NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3516 8.0333 117.3757 63.7939 70.8435 175.5404 2 S 4.1221 7.8680 116.2027 59.5051 62.9006 174.1814 3 S 4.3045 8.7611 117.0563 60.3486 62.6472 175.5034 4 I 3.8004 7.7862 123.0814 64.6032 37.0409 178.0842 5 V 3.6548 7.9224 118.5137 66.6939 30.8047 176.7975 6 H 4.1577 7.9098 117.3498 59.5000 29.5686 177.0717 7 L 3.7937 7.6739 120.2548 58.9735 40.2399 178.1987 8 C 3.9265 8.7839 119.4169 62.8885 31.2809 175.0411 9 A 4.0281 8.8350 121.0114 55.7510 17.8850 179.2364 10 I 3.5934 7.7785 115.9874 64.8027 37.2452 177.9795 11 S 4.2100 8.6422 112.8370 61.8784 62.4607 175.6868 12 L 4.1083 8.9572 123.1787 58.7338 41.7333 178.8161 13 I 3.7411 8.2070 119.4165 64.9851 37.0154 178.2061 14 R 3.6772 8.2997 118.3175 58.7541 29.7374 176.5004 15 Y 4.7283 8.2016 115.3928 57.2029 38.6489 176.9541 16 W 4.3447 9.2634 121.7318 59.6524 28.8561 176.8109 17 S 3.7415 7.1905 113.3873 56.5661 58.2232 171.2003 18 I 4.4911 6.8849 123.7224 62.5329 45.7093 176.3658 19 T 3.7645 7.7027 116.0690 66.9457 68.5426 175.5390 20 Q 3.9255 8.0104 118.4556 58.7724 29.0404 178.4377 21 A 4.6082 6.8613 117.7047 50.5973 18.0715 175.0534 22 I 4.2193 7.6517 121.4175 61.2219 40.6512 175.9402 23 E 4.4315 8.0134 118.3892 58.1682 30.0752 176.8640 24 Y 3.9601 8.2353 116.2138 61.2894 37.7736 178.0963 25 N 4.2742 8.4002 115.5784 57.0998 38.9771 175.6418 26 L 3.9897 7.4556 119.5839 57.3803 43.4953 178.0157 27 K 4.2427 7.3104 120.4208 53.8588 30.5156 175.7229 28 R 3.8689 7.6974 121.2699 56.9091 31.5804 176.2713 29 T 3.2683 8.2855 113.9505 64.1065 64.7971 169.4191 30 P 4.2902 0.0000 0.0000 62.0901 33.1945 173.1337 31 R 3.7574 8.3034 124.7859 54.9567 30.8106 175.7803 32 R 4.0840 8.7103 118.4783 56.8518 29.0658 176.2222 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 T 8.03 4.35 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 1.21 0.00 0.00 2 S 7.87 4.12 0.00 3.95 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 3 S 8.76 4.30 0.00 3.90 3.87 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.79 3.80 2.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.84 0.91 0.00 0.00 5 V 7.92 3.65 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.94 0.00 0.00 6 H 7.91 4.16 0.00 3.41 3.41 0.00 5.84 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 7.67 3.79 0.00 1.96 1.79 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 8 C 8.78 3.93 0.00 3.16 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 9 A 8.83 4.03 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.78 3.59 1.99 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.69 0.92 0.00 0.00 11 S 8.64 4.21 0.00 3.96 4.18 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 0.00 0.00 0.00 12 L 8.96 4.11 0.00 1.84 1.91 1.05 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.21 3.74 2.07 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.84 0.82 0.00 0.00 14 R 8.30 3.68 0.00 1.77 2.12 0.00 3.15 0.00 0.00 2.87 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.57 0.00 15 Y 8.20 4.73 0.00 3.20 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.26 4.34 0.00 3.57 3.37 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.19 3.74 0.00 3.29 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 I 6.88 4.49 1.97 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.23 0.96 0.00 0.00 19 T 7.70 3.76 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 1.23 0.00 0.00 20 Q 8.01 3.93 0.00 1.70 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.40 0.00 0.00 0.00 0.00 0.00 2.35 1.95 0.00 21 A 6.86 4.61 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.65 4.22 2.07 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.98 0.96 0.00 0.00 23 E 8.01 4.43 0.00 2.20 2.00 0.00 0.00 0.00 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 2.45 0.00 24 Y 8.24 3.96 0.00 3.00 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 25 N 8.40 4.27 0.00 2.73 2.89 0.00 0.00 6.84 7.77 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 26 L 7.46 3.99 0.00 1.79 1.74 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.31 4.24 0.00 1.74 1.63 0.00 1.81 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.49 7.81 28 R 7.70 3.87 0.00 1.83 1.91 0.00 3.41 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 29 T 8.29 3.27 4.22 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 1.20 0.00 0.00 30 P 0.00 4.29 0.00 2.19 1.74 0.00 3.95 0.00 0.00 3.61 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 31 R 8.30 3.76 0.00 1.99 1.95 0.00 3.30 0.00 0.00 3.30 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 32 R 8.71 4.08 0.00 1.94 1.92 0.00 3.12 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00