NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 M 4.4604 8.3001 118.1944 54.6257 32.8025 175.1111 3 A 3.9174 8.5852 125.6921 51.2450 19.1414 176.9565 4 Q 4.0797 8.8195 121.9463 58.3047 30.0259 176.8795 5 L 3.9825 7.8047 121.2014 58.4894 42.2284 178.3328 6 E 3.9652 8.2943 118.4906 59.3132 29.3751 179.1982 7 A 4.3086 7.8426 121.7503 54.4627 18.4903 179.4595 8 K 3.9098 7.8333 117.8887 59.5138 32.2757 179.3528 9 V 3.5697 7.8765 118.7203 65.8287 31.1462 177.9297 10 E 3.8521 8.2288 118.5342 59.2155 29.1989 178.9071 11 E 3.8638 8.0828 119.4335 59.1368 29.6934 178.6530 12 L 3.8428 7.8032 120.4414 57.9457 42.0599 179.0300 13 L 3.4366 7.6677 118.9500 57.6285 41.3996 179.6086 14 S 3.9912 7.8509 115.4108 61.4014 62.7414 176.7177 15 K 3.9107 8.1498 122.5424 59.2769 31.8542 178.3746 16 N 4.2589 7.9375 117.4633 56.5043 38.7873 176.9357 17 W 4.4737 8.0830 120.3837 59.9916 29.1845 178.3043 18 N 4.4231 8.6344 116.6818 56.2534 37.8966 177.5488 19 L 4.0277 8.1686 120.4153 57.9175 41.6832 179.3899 20 E 4.0112 8.4497 118.5924 59.5823 29.3555 179.2559 21 N 4.3705 8.6044 116.8026 55.9220 38.5381 177.2319 22 E 3.9049 8.3073 120.9540 59.3496 29.8121 179.0099 23 V 3.5835 8.0424 118.2046 65.9272 31.6624 177.8295 24 A 4.0059 8.3032 120.7615 55.3087 18.2359 179.9055 25 R 3.9483 8.2444 116.6328 59.2314 30.0698 179.3208 26 L 4.0532 8.0749 119.0987 57.5704 41.5023 179.5751 27 K 3.9909 8.2447 118.6585 59.2890 31.9145 179.3280 28 K 3.9499 8.0109 119.6255 59.3091 31.8799 178.8640 29 L 4.0030 7.7006 118.4823 57.7277 41.7239 179.1630 30 V 4.0580 7.5992 108.8432 61.2155 31.8600 177.1758 31 G 3.9141 7.7140 107.2325 45.1612 0.0000 173.4716 32 E 4.0968 8.2264 125.8012 56.2749 29.5774 176.1638 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 2 M 8.30 4.46 0.00 2.14 2.27 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.55 0.00 3 A 8.59 3.92 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 4 Q 8.82 4.08 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.86 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 5 L 7.80 3.98 0.00 1.78 1.63 0.90 0.99 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 6 E 8.29 3.97 0.00 2.17 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 2.32 2.32 0.00 7 A 7.84 4.31 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 7.83 3.91 0.00 1.86 1.96 0.00 1.50 0.00 0.00 1.55 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.45 7.81 9 V 7.88 3.57 2.17 0.00 0.00 0.00 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 0.97 0.00 0.00 10 E 8.23 3.85 0.00 2.20 1.94 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 2.30 2.41 0.00 11 E 8.08 3.86 0.00 2.11 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 0.00 2.26 2.28 0.00 12 L 7.80 3.84 0.00 1.84 1.74 0.86 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.67 3.44 0.00 1.34 0.41 0.77 0.41 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 14 S 7.85 3.99 0.00 3.89 3.94 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 15 K 8.15 3.91 0.00 1.84 1.86 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.43 7.81 16 N 7.94 4.26 0.00 2.77 2.71 0.00 0.00 7.19 8.12 0.00 0.00 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 W 8.08 4.47 0.00 3.66 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 18 N 8.63 4.42 0.00 2.90 2.91 0.00 0.00 7.06 7.32 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 19 L 8.17 4.03 0.00 1.88 1.73 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.45 4.01 0.00 2.28 2.06 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 2.39 2.66 0.00 21 N 8.60 4.37 0.00 2.76 2.88 0.00 0.00 6.64 8.46 0.00 0.00 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 E 8.31 3.90 0.00 2.21 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 0.00 2.32 2.33 0.00 23 V 8.04 3.58 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 0.97 0.00 0.00 1.00 0.00 0.00 24 A 8.30 4.01 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 25 R 8.24 3.95 0.00 2.02 1.99 0.00 3.13 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.91 0.00 26 L 8.07 4.05 0.00 1.85 1.72 0.93 0.55 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 27 K 8.24 3.99 0.00 2.00 1.86 0.00 1.67 0.00 0.00 1.58 0.00 0.00 3.12 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.64 7.81 28 K 8.01 3.95 0.00 1.86 1.95 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 29 L 7.70 4.00 0.00 1.89 1.72 0.92 0.99 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 30 V 7.60 4.06 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 0.78 0.00 0.00 1.06 0.00 0.00 31 G 7.71 3.91 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 0.00 0.00 0.00 32 E 8.23 4.10 0.00 1.93 1.94 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 2.32 2.25 0.00