#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fi9 s ASP 2 N 0.00 6.56 0.30 1.61 2.15 -1.26 -4.71 116.67 121.31 1fi9 s ASP 2 Ca 0.00 1.72 -0.01 0.00 0.43 0.00 0.00 52.55 54.69 1fi9 s ASP 2 Cb 0.00 -2.53 0.44 0.00 -0.30 0.00 0.00 42.92 40.53 1fi9 s ASP 2 CO 0.00 -1.09 1.90 0.58 -0.17 0.00 0.00 175.17 176.39 1fi9 h VAL 3 N 5.90 1.21 0.67 1.11 2.07 -1.83 0.19 116.25 125.57 1fi9 h VAL 3 Ca -0.33 -0.59 -0.03 0.00 0.82 0.00 0.00 66.70 66.57 1fi9 h VAL 3 Cb 1.15 0.36 0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1fi9 h VAL 3 CO 0.99 0.25 -0.32 -0.33 0.02 0.00 0.00 177.57 178.18 1fi9 h GLU 4 N 0.93 -0.86 -0.76 1.57 4.39 -1.92 -0.34 114.58 117.59 1fi9 h GLU 4 Ca 0.23 0.06 0.05 0.00 0.34 0.00 0.00 59.36 60.03 1fi9 h GLU 4 Cb 0.09 0.20 -0.05 0.00 -0.10 0.00 0.00 28.75 28.88 1fi9 h GLU 4 CO -0.03 -0.57 0.47 0.87 -1.16 0.00 0.00 179.01 178.58 1fi9 h LYS 5 N -1.05 0.85 -0.78 2.33 1.57 -1.91 -1.55 116.57 116.02 1fi9 h LYS 5 Ca -0.09 -0.05 0.18 0.00 -1.87 0.00 0.00 60.65 58.82 1fi9 h LYS 5 Cb 0.69 -0.19 -0.13 0.00 0.08 0.00 0.00 32.23 32.68 1fi9 h LYS 5 CO 0.15 0.57 0.14 0.78 -0.57 0.00 0.00 179.45 180.52 1fi9 h GLY 6 N 0.88 1.06 0.92 3.86 0.00 -0.52 0.45 103.07 109.72 1fi9 h GLY 6 Ca 0.32 0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.65 1fi9 h GLY 6 CO -0.14 -0.28 -0.23 1.70 0.00 0.00 0.00 176.54 177.59 1fi9 h LYS 7 N 0.20 -0.57 -0.61 4.80 3.64 -0.06 -0.50 116.57 123.49 1fi9 h LYS 7 Ca 0.45 0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.80 1fi9 h LYS 7 Cb 0.83 0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.75 1fi9 h LYS 7 CO -0.60 -0.38 0.11 0.87 -2.27 0.00 0.00 179.45 177.18 1fi9 h LYS 8 N -0.59 0.97 0.82 1.90 6.56 -0.72 -2.31 116.57 123.21 1fi9 h LYS 8 Ca -0.04 -0.24 -0.04 0.00 -1.06 0.00 0.00 60.65 59.27 1fi9 h LYS 8 Cb 0.48 -0.13 -0.00 0.00 -0.57 0.00 0.00 32.23 32.01 1fi9 h LYS 8 CO 0.05 0.89 -0.50 0.82 -2.06 0.00 0.00 179.45 178.66 1fi9 h ILE 9 N 0.92 0.00 -0.84 1.86 2.04 0.13 0.40 117.51 122.03 1fi9 h ILE 9 Ca 0.19 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.26 1fi9 h ILE 9 Cb 0.39 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.34 1fi9 h ILE 9 CO 0.01 0.00 0.23 0.15 0.00 0.00 0.00 178.15 178.54 1fi9 h PHE 10 N -1.23 0.35 0.00 1.37 3.57 -0.98 0.50 116.94 120.52 1fi9 h PHE 10 Ca -0.11 0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.41 1fi9 h PHE 10 Cb 0.98 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.70 1fi9 h PHE 10 CO -0.10 -0.15 -0.12 0.28 -2.23 0.00 0.00 178.31 175.99 1fi9 h VAL 11 N 0.25 0.28 -0.02 1.41 2.07 -0.83 0.44 116.25 119.86 1fi9 h VAL 11 Ca 0.51 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1fi9 h VAL 11 Cb 0.96 1.72 0.00 0.00 -1.52 0.00 0.00 31.29 32.45 1fi9 h VAL 11 CO -0.60 0.12 -0.10 0.00 0.02 0.00 0.00 177.57 177.01 1fi9 n GLN 12 N -3.23 1.33 -0.01 1.57 1.13 0.14 -4.55 117.38 113.75 1fi9 n GLN 12 Ca 0.01 -1.18 -0.03 0.00 -1.94 0.00 0.00 57.00 53.85 1fi9 n GLN 12 Cb 0.40 -1.26 -0.01 0.00 0.11 0.00 0.00 30.24 29.48 1fi9 n GLN 12 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1fi9 n LYS 13 N 0.52 0.06 0.00 -1.09 4.76 0.14 -5.01 118.16 117.54 1fi9 n LYS 13 Ca 0.08 0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.55 1fi9 n LYS 13 Cb 0.35 -0.60 0.00 0.00 -1.84 0.00 0.00 35.03 32.94 1fi9 n LYS 13 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1fi9 n ALA 15 N -1.49 0.00 -1.04 0.00 0.00 -0.43 -3.34 120.51 114.20 1fi9 n ALA 15 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 1fi9 n ALA 15 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1fi9 n ALA 15 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1fi9 n GLN 16 N 0.00 2.49 0.00 0.00 6.02 -1.26 -3.12 117.38 121.51 1fi9 n GLN 16 Ca 0.00 -1.39 0.00 0.00 -0.01 0.00 0.00 57.00 55.60 1fi9 n GLN 16 Cb 0.00 -2.28 0.00 0.00 1.02 0.00 0.00 30.24 28.98 1fi9 n GLN 16 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1fi9 s HIS 18 N -1.00 2.09 -0.06 0.00 3.76 -1.18 -2.35 115.29 116.54 1fi9 s HIS 18 Ca 0.00 -0.45 -0.00 0.00 -0.15 0.00 0.00 55.06 54.45 1fi9 s HIS 18 Cb 0.00 -0.97 0.03 0.00 1.11 0.00 0.00 32.58 32.74 1fi9 s HIS 18 CO 0.00 0.56 -0.02 0.99 -0.85 0.00 0.00 174.74 175.42 1fi9 s THR 19 N -2.71 0.44 -0.68 1.30 2.01 -1.26 -4.32 115.64 110.42 1fi9 s THR 19 Ca 0.28 0.02 0.15 0.00 0.31 0.00 0.00 61.69 62.44 1fi9 s THR 19 Cb -0.02 -0.54 0.51 0.00 0.01 0.00 0.00 72.50 72.46 1fi9 s THR 19 CO 0.12 0.24 1.43 1.33 -0.69 0.00 0.00 174.62 177.05 1fi9 n VAL 20 N 4.65 1.75 -3.50 3.82 0.24 -1.26 -0.84 118.33 123.19 1fi9 n VAL 20 Ca -0.15 -1.39 -0.19 0.00 -2.04 0.00 0.00 64.34 60.56 1fi9 n VAL 20 Cb 0.50 0.10 -0.01 0.00 -1.47 0.00 0.00 33.84 32.96 1fi9 n VAL 20 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1fi9 s GLU 21 N -1.95 2.86 0.10 7.34 0.41 -1.26 -4.05 118.70 122.16 1fi9 s GLU 21 Ca 0.38 -1.21 0.20 0.00 -0.41 0.00 0.00 54.97 53.93 1fi9 s GLU 21 Cb 0.27 -2.64 0.82 0.00 -1.78 0.00 0.00 34.13 30.79 1fi9 s GLU 21 CO 0.16 -0.03 1.62 1.17 -0.49 0.00 0.00 175.26 177.69 1fi9 n LYS 22 N -1.59 0.08 0.18 1.61 0.00 -1.26 -3.04 118.16 114.14 1fi9 n LYS 22 Ca 0.01 0.28 -0.14 0.00 0.00 0.00 0.00 58.31 58.46 1fi9 n LYS 22 Cb 0.59 -1.65 -0.07 0.00 0.00 0.00 0.00 35.03 33.91 1fi9 n LYS 22 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1fi9 h GLY 23 N 2.84 -0.50 -2.75 3.14 0.00 -1.96 -3.50 103.07 100.34 1fi9 h GLY 23 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.56 1fi9 h GLY 23 CO 0.00 -0.20 -0.67 0.61 0.00 0.00 0.00 176.54 176.27 1fi9 n GLY 24 N -1.33 -4.22 2.79 4.60 0.00 -1.17 -5.03 105.19 100.83 1fi9 n GLY 24 Ca -0.09 -0.82 -0.16 0.00 0.00 0.00 0.00 46.02 44.95 1fi9 n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fi9 s LYS 25 N -4.35 0.63 -0.68 1.61 1.02 -1.26 -5.05 119.74 111.65 1fi9 s LYS 25 Ca 0.00 -0.77 -0.19 0.00 0.02 0.00 0.00 55.97 55.03 1fi9 s LYS 25 Cb 0.00 -0.67 -0.15 0.00 -0.52 0.00 0.00 37.83 36.48 1fi9 s LYS 25 CO 0.00 -1.18 1.88 -2.39 -0.92 0.00 0.00 175.35 172.74 1fi9 n HIS 26 N 4.33 1.49 -0.05 3.18 1.44 -1.26 -4.51 115.22 119.84 1fi9 n HIS 26 Ca 0.10 -1.64 -0.15 0.00 -2.01 0.00 0.00 57.72 54.02 1fi9 n HIS 26 Cb 0.46 -1.55 -0.14 0.00 0.12 0.00 0.00 29.99 28.88 1fi9 n HIS 26 CO 0.00 0.00 0.00 0.36 -2.81 0.00 0.00 176.34 173.89 1fi9 n LYS 27 N 6.47 0.69 0.16 -1.40 2.85 -1.26 -4.95 118.16 120.71 1fi9 n LYS 27 Ca 0.46 0.19 0.00 0.00 -1.05 0.00 0.00 58.31 57.91 1fi9 n LYS 27 Cb 0.33 -1.65 0.00 0.00 -0.65 0.00 0.00 35.03 33.06 1fi9 n LYS 27 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1fi9 n THR 28 N -3.16 0.00 -2.91 0.58 -1.04 -1.26 -5.12 114.28 101.37 1fi9 n THR 28 Ca -0.31 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.37 1fi9 n THR 28 Cb 1.06 -0.06 -0.06 0.00 -1.82 0.00 0.00 70.33 69.45 1fi9 n THR 28 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1fi9 s GLY 29 N -2.22 2.28 0.87 3.41 0.00 -0.99 -5.07 107.32 105.59 1fi9 s GLY 29 Ca 0.00 0.16 -0.12 0.00 0.00 0.00 0.00 44.72 44.76 1fi9 s GLY 29 CO 0.00 0.40 1.17 2.56 0.00 0.00 0.00 173.10 177.23 1fi9 s PRO 30 N -3.26 1.50 -0.54 2.90 0.04 -1.26 -4.54 135.00 129.84 1fi9 s PRO 30 Ca 0.57 0.15 -0.27 0.00 0.04 0.00 0.00 61.00 61.49 1fi9 s PRO 30 Cb -0.10 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 1fi9 s PRO 30 CO 0.19 -1.92 1.94 1.21 0.04 0.00 0.00 177.00 178.45 1fi9 s ASN 31 N -4.36 5.24 0.48 6.66 3.04 -1.26 -4.35 114.94 120.39 1fi9 s ASN 31 Ca 0.64 0.62 0.32 0.00 0.04 0.00 0.00 52.86 54.47 1fi9 s ASN 31 Cb -0.12 -2.52 1.35 0.00 -1.54 0.00 0.00 41.25 38.41 1fi9 s ASN 31 CO 0.51 -2.34 1.94 0.25 -3.04 0.00 0.00 177.10 174.42 1fi9 h LEU 32 N 16.46 0.00 -9.40 3.21 6.46 -1.34 -3.44 115.31 127.27 1fi9 h LEU 32 Ca -0.27 0.00 -0.62 0.00 -0.12 0.00 0.00 57.88 56.87 1fi9 h LEU 32 Cb 1.18 0.00 0.10 0.00 -0.73 0.00 0.00 40.66 41.21 1fi9 h LEU 32 CO 1.18 0.00 0.15 1.57 -0.62 0.00 0.00 178.44 180.72 1fi9 n HIS 33 N -2.87 1.20 -1.03 1.25 -0.00 -1.12 -1.32 115.22 111.33 1fi9 n HIS 33 Ca 0.01 0.70 -0.01 0.00 0.46 0.00 0.00 57.72 58.88 1fi9 n HIS 33 Cb 0.27 -2.25 -0.00 0.00 -0.12 0.00 0.00 29.99 27.88 1fi9 n HIS 33 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1fi9 n GLY 34 N 1.57 0.35 0.24 1.57 0.00 -0.17 -4.91 105.19 103.83 1fi9 n GLY 34 Ca 0.12 -0.05 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 1fi9 n GLY 34 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1fi9 h LEU 35 N 0.00 -0.63 -8.75 0.99 5.85 -1.46 -3.37 115.31 107.93 1fi9 h LEU 35 Ca -0.02 0.11 -0.56 0.00 0.84 0.00 0.00 57.88 58.25 1fi9 h LEU 35 Cb 0.50 0.30 -0.05 0.00 0.37 0.00 0.00 40.66 41.78 1fi9 h LEU 35 CO 0.03 -0.24 1.13 -0.36 -0.34 0.00 0.00 178.44 178.65 1fi9 s PHE 36 N -6.11 2.23 0.00 1.25 0.08 -1.26 -2.84 117.98 111.33 1fi9 s PHE 36 Ca -0.15 0.63 0.00 0.00 0.12 0.00 0.00 56.93 57.54 1fi9 s PHE 36 Cb 0.11 -4.28 0.00 0.00 -0.57 0.00 0.00 43.02 38.28 1fi9 s PHE 36 CO 0.68 -2.18 0.00 0.41 -0.10 0.00 0.00 175.22 174.03 1fi9 n GLY 37 N 5.21 1.94 3.38 4.36 0.00 -1.26 -4.88 105.19 113.94 1fi9 n GLY 37 Ca 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 1fi9 n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1fi9 s ARG 38 N -0.54 0.55 0.97 1.61 3.52 -1.13 -5.13 118.95 118.80 1fi9 s ARG 38 Ca 0.00 0.74 -0.12 0.00 -0.13 0.00 0.00 55.73 56.21 1fi9 s ARG 38 Cb 0.00 0.21 0.17 0.00 -1.56 0.00 0.00 34.95 33.77 1fi9 s ARG 38 CO 0.00 -0.09 1.10 0.15 -0.81 0.00 0.00 175.30 175.65 1fi9 s LYS 39 N 0.57 0.64 1.13 5.12 1.02 -1.26 -3.86 119.74 123.10 1fi9 s LYS 39 Ca -0.02 0.55 -0.19 0.00 0.02 0.00 0.00 55.97 56.33 1fi9 s LYS 39 Cb -0.04 -1.76 0.28 0.00 -0.52 0.00 0.00 37.83 35.78 1fi9 s LYS 39 CO -0.03 -2.59 1.06 0.25 -0.92 0.00 0.00 175.35 173.12 1fi9 n THR 40 N -4.08 0.00 -3.35 2.17 -2.24 0.62 -4.09 114.28 103.31 1fi9 n THR 40 Ca 0.06 -0.51 -0.24 0.00 -2.27 0.00 0.00 64.05 61.08 1fi9 n THR 40 Cb 0.57 -1.27 0.01 0.00 -2.10 0.00 0.00 70.33 67.54 1fi9 n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fi9 n GLY 41 N -4.21 -0.49 2.83 3.38 0.00 -1.22 -4.85 105.19 100.64 1fi9 n GLY 41 Ca 0.14 0.11 -0.17 0.00 0.00 0.00 0.00 46.02 46.10 1fi9 n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fi9 s GLN 42 N -6.01 0.03 0.18 1.61 -1.52 -1.26 -4.97 119.66 107.72 1fi9 s GLN 42 Ca 0.41 0.54 -0.22 0.00 -1.95 0.00 0.00 55.36 54.14 1fi9 s GLN 42 Cb -0.21 -0.28 0.08 0.00 -0.22 0.00 0.00 33.01 32.38 1fi9 s GLN 42 CO 0.50 -0.30 1.03 0.00 -0.25 0.00 0.00 175.29 176.27 1fi9 s ALA 43 N 2.23 -1.59 1.06 6.09 0.00 -1.26 -5.00 121.76 123.29 1fi9 s ALA 43 Ca 0.03 -0.29 -0.05 0.00 0.00 0.00 0.00 51.96 51.65 1fi9 s ALA 43 Cb -0.12 0.74 0.07 0.00 0.00 0.00 0.00 23.12 23.82 1fi9 s ALA 43 CO -0.06 -1.06 0.25 -0.35 0.00 0.00 0.00 175.76 174.55 1fi9 n PRO 44 N -0.67 -1.64 -0.28 0.00 -0.04 -1.26 -4.88 135.00 126.22 1fi9 n PRO 44 Ca -0.03 -0.41 -0.03 0.00 -0.04 0.00 0.00 63.50 62.99 1fi9 n PRO 44 Cb 0.60 -0.39 -0.01 0.00 -0.04 0.00 0.00 33.50 33.66 1fi9 n PRO 44 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1fi9 n GLY 45 N 0.54 -1.60 7.00 0.55 0.00 -1.26 -4.68 105.19 105.73 1fi9 n GLY 45 Ca 0.04 0.81 0.00 0.00 0.00 0.00 0.00 46.02 46.87 1fi9 n GLY 45 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1fi9 n PHE 46 N -4.99 0.00 -1.99 1.61 7.35 -1.26 -4.51 117.46 113.66 1fi9 n PHE 46 Ca 0.05 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.74 1fi9 n PHE 46 Cb 0.25 0.01 0.00 0.00 0.35 0.00 0.00 39.48 40.09 1fi9 n PHE 46 CO 0.00 0.00 0.00 -2.37 -0.76 0.00 0.00 176.76 173.63 1fi9 n THR 47 N 0.00 0.00 -3.66 -2.13 5.66 -1.26 -5.07 114.28 107.83 1fi9 n THR 47 Ca 0.00 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.79 1fi9 n THR 47 Cb 0.00 0.16 0.00 0.00 -1.55 0.00 0.00 70.33 68.94 1fi9 n THR 47 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 1fi9 n TYR 48 N 0.00 -2.19 -1.65 1.09 4.01 -1.26 -4.86 117.16 112.29 1fi9 n TYR 48 Ca 0.00 0.84 -0.43 0.00 -0.16 0.00 0.00 57.90 58.16 1fi9 n TYR 48 Cb 0.56 -3.07 -0.00 0.00 -0.31 0.00 0.00 39.34 36.52 1fi9 n TYR 48 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1fi9 n THR 49 N -2.64 2.13 -0.33 -0.72 -1.04 -1.26 -4.78 114.28 105.64 1fi9 n THR 49 Ca -0.24 -0.50 -0.07 0.00 -2.04 0.00 0.00 64.05 61.20 1fi9 n THR 49 Cb 0.65 -1.33 -0.04 0.00 -1.82 0.00 0.00 70.33 67.78 1fi9 n THR 49 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1fi9 h ASP 50 N 2.16 -1.74 -0.01 8.00 5.19 -1.91 1.00 116.42 129.12 1fi9 h ASP 50 Ca -0.44 0.29 0.03 0.00 -0.62 0.00 0.00 57.03 56.30 1fi9 h ASP 50 Cb 1.31 0.81 -0.05 0.00 0.18 0.00 0.00 39.33 41.58 1fi9 h ASP 50 CO 0.61 -0.29 -0.28 0.00 -3.12 0.00 0.00 179.24 176.16 1fi9 h ALA 51 N 0.76 -0.38 0.00 3.45 0.00 -1.90 0.24 119.26 121.43 1fi9 h ALA 51 Ca 0.22 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 1fi9 h ALA 51 Cb 0.52 0.49 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 1fi9 h ALA 51 CO -0.86 -0.78 -0.17 -1.71 0.00 0.00 0.00 179.25 175.73 1fi9 n ASN 52 N -5.39 4.52 0.00 0.00 2.85 0.32 -2.42 115.26 115.14 1fi9 n ASN 52 Ca -0.05 -2.29 0.00 0.00 -0.11 0.00 0.00 54.58 52.13 1fi9 n ASN 52 Cb 0.30 -1.12 0.00 0.00 1.24 0.00 0.00 39.78 40.20 1fi9 n ASN 52 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 1fi9 n LYS 53 N 2.20 0.00 0.24 1.20 4.81 -0.94 -3.37 118.16 122.30 1fi9 n LYS 53 Ca 0.23 0.00 0.10 0.00 -0.87 0.00 0.00 58.31 57.77 1fi9 n LYS 53 Cb 0.66 0.00 0.58 0.00 0.02 0.00 0.00 35.03 36.29 1fi9 n LYS 53 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 1fi9 h ASN 54 N 0.00 0.00 0.70 3.14 2.35 -0.53 -3.33 115.58 117.91 1fi9 h ASN 54 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 1fi9 h ASN 54 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1fi9 h ASN 54 CO 0.00 0.20 -0.35 0.50 -1.65 0.00 0.00 177.43 176.13 1fi9 h LYS 55 N 0.00 -0.92 -4.89 0.81 3.64 -1.68 -3.47 116.57 110.05 1fi9 h LYS 55 Ca -0.00 0.06 -0.24 0.00 -1.27 0.00 0.00 60.65 59.20 1fi9 h LYS 55 Cb 0.49 0.21 0.14 0.00 -0.41 0.00 0.00 32.23 32.67 1fi9 h LYS 55 CO 0.03 -0.62 -0.63 0.41 -2.27 0.00 0.00 179.45 176.37 1fi9 n GLY 56 N -1.51 -0.38 0.00 5.01 0.00 -1.25 -5.04 105.19 102.02 1fi9 n GLY 56 Ca -0.14 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1fi9 n GLY 56 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1fi9 n ILE 57 N -3.24 0.00 -4.57 -0.61 -5.35 -1.26 -4.94 119.36 99.38 1fi9 n ILE 57 Ca -0.16 0.00 -0.27 0.00 -0.27 0.00 0.00 62.75 62.05 1fi9 n ILE 57 Cb 0.62 0.00 -0.11 0.00 -1.74 0.00 0.00 39.64 38.41 1fi9 n ILE 57 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1fi9 s THR 58 N -1.13 2.15 -0.10 7.28 -1.32 -1.26 -0.27 115.64 120.98 1fi9 s THR 58 Ca 0.00 -2.13 0.03 0.00 -1.21 0.00 0.00 61.69 58.38 1fi9 s THR 58 Cb 0.00 -2.77 0.00 0.00 -1.51 0.00 0.00 72.50 68.22 1fi9 s THR 58 CO 0.00 -0.13 -0.22 0.26 -2.21 0.00 0.00 174.62 172.32 1fi9 s TRP 59 N -2.65 2.39 0.34 9.09 0.52 -1.25 -4.76 118.94 122.62 1fi9 s TRP 59 Ca 0.33 -1.01 0.00 0.00 0.02 0.00 0.00 56.10 55.44 1fi9 s TRP 59 Cb 0.05 -1.62 0.00 0.00 -1.15 0.00 0.00 33.47 30.75 1fi9 s TRP 59 CO 0.17 -0.43 0.00 1.17 0.02 0.00 0.00 176.95 177.88 1fi9 n LYS 60 N 3.66 0.00 0.00 4.98 4.81 -1.26 -4.04 118.16 126.32 1fi9 n LYS 60 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.24 1fi9 n LYS 60 Cb 0.53 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.58 1fi9 n LYS 60 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1fi9 n GLU 61 N -3.28 0.00 0.15 1.64 0.28 -1.26 -4.95 120.64 113.22 1fi9 n GLU 61 Ca 0.00 0.00 -0.17 0.00 -0.16 0.00 0.00 57.16 56.83 1fi9 n GLU 61 Cb 0.00 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 32.77 1fi9 n GLU 61 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1fi9 h GLU 62 N 0.00 -0.79 0.08 3.44 5.08 -1.98 0.24 114.58 120.65 1fi9 h GLU 62 Ca 0.00 0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1fi9 h GLU 62 Cb 0.00 0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 1fi9 h GLU 62 CO 0.00 -0.52 -0.05 1.79 -1.00 0.00 0.00 179.01 179.23 1fi9 h THR 63 N -0.82 0.90 -0.17 1.13 1.35 -1.94 -2.87 112.91 110.49 1fi9 h THR 63 Ca -0.02 0.00 0.05 0.00 -0.55 0.00 0.00 66.41 65.89 1fi9 h THR 63 Cb 0.79 0.90 -0.07 0.00 -1.73 0.00 0.00 68.15 68.04 1fi9 h THR 63 CO -0.24 0.00 -0.35 -0.07 -0.25 0.00 0.00 175.52 174.61 1fi9 h LEU 64 N -0.12 -1.10 -0.91 3.87 3.38 -1.85 0.17 115.31 118.75 1fi9 h LEU 64 Ca -0.01 0.16 0.19 0.00 0.09 0.00 0.00 57.88 58.32 1fi9 h LEU 64 Cb 0.10 0.47 -0.17 0.00 0.09 0.00 0.00 40.66 41.15 1fi9 h LEU 64 CO 0.01 -0.37 -0.18 0.24 0.09 0.00 0.00 178.44 178.23 1fi9 h MET 65 N -0.40 0.01 -0.02 1.13 2.86 -0.30 0.30 114.93 118.50 1fi9 h MET 65 Ca 0.10 -0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.68 1fi9 h MET 65 Cb 0.57 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.23 1fi9 h MET 65 CO -0.39 0.01 -0.24 0.93 1.06 0.00 0.00 176.91 178.28 1fi9 h GLU 66 N 0.01 0.20 -0.91 1.72 4.39 -1.28 0.59 114.58 119.31 1fi9 h GLU 66 Ca 0.45 -0.19 0.12 0.00 0.34 0.00 0.00 59.36 60.09 1fi9 h GLU 66 Cb 0.74 0.04 -0.08 0.00 -0.10 0.00 0.00 28.75 29.35 1fi9 h GLU 66 CO -0.91 0.87 0.54 -0.92 -1.16 0.00 0.00 179.01 177.43 1fi9 h TYR 67 N -0.40 0.97 0.04 4.33 3.20 0.84 0.50 116.97 126.45 1fi9 h TYR 67 Ca -0.02 0.03 -0.15 0.00 3.14 0.00 0.00 58.73 61.73 1fi9 h TYR 67 Cb 0.94 -0.30 0.01 0.00 1.54 0.00 0.00 36.73 38.92 1fi9 h TYR 67 CO 0.16 0.36 -0.60 -0.07 -1.64 0.00 0.00 178.16 176.37 1fi9 h LEU 68 N 0.85 0.46 -2.63 2.82 3.38 -0.53 -1.47 115.31 118.18 1fi9 h LEU 68 Ca 0.46 -0.82 -0.14 0.00 0.09 0.00 0.00 57.88 57.46 1fi9 h LEU 68 Cb 0.48 -0.14 -0.09 0.00 0.09 0.00 0.00 40.66 41.00 1fi9 h LEU 68 CO -0.28 1.23 0.18 1.21 0.09 0.00 0.00 178.44 180.88 1fi9 n GLU 69 N -4.24 2.07 0.00 1.13 0.00 0.20 -4.45 120.64 115.35 1fi9 n GLU 69 Ca -0.11 -1.42 0.00 0.00 0.00 0.00 0.00 57.16 55.63 1fi9 n GLU 69 Cb 0.69 -1.67 0.00 0.00 0.00 0.00 0.00 31.44 30.46 1fi9 n GLU 69 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1fi9 n ASN 70 N -0.04 0.00 -0.01 4.31 3.02 0.17 -4.91 115.26 117.79 1fi9 n ASN 70 Ca 0.22 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.64 1fi9 n ASN 70 Cb 0.90 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.98 1fi9 n ASN 70 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1fi9 h PRO 71 N 0.00 0.03 -0.65 3.52 0.13 -1.38 -3.18 132.00 130.48 1fi9 h PRO 71 Ca 0.00 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1fi9 h PRO 71 Cb 0.00 -0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 1fi9 h PRO 71 CO 0.00 0.47 0.42 0.87 -0.23 0.00 0.00 178.00 179.53 1fi9 h LYS 72 N -0.40 0.86 -0.62 0.86 6.56 -1.86 -1.89 116.57 120.07 1fi9 h LYS 72 Ca 0.00 -0.06 0.11 0.00 -1.06 0.00 0.00 60.65 59.64 1fi9 h LYS 72 Cb 0.46 -0.19 -0.08 0.00 -0.57 0.00 0.00 32.23 31.85 1fi9 h LYS 72 CO 0.00 0.57 0.20 -0.22 -2.06 0.00 0.00 179.45 177.95 1fi9 h LYS 73 N 0.88 0.35 0.15 3.15 1.63 -1.94 -1.42 116.57 119.37 1fi9 h LYS 73 Ca 0.24 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 60.01 1fi9 h LYS 73 Cb -0.09 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.47 1fi9 h LYS 73 CO -0.05 0.23 -0.07 1.88 -3.45 0.00 0.00 179.45 177.99 1fi9 h TYR 74 N 0.36 -0.19 -1.86 1.91 0.05 -1.43 -3.45 116.97 112.36 1fi9 h TYR 74 Ca 0.32 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.09 1fi9 h TYR 74 Cb 0.44 0.06 -0.24 0.00 1.01 0.00 0.00 36.73 38.01 1fi9 h TYR 74 CO -0.20 0.17 -0.29 -1.50 -1.05 0.00 0.00 178.16 175.29 1fi9 s ILE 75 N -4.63 -0.83 -1.49 -2.88 2.07 -0.59 -5.06 121.20 107.79 1fi9 s ILE 75 Ca -0.15 0.03 -0.11 0.00 -1.41 0.00 0.00 60.65 59.02 1fi9 s ILE 75 Cb 0.02 -0.88 -0.06 0.00 0.13 0.00 0.00 42.46 41.67 1fi9 s ILE 75 CO 0.60 -0.00 2.69 -0.81 -1.91 0.00 0.00 174.94 175.51 1fi9 n PRO 76 N 5.41 3.28 -2.71 3.50 -0.04 -0.84 -4.03 135.00 139.57 1fi9 n PRO 76 Ca -0.07 -2.19 -0.07 0.00 -0.04 0.00 0.00 63.50 61.13 1fi9 n PRO 76 Cb 0.50 -2.86 0.10 0.00 -0.04 0.00 0.00 33.50 31.19 1fi9 n PRO 76 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1fi9 n GLY 77 N 3.74 -0.00 0.98 0.55 0.00 -1.26 -5.05 105.19 104.14 1fi9 n GLY 77 Ca 0.69 0.26 -0.00 0.00 0.00 0.00 0.00 46.02 46.97 1fi9 n GLY 77 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1fi9 n THR 78 N 0.35 0.19 0.00 2.61 -1.04 -1.26 -4.50 114.28 110.64 1fi9 n THR 78 Ca 0.02 0.07 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 1fi9 n THR 78 Cb 0.72 -1.11 0.00 0.00 -1.82 0.00 0.00 70.33 68.12 1fi9 n THR 78 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1fi9 n LYS 79 N -2.66 0.00 -2.80 -2.82 0.00 -1.26 -5.07 118.16 103.55 1fi9 n LYS 79 Ca -0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.26 1fi9 n LYS 79 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 35.03 35.04 1fi9 n LYS 79 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 1fi9 n MET 80 N 0.00 -2.90 -0.56 -1.58 2.81 -1.26 -5.02 117.12 108.61 1fi9 n MET 80 Ca 0.00 2.43 -0.13 0.00 -1.81 0.00 0.00 57.70 58.19 1fi9 n MET 80 Cb 0.00 -5.50 0.11 0.00 -0.71 0.00 0.00 33.22 27.12 1fi9 n MET 80 CO 0.00 0.00 0.00 0.44 1.51 0.00 0.00 175.97 177.92 1fi9 n ILE 81 N 0.17 0.00 -0.23 2.02 -5.35 -1.26 -4.86 119.36 109.86 1fi9 n ILE 81 Ca 0.06 -0.27 0.07 0.00 -0.27 0.00 0.00 62.75 62.35 1fi9 n ILE 81 Cb 0.25 -1.26 0.15 0.00 -1.74 0.00 0.00 39.64 37.04 1fi9 n ILE 81 CO 0.00 0.00 0.00 2.22 -1.76 0.00 0.00 176.55 177.01 1fi9 n PHE 82 N -3.38 0.34 -2.94 4.28 1.16 -1.26 -4.79 117.46 110.88 1fi9 n PHE 82 Ca 0.07 0.80 0.00 0.00 -1.87 0.00 0.00 57.45 56.45 1fi9 n PHE 82 Cb 0.26 -0.95 0.00 0.00 -1.61 0.00 0.00 39.48 37.18 1fi9 n PHE 82 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1fi9 n ALA 83 N -3.51 0.00 -0.66 1.98 0.00 -1.26 -5.15 120.51 111.91 1fi9 n ALA 83 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.29 1fi9 n ALA 83 Cb 0.43 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.11 1fi9 n ALA 83 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1fi9 s GLY 84 N 0.00 1.57 1.02 0.00 0.00 -1.26 -5.01 107.32 103.64 1fi9 s GLY 84 Ca 0.00 -0.03 -0.11 0.00 0.00 0.00 0.00 44.72 44.58 1fi9 s GLY 84 CO 0.00 0.62 1.05 1.39 0.00 0.00 0.00 173.10 176.17 1fi9 n ILE 85 N -4.70 0.00 -0.31 0.90 2.08 -1.26 -4.90 119.36 111.18 1fi9 n ILE 85 Ca 0.05 -0.18 -0.03 0.00 0.56 0.00 0.00 62.75 63.15 1fi9 n ILE 85 Cb 0.54 -0.98 0.01 0.00 -0.75 0.00 0.00 39.64 38.46 1fi9 n ILE 85 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1fi9 n LYS 86 N -4.41 -0.22 -2.68 0.38 5.02 -1.26 -4.83 118.16 110.17 1fi9 n LYS 86 Ca 0.08 1.20 -0.00 0.00 -2.02 0.00 0.00 58.31 57.57 1fi9 n LYS 86 Cb 0.53 -1.78 0.01 0.00 -0.02 0.00 0.00 35.03 33.77 1fi9 n LYS 86 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1fi9 n LYS 87 N -5.11 0.23 -0.31 1.97 2.85 -1.26 -5.03 118.16 111.50 1fi9 n LYS 87 Ca 0.06 -0.58 -0.01 0.00 -1.05 0.00 0.00 58.31 56.73 1fi9 n LYS 87 Cb 0.29 0.83 0.11 0.00 -0.65 0.00 0.00 35.03 35.61 1fi9 n LYS 87 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 1fi9 h LYS 88 N 0.00 1.01 -0.04 -1.58 3.64 -1.99 -1.90 116.57 115.71 1fi9 h LYS 88 Ca -0.12 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.21 1fi9 h LYS 88 Cb 0.56 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 1fi9 h LYS 88 CO 0.16 0.67 -0.17 1.15 -2.27 0.00 0.00 179.45 178.99 1fi9 h THR 89 N 1.04 0.00 -0.68 1.00 2.02 -1.99 0.03 112.91 114.33 1fi9 h THR 89 Ca 0.34 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.67 1fi9 h THR 89 Cb 0.03 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.32 1fi9 h THR 89 CO -0.12 0.00 -0.01 -0.33 0.37 0.00 0.00 175.52 175.43 1fi9 h GLU 90 N -0.19 0.10 -0.65 6.66 3.07 -1.92 0.02 114.58 121.67 1fi9 h GLU 90 Ca 0.01 -0.01 0.10 0.00 -0.50 0.00 0.00 59.36 58.97 1fi9 h GLU 90 Cb 0.22 -0.02 -0.08 0.00 -0.84 0.00 0.00 28.75 28.03 1fi9 h GLU 90 CO -0.13 0.07 0.26 0.00 -1.40 0.00 0.00 179.01 177.80 1fi9 h ARG 91 N 0.10 0.44 0.27 2.33 3.08 -0.70 0.18 114.38 120.08 1fi9 h ARG 91 Ca 0.36 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.37 1fi9 h ARG 91 Cb 0.61 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1fi9 h ARG 91 CO -0.60 0.29 -0.13 1.49 -1.07 0.00 0.00 179.97 179.95 1fi9 h GLU 92 N 0.45 -0.35 -0.70 0.04 4.22 0.74 -0.53 114.58 118.45 1fi9 h GLU 92 Ca 0.33 0.02 0.14 0.00 0.08 0.00 0.00 59.36 59.94 1fi9 h GLU 92 Cb 0.42 0.08 -0.10 0.00 0.50 0.00 0.00 28.75 29.65 1fi9 h GLU 92 CO -0.32 -0.16 0.21 -0.44 -2.18 0.00 0.00 179.01 176.13 1fi9 h ASP 93 N -0.47 0.12 0.20 1.04 3.32 -0.65 0.60 116.42 120.58 1fi9 h ASP 93 Ca -0.04 0.12 0.01 0.00 0.02 0.00 0.00 57.03 57.15 1fi9 h ASP 93 Cb 0.35 0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.00 1fi9 h ASP 93 CO 0.06 0.03 -0.37 0.25 -1.72 0.00 0.00 179.24 177.49 1fi9 h LEU 94 N 0.34 -1.07 -0.88 1.55 6.46 -0.22 -1.03 115.31 120.45 1fi9 h LEU 94 Ca 0.39 0.11 0.21 0.00 -0.12 0.00 0.00 57.88 58.46 1fi9 h LEU 94 Cb 0.60 0.39 -0.12 0.00 -0.73 0.00 0.00 40.66 40.81 1fi9 h LEU 94 CO -0.43 -0.47 0.40 0.40 -0.62 0.00 0.00 178.44 177.71 1fi9 h ILE 95 N -0.65 0.52 -0.32 4.05 5.03 -0.15 -0.76 117.51 125.22 1fi9 h ILE 95 Ca 0.01 -0.15 0.07 0.00 -0.12 0.00 0.00 64.86 64.67 1fi9 h ILE 95 Cb 0.65 0.04 -0.07 0.00 -3.03 0.00 0.00 36.82 34.41 1fi9 h ILE 95 CO -0.17 0.08 -0.18 0.00 -0.68 0.00 0.00 178.15 177.20 1fi9 h ALA 96 N 1.68 0.05 0.69 1.87 0.00 0.41 0.30 119.26 124.25 1fi9 h ALA 96 Ca 0.54 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.53 1fi9 h ALA 96 Cb 0.98 0.42 0.01 0.00 0.00 0.00 0.00 17.79 19.20 1fi9 h ALA 96 CO -0.50 -0.57 -0.33 -0.92 0.00 0.00 0.00 179.25 176.93 1fi9 h TYR 97 N -0.14 -0.85 -0.99 0.00 3.20 -0.87 -3.13 116.97 114.18 1fi9 h TYR 97 Ca 0.16 -0.02 0.34 0.00 3.14 0.00 0.00 58.73 62.35 1fi9 h TYR 97 Cb 0.39 0.28 -0.18 0.00 1.54 0.00 0.00 36.73 38.77 1fi9 h TYR 97 CO -0.38 -0.50 0.29 -0.07 -1.64 0.00 0.00 178.16 175.86 1fi9 h LEU 98 N -1.10 -0.06 -0.37 2.82 4.07 -0.75 0.22 115.31 120.14 1fi9 h LEU 98 Ca -0.09 0.26 0.05 0.00 0.08 0.00 0.00 57.88 58.18 1fi9 h LEU 98 Cb 0.74 0.37 -0.08 0.00 1.08 0.00 0.00 40.66 42.76 1fi9 h LEU 98 CO 0.15 -0.38 -0.56 0.11 -1.08 0.00 0.00 178.44 176.69 1fi9 h LYS 99 N 0.03 -0.41 -0.03 1.13 1.57 -0.35 0.17 116.57 118.68 1fi9 h LYS 99 Ca 0.72 0.03 -0.25 0.00 -1.87 0.00 0.00 60.65 59.28 1fi9 h LYS 99 Cb 1.71 0.09 0.01 0.00 0.08 0.00 0.00 32.23 34.13 1fi9 h LYS 99 CO -0.83 -0.27 -0.96 -0.22 -0.57 0.00 0.00 179.45 176.59 1fi9 h LYS 100 N -0.43 0.63 0.09 3.15 3.64 -1.09 -3.07 116.57 119.49 1fi9 h LYS 100 Ca 0.07 -0.64 0.01 0.00 -1.27 0.00 0.00 60.65 58.81 1fi9 h LYS 100 Cb 0.61 0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.59 1fi9 h LYS 100 CO -0.58 1.25 -0.11 0.00 -2.27 0.00 0.00 179.45 177.74 1fi9 h ALA 101 N 0.54 -0.20 -0.23 5.00 0.00 -0.21 -0.51 119.26 123.65 1fi9 h ALA 101 Ca -0.10 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 1fi9 h ALA 101 Cb 1.60 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 1fi9 h ALA 101 CO 0.18 -0.63 -0.42 1.79 0.00 0.00 0.00 179.25 180.18 1fi9 h THR 102 N -0.23 1.30 0.52 0.00 1.35 -0.81 -3.14 112.91 111.91 1fi9 h THR 102 Ca 0.01 -1.59 -0.02 0.00 -0.55 0.00 0.00 66.41 64.26 1fi9 h THR 102 Cb 0.24 1.57 -0.01 0.00 -1.73 0.00 0.00 68.15 68.22 1fi9 h THR 102 CO -0.05 0.50 -0.41 -1.13 -0.25 0.00 0.00 175.52 174.18 1fi9 h ASN 103 N 0.46 -1.09 0.00 5.36 -0.73 -1.37 -0.42 115.58 117.78 1fi9 h ASN 103 Ca 0.04 0.08 0.00 0.00 1.87 0.00 0.00 56.30 58.28 1fi9 h ASN 103 Cb 0.92 0.34 0.00 0.00 0.27 0.00 0.00 38.32 39.85 1fi9 h ASN 103 CO 0.08 -0.58 0.00 1.21 -0.37 0.00 0.00 177.43 177.77