NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2403 8.2544 119.7071 56.4480 31.6487 175.1780 2 M 4.1826 8.0518 117.4502 54.3376 34.2066 174.0629 3 K 3.8591 8.6512 127.4697 57.3124 30.4941 174.6894 4 K 4.4216 7.4095 110.4938 55.3598 34.7893 177.5841 5 K 3.2725 8.9469 119.8438 58.0287 32.1983 168.5389 6 D 4.4349 8.7298 125.2992 53.6451 41.9068 172.6174 7 E 5.0334 8.5852 124.8234 54.7179 33.9766 175.2349 8 G 3.9230 8.3091 108.7862 45.6349 0.0000 176.5692 9 S 4.3603 9.2033 118.7107 59.7011 65.8278 172.6858 10 Y 3.4699 8.5757 119.1496 61.0099 38.2199 168.3280 11 D 4.3303 8.5338 119.5834 52.3854 47.3800 179.1954 12 L 3.2213 7.7081 120.9378 55.9576 40.7631 172.3258 13 G 3.9566 7.3403 102.6118 45.3688 0.0000 173.9936 14 K 4.1144 7.3988 128.1345 55.0461 38.9514 176.2218 15 K 4.4876 8.7246 113.3506 53.6130 36.1926 174.3288 16 P 4.3374 0.0000 0.0000 62.7095 30.7656 175.9891 17 I 4.3127 7.8452 125.2681 61.1220 39.3529 175.7700 18 Y 4.7569 7.6148 114.4073 57.4627 39.8757 172.6379 19 K 4.6083 8.0054 122.3071 53.5785 36.1442 175.3616 20 K 4.5653 8.0197 125.5339 56.4684 35.0609 174.1928 21 A 4.3671 7.9499 123.4243 50.7059 21.7421 175.0576 22 P 4.6209 0.0000 0.0000 64.1619 33.1639 176.5073 23 T 4.5174 7.9350 105.8995 62.9157 70.7791 171.6572 24 N 4.8675 7.8924 120.1422 52.3377 42.2657 173.3624 25 E 4.6877 8.5432 123.3944 55.2829 31.1269 176.4090 26 F 4.7286 8.9550 117.6318 56.7074 38.3010 175.0845 27 Y 4.6367 7.3244 119.5895 56.6325 42.0537 173.9894 28 A 3.8709 8.3374 127.8631 52.3681 18.4352 177.2134 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 R 8.25 4.24 0.00 1.82 2.02 0.00 3.15 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 2 M 8.05 4.18 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.57 0.00 3 K 8.65 3.86 0.00 1.87 1.79 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.40 7.81 4 K 7.41 4.42 0.00 1.77 1.91 0.00 1.61 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.29 1.47 7.81 5 K 8.95 3.27 0.00 1.83 1.81 0.00 1.90 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.40 7.81 6 D 8.73 4.43 0.00 2.85 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.59 5.03 0.00 2.08 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 8 G 8.31 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.20 4.36 0.00 3.79 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 8.58 3.47 0.00 3.09 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.53 4.33 0.00 2.76 2.56 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 0.00 0.00 0.00 0.00 12 L 7.71 3.22 0.00 1.50 1.49 -0.32 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 13 G 7.34 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 0.00 0.00 0.00 14 K 7.40 4.11 0.00 1.64 1.49 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.22 1.35 7.81 15 K 8.72 4.49 0.00 1.72 1.64 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.37 7.81 16 P 0.00 4.34 0.00 2.16 2.09 0.00 3.73 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 17 I 7.85 4.31 1.92 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 1.32 0.58 0.95 0.00 0.00 18 Y 7.61 4.76 0.00 2.80 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.01 4.61 0.00 1.67 1.58 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.29 1.45 7.81 20 K 8.02 4.57 0.00 1.65 1.62 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.13 1.09 7.81 21 A 7.95 4.37 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.62 0.00 2.20 2.11 0.00 3.79 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 23 T 7.94 4.52 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 1.22 0.00 0.00 24 N 7.89 4.87 0.00 2.63 2.66 0.00 0.00 7.33 7.67 0.00 0.00 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 8.54 4.69 0.00 2.01 1.93 0.00 0.00 0.00 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 2.42 0.00 26 F 8.95 4.73 0.00 3.25 3.13 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 27 Y 7.32 4.64 0.00 2.16 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 28 A 8.34 3.87 1.05 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 0.00 0.00