8.3355 124.3101 54.9734 18.3042 178.4610 31 P 4.2013 0.0000 0.0000 65.8698 31.5663 178.8780 32 Q 3.9888 7.9833 116.2380 59.2436 28.7212 178.5588 33 M 4.0670 8.3247 120.0127 58.2076 31.9197 178.5133 34 L 3.9222 8.3284 120.9393 58.1595 42.2705 178.9078 35 R 3.8679 7.9825 118.5881 59.6167 29.9809 178.3218 36 E 3.9948 8.1151 117.9668 59.4153 29.4606 179.3667 37 L 4.0174 7.9790 119.0764 57.8665 41.6404 179.6172 38 Q 4.0294 8.3602 118.2350 58.9755 28.6276 178.6228 39 E 4.0040 8.2882 119.7000 59.5117 29.3804 179.5123 40 T 3.8468 8.0626 115.8373 66.7455 68.5136 176.3442 41 N 4.2811 8.2460 118.0758 56.2874 38.4395 177.2020 42 A 3.9629 8.0327 121.8595 55.2859 18.4414 179.6247 43 A 3.9500 8.0611 119.2380 55.1074 18.3655 179.6584 44 L 3.9216 8.1666 119.2089 58.3118 42.1199 179.2495 45 Q 3.9789 8.3453 118.3524 58.7301 28.5113 178.1454 46 D 4.2731 7.8867 119.3786 57.3152 41.2242 178.3722 47 V 3.5520 7.9402 118.8635 65.9708 31.4969 177.8777 48 R 3.8611 8.1878 118.5038 59.6528 30.0145 178.4384 49 E 4.0218 8.2025 118.2930 59.1875 29.3359 179.3900 50 L 3.9818 8.1253 119.4652 57.6873 41.7205 179.2459 51 L 3.9198 8.1984 120.6017 57.9671 41.6255 178.8856 52 R 3.8440 8.0620 118.7170 59.6016 30.0545 178.3621 53 Q 4.0132 8.0136 119.1393 59.0433 28.9986 177.8023 54 Q 3.9427 8.2904 120.8281 59.3604 29.0511 178.7534 55 V 3.5824 7.9122 113.3814 63.9441 31.4732 178.5116 56 K 3.5252 7.5591 118.2849 59.4415 32.0460 178.7411 57 E 4.1667 8.0105 118.7407 59.5285 29.2915 179.4794 58 I 3.7365 7.8943 119.8878 64.7195 37.1893 178.6360 59 T 3.8197 8.1162 116.9582 66.5730 68.1720 176.7700 60 F 4.5528 7.9828 119.8175 60.4563 39.0596 177.4473 61 L 3.9854 8.1575 120.0789 57.9963 41.9063 178.8005 62 K 3.9161 8.3668 119.8675 59.8332 31.9973 178.5048 63 N 4.4176 8.2327 116.5561 56.6210 38.2092 177.6037 64 T 3.9211 7.7941 116.4913 66.4824 68.7791 176.6304 65 V 3.7671 7.7669 119.8843 66.2031 31.3983 178.0204 66 M 4.1155 7.9309 117.3602 57.7183 31.8326 177.5252 67 E 4.7075 7.5859 115.7899 55.0674 30.3482 175.4917 68 C 4.2366 7.8636 121.1078 59.1678 31.1464 173.6876 69 D 4.3105 8.7700 128.2180 57.2315 40.6003 178.3254 70 A 4.1031 7.9342 120.6447 54.5900 18.7377 176.9370 71 C 4.3015 8.0531 118.2577 60.0912 28.2390 173.4511 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 27 M 8.30 4.25 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 28 D 8.34 4.14 0.00 2.90 2.61 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 0.00 0.00 0.00 0.00 29 L 9.59 4.50 0.00 1.63 1.65 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.34 3.98 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 4.20 0.00 2.17 2.11 0.00 3.60 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 32 Q 7.98 3.99 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 33 M 8.32 4.07 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.54 0.00 34 L 8.33 3.92 0.00 1.78 1.87 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.98 3.87 0.00 1.98 2.10 0.00 3.20 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 36 E 8.12 3.99 0.00 2.20 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 0.00 2.55 2.49 0.00 37 L 7.98 4.02 0.00 1.87 1.71 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.36 4.03 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.63 0.00 39 E 8.29 4.00 0.00 2.17 1.99 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 2.33 2.46 0.00 40 T 8.06 3.85 4.40 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 1.21 0.00 0.00 41 N 8.25 4.28 0.00 2.88 2.87 0.00 0.00 6.96 6.38 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 42 A 8.03 3.96 1.40 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 0.00 0.00 43 A 8.06 3.95 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 44 L 8.17 3.92 0.00 1.83 1.92 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.35 3.98 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 46 D 7.89 4.27 0.00 2.81 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 47 V 7.94 3.55 2.23 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 1.02 0.00 0.00 0.99 0.00 0.00 48 R 8.19 3.86 0.00 1.91 2.11 0.00 3.14 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 49 E 8.20 4.02 0.00 2.18 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 0.00 2.54 2.49 0.00 50 L 8.13 3.98 0.00 1.85 1.71 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.20 3.92 0.00 1.86 1.77 0.91 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 52 R 8.06 3.84 0.00 2.04 2.08 0.00 3.13 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 53 Q 8.01 4.01 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 54 Q 8.29 3.94 0.00 2.23 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.57 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 55 V 7.91 3.58 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 0.75 0.00 0.00 0.95 0.00 0.00 56 K 7.56 3.53 0.00 1.71 1.97 0.00 1.75 0.00 0.00 1.90 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.82 1.10 7.81 57 E 8.01 4.17 0.00 2.21 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 0.00 2.61 2.54 0.00 58 I 7.89 3.74 1.96 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 1.52 0.84 0.90 0.00 0.00 59 T 8.12 3.82 4.05 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 1.12 0.00 0.00 60 F 7.98 4.55 0.00 3.29 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 61 L 8.16 3.99 0.00 1.93 1.92 0.95 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.37 3.92 0.00 1.85 2.01 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.50 7.81 63 N 8.23 4.42 0.00 3.03 2.91 0.00 0.00 7.08 7.06 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 64 T 7.79 3.92 4.42 0.00 0.00 0.00 0.00 0.00 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 65 V 7.77 3.77 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 1.04 0.00 0.00 1.02 0.00 0.00 66 M 7.93 4.12 0.00 2.06 2.28 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.60 0.00 67 E 7.59 4.71 0.00 1.89 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 0.00 2.47 2.44 0.00 68 C 7.86 4.24 0.00 3.11 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 69 D 8.77 4.31 0.00 2.68 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 70 A 7.93 4.10 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 71 C 8.05 4.30 0.00 3.14 2.85 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