NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3054 8.0976 119.7036 55.2334 31.5649 174.7399 2 P 4.7685 0.0000 0.0000 61.1724 32.3928 174.5901 3 T 4.7116 8.1518 109.9244 60.6271 71.8750 175.2171 4 D 4.7104 8.6454 124.2319 53.5727 40.8496 175.9438 5 I 4.1143 8.0116 121.5881 61.1737 37.6997 175.4556 6 K 4.6146 8.7820 129.5074 56.7233 32.5466 174.7778 7 C 4.9737 8.6938 119.5567 54.7288 44.7362 174.6470 8 S 4.1904 9.1027 115.0338 59.5556 63.6153 174.0027 9 E 4.7554 7.5412 118.2560 53.9639 33.6172 175.9476 10 S 4.2795 8.6965 116.6080 61.4787 62.8510 176.1682 11 Y 4.4518 8.0118 118.5070 59.2556 37.7031 177.5113 12 Q 3.8369 7.0117 120.3333 58.7204 28.7213 177.4303 13 C 4.3797 8.1503 117.5285 59.3686 37.1612 175.6939 14 F 4.2704 8.2195 122.0708 60.9283 38.9254 175.2801 15 P 3.4292 0.0000 0.0000 65.2526 31.1703 178.5408 16 V 3.4400 6.9640 115.0422 65.8922 31.3625 177.4435 17 C 4.4361 8.5742 116.8939 59.8286 35.8347 175.9613 18 K 4.0244 7.8247 122.5876 58.5658 31.4550 179.0513 19 S 3.9791 7.8444 113.1573 61.2878 62.4861 175.7831 20 R 3.7757 7.7202 120.0150 58.9526 30.0211 177.7178 21 F 4.7731 7.7704 115.2120 57.0128 39.6485 176.5876 22 G 3.9465 8.1625 106.0950 46.0621 0.0000 173.9596 23 K 4.3887 7.8529 118.6032 55.3886 33.1780 178.3778 24 T 3.9948 8.3367 110.7756 64.7256 69.3312 174.0220 25 N 4.9430 7.9227 118.5385 52.4496 42.8383 173.4207 26 G 4.4129 8.3448 108.2840 44.7991 0.0000 171.7531 27 R 4.8386 9.0613 119.8973 54.7932 34.2160 173.5846 28 C 4.7751 8.6191 126.5088 55.9337 44.5774 172.7913 29 V 4.1207 8.9720 127.7764 62.0396 31.3002 175.6638 30 N 4.3030 9.7967 125.8868 54.4871 36.1057 175.4943 31 G 3.7244 8.8621 103.9850 46.0332 0.0000 173.3449 32 F 5.4611 7.9736 117.4104 55.5043 43.7258 173.6428 33 C 4.9521 9.3493 120.4094 57.1448 42.7334 172.1463 34 D 5.4886 9.4281 122.5339 52.7803 43.8059 173.5584 35 C 5.3018 9.0508 123.8824 55.2963 44.0451 174.1172 36 F 4.4253 8.2620 116.6901 57.5125 37.4807 173.8568 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 8.10 4.31 0.00 1.76 1.85 0.00 3.00 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 2 P 0.00 4.77 0.00 2.25 2.13 0.00 3.68 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 1.96 2.01 0.00 3 T 8.15 4.71 4.31 0.00 0.00 0.00 0.00 0.00 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 4 D 8.65 4.71 0.00 2.54 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.01 4.11 1.99 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.66 0.95 0.00 0.00 6 K 8.78 4.61 0.00 1.86 1.71 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.26 1.17 7.81 7 C 8.69 4.97 0.00 3.18 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.10 4.19 0.00 3.95 3.97 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 9 E 7.54 4.76 0.00 1.88 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 2.37 2.38 0.00 10 S 8.70 4.28 0.00 3.96 3.99 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 0.00 0.00 0.00 11 Y 8.01 4.45 0.00 3.17 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 12 Q 7.01 3.84 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.72 0.00 0.00 0.00 0.00 0.00 1.84 1.16 0.00 13 C 8.15 4.38 0.00 3.14 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 14 F 8.22 4.27 0.00 3.15 3.09 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 0.00 0.00 0.00 0.00 15 P 0.00 3.43 0.00 2.07 1.81 0.00 3.82 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 16 V 6.96 3.44 2.27 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 1.07 0.00 0.00 0.86 0.00 0.00 17 C 8.57 4.44 0.00 3.13 3.21 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 0.00 0.00 0.00 0.00 18 K 7.82 4.02 0.00 1.80 1.51 0.00 1.81 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.40 7.81 19 S 7.84 3.98 0.00 3.83 3.88 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 20 R 7.72 3.78 0.00 1.43 1.07 0.00 2.90 0.00 0.00 2.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.20 0.00 21 F 7.77 4.77 0.00 3.17 2.96 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 22 G 8.16 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.85 4.39 0.00 1.83 1.88 0.00 1.75 0.00 0.00 1.89 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.60 1.41 7.81 24 T 8.34 3.99 4.26 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 1.24 0.00 0.00 25 N 7.92 4.94 0.00 2.73 2.08 0.00 0.00 7.00 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.34 4.41 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 0.00 27 R 9.06 4.84 0.00 2.19 1.98 0.00 3.19 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 28 C 8.62 4.78 0.00 3.14 3.03 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 0.00 0.00 0.00 0.00 29 V 8.97 4.12 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 0.92 0.00 0.00 1.06 0.00 0.00 30 N 9.80 4.30 0.00 3.05 2.98 0.00 0.00 7.38 7.69 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 31 G 8.86 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.97 5.46 0.00 3.08 2.95 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 0.00 0.00 0.00 33 C 9.35 4.95 0.00 2.99 3.09 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 0.00 0.00 0.00 0.00 34 D 9.43 5.49 0.00 2.82 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 35 C 9.05 5.30 0.00 2.74 2.96 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 36 F 8.26 4.43 0.00 3.13 3.05 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