NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3530 8.0632 119.7198 54.0480 32.8889 175.4465 2 N 3.9313 8.6545 114.0282 52.4697 37.2719 174.4490 3 G 4.3208 7.0795 111.2599 45.6214 0.0000 173.0179 4 T 4.0456 10.0812 119.9378 63.3562 73.1325 176.2868 5 E 3.6645 7.3866 121.0773 57.6672 28.3498 180.0647 6 G 3.2569 7.6641 102.7561 45.9116 0.0000 174.4333 7 P 4.3014 0.0000 0.0000 64.3232 31.8498 176.8610 8 N 4.4957 8.6582 116.1248 52.1522 39.1945 174.2590 9 F 3.0539 9.1935 114.7648 60.7455 37.0964 174.3264 10 Y 3.3592 7.5058 119.9191 58.5182 36.0656 168.2528 11 V 3.3737 7.4613 126.9791 61.6956 32.2318 170.1206 12 P 4.5822 0.0000 0.0000 63.5711 31.1441 176.9265 13 F 2.7260 8.2643 123.1805 61.1873 39.4644 176.7922 14 S 4.2273 8.4995 114.6842 60.8278 62.8039 174.2179 15 N 4.1380 7.6693 117.9005 54.1938 36.5999 175.6736 16 K 4.2872 8.1969 115.2745 56.8703 33.6376 178.4554 17 T 3.5518 7.0132 112.2360 65.1934 68.0846 176.0223 18 G 3.8242 7.7181 108.8739 47.4857 0.0000 174.9026 19 V 3.6762 7.5612 118.9477 65.3570 31.7845 177.5467 20 V 3.9851 8.2640 118.2511 64.0913 33.0264 176.6475 21 R 4.8949 8.1759 115.5120 54.8627 30.5008 175.5473 22 S 4.4585 8.3649 116.1781 61.5285 63.7115 174.8849 23 P 4.3813 0.0000 0.0000 64.9855 31.1483 175.9800 24 F 5.1588 6.6767 111.1535 54.9844 40.3558 174.7924 25 E 4.4468 9.1380 121.3317 58.9421 30.8989 177.8824 26 A 4.5231 8.7367 121.9614 54.7460 18.1137 177.4309 27 P 4.5157 0.0000 0.0000 66.3132 31.4489 178.5044 28 Q 4.0016 8.0282 115.5785 57.8872 28.5074 176.5128 29 Y 4.6739 7.3967 115.7844 59.3670 39.6595 176.1546 30 Y 4.9408 8.3601 117.6364 56.3231 39.4551 174.7413 31 L 4.7362 8.2053 131.5173 55.2321 41.0155 175.5800 32 A 4.4295 7.6036 120.4913 51.9593 20.5995 177.0729 33 E 4.3304 8.1218 113.3882 54.0310 31.7091 176.7636 34 P 3.8722 0.0000 0.0000 65.9855 31.5509 178.5605 35 W 4.1578 6.6814 117.9299 59.4789 29.3650 176.6833 36 E 4.3232 7.9704 121.0846 55.5446 27.2516 176.2478 37 F 4.5221 8.6289 126.5045 58.4848 40.1394 175.9283 38 S 4.0437 8.1630 114.1071 60.6294 62.1394 174.3225 39 M 3.5288 8.2112 122.1207 56.0954 30.7952 176.6412 40 L 4.1723 7.7593 122.4658 55.3982 42.1931 176.5195 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 1 M 8.06 4.35 0.00 1.97 1.07 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.52 0.00 2 N 8.65 3.93 0.00 2.10 1.42 0.00 0.00 6.53 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 G 7.08 4.32 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 0.00 0.00 0.00 4 T 10.08 4.05 4.25 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 5 E 7.39 3.66 0.00 2.37 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 0.00 2.34 2.35 0.00 6 G 7.66 3.26 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 0.00 0.00 0.00 7 P 0.00 4.30 0.00 2.06 2.13 0.00 3.80 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 8 N 8.66 4.50 0.00 2.86 3.00 0.00 0.00 7.12 8.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 F 9.19 3.05 0.00 3.02 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 7.51 3.36 0.00 2.80 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 11 V 7.46 3.37 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 0.94 0.00 0.00 0.97 0.00 0.00 12 P 0.00 4.58 0.00 2.47 2.35 0.00 4.00 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.26 0.00 13 F 8.26 2.73 0.00 2.96 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 14 S 8.50 4.23 0.00 4.16 4.36 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.67 4.14 0.00 2.64 1.90 0.00 0.00 6.17 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.20 4.29 0.00 1.89 1.94 0.00 1.32 0.00 0.00 2.11 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.47 7.81 17 T 7.01 3.55 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 18 G 7.72 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.56 3.68 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.86 0.00 0.00 20 V 8.26 3.99 2.21 0.00 0.00 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 1.00 0.00 0.00 21 R 8.18 4.89 0.00 2.07 2.34 0.00 3.56 0.00 0.00 3.37 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.07 0.00 22 S 8.36 4.46 0.00 3.91 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 23 P 0.00 4.38 0.00 2.13 2.19 0.00 3.81 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 24 F 6.68 5.16 0.00 3.20 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.14 4.45 0.00 2.61 2.50 0.00 0.00 0.00 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 2.53 0.00 26 A 8.74 4.52 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.52 0.00 2.27 2.30 0.00 4.07 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.55 0.00 28 Q 8.03 4.00 0.00 1.19 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.27 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 29 Y 7.40 4.67 0.00 2.62 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.36 4.94 0.00 2.81 2.88 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 0.00 0.00 0.00 31 L 8.21 4.74 0.00 1.75 1.86 0.85 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.60 4.43 0.97 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 0.00 0.00 33 E 8.12 4.33 0.00 1.97 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 2.05 2.02 0.00 34 P 0.00 3.87 0.00 1.54 0.55 0.00 2.20 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.97 0.00 35 W 6.68 4.16 0.00 3.39 3.17 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 0.00 0.00 0.00 0.00 36 E 7.97 4.32 0.00 2.43 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 2.42 2.63 0.00 37 F 8.63 4.52 0.00 3.05 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 S 8.16 4.04 0.00 3.85 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 39 M 8.21 3.53 0.00 2.27 2.24 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.89 0.00 40 L 7.76 4.17 0.00 1.59 1.51 0.91 0.88 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