NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5127 8.3601 120.3160 52.9536 40.0499 175.1368 2 A 4.0095 8.3926 127.2837 50.9727 19.2646 174.4212 3 A 4.4712 8.9665 123.7740 50.9256 20.9150 176.7949 4 V 4.0300 8.0670 116.5924 60.2654 33.0311 175.9299 5 T 4.0068 8.2497 117.2796 63.8162 68.5708 173.6498 6 P 4.3701 0.0000 0.0000 66.0584 31.6182 178.3034 7 E 3.9036 8.1903 119.2651 58.8446 29.5421 177.9704 8 E 3.8497 8.2091 118.7257 59.5720 29.5309 178.9378 9 R 4.0469 7.6817 117.1618 59.8003 29.9528 178.2154 10 H 3.9479 8.3429 117.8954 59.9719 29.6866 176.5309 11 L 4.0979 7.8720 120.3218 56.8880 41.8358 178.9394 12 S 4.1936 9.1811 116.0615 61.8804 62.9758 177.1433 13 K 3.9772 8.7251 122.5994 59.8492 32.0033 178.7160 14 M 4.1722 7.6389 118.5001 58.7014 31.7322 178.6602 15 Q 4.0394 8.1567 117.1275 58.5184 28.9453 177.2302 16 Q 4.4025 7.6245 113.4751 55.4838 31.6509 175.9892 17 N 4.2226 8.7605 121.2513 55.1436 40.3730 177.1821 18 G 4.2350 8.2930 106.1963 45.9126 0.0000 172.8764 19 Y 4.4195 8.1326 121.2327 56.6695 41.6137 173.4682 20 E 4.3693 7.9284 126.3948 53.9978 31.3743 175.2655 21 N 4.3195 8.5007 123.8021 52.8800 39.7006 173.6775 22 P 4.2958 0.0000 0.0000 66.0852 32.0380 178.1818 23 T 3.7711 8.1430 112.5150 65.0056 67.3363 173.5474 24 Y 4.3615 7.4419 121.6480 60.8172 38.8225 175.8191 25 K 3.5546 8.0086 119.5446 56.7058 28.9053 173.8991 26 F 4.0266 8.1734 120.0965 57.1456 39.2885 174.6623 27 F 3.6724 7.3714 125.9544 58.6436 39.1713 174.5334 28 E 3.5635 9.2197 127.8553 56.2601 28.8043 171.1399 29 Q 3.3641 8.5658 126.7655 56.2728 27.0489 173.0704 30 M 4.3859 8.3359 125.3859 53.3689 31.7670 176.1981 31 Q 3.9623 8.6472 122.5392 56.1024 29.5734 177.6936 32 N 4.5247 8.6493 117.4880 53.2100 37.5387 174.8716 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 D 8.36 4.51 0.00 2.80 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.39 4.01 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 3 A 8.97 4.47 1.24 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 0.00 0.00 0.00 4 V 8.07 4.03 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 0.82 0.00 0.00 0.93 0.00 0.00 5 T 8.25 4.01 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 1.26 0.00 0.00 6 P 0.00 4.37 0.00 2.26 2.29 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.01 0.00 7 E 8.19 3.90 0.00 2.09 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 2.38 2.44 0.00 8 E 8.21 3.85 0.00 2.11 1.97 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 2.39 2.51 0.00 9 R 7.68 4.05 0.00 2.09 1.99 0.00 3.37 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 10 H 8.34 3.95 0.00 3.23 3.54 0.00 5.77 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.87 4.10 0.00 1.91 1.61 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 12 S 9.18 4.19 0.00 3.96 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.73 3.98 0.00 1.84 1.99 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.09 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 1.50 7.81 14 M 7.64 4.17 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.74 0.00 15 Q 8.16 4.04 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 16 Q 7.62 4.40 0.00 2.08 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.85 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 17 N 8.76 4.22 0.00 2.80 2.93 0.00 0.00 7.13 7.66 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 18 G 8.29 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 0.00 0.00 0.00 0.00 19 Y 8.13 4.42 0.00 2.82 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 7.93 4.37 0.00 1.79 1.69 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 2.08 2.15 0.00 21 N 8.50 4.32 0.00 2.70 2.71 0.00 0.00 6.95 7.78 0.00 0.00 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 P 0.00 4.30 0.00 2.25 2.24 0.00 3.79 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.88 0.00 23 T 8.14 3.77 4.28 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 1.33 0.00 0.00 24 Y 7.44 4.36 0.00 3.04 3.08 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 0.00 0.00 0.00 25 K 8.01 3.55 0.00 1.73 1.61 0.00 1.71 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.62 7.81 26 F 8.17 4.03 0.00 3.02 3.02 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 0.00 0.00 0.00 27 F 7.37 3.67 0.00 2.66 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.22 3.56 0.00 1.96 1.95 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 2.19 2.32 0.00 29 Q 8.57 3.36 0.00 2.46 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.05 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 30 M 8.34 4.39 0.00 2.06 2.05 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 2.55 2.56 0.00 31 Q 8.65 3.96 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.05 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 32 N 8.65 4.52 0.00 2.81 2.80 0.00 0.00 5.96 7.56 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