#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 6.44 0.24 1.61 2.15 -1.26 -4.73 116.67 121.12 1fi9 s ASP 2 Ca 0.00 1.64 -0.05 0.00 0.43 0.00 0.00 52.55 54.56 1fi9 s ASP 2 Cb 0.00 -2.53 0.26 0.00 -0.30 0.00 0.00 42.92 40.35 1fi9 s ASP 2 CO 0.00 -1.20 1.83 0.58 -0.17 0.00 0.00 175.17 176.21 1fi9 h VAL 3 N 6.07 1.25 0.62 1.11 2.07 -1.85 0.19 116.25 125.70 1fi9 h VAL 3 Ca -0.33 -0.74 -0.03 0.00 0.82 0.00 0.00 66.70 66.42 1fi9 h VAL 3 Cb 1.15 0.31 0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1fi9 h VAL 3 CO 1.00 0.31 -0.30 -0.33 0.02 0.00 0.00 177.57 178.27 1fi9 h GLU 4 N 1.09 -0.80 -0.74 1.57 5.08 -1.92 0.13 114.58 118.99 1fi9 h GLU 4 Ca 0.26 0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.72 1fi9 h GLU 4 Cb 0.16 0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.54 1fi9 h GLU 4 CO -0.03 -0.54 0.45 0.87 -1.00 0.00 0.00 179.01 178.77 1fi9 h LYS 5 N -0.93 0.82 -0.72 2.33 1.57 -1.93 -1.07 116.57 116.65 1fi9 h LYS 5 Ca -0.09 -0.05 0.16 0.00 -1.87 0.00 0.00 60.65 58.80 1fi9 h LYS 5 Cb 0.64 -0.19 -0.12 0.00 0.08 0.00 0.00 32.23 32.65 1fi9 h LYS 5 CO 0.14 0.54 0.07 0.78 -0.57 0.00 0.00 179.45 180.42 1fi9 h GLY 6 N 0.85 0.87 0.67 3.86 0.00 -0.53 0.30 103.07 109.09 1fi9 h GLY 6 Ca 0.31 0.05 0.05 0.00 0.00 0.00 0.00 47.33 47.74 1fi9 h GLY 6 CO -0.14 -0.24 0.20 1.70 0.00 0.00 0.00 176.54 178.06 1fi9 h LYS 7 N 0.17 0.39 -0.09 4.80 3.64 0.56 -0.26 116.57 125.78 1fi9 h LYS 7 Ca 0.39 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.70 1fi9 h LYS 7 Cb 0.68 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1fi9 h LYS 7 CO -0.57 0.26 -0.13 0.87 -2.27 0.00 0.00 179.45 177.60 1fi9 h LYS 8 N 0.40 0.24 -0.20 1.90 1.79 -0.47 -3.08 116.57 117.16 1fi9 h LYS 8 Ca 0.21 -0.15 0.05 0.00 -2.18 0.00 0.00 60.65 58.59 1fi9 h LYS 8 Cb 0.17 0.01 -0.07 0.00 -1.58 0.00 0.00 32.23 30.76 1fi9 h LYS 8 CO -0.18 0.71 -0.37 0.82 -1.08 0.00 0.00 179.45 179.35 1fi9 h ILE 9 N -0.20 0.20 -0.92 1.86 2.04 -0.22 0.45 117.51 120.72 1fi9 h ILE 9 Ca 0.01 0.00 0.27 0.00 1.00 0.00 0.00 64.86 66.14 1fi9 h ILE 9 Cb 0.69 0.20 -0.15 0.00 -0.74 0.00 0.00 36.82 36.82 1fi9 h ILE 9 CO 0.03 0.00 0.28 0.15 0.00 0.00 0.00 178.15 178.61 1fi9 h PHE 10 N -0.41 0.42 0.00 1.37 3.57 -1.09 0.52 116.94 121.32 1fi9 h PHE 10 Ca 0.10 0.05 -0.11 0.00 3.53 0.00 0.00 57.97 61.55 1fi9 h PHE 10 Cb 0.58 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 1fi9 h PHE 10 CO -0.48 -0.26 -0.51 0.28 -2.23 0.00 0.00 178.31 175.11 1fi9 h VAL 11 N 0.18 0.90 0.00 1.41 2.07 -0.81 0.27 116.25 120.27 1fi9 h VAL 11 Ca 0.61 -2.21 0.00 0.00 0.82 0.00 0.00 66.70 65.92 1fi9 h VAL 11 Cb 1.30 2.40 0.00 0.00 -1.52 0.00 0.00 31.29 33.48 1fi9 h VAL 11 CO -0.69 0.50 -0.82 0.00 0.02 0.00 0.00 177.57 176.58 1fi9 n GLN 12 N -3.25 0.11 -0.06 1.57 1.13 0.14 -4.36 117.38 112.65 1fi9 n GLN 12 Ca 0.02 -0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 54.95 1fi9 n GLN 12 Cb 0.73 -1.54 -0.04 0.00 0.11 0.00 0.00 30.24 29.50 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 -1.68 0.29 0.00 -1.09 4.76 0.15 -5.01 118.16 115.59 1fi9 n LYS 13 Ca 0.04 0.13 0.00 0.00 -2.87 0.00 0.00 58.31 55.60 1fi9 n LYS 13 Cb 0.37 -1.00 0.00 0.00 -1.84 0.00 0.00 35.03 32.56 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 -2.08 0.00 -0.59 0.00 0.00 -0.22 -3.54 120.51 114.08 1fi9 n ALA 15 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1fi9 n ALA 15 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 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 1.19 0.02 0.00 1.13 -1.26 -2.96 117.38 115.50 1fi9 n GLN 16 Ca 0.00 -0.39 0.00 0.00 -1.94 0.00 0.00 57.00 54.67 1fi9 n GLN 16 Cb 0.00 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 28.86 1fi9 n GLN 16 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1fi9 s HIS 18 N -2.00 3.24 0.00 0.00 3.76 -1.15 -2.16 115.29 116.97 1fi9 s HIS 18 Ca 0.00 0.17 0.00 0.00 -0.15 0.00 0.00 55.06 55.08 1fi9 s HIS 18 Cb 0.00 -1.71 0.00 0.00 1.11 0.00 0.00 32.58 31.98 1fi9 s HIS 18 CO 0.00 0.53 0.00 2.41 -0.85 0.00 0.00 174.74 176.83 1fi9 n THR 19 N 1.09 0.00 -0.29 1.30 -1.04 -1.26 -3.98 114.28 110.10 1fi9 n THR 19 Ca -0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 1fi9 n THR 19 Cb 0.52 -0.71 0.00 0.00 -1.82 0.00 0.00 70.33 68.33 1fi9 n THR 19 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 1fi9 n VAL 20 N -2.49 0.00 -1.07 12.58 0.24 -1.26 -4.79 118.33 121.53 1fi9 n VAL 20 Ca 0.00 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.34 1fi9 n VAL 20 Cb 0.38 -0.09 0.27 0.00 -1.47 0.00 0.00 33.84 32.94 1fi9 n VAL 20 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1fi9 n GLU 21 N -2.00 3.10 -1.75 7.34 1.02 -1.26 -3.96 120.64 123.12 1fi9 n GLU 21 Ca 0.00 -2.98 -0.02 0.00 -0.02 0.00 0.00 57.16 54.14 1fi9 n GLU 21 Cb 0.00 -1.96 -0.00 0.00 -0.02 0.00 0.00 31.44 29.46 1fi9 n GLU 21 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1fi9 n LYS 22 N -0.44 -1.94 0.00 3.49 -0.00 -1.26 -4.70 118.16 113.32 1fi9 n LYS 22 Ca 0.28 0.10 0.00 0.00 -0.00 0.00 0.00 58.31 58.69 1fi9 n LYS 22 Cb 1.05 -4.37 0.00 0.00 -0.00 0.00 0.00 35.03 31.71 1fi9 n LYS 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1fi9 n GLY 23 N -0.28 0.18 0.00 2.58 0.00 -1.26 -4.59 105.19 101.82 1fi9 n GLY 23 Ca -0.02 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.07 1fi9 n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fi9 n GLY 24 N 2.08 -0.53 7.00 -0.02 0.00 -1.26 -4.97 105.19 107.49 1fi9 n GLY 24 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1fi9 n GLY 24 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1fi9 n LYS 25 N -1.06 0.00 -0.03 1.61 5.02 -1.26 -4.47 118.16 117.97 1fi9 n LYS 25 Ca 0.10 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.36 1fi9 n LYS 25 Cb 0.06 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.06 1fi9 n LYS 25 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1fi9 n HIS 26 N 12.81 0.00 -0.62 2.13 8.25 -1.26 -4.21 115.22 132.31 1fi9 n HIS 26 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1fi9 n HIS 26 Cb 0.00 -0.19 0.00 0.00 1.12 0.00 0.00 29.99 30.92 1fi9 n HIS 26 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1fi9 n LYS 27 N -3.41 0.00 0.00 -0.41 2.85 -1.26 -4.05 118.16 111.87 1fi9 n LYS 27 Ca -0.05 0.00 -0.01 0.00 -1.05 0.00 0.00 58.31 57.20 1fi9 n LYS 27 Cb 0.20 0.00 -0.00 0.00 -0.65 0.00 0.00 35.03 34.57 1fi9 n LYS 27 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 1fi9 h THR 28 N 0.00 0.00 -2.87 0.58 2.02 -1.95 -3.45 112.91 107.24 1fi9 h THR 28 Ca 0.00 -0.27 -0.57 0.00 0.77 0.00 0.00 66.41 66.35 1fi9 h THR 28 Cb 0.00 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.37 1fi9 h THR 28 CO 0.00 0.00 0.93 -0.83 0.37 0.00 0.00 175.52 175.99 1fi9 s GLY 29 N -2.35 1.61 -1.34 2.16 0.00 -0.92 -4.88 107.32 101.60 1fi9 s GLY 29 Ca -0.01 0.51 -0.15 0.00 0.00 0.00 0.00 44.72 45.08 1fi9 s GLY 29 CO 0.02 2.58 1.89 -1.55 0.00 0.00 0.00 173.10 176.04 1fi9 n PRO 30 N 6.72 3.14 -2.52 2.90 -0.04 -1.26 -4.64 135.00 139.30 1fi9 n PRO 30 Ca 0.14 -3.13 -0.19 0.00 -0.04 0.00 0.00 63.50 60.28 1fi9 n PRO 30 Cb 0.45 -3.31 0.02 0.00 -0.04 0.00 0.00 33.50 30.61 1fi9 n PRO 30 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1fi9 n ASN 31 N 6.80 -2.82 -2.08 3.54 4.13 -1.26 -4.64 115.26 118.94 1fi9 n ASN 31 Ca 0.48 -0.18 -0.05 0.00 1.68 0.00 0.00 54.58 56.51 1fi9 n ASN 31 Cb 0.42 -0.84 -0.07 0.00 -1.54 0.00 0.00 39.78 37.75 1fi9 n ASN 31 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1fi9 n LEU 32 N -0.42 3.00 -4.46 3.41 4.32 -1.26 -4.79 117.00 116.80 1fi9 n LEU 32 Ca -0.07 -1.85 -0.43 0.00 -0.02 0.00 0.00 56.01 53.64 1fi9 n LEU 32 Cb 0.37 -0.76 -0.04 0.00 -1.62 0.00 0.00 43.42 41.37 1fi9 n LEU 32 CO 0.31 0.70 0.80 -2.28 -1.22 0.00 0.00 177.39 175.70 1fi9 s HIS 33 N 1.58 2.64 -0.09 -1.77 5.65 -1.25 -3.18 115.29 118.86 1fi9 s HIS 33 Ca 0.28 -0.51 -0.00 0.00 0.25 0.00 0.00 55.06 55.07 1fi9 s HIS 33 Cb 0.13 -4.33 0.00 0.00 -1.18 0.00 0.00 32.58 27.20 1fi9 s HIS 33 CO 0.00 -1.69 0.04 0.41 -0.65 0.00 0.00 174.74 172.84 1fi9 n GLY 34 N 5.34 0.60 0.31 1.59 0.00 0.11 -4.96 105.19 108.19 1fi9 n GLY 34 Ca -0.03 -0.73 -0.01 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.08 -0.93 -8.92 0.99 5.85 -1.81 -3.38 115.31 107.02 1fi9 h LEU 35 Ca -0.03 0.24 -0.57 0.00 0.84 0.00 0.00 57.88 58.36 1fi9 h LEU 35 Cb 1.02 0.54 -0.04 0.00 0.37 0.00 0.00 40.66 42.55 1fi9 h LEU 35 CO 0.03 -0.27 1.11 -0.36 -0.34 0.00 0.00 178.44 178.61 1fi9 s PHE 36 N -6.13 2.23 0.00 1.25 0.40 -1.26 -3.32 117.98 111.15 1fi9 s PHE 36 Ca -0.14 0.65 0.00 0.00 -0.60 0.00 0.00 56.93 56.84 1fi9 s PHE 36 Cb 0.20 -4.08 0.00 0.00 0.51 0.00 0.00 43.02 39.65 1fi9 s PHE 36 CO 0.73 -2.46 0.00 0.41 0.70 0.00 0.00 175.22 174.59 1fi9 n GLY 37 N 4.85 1.97 3.36 4.36 0.00 -1.24 -4.92 105.19 113.57 1fi9 n GLY 37 Ca 0.18 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.52 0.95 0.97 1.61 3.52 -1.21 -5.10 118.95 119.16 1fi9 s ARG 38 Ca 0.00 -0.21 -0.16 0.00 -0.13 0.00 0.00 55.73 55.23 1fi9 s ARG 38 Cb 0.00 0.43 0.20 0.00 -1.56 0.00 0.00 34.95 34.02 1fi9 s ARG 38 CO 0.00 -0.32 1.32 0.15 -0.81 0.00 0.00 175.30 175.63 1fi9 s LYS 39 N -2.16 0.59 0.81 5.12 1.02 -1.26 -3.81 119.74 120.05 1fi9 s LYS 39 Ca -0.07 -0.40 -0.14 0.00 0.02 0.00 0.00 55.97 55.38 1fi9 s LYS 39 Cb -0.01 -1.84 0.20 0.00 -0.52 0.00 0.00 37.83 35.65 1fi9 s LYS 39 CO 0.00 -2.45 0.86 0.25 -0.92 0.00 0.00 175.35 173.10 1fi9 n THR 40 N -3.79 0.00 -4.30 2.17 -2.24 -0.59 -4.27 114.28 101.26 1fi9 n THR 40 Ca 0.15 -0.50 -0.37 0.00 -2.27 0.00 0.00 64.05 61.06 1fi9 n THR 40 Cb 0.59 -1.37 -0.05 0.00 -2.10 0.00 0.00 70.33 67.40 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 -2.12 -0.39 2.56 3.38 0.00 -1.18 -4.75 105.19 102.69 1fi9 n GLY 41 Ca 0.11 0.12 -0.24 0.00 0.00 0.00 0.00 46.02 46.02 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 -7.03 0.67 0.23 1.61 -1.52 -1.26 -4.80 119.66 107.55 1fi9 s GLN 42 Ca 0.65 -1.32 0.08 0.00 -1.95 0.00 0.00 55.36 52.81 1fi9 s GLN 42 Cb -0.36 -1.08 -0.04 0.00 -0.22 0.00 0.00 33.01 31.31 1fi9 s GLN 42 CO 0.96 -1.25 0.07 0.00 -0.25 0.00 0.00 175.29 174.83 1fi9 s ALA 43 N 0.97 3.35 -1.12 6.09 0.00 -1.26 -5.00 121.76 124.79 1fi9 s ALA 43 Ca 0.21 -1.47 -0.19 0.00 0.00 0.00 0.00 51.96 50.51 1fi9 s ALA 43 Cb -0.14 -1.05 -0.06 0.00 0.00 0.00 0.00 23.12 21.87 1fi9 s ALA 43 CO -0.04 0.34 1.99 -0.35 0.00 0.00 0.00 175.76 177.70 1fi9 n PRO 44 N -0.74 2.17 0.00 0.00 -0.04 -1.26 -4.51 135.00 130.61 1fi9 n PRO 44 Ca -0.08 -2.38 0.00 0.00 -0.04 0.00 0.00 63.50 61.00 1fi9 n PRO 44 Cb 0.57 -3.24 0.00 0.00 -0.04 0.00 0.00 33.50 30.79 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 4.72 1.34 2.77 0.55 0.00 -1.26 -4.96 105.19 108.36 1fi9 n GLY 45 Ca 0.50 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 -0.30 -2.18 1.61 -0.00 -1.26 -4.83 117.46 110.50 1fi9 n PHE 46 Ca 0.00 0.80 -0.39 0.00 -0.00 0.00 0.00 57.45 57.85 1fi9 n PHE 46 Cb 0.00 -1.61 -0.03 0.00 -0.00 0.00 0.00 39.48 37.84 1fi9 n PHE 46 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.76 177.75 1fi9 s THR 47 N -0.73 3.46 0.20 -2.13 2.01 -1.26 -4.78 115.64 112.41 1fi9 s THR 47 Ca 0.54 0.27 -0.09 0.00 0.31 0.00 0.00 61.69 62.73 1fi9 s THR 47 Cb -0.79 -4.20 -0.07 0.00 0.01 0.00 0.00 72.50 67.46 1fi9 s THR 47 CO 0.46 -1.15 0.50 -0.72 -0.69 0.00 0.00 174.62 173.01 1fi9 s TYR 48 N 8.12 3.45 0.31 4.92 1.13 -1.26 -5.08 117.35 128.95 1fi9 s TYR 48 Ca 0.59 0.80 -0.29 0.00 -1.41 0.00 0.00 57.07 56.76 1fi9 s TYR 48 Cb -0.12 -2.20 -0.10 0.00 -1.10 0.00 0.00 41.96 38.45 1fi9 s TYR 48 CO 0.19 0.33 1.19 -0.08 -2.51 0.00 0.00 175.55 174.67 1fi9 s THR 49 N -1.74 3.15 0.32 -3.49 -1.32 -1.26 -4.93 115.64 106.38 1fi9 s THR 49 Ca 0.45 1.15 0.10 0.00 -1.21 0.00 0.00 61.69 62.17 1fi9 s THR 49 Cb -0.12 -3.72 0.33 0.00 -1.51 0.00 0.00 72.50 67.48 1fi9 s THR 49 CO 0.22 0.26 1.65 0.44 -2.21 0.00 0.00 174.62 174.98 1fi9 h ASP 50 N 3.53 0.32 -0.99 8.08 5.19 -1.99 0.78 116.42 131.35 1fi9 h ASP 50 Ca -0.48 0.20 0.35 0.00 -0.62 0.00 0.00 57.03 56.48 1fi9 h ASP 50 Cb 1.22 0.19 -0.17 0.00 0.18 0.00 0.00 39.33 40.75 1fi9 h ASP 50 CO 0.66 -0.15 0.42 0.00 -3.12 0.00 0.00 179.24 177.05 1fi9 h ALA 51 N 1.84 1.85 -0.09 3.45 0.00 -1.92 0.36 119.26 124.75 1fi9 h ALA 51 Ca 0.68 0.26 -0.01 0.00 0.00 0.00 0.00 54.91 55.84 1fi9 h ALA 51 Cb 1.50 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 19.63 1fi9 h ALA 51 CO -0.63 -0.76 0.04 -0.97 0.00 0.00 0.00 179.25 176.92 1fi9 h ASN 52 N 0.09 0.13 -0.44 0.00 -1.24 -1.21 -0.95 115.58 111.96 1fi9 h ASN 52 Ca 0.75 -0.16 -0.10 0.00 0.71 0.00 0.00 56.30 57.50 1fi9 h ASN 52 Cb 1.84 -0.03 -0.02 0.00 0.73 0.00 0.00 38.32 40.83 1fi9 h ASN 52 CO -0.76 0.25 -0.11 0.50 -1.29 0.00 0.00 177.43 176.03 1fi9 h LYS 53 N -0.01 0.90 -0.41 6.67 3.64 -0.81 -2.54 116.57 124.01 1fi9 h LYS 53 Ca 0.03 -0.31 0.04 0.00 -1.27 0.00 0.00 60.65 59.13 1fi9 h LYS 53 Cb 0.16 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 1fi9 h LYS 53 CO -0.00 0.96 0.27 -0.97 -2.27 0.00 0.00 179.45 177.44 1fi9 h ASN 54 N 0.81 0.36 -0.20 4.20 -0.73 -0.27 -2.46 115.58 117.28 1fi9 h ASN 54 Ca 0.13 -0.00 0.03 0.00 1.87 0.00 0.00 56.30 58.32 1fi9 h ASN 54 Cb 0.63 -0.08 -0.03 0.00 0.27 0.00 0.00 38.32 39.11 1fi9 h ASN 54 CO 0.04 0.25 0.03 0.50 -0.37 0.00 0.00 177.43 177.88 1fi9 h LYS 55 N 0.42 0.11 -5.81 6.67 3.64 -0.73 -3.47 116.57 117.39 1fi9 h LYS 55 Ca 0.17 -0.01 -0.36 0.00 -1.27 0.00 0.00 60.65 59.18 1fi9 h LYS 55 Cb 0.15 -0.02 0.13 0.00 -0.41 0.00 0.00 32.23 32.08 1fi9 h LYS 55 CO -0.04 0.07 -0.80 0.41 -2.27 0.00 0.00 179.45 176.82 1fi9 n GLY 56 N -1.17 -0.38 0.82 5.01 0.00 -0.93 -5.01 105.19 103.53 1fi9 n GLY 56 Ca -0.02 0.14 -0.06 0.00 0.00 0.00 0.00 46.02 46.07 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 -4.14 0.00 -4.41 -0.61 -5.35 -1.26 -4.95 119.36 98.65 1fi9 n ILE 57 Ca -0.28 -0.58 -0.28 0.00 -0.27 0.00 0.00 62.75 61.34 1fi9 n ILE 57 Cb 0.67 0.20 -0.04 0.00 -1.74 0.00 0.00 39.64 38.73 1fi9 n ILE 57 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1fi9 n THR 58 N -0.23 0.00 -3.69 7.28 -2.24 -1.26 -1.54 114.28 112.60 1fi9 n THR 58 Ca -0.02 -2.15 -0.28 0.00 -2.27 0.00 0.00 64.05 59.33 1fi9 n THR 58 Cb 0.15 0.27 -0.16 0.00 -2.10 0.00 0.00 70.33 68.49 1fi9 n THR 58 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1fi9 s TRP 59 N -2.64 1.00 -0.37 4.78 0.52 -1.25 -4.67 118.94 116.31 1fi9 s TRP 59 Ca 0.10 -1.01 0.12 0.00 0.02 0.00 0.00 56.10 55.33 1fi9 s TRP 59 Cb -0.01 -1.13 0.41 0.00 -1.15 0.00 0.00 33.47 31.59 1fi9 s TRP 59 CO 0.06 -0.69 1.19 0.36 0.02 0.00 0.00 176.95 177.89 1fi9 n LYS 60 N 5.05 1.16 0.00 4.98 2.85 -1.26 -3.66 118.16 127.29 1fi9 n LYS 60 Ca -0.07 -2.37 0.00 0.00 -1.05 0.00 0.00 58.31 54.82 1fi9 n LYS 60 Cb 0.45 -0.55 0.00 0.00 -0.65 0.00 0.00 35.03 34.28 1fi9 n LYS 60 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 1fi9 n GLU 61 N -0.34 0.00 -0.02 -1.58 0.28 -1.26 -4.70 120.64 113.01 1fi9 n GLU 61 Ca 0.02 0.00 -0.02 0.00 -0.16 0.00 0.00 57.16 57.00 1fi9 n GLU 61 Cb 0.83 -0.02 -0.01 0.00 1.43 0.00 0.00 31.44 33.66 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 -0.05 -0.90 3.44 5.08 -1.95 0.44 114.58 120.65 1fi9 h GLU 62 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1fi9 h GLU 62 Cb 0.00 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 1fi9 h GLU 62 CO 0.00 -0.03 0.52 1.15 -1.00 0.00 0.00 179.01 179.65 1fi9 h THR 63 N -0.05 1.25 -0.50 1.13 2.02 -1.84 -2.79 112.91 112.13 1fi9 h THR 63 Ca 0.01 -0.57 0.03 0.00 0.77 0.00 0.00 66.41 66.65 1fi9 h THR 63 Cb 0.08 0.01 -0.04 0.00 -1.74 0.00 0.00 68.15 66.46 1fi9 h THR 63 CO -0.09 0.27 0.28 -0.07 0.37 0.00 0.00 175.52 176.29 1fi9 h LEU 64 N 1.24 0.44 -1.36 2.58 3.38 -1.69 0.25 115.31 120.15 1fi9 h LEU 64 Ca 0.32 0.01 0.14 0.00 0.09 0.00 0.00 57.88 58.44 1fi9 h LEU 64 Cb -0.02 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.58 1fi9 h LEU 64 CO -0.06 0.31 0.56 0.24 0.09 0.00 0.00 178.44 179.58 1fi9 h MET 65 N 0.56 0.61 0.01 1.13 2.86 0.14 0.13 114.93 120.37 1fi9 h MET 65 Ca 0.21 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.81 1fi9 h MET 65 Cb 0.06 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.58 1fi9 h MET 65 CO -0.11 0.40 -0.00 0.93 1.06 0.00 0.00 176.91 179.19 1fi9 h GLU 66 N 0.63 -0.01 0.30 1.72 5.08 -1.21 -3.27 114.58 117.82 1fi9 h GLU 66 Ca 0.43 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.79 1fi9 h GLU 66 Cb 0.74 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 1fi9 h GLU 66 CO -0.18 0.78 -0.30 -0.92 -1.00 0.00 0.00 179.01 177.40 1fi9 h TYR 67 N -0.98 -0.79 0.00 4.33 5.03 0.22 0.29 116.97 125.07 1fi9 h TYR 67 Ca -0.00 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.30 1fi9 h TYR 67 Cb 0.80 0.31 -0.00 0.00 1.55 0.00 0.00 36.73 39.38 1fi9 h TYR 67 CO 0.22 -0.43 -0.07 -0.07 -1.32 0.00 0.00 178.16 176.49 1fi9 h LEU 68 N -0.63 0.00 -0.92 2.82 3.38 -0.98 0.11 115.31 119.08 1fi9 h LEU 68 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1fi9 h LEU 68 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1fi9 h LEU 68 CO -0.06 0.07 0.00 1.21 0.09 0.00 0.00 178.44 179.75 1fi9 n GLU 69 N -3.77 1.62 -2.69 1.13 0.00 0.34 -3.75 120.64 113.52 1fi9 n GLU 69 Ca -0.02 -0.92 -0.05 0.00 0.00 0.00 0.00 57.16 56.16 1fi9 n GLU 69 Cb 0.17 -1.43 0.09 0.00 0.00 0.00 0.00 31.44 30.26 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 0.12 -1.72 0.00 4.31 3.02 0.76 -4.88 115.26 116.87 1fi9 n ASN 70 Ca 0.18 -2.38 0.08 0.00 -0.03 0.00 0.00 54.58 52.43 1fi9 n ASN 70 Cb 0.32 1.24 0.46 0.00 -0.61 0.00 0.00 39.78 41.19 1fi9 n ASN 70 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1fi9 n PRO 71 N 1.03 0.70 -2.61 3.52 -0.04 0.10 -2.89 135.00 134.81 1fi9 n PRO 71 Ca 0.01 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.31 1fi9 n PRO 71 Cb 0.71 -1.35 0.02 0.00 -0.04 0.00 0.00 33.50 32.84 1fi9 n PRO 71 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1fi9 n LYS 72 N -0.85 2.03 0.03 0.54 4.01 -1.26 -4.59 118.16 118.07 1fi9 n LYS 72 Ca 0.12 -3.75 0.00 0.00 -0.51 0.00 0.00 58.31 54.16 1fi9 n LYS 72 Cb 0.05 -1.65 0.00 0.00 -0.51 0.00 0.00 35.03 32.93 1fi9 n LYS 72 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1fi9 n LYS 73 N -0.21 0.00 -0.20 1.97 0.00 -1.14 -4.81 118.16 113.77 1fi9 n LYS 73 Ca 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 58.31 58.51 1fi9 n LYS 73 Cb 0.75 0.00 0.06 0.00 0.00 0.00 0.00 35.03 35.84 1fi9 n LYS 73 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.40 179.28 1fi9 h TYR 74 N 0.00 -0.31 -1.78 5.64 0.05 -1.89 -3.40 116.97 115.28 1fi9 h TYR 74 Ca 0.00 0.05 -0.05 0.00 0.05 0.00 0.00 58.73 58.78 1fi9 h TYR 74 Cb 0.00 0.23 -0.26 0.00 1.01 0.00 0.00 36.73 37.71 1fi9 h TYR 74 CO 0.00 -0.25 -0.37 -1.50 -1.05 0.00 0.00 178.16 174.99 1fi9 s ILE 75 N -6.23 -0.76 -1.15 -2.88 1.10 -1.26 -5.07 121.20 104.94 1fi9 s ILE 75 Ca -0.14 0.00 -0.19 0.00 -0.51 0.00 0.00 60.65 59.81 1fi9 s ILE 75 Cb 0.19 -0.85 -0.04 0.00 0.15 0.00 0.00 42.46 41.90 1fi9 s ILE 75 CO 0.73 -0.04 1.98 -0.81 -2.11 0.00 0.00 174.94 174.69 1fi9 n PRO 76 N 5.40 2.25 0.00 3.50 -0.04 -1.26 -4.21 135.00 140.63 1fi9 n PRO 76 Ca -0.05 -2.47 0.00 0.00 -0.04 0.00 0.00 63.50 60.94 1fi9 n PRO 76 Cb 0.50 -3.30 0.00 0.00 -0.04 0.00 0.00 33.50 30.66 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 4.82 -1.07 0.00 0.55 0.00 -1.26 -5.12 105.19 103.11 1fi9 n GLY 77 Ca 0.49 0.61 0.00 0.00 0.00 0.00 0.00 46.02 47.12 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 0.00 0.00 0.02 2.61 -1.04 -1.26 -4.86 114.28 109.75 1fi9 n THR 78 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1fi9 n THR 78 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1fi9 n THR 78 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1fi9 n LYS 79 N -0.86 0.00 -1.09 -2.82 4.81 -1.26 -5.04 118.16 111.90 1fi9 n LYS 79 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1fi9 n LYS 79 Cb 0.00 -0.07 0.00 0.00 0.02 0.00 0.00 35.03 34.98 1fi9 n LYS 79 CO 0.00 0.00 0.00 -0.12 1.17 0.00 0.00 177.40 178.45 1fi9 n MET 80 N -2.70 -3.10 0.13 1.64 0.00 -1.26 -5.10 117.12 106.74 1fi9 n MET 80 Ca 0.00 2.28 0.00 0.00 -0.00 0.00 0.00 57.70 59.98 1fi9 n MET 80 Cb 0.00 -2.54 0.00 0.00 0.00 0.00 0.00 33.22 30.68 1fi9 n MET 80 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 175.97 177.48 1fi9 n ILE 81 N -0.53 0.00 -3.97 1.12 3.06 -1.26 -5.16 119.36 112.62 1fi9 n ILE 81 Ca 0.00 0.00 -0.09 0.00 -2.50 0.00 0.00 62.75 60.16 1fi9 n ILE 81 Cb 0.00 -0.20 -0.08 0.00 0.54 0.00 0.00 39.64 39.90 1fi9 n ILE 81 CO 0.00 0.00 0.00 0.72 -2.50 0.00 0.00 176.55 174.77 1fi9 s PHE 82 N -1.69 0.39 0.00 9.51 -0.12 -1.26 -5.10 117.98 119.70 1fi9 s PHE 82 Ca 0.00 -0.80 0.00 0.00 -0.05 0.00 0.00 56.93 56.08 1fi9 s PHE 82 Cb 0.00 -0.17 0.00 0.00 -0.63 0.00 0.00 43.02 42.22 1fi9 s PHE 82 CO 0.00 -0.57 0.94 0.00 -0.05 0.00 0.00 175.22 175.54 1fi9 n ALA 83 N -0.09 -0.15 -3.65 1.99 0.00 -1.26 -4.78 120.51 112.56 1fi9 n ALA 83 Ca -0.11 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.38 1fi9 n ALA 83 Cb 0.63 0.30 0.02 0.00 0.00 0.00 0.00 19.45 20.40 1fi9 n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fi9 n GLY 84 N -0.98 0.86 0.00 0.00 0.00 -1.26 -4.26 105.19 99.54 1fi9 n GLY 84 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.91 1fi9 n GLY 84 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1fi9 n ILE 85 N -0.51 0.00 0.10 -0.61 2.08 -1.25 -4.97 119.36 114.20 1fi9 n ILE 85 Ca -0.02 0.82 0.00 0.00 0.56 0.00 0.00 62.75 64.11 1fi9 n ILE 85 Cb 0.43 -1.79 0.00 0.00 -0.75 0.00 0.00 39.64 37.53 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 -0.34 0.00 0.00 0.38 5.02 -1.26 -5.04 118.16 116.92 1fi9 n LYS 86 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1fi9 n LYS 86 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 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 -3.02 0.00 -0.11 1.97 0.00 -1.26 -5.05 118.16 110.70 1fi9 n LYS 87 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 58.31 58.14 1fi9 n LYS 87 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 35.03 34.94 1fi9 n LYS 87 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1fi9 n LYS 88 N 0.00 0.50 0.02 -1.58 2.85 -1.26 -4.53 118.16 114.16 1fi9 n LYS 88 Ca 0.00 0.14 -0.01 0.00 -1.05 0.00 0.00 58.31 57.40 1fi9 n LYS 88 Cb 0.00 -1.38 -0.00 0.00 -0.65 0.00 0.00 35.03 33.00 1fi9 n LYS 88 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 1fi9 h THR 89 N -0.23 0.00 -0.62 0.58 2.02 -1.98 0.24 112.91 112.91 1fi9 h THR 89 Ca -0.49 0.00 0.11 0.00 0.77 0.00 0.00 66.41 66.80 1fi9 h THR 89 Cb 1.65 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.97 1fi9 h THR 89 CO -0.15 0.00 0.16 -0.33 0.37 0.00 0.00 175.52 175.57 1fi9 h GLU 90 N -0.05 0.30 -0.59 6.66 3.07 -1.98 0.53 114.58 122.51 1fi9 h GLU 90 Ca -0.00 -0.02 0.08 0.00 -0.50 0.00 0.00 59.36 58.92 1fi9 h GLU 90 Cb 0.04 -0.07 -0.06 0.00 -0.84 0.00 0.00 28.75 27.82 1fi9 h GLU 90 CO 0.00 0.20 0.26 -0.09 -1.40 0.00 0.00 179.01 177.98 1fi9 h ARG 91 N 0.30 0.46 0.00 2.33 2.43 -1.75 0.10 114.38 118.25 1fi9 h ARG 91 Ca 0.33 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.47 1fi9 h ARG 91 Cb 0.47 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1fi9 h ARG 91 CO -0.39 0.30 -0.00 1.49 -1.51 0.00 0.00 179.97 179.86 1fi9 h GLU 92 N 0.47 -0.00 -0.72 0.20 4.81 0.71 -1.44 114.58 118.61 1fi9 h GLU 92 Ca 0.29 0.00 0.16 0.00 -0.13 0.00 0.00 59.36 59.68 1fi9 h GLU 92 Cb 0.30 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 29.56 1fi9 h GLU 92 CO -0.25 0.30 0.13 -0.44 -0.73 0.00 0.00 179.01 178.02 1fi9 h ASP 93 N -0.31 -0.08 -0.03 1.04 3.32 -0.66 0.14 116.42 119.83 1fi9 h ASP 93 Ca -0.00 0.15 0.03 0.00 0.02 0.00 0.00 57.03 57.24 1fi9 h ASP 93 Cb 0.31 0.23 -0.06 0.00 0.22 0.00 0.00 39.33 40.03 1fi9 h ASP 93 CO 0.00 -0.07 -0.43 0.25 -1.72 0.00 0.00 179.24 177.26 1fi9 h LEU 94 N 0.22 -1.33 -0.73 1.55 6.46 -0.36 0.03 115.31 121.14 1fi9 h LEU 94 Ca 0.40 0.16 0.15 0.00 -0.12 0.00 0.00 57.88 58.48 1fi9 h LEU 94 Cb 0.69 0.52 -0.10 0.00 -0.73 0.00 0.00 40.66 41.04 1fi9 h LEU 94 CO -0.54 -0.46 0.20 0.40 -0.62 0.00 0.00 178.44 177.43 1fi9 h ILE 95 N -0.57 0.56 -0.32 4.05 5.03 -0.18 -0.05 117.51 126.03 1fi9 h ILE 95 Ca 0.05 -0.10 0.07 0.00 -0.12 0.00 0.00 64.86 64.75 1fi9 h ILE 95 Cb 0.66 0.22 -0.06 0.00 -3.03 0.00 0.00 36.82 34.61 1fi9 h ILE 95 CO -0.34 0.06 -0.10 0.00 -0.68 0.00 0.00 178.15 177.08 1fi9 h ALA 96 N 1.58 0.18 0.68 1.87 0.00 0.11 0.28 119.26 123.96 1fi9 h ALA 96 Ca 0.41 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.41 1fi9 h ALA 96 Cb 0.67 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1fi9 h ALA 96 CO -0.48 -0.49 -0.37 -0.92 0.00 0.00 0.00 179.25 176.99 1fi9 h TYR 97 N -0.03 -0.99 -0.98 0.00 3.20 -0.78 -3.25 116.97 114.13 1fi9 h TYR 97 Ca 0.16 -0.02 0.16 0.00 3.14 0.00 0.00 58.73 62.17 1fi9 h TYR 97 Cb 0.27 0.34 -0.16 0.00 1.54 0.00 0.00 36.73 38.72 1fi9 h TYR 97 CO -0.32 -0.58 -0.35 1.28 -1.64 0.00 0.00 178.16 176.55 1fi9 n LEU 98 N -4.77 -0.58 -0.29 2.82 4.32 -0.07 -0.30 117.00 118.13 1fi9 n LEU 98 Ca -0.12 1.71 -0.04 0.00 -0.02 0.00 0.00 56.01 57.54 1fi9 n LEU 98 Cb 0.39 -0.42 0.01 0.00 -1.62 0.00 0.00 43.42 41.79 1fi9 n LEU 98 CO 0.28 -1.56 0.60 0.11 -1.22 0.00 0.00 177.39 175.61 1fi9 h LYS 99 N 0.00 -0.09 0.59 3.23 1.57 -0.50 0.29 116.57 121.66 1fi9 h LYS 99 Ca 0.37 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 59.13 1fi9 h LYS 99 Cb 0.61 0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.95 1fi9 h LYS 99 CO -0.98 -0.06 -0.28 -0.22 -0.57 0.00 0.00 179.45 177.34 1fi9 h LYS 100 N -0.09 -0.76 -0.41 3.15 1.63 -1.02 -3.14 116.57 115.93 1fi9 h LYS 100 Ca 0.28 0.05 0.08 0.00 -0.85 0.00 0.00 60.65 60.21 1fi9 h LYS 100 Cb 0.57 0.17 -0.09 0.00 -0.60 0.00 0.00 32.23 32.28 1fi9 h LYS 100 CO -0.82 -0.51 -0.25 0.00 -3.45 0.00 0.00 179.45 174.42 1fi9 h ALA 101 N -1.29 -0.01 -0.76 5.00 0.00 0.61 0.42 119.26 123.22 1fi9 h ALA 101 Ca -0.08 0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.01 1fi9 h ALA 101 Cb 0.60 0.58 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 1fi9 h ALA 101 CO 0.13 -0.63 0.47 1.79 0.00 0.00 0.00 179.25 181.01 1fi9 h THR 102 N -0.18 1.06 0.34 0.00 1.35 -0.65 -2.78 112.91 112.05 1fi9 h THR 102 Ca 0.19 -0.30 -0.02 0.00 -0.55 0.00 0.00 66.41 65.73 1fi9 h THR 102 Cb 0.48 0.10 0.00 0.00 -1.73 0.00 0.00 68.15 67.00 1fi9 h THR 102 CO -0.51 0.16 -0.16 -1.13 -0.25 0.00 0.00 175.52 173.62 1fi9 h ASN 103 N 0.88 -0.39 0.00 5.36 -0.73 -0.30 0.31 115.58 120.72 1fi9 h ASN 103 Ca 0.32 -0.04 0.00 0.00 1.87 0.00 0.00 56.30 58.45 1fi9 h ASN 103 Cb 0.10 0.10 0.00 0.00 0.27 0.00 0.00 38.32 38.79 1fi9 h ASN 103 CO -0.15 -0.21 0.00 -0.62 -0.37 0.00 0.00 177.43 176.09