#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 6.76 0.16 1.61 2.15 -1.26 -4.66 116.67 121.42 1fi9 s ASP 2 Ca 0.00 2.27 -0.12 0.00 0.43 0.00 0.00 52.55 55.12 1fi9 s ASP 2 Cb 0.00 -2.56 0.05 0.00 -0.30 0.00 0.00 42.92 40.11 1fi9 s ASP 2 CO 0.00 -0.78 1.69 0.58 -0.17 0.00 0.00 175.17 176.50 1fi9 h VAL 3 N 4.82 1.23 0.68 1.11 2.07 -1.84 0.13 116.25 124.45 1fi9 h VAL 3 Ca -0.40 -0.78 -0.03 0.00 0.82 0.00 0.00 66.70 66.31 1fi9 h VAL 3 Cb 1.19 0.71 0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1fi9 h VAL 3 CO 0.91 0.29 -0.33 -0.33 0.02 0.00 0.00 177.57 178.13 1fi9 h GLU 4 N 0.76 -0.88 -0.78 1.57 4.39 -1.92 0.12 114.58 117.85 1fi9 h GLU 4 Ca 0.18 0.06 0.10 0.00 0.34 0.00 0.00 59.36 60.03 1fi9 h GLU 4 Cb 0.27 0.20 -0.07 0.00 -0.10 0.00 0.00 28.75 29.05 1fi9 h GLU 4 CO -0.01 -0.57 0.42 0.87 -1.16 0.00 0.00 179.01 178.57 1fi9 h LYS 5 N -1.19 0.69 -0.66 2.33 1.57 -1.93 -0.99 116.57 116.39 1fi9 h LYS 5 Ca -0.09 -0.04 0.14 0.00 -1.87 0.00 0.00 60.65 58.78 1fi9 h LYS 5 Cb 0.72 -0.15 -0.11 0.00 0.08 0.00 0.00 32.23 32.77 1fi9 h LYS 5 CO 0.15 0.45 0.06 0.78 -0.57 0.00 0.00 179.45 180.33 1fi9 h GLY 6 N 0.71 0.78 0.77 3.86 0.00 -0.48 0.36 103.07 109.07 1fi9 h GLY 6 Ca 0.38 0.04 0.01 0.00 0.00 0.00 0.00 47.33 47.76 1fi9 h GLY 6 CO -0.26 -0.20 -0.15 1.70 0.00 0.00 0.00 176.54 177.63 1fi9 h LYS 7 N 0.17 -0.31 -0.52 4.80 3.64 0.55 -0.39 116.57 124.51 1fi9 h LYS 7 Ca 0.35 0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.63 1fi9 h LYS 7 Cb 0.58 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.46 1fi9 h LYS 7 CO -0.52 -0.20 -0.14 0.87 -2.27 0.00 0.00 179.45 177.18 1fi9 h LYS 8 N -0.32 1.02 0.20 1.90 1.79 -0.53 -2.53 116.57 118.11 1fi9 h LYS 8 Ca 0.01 -0.40 0.01 0.00 -2.18 0.00 0.00 60.65 58.10 1fi9 h LYS 8 Cb 0.32 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 30.88 1fi9 h LYS 8 CO -0.06 1.08 -0.34 0.82 -1.08 0.00 0.00 179.45 179.87 1fi9 h ILE 9 N 0.89 0.28 -0.82 1.86 2.04 -0.07 0.49 117.51 122.19 1fi9 h ILE 9 Ca 0.13 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.19 1fi9 h ILE 9 Cb 0.72 0.28 -0.14 0.00 -0.74 0.00 0.00 36.82 36.94 1fi9 h ILE 9 CO 0.05 0.00 0.11 0.15 0.00 0.00 0.00 178.15 178.47 1fi9 h PHE 10 N -0.62 0.13 0.00 1.37 3.57 -0.94 0.41 116.94 120.86 1fi9 h PHE 10 Ca 0.01 0.05 -0.08 0.00 3.53 0.00 0.00 57.97 61.49 1fi9 h PHE 10 Cb 0.62 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.42 1fi9 h PHE 10 CO -0.27 -0.23 -0.36 0.28 -2.23 0.00 0.00 178.31 175.51 1fi9 h VAL 11 N 0.15 0.76 -0.01 1.41 2.07 -0.81 0.19 116.25 120.01 1fi9 h VAL 11 Ca 0.48 -1.59 0.00 0.00 0.82 0.00 0.00 66.70 66.40 1fi9 h VAL 11 Cb 0.90 2.03 0.00 0.00 -1.52 0.00 0.00 31.29 32.70 1fi9 h VAL 11 CO -0.67 0.35 -0.58 0.00 0.02 0.00 0.00 177.57 176.70 1fi9 n GLN 12 N -3.39 0.95 -0.02 1.57 1.13 0.16 -4.28 117.38 113.50 1fi9 n GLN 12 Ca 0.01 -0.78 -0.04 0.00 -1.94 0.00 0.00 57.00 54.25 1fi9 n GLN 12 Cb 0.55 -1.48 -0.02 0.00 0.11 0.00 0.00 30.24 29.40 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 -0.35 0.10 0.00 -1.09 4.01 0.12 -5.01 118.16 115.95 1fi9 n LYS 13 Ca 0.08 0.04 -0.00 0.00 -0.51 0.00 0.00 58.31 57.92 1fi9 n LYS 13 Cb 0.44 -0.84 -0.00 0.00 -0.51 0.00 0.00 35.03 34.12 1fi9 n LYS 13 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1fi9 n ALA 15 N -2.57 0.00 -0.45 0.00 0.00 -0.06 -2.75 120.51 114.68 1fi9 n ALA 15 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.42 1fi9 n ALA 15 Cb 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.44 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 0.90 0.00 0.00 3.00 -1.26 -2.74 117.38 117.28 1fi9 n GLN 16 Ca 0.00 -0.12 0.00 0.00 -0.01 0.00 0.00 57.00 56.87 1fi9 n GLN 16 Cb 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 30.24 29.00 1fi9 n GLN 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1fi9 s HIS 18 N -1.98 2.50 0.18 0.00 3.76 -1.11 -1.85 115.29 116.79 1fi9 s HIS 18 Ca 0.00 -0.54 0.00 0.00 -0.15 0.00 0.00 55.06 54.37 1fi9 s HIS 18 Cb 0.00 -2.16 0.00 0.00 1.11 0.00 0.00 32.58 31.53 1fi9 s HIS 18 CO 0.00 -0.25 0.00 2.41 -0.85 0.00 0.00 174.74 176.05 1fi9 n THR 19 N -1.64 0.60 -2.11 1.30 -1.04 -1.26 -4.58 114.28 105.55 1fi9 n THR 19 Ca 0.04 0.20 -0.13 0.00 -2.04 0.00 0.00 64.05 62.12 1fi9 n THR 19 Cb 0.62 -1.07 -0.01 0.00 -1.82 0.00 0.00 70.33 68.04 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 -3.44 -0.52 -4.18 12.58 0.24 -1.26 -4.86 118.33 116.87 1fi9 n VAL 20 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.19 1fi9 n VAL 20 Cb 0.02 -1.97 -0.10 0.00 -1.47 0.00 0.00 33.84 30.32 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 -4.40 0.99 0.41 7.34 2.02 -1.26 -3.70 118.70 120.09 1fi9 s GLU 21 Ca 0.00 -1.47 0.26 0.00 0.02 0.00 0.00 54.97 53.78 1fi9 s GLU 21 Cb 0.00 0.02 1.41 0.00 0.10 0.00 0.00 34.13 35.67 1fi9 s GLU 21 CO 0.00 -0.20 1.78 1.57 0.02 0.00 0.00 175.26 178.44 1fi9 h LYS 22 N 2.81 0.00 0.11 1.61 5.09 -1.91 -2.54 116.57 121.73 1fi9 h LYS 22 Ca -0.36 0.00 0.02 0.00 0.09 0.00 0.00 60.65 60.40 1fi9 h LYS 22 Cb 1.20 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 33.50 1fi9 h LYS 22 CO 0.61 0.00 -0.23 0.78 -2.09 0.00 0.00 179.45 178.52 1fi9 h GLY 23 N 0.00 -0.42 -3.29 0.07 0.00 -1.98 -3.49 103.07 93.96 1fi9 h GLY 23 Ca 0.00 0.27 0.16 0.00 0.00 0.00 0.00 47.33 47.76 1fi9 h GLY 23 CO 0.00 -0.20 -1.03 0.61 0.00 0.00 0.00 176.54 175.92 1fi9 n GLY 24 N -1.35 -3.65 3.61 4.60 0.00 -0.96 -5.09 105.19 102.35 1fi9 n GLY 24 Ca -0.06 -0.99 -0.09 0.00 0.00 0.00 0.00 46.02 44.88 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 -4.74 0.47 -0.10 1.61 1.02 -1.26 -5.07 119.74 111.68 1fi9 s LYS 25 Ca 0.00 0.27 -0.07 0.00 0.02 0.00 0.00 55.97 56.19 1fi9 s LYS 25 Cb 0.00 0.23 -0.06 0.00 -0.52 0.00 0.00 37.83 37.48 1fi9 s LYS 25 CO 0.00 -0.12 0.22 0.45 -0.92 0.00 0.00 175.35 174.99 1fi9 h HIS 26 N 3.09 -0.05 0.00 3.18 3.86 -1.97 -3.30 115.15 119.96 1fi9 h HIS 26 Ca -0.21 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.00 1fi9 h HIS 26 Cb 1.17 0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.66 1fi9 h HIS 26 CO 0.29 0.14 0.00 0.36 0.86 0.00 0.00 177.93 179.58 1fi9 n LYS 27 N -4.79 0.00 -0.02 2.45 2.85 -1.26 -4.25 118.16 113.14 1fi9 n LYS 27 Ca -0.03 0.00 -0.01 0.00 -1.05 0.00 0.00 58.31 57.22 1fi9 n LYS 27 Cb 0.11 0.00 -0.00 0.00 -0.65 0.00 0.00 35.03 34.48 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 -3.35 0.58 2.02 -1.88 -3.47 112.91 106.81 1fi9 h THR 28 Ca 0.00 -0.33 -0.52 0.00 0.77 0.00 0.00 66.41 66.33 1fi9 h THR 28 Cb 0.00 0.00 0.03 0.00 -1.74 0.00 0.00 68.15 66.44 1fi9 h THR 28 CO 0.00 0.00 0.64 -0.83 0.37 0.00 0.00 175.52 175.70 1fi9 s GLY 29 N -3.03 2.44 0.56 2.16 0.00 -0.77 -4.99 107.32 103.69 1fi9 s GLY 29 Ca -0.04 1.07 -0.19 0.00 0.00 0.00 0.00 44.72 45.55 1fi9 s GLY 29 CO 0.07 2.06 1.14 2.56 0.00 0.00 0.00 173.10 178.92 1fi9 s PRO 30 N 0.05 3.24 -0.45 2.90 0.04 -1.26 -4.46 135.00 135.06 1fi9 s PRO 30 Ca 0.57 1.62 -0.27 0.00 0.04 0.00 0.00 61.00 62.96 1fi9 s PRO 30 Cb -0.35 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.14 1fi9 s PRO 30 CO 0.37 -0.94 2.22 1.21 0.04 0.00 0.00 177.00 179.90 1fi9 s ASN 31 N -1.83 4.90 -0.04 6.66 2.47 -1.24 -4.42 114.94 121.44 1fi9 s ASN 31 Ca 0.73 1.11 -0.01 0.00 0.42 0.00 0.00 52.86 55.11 1fi9 s ASN 31 Cb -0.24 -2.51 0.01 0.00 -1.45 0.00 0.00 41.25 37.06 1fi9 s ASN 31 CO 0.29 -2.52 2.11 0.18 -3.72 0.00 0.00 177.10 173.45 1fi9 n LEU 32 N 14.08 5.49 -4.67 3.21 4.77 -1.26 -4.68 117.00 133.94 1fi9 n LEU 32 Ca 0.31 -2.58 -0.43 0.00 -0.03 0.00 0.00 56.01 53.28 1fi9 n LEU 32 Cb 0.52 -1.14 -0.02 0.00 -2.33 0.00 0.00 43.42 40.44 1fi9 n LEU 32 CO 0.70 1.09 1.08 -2.28 -1.33 0.00 0.00 177.39 176.64 1fi9 s HIS 33 N -0.17 2.87 -0.90 -1.77 2.46 -1.26 -2.15 115.29 114.35 1fi9 s HIS 33 Ca 0.09 0.97 -0.02 0.00 0.47 0.00 0.00 55.06 56.57 1fi9 s HIS 33 Cb 0.05 -3.53 0.00 0.00 -0.13 0.00 0.00 32.58 28.97 1fi9 s HIS 33 CO -0.00 -1.86 0.29 0.41 -2.47 0.00 0.00 174.74 171.12 1fi9 n GLY 34 N 3.59 -0.02 0.37 1.59 0.00 0.11 -4.97 105.19 105.86 1fi9 n GLY 34 Ca 0.13 -0.28 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.67 -1.21 -9.03 0.99 5.85 -1.67 -3.39 115.31 106.18 1fi9 h LEU 35 Ca -0.30 0.13 -0.57 0.00 0.84 0.00 0.00 57.88 57.98 1fi9 h LEU 35 Cb 1.21 0.44 -0.02 0.00 0.37 0.00 0.00 40.66 42.67 1fi9 h LEU 35 CO 0.32 -0.43 1.25 -0.36 -0.34 0.00 0.00 178.44 178.89 1fi9 s PHE 36 N -5.10 1.73 0.00 1.25 0.08 -1.26 -2.42 117.98 112.26 1fi9 s PHE 36 Ca -0.12 0.43 0.00 0.00 0.12 0.00 0.00 56.93 57.35 1fi9 s PHE 36 Cb 0.04 -4.04 0.00 0.00 -0.57 0.00 0.00 43.02 38.46 1fi9 s PHE 36 CO 0.46 -3.53 0.00 0.41 -0.10 0.00 0.00 175.22 172.46 1fi9 n GLY 37 N 5.05 0.99 3.34 4.36 0.00 -0.03 -4.92 105.19 113.99 1fi9 n GLY 37 Ca 0.22 -0.04 -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 -0.31 0.90 0.62 1.61 3.52 -1.01 -5.02 118.95 119.26 1fi9 s ARG 38 Ca 0.00 -0.21 -0.06 0.00 -0.13 0.00 0.00 55.73 55.33 1fi9 s ARG 38 Cb 0.00 0.41 0.02 0.00 -1.56 0.00 0.00 34.95 33.82 1fi9 s ARG 38 CO 0.00 -0.30 0.92 0.15 -0.81 0.00 0.00 175.30 175.27 1fi9 s LYS 39 N -2.03 2.70 0.30 5.12 1.02 -1.26 -1.10 119.74 124.49 1fi9 s LYS 39 Ca -0.08 -0.12 -0.04 0.00 0.02 0.00 0.00 55.97 55.75 1fi9 s LYS 39 Cb -0.02 -2.26 0.07 0.00 -0.52 0.00 0.00 37.83 35.10 1fi9 s LYS 39 CO 0.01 -0.85 0.41 0.25 -0.92 0.00 0.00 175.35 174.25 1fi9 n THR 40 N -2.66 0.00 -2.99 2.17 -2.24 -0.47 -4.50 114.28 103.60 1fi9 n THR 40 Ca 0.06 -0.38 -0.19 0.00 -2.27 0.00 0.00 64.05 61.26 1fi9 n THR 40 Cb 0.58 -1.65 0.00 0.00 -2.10 0.00 0.00 70.33 67.17 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 2.24 -0.50 2.86 3.38 0.00 -1.20 -4.86 105.19 107.11 1fi9 n GLY 41 Ca 0.05 0.07 -0.12 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 -5.62 0.29 -0.08 1.61 -1.52 -1.26 -4.93 119.66 108.15 1fi9 s GLN 42 Ca 0.24 0.43 -0.13 0.00 -1.95 0.00 0.00 55.36 53.96 1fi9 s GLN 42 Cb -0.12 -0.71 0.03 0.00 -0.22 0.00 0.00 33.01 31.98 1fi9 s GLN 42 CO 0.30 -0.64 0.33 0.00 -0.25 0.00 0.00 175.29 175.03 1fi9 s ALA 43 N 2.47 -0.81 -1.00 6.09 0.00 -1.26 -5.03 121.76 122.22 1fi9 s ALA 43 Ca 0.11 0.70 -0.23 0.00 0.00 0.00 0.00 51.96 52.53 1fi9 s ALA 43 Cb -0.15 -0.30 0.01 0.00 0.00 0.00 0.00 23.12 22.67 1fi9 s ALA 43 CO -0.14 -0.20 1.69 -1.25 0.00 0.00 0.00 175.76 175.85 1fi9 s PRO 44 N -0.43 3.16 -1.24 0.00 0.04 -1.26 -4.12 135.00 131.16 1fi9 s PRO 44 Ca -0.05 -0.86 -0.03 0.00 0.04 0.00 0.00 61.00 60.10 1fi9 s PRO 44 Cb -0.04 -5.25 -0.01 0.00 0.04 0.00 0.00 34.50 29.24 1fi9 s PRO 44 CO 0.02 -2.76 0.80 0.41 0.04 0.00 0.00 177.00 175.51 1fi9 n GLY 45 N 6.72 -0.48 3.54 0.56 0.00 -1.26 -4.99 105.19 109.28 1fi9 n GLY 45 Ca 0.37 0.21 -0.24 0.00 0.00 0.00 0.00 46.02 46.36 1fi9 n GLY 45 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1fi9 s PHE 46 N -3.55 2.48 -1.22 1.61 5.36 -1.26 -5.05 117.98 116.35 1fi9 s PHE 46 Ca 0.10 -0.28 -0.19 0.00 -0.96 0.00 0.00 56.93 55.60 1fi9 s PHE 46 Cb -0.02 -1.12 -0.01 0.00 -0.34 0.00 0.00 43.02 41.53 1fi9 s PHE 46 CO 0.79 0.63 1.92 2.41 -1.46 0.00 0.00 175.22 179.51 1fi9 n THR 47 N -0.53 3.00 -1.77 0.12 -1.04 -1.26 -4.96 114.28 107.85 1fi9 n THR 47 Ca -0.07 -2.96 -0.30 0.00 -2.04 0.00 0.00 64.05 58.69 1fi9 n THR 47 Cb 0.59 -2.35 0.16 0.00 -1.82 0.00 0.00 70.33 66.91 1fi9 n THR 47 CO 0.00 0.00 0.00 -0.72 -0.64 0.00 0.00 175.07 173.71 1fi9 s TYR 48 N 5.86 1.89 0.28 -1.42 -0.85 -1.26 -5.08 117.35 116.77 1fi9 s TYR 48 Ca 0.57 0.51 -0.00 0.00 -0.52 0.00 0.00 57.07 57.62 1fi9 s TYR 48 Cb 0.07 -3.80 -0.02 0.00 0.38 0.00 0.00 41.96 38.58 1fi9 s TYR 48 CO 0.06 -2.57 0.29 0.95 -1.52 0.00 0.00 175.55 172.77 1fi9 s THR 49 N -3.63 0.00 0.10 -3.49 -4.23 -1.26 -5.04 115.64 98.08 1fi9 s THR 49 Ca 0.70 -1.84 -0.35 0.00 -1.18 0.00 0.00 61.69 59.02 1fi9 s THR 49 Cb -0.08 -2.50 -0.15 0.00 1.34 0.00 0.00 72.50 71.12 1fi9 s THR 49 CO 0.52 0.00 1.55 0.44 -0.54 0.00 0.00 174.62 176.59 1fi9 h ASP 50 N 2.31 -1.56 -0.90 3.99 5.19 -1.99 -2.08 116.42 121.38 1fi9 h ASP 50 Ca -0.30 0.16 0.17 0.00 -0.62 0.00 0.00 57.03 56.44 1fi9 h ASP 50 Cb 1.24 0.57 -0.17 0.00 0.18 0.00 0.00 39.33 41.16 1fi9 h ASP 50 CO 0.43 -0.57 -0.27 0.00 -3.12 0.00 0.00 179.24 175.71 1fi9 h ALA 51 N -0.60 0.46 0.00 3.45 0.00 -1.98 0.33 119.26 120.93 1fi9 h ALA 51 Ca -0.01 0.32 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 1fi9 h ALA 51 Cb 0.77 0.76 -0.00 0.00 0.00 0.00 0.00 17.79 19.32 1fi9 h ALA 51 CO -0.26 -0.46 -0.01 -1.71 0.00 0.00 0.00 179.25 176.81 1fi9 n ASN 52 N -5.55 5.08 0.17 0.00 4.05 -0.78 -2.55 115.26 115.68 1fi9 n ASN 52 Ca 0.12 -2.34 0.00 0.00 0.45 0.00 0.00 54.58 52.81 1fi9 n ASN 52 Cb 0.44 -1.08 0.00 0.00 1.23 0.00 0.00 39.78 40.37 1fi9 n ASN 52 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 177.26 175.38 1fi9 n LYS 53 N 1.55 0.00 0.08 1.20 0.00 -0.19 -3.23 118.16 117.57 1fi9 n LYS 53 Ca 0.01 0.00 0.19 0.00 0.00 0.00 0.00 58.31 58.51 1fi9 n LYS 53 Cb 0.49 0.00 0.74 0.00 0.00 0.00 0.00 35.03 36.26 1fi9 n LYS 53 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.40 176.43 1fi9 h ASN 54 N 0.00 0.00 -0.11 3.14 -0.73 -0.46 -2.88 115.58 114.54 1fi9 h ASN 54 Ca 0.00 0.00 0.03 0.00 1.87 0.00 0.00 56.30 58.20 1fi9 h ASN 54 Cb 0.00 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.56 1fi9 h ASN 54 CO 0.00 0.00 -0.08 0.50 -0.37 0.00 0.00 177.43 177.48 1fi9 h LYS 55 N 0.00 -0.08 -6.38 6.67 3.64 -1.70 -3.47 116.57 115.25 1fi9 h LYS 55 Ca 0.19 0.01 -0.47 0.00 -1.27 0.00 0.00 60.65 59.11 1fi9 h LYS 55 Cb 0.89 0.02 0.03 0.00 -0.41 0.00 0.00 32.23 32.76 1fi9 h LYS 55 CO -0.00 -0.06 -0.93 0.41 -2.27 0.00 0.00 179.45 176.60 1fi9 n GLY 56 N -1.22 -0.72 0.00 5.01 0.00 -1.09 -5.01 105.19 102.16 1fi9 n GLY 56 Ca -0.04 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 -4.34 0.00 -4.88 -0.61 -6.64 -1.26 -4.94 119.36 96.70 1fi9 n ILE 57 Ca -0.17 0.00 -0.25 0.00 -1.77 0.00 0.00 62.75 60.56 1fi9 n ILE 57 Cb 0.62 0.00 -0.15 0.00 -1.44 0.00 0.00 39.64 38.67 1fi9 n ILE 57 CO 0.00 0.00 0.00 -0.89 -1.77 0.00 0.00 176.55 173.89 1fi9 s THR 58 N -1.28 1.43 0.08 7.28 2.01 -1.26 -1.36 115.64 122.54 1fi9 s THR 58 Ca 0.00 -0.77 -0.07 0.00 0.31 0.00 0.00 61.69 61.16 1fi9 s THR 58 Cb 0.00 -1.19 -0.05 0.00 0.01 0.00 0.00 72.50 71.26 1fi9 s THR 58 CO 0.00 0.41 0.35 0.26 -0.69 0.00 0.00 174.62 174.94 1fi9 s TRP 59 N -0.41 3.54 0.21 4.92 0.52 -0.26 -4.71 118.94 122.75 1fi9 s TRP 59 Ca 0.07 0.62 0.00 0.00 0.02 0.00 0.00 56.10 56.81 1fi9 s TRP 59 Cb -0.07 -2.04 0.00 0.00 -1.15 0.00 0.00 33.47 30.21 1fi9 s TRP 59 CO -0.01 0.52 0.00 0.36 0.02 0.00 0.00 176.95 177.84 1fi9 n LYS 60 N 0.66 0.00 0.00 4.98 2.85 -1.26 -0.85 118.16 124.54 1fi9 n LYS 60 Ca -0.07 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.19 1fi9 n LYS 60 Cb 0.52 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.90 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 -2.97 0.00 -0.07 -1.58 0.28 -1.26 -4.79 120.64 110.24 1fi9 n GLU 61 Ca 0.00 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 56.90 1fi9 n GLU 61 Cb 0.00 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 32.84 1fi9 n GLU 61 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 1fi9 h GLU 62 N 0.00 0.35 0.29 3.44 4.81 -1.97 0.29 114.58 121.79 1fi9 h GLU 62 Ca 0.00 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1fi9 h GLU 62 Cb 0.00 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.32 1fi9 h GLU 62 CO 0.00 0.36 -0.14 1.79 -0.73 0.00 0.00 179.01 180.29 1fi9 h THR 63 N 0.25 0.74 -0.65 0.32 1.35 -1.95 -2.83 112.91 110.15 1fi9 h THR 63 Ca 0.08 -0.25 0.02 0.00 -0.55 0.00 0.00 66.41 65.72 1fi9 h THR 63 Cb 0.13 0.88 -0.03 0.00 -1.73 0.00 0.00 68.15 67.39 1fi9 h THR 63 CO -0.01 0.05 0.43 0.17 -0.25 0.00 0.00 175.52 175.91 1fi9 h LEU 64 N -0.52 0.69 -0.81 3.87 -0.00 -1.87 -1.79 115.31 114.88 1fi9 h LEU 64 Ca -0.04 -0.01 0.19 0.00 -0.00 0.00 0.00 57.88 58.02 1fi9 h LEU 64 Cb 0.39 -0.16 -0.12 0.00 -0.00 0.00 0.00 40.66 40.76 1fi9 h LEU 64 CO 0.07 0.48 0.20 0.24 -0.00 0.00 0.00 178.44 179.43 1fi9 h MET 65 N 0.80 0.24 0.01 0.17 2.86 -0.15 0.20 114.93 119.07 1fi9 h MET 65 Ca 0.25 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.88 1fi9 h MET 65 Cb 0.02 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.62 1fi9 h MET 65 CO -0.07 0.16 -0.00 0.93 1.06 0.00 0.00 176.91 178.99 1fi9 h GLU 66 N 0.25 -0.01 -0.77 1.72 5.08 -1.47 -2.55 114.58 116.83 1fi9 h GLU 66 Ca 0.48 0.00 0.17 0.00 -1.00 0.00 0.00 59.36 59.01 1fi9 h GLU 66 Cb 0.88 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.01 1fi9 h GLU 66 CO -0.58 0.82 0.18 -0.92 -1.00 0.00 0.00 179.01 177.52 1fi9 h TYR 67 N -0.95 0.28 -0.08 4.33 3.20 -0.61 0.16 116.97 123.30 1fi9 h TYR 67 Ca -0.00 0.04 -0.12 0.00 3.14 0.00 0.00 58.73 61.80 1fi9 h TYR 67 Cb 0.83 -0.00 0.01 0.00 1.54 0.00 0.00 36.73 39.10 1fi9 h TYR 67 CO 0.23 -0.11 -0.41 -0.07 -1.64 0.00 0.00 178.16 176.16 1fi9 h LEU 68 N 0.26 0.49 -3.34 2.82 3.38 -0.77 -2.22 115.31 115.92 1fi9 h LEU 68 Ca 0.44 -0.66 -0.33 0.00 0.09 0.00 0.00 57.88 57.43 1fi9 h LEU 68 Cb 0.78 -0.14 -0.16 0.00 0.09 0.00 0.00 40.66 41.23 1fi9 h LEU 68 CO -0.54 1.06 0.43 -0.62 0.09 0.00 0.00 178.44 178.86 1fi9 n GLU 69 N -4.34 1.81 0.00 1.13 -0.58 -0.29 -4.15 120.64 114.22 1fi9 n GLU 69 Ca -0.08 -1.72 0.00 0.00 -0.42 0.00 0.00 57.16 54.94 1fi9 n GLU 69 Cb 0.55 -1.67 0.00 0.00 -0.57 0.00 0.00 31.44 29.75 1fi9 n GLU 69 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1fi9 n ASN 70 N -0.07 0.00 0.13 1.62 3.02 0.39 -4.90 115.26 115.46 1fi9 n ASN 70 Ca 0.33 0.00 -0.14 0.00 -0.03 0.00 0.00 54.58 54.75 1fi9 n ASN 70 Cb 0.83 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.92 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 -0.27 -1.99 3.52 0.13 -1.56 -3.21 132.00 128.62 1fi9 h PRO 71 Ca 0.00 0.02 -0.19 0.00 -0.87 0.00 0.00 66.00 64.96 1fi9 h PRO 71 Cb 0.00 0.06 -0.07 0.00 0.13 0.00 0.00 31.00 31.12 1fi9 h PRO 71 CO 0.00 -0.09 -0.26 0.36 -0.23 0.00 0.00 178.00 177.78 1fi9 n LYS 72 N -5.16 1.88 0.11 0.86 0.00 -1.26 -3.63 118.16 110.97 1fi9 n LYS 72 Ca -0.09 -0.97 0.00 0.00 -0.00 0.00 0.00 58.31 57.25 1fi9 n LYS 72 Cb 0.17 -1.86 0.00 0.00 -0.00 0.00 0.00 35.03 33.34 1fi9 n LYS 72 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1fi9 n LYS 73 N 2.20 0.00 -0.03 -1.58 3.00 -1.21 -4.91 118.16 115.63 1fi9 n LYS 73 Ca 0.37 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.54 1fi9 n LYS 73 Cb 0.83 -0.15 -0.10 0.00 0.00 0.00 0.00 35.03 35.61 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 0.21 -3.18 5.64 0.05 -1.70 -3.44 116.97 114.54 1fi9 h TYR 74 Ca 0.00 -0.08 -0.67 0.00 0.05 0.00 0.00 58.73 58.03 1fi9 h TYR 74 Cb 0.01 -0.04 -0.14 0.00 1.01 0.00 0.00 36.73 37.58 1fi9 h TYR 74 CO 0.00 0.72 -0.59 0.96 -1.05 0.00 0.00 178.16 178.20 1fi9 s ILE 75 N -3.85 4.59 -2.08 -2.88 -4.36 -1.25 -5.02 121.20 106.35 1fi9 s ILE 75 Ca -0.15 -0.14 0.13 0.00 -0.26 0.00 0.00 60.65 60.23 1fi9 s ILE 75 Cb 0.02 -2.97 0.33 0.00 1.25 0.00 0.00 42.46 41.09 1fi9 s ILE 75 CO 0.72 0.58 1.34 -0.81 0.24 0.00 0.00 174.94 177.02 1fi9 n PRO 76 N 2.35 1.61 0.00 0.37 -0.04 -1.26 -4.57 135.00 133.47 1fi9 n PRO 76 Ca -0.19 -0.94 0.00 0.00 -0.04 0.00 0.00 63.50 62.33 1fi9 n PRO 76 Cb 0.54 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.72 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 0.98 0.03 4.67 0.55 0.00 -1.26 -5.06 105.19 105.10 1fi9 n GLY 77 Ca 0.12 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.67 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 0.00 2.61 -1.04 -1.26 -2.66 114.28 111.93 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 2.29 -0.64 0.00 0.00 175.07 176.72 1fi9 n LYS 79 N 0.00 0.00 -2.46 -2.82 0.00 -1.26 -5.10 118.16 106.52 1fi9 n LYS 79 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 58.16 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 0.00 0.00 0.00 0.00 177.40 177.40 1fi9 n MET 80 N 0.00 -0.77 0.00 -1.58 0.00 -1.09 -4.94 117.12 108.74 1fi9 n MET 80 Ca 0.00 0.73 0.00 0.00 0.00 0.00 0.00 57.70 58.43 1fi9 n MET 80 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 33.22 32.22 1fi9 n MET 80 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 175.97 176.41 1fi9 n ILE 81 N 0.38 0.00 -1.13 3.17 -5.35 -1.26 -4.97 119.36 110.19 1fi9 n ILE 81 Ca -0.03 0.00 -0.36 0.00 -0.27 0.00 0.00 62.75 62.09 1fi9 n ILE 81 Cb 0.39 -1.37 0.07 0.00 -1.74 0.00 0.00 39.64 36.99 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 -0.23 -1.78 -0.26 4.28 1.16 -1.26 -4.86 117.46 114.51 1fi9 n PHE 82 Ca 0.00 0.29 -0.07 0.00 -1.87 0.00 0.00 57.45 55.80 1fi9 n PHE 82 Cb 0.00 -1.80 -0.06 0.00 -1.61 0.00 0.00 39.48 36.01 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 -2.53 -0.40 0.00 1.98 0.00 -1.26 -4.88 120.51 113.42 1fi9 n ALA 83 Ca 0.07 0.53 0.00 0.00 0.00 0.00 0.00 53.44 54.05 1fi9 n ALA 83 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 -1.16 -1.21 3.84 0.00 0.00 -1.26 -4.71 105.19 100.69 1fi9 n GLY 84 Ca 0.01 -0.85 -0.29 0.00 0.00 0.00 0.00 46.02 44.89 1fi9 n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fi9 s ILE 85 N -2.79 2.53 0.18 -0.61 1.01 -1.26 -4.99 121.20 115.27 1fi9 s ILE 85 Ca 0.00 0.17 -0.21 0.00 0.00 0.00 0.00 60.65 60.62 1fi9 s ILE 85 Cb 0.00 -3.04 0.12 0.00 0.01 0.00 0.00 42.46 39.55 1fi9 s ILE 85 CO 0.00 -0.22 1.59 0.11 0.00 0.00 0.00 174.94 176.42 1fi9 h LYS 86 N -1.11 -0.16 0.00 2.79 1.57 -2.02 -3.46 116.57 114.18 1fi9 h LYS 86 Ca -0.47 0.01 0.12 0.00 -1.87 0.00 0.00 60.65 58.44 1fi9 h LYS 86 Cb 1.30 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.63 1fi9 h LYS 86 CO 0.63 -0.11 0.52 0.36 -0.57 0.00 0.00 179.45 180.28 1fi9 n LYS 87 N -5.43 0.71 -0.21 3.15 2.85 -1.26 -5.05 118.16 112.92 1fi9 n LYS 87 Ca 0.04 -1.57 0.02 0.00 -1.05 0.00 0.00 58.31 55.75 1fi9 n LYS 87 Cb 0.35 2.08 0.27 0.00 -0.65 0.00 0.00 35.03 37.08 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 0.92 -0.17 -1.58 3.64 -1.99 -2.02 116.57 115.38 1fi9 h LYS 88 Ca -0.28 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.08 1fi9 h LYS 88 Cb 1.17 -0.21 -0.05 0.00 -0.41 0.00 0.00 32.23 32.73 1fi9 h LYS 88 CO 0.37 0.61 -0.39 1.15 -2.27 0.00 0.00 179.45 178.92 1fi9 h THR 89 N 0.95 0.00 -0.60 1.00 2.02 -1.99 0.22 112.91 114.52 1fi9 h THR 89 Ca 0.29 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.53 1fi9 h THR 89 Cb -0.01 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.35 1fi9 h THR 89 CO -0.08 0.00 0.30 -0.33 0.37 0.00 0.00 175.52 175.78 1fi9 h GLU 90 N -0.36 0.54 -0.88 6.66 4.39 -1.89 0.36 114.58 123.40 1fi9 h GLU 90 Ca 0.03 -0.03 0.09 0.00 0.34 0.00 0.00 59.36 59.79 1fi9 h GLU 90 Cb 0.46 -0.12 -0.07 0.00 -0.10 0.00 0.00 28.75 28.91 1fi9 h GLU 90 CO -0.35 0.36 0.53 -0.09 -1.16 0.00 0.00 179.01 178.30 1fi9 h ARG 91 N 0.56 0.89 0.00 2.33 9.65 -0.63 -0.59 114.38 126.59 1fi9 h ARG 91 Ca 0.27 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 59.10 1fi9 h ARG 91 Cb 0.21 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 28.59 1fi9 h ARG 91 CO -0.20 0.59 -0.00 1.49 2.80 0.00 0.00 179.97 184.64 1fi9 h GLU 92 N 0.92 -0.01 -0.80 0.20 4.22 0.63 -2.31 114.58 117.43 1fi9 h GLU 92 Ca 0.41 0.00 0.19 0.00 0.08 0.00 0.00 59.36 60.04 1fi9 h GLU 92 Cb 0.30 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.42 1fi9 h GLU 92 CO -0.22 0.44 0.02 -0.44 -2.18 0.00 0.00 179.01 176.63 1fi9 h ASP 93 N -0.45 -0.34 0.03 1.04 3.32 -0.70 -0.04 116.42 119.27 1fi9 h ASP 93 Ca -0.00 0.21 0.03 0.00 0.02 0.00 0.00 57.03 57.28 1fi9 h ASP 93 Cb 0.45 0.36 -0.05 0.00 0.22 0.00 0.00 39.33 40.30 1fi9 h ASP 93 CO 0.00 -0.20 -0.41 0.25 -1.72 0.00 0.00 179.24 177.17 1fi9 h LEU 94 N 0.10 -1.23 -0.83 1.55 6.46 -0.81 -1.20 115.31 119.36 1fi9 h LEU 94 Ca 0.45 0.15 0.20 0.00 -0.12 0.00 0.00 57.88 58.55 1fi9 h LEU 94 Cb 0.81 0.48 -0.13 0.00 -0.73 0.00 0.00 40.66 41.09 1fi9 h LEU 94 CO -0.70 -0.46 0.25 0.40 -0.62 0.00 0.00 178.44 177.31 1fi9 h ILE 95 N -0.58 0.43 -0.37 4.05 5.03 -0.53 -0.68 117.51 124.86 1fi9 h ILE 95 Ca 0.04 -0.10 0.06 0.00 -0.12 0.00 0.00 64.86 64.75 1fi9 h ILE 95 Cb 0.65 0.13 -0.06 0.00 -3.03 0.00 0.00 36.82 34.51 1fi9 h ILE 95 CO -0.30 0.05 0.02 0.00 -0.68 0.00 0.00 178.15 177.25 1fi9 h ALA 96 N 1.70 0.36 0.89 1.87 0.00 0.13 0.21 119.26 124.41 1fi9 h ALA 96 Ca 0.50 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.46 1fi9 h ALA 96 Cb 0.93 0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.89 1fi9 h ALA 96 CO -0.57 -0.38 -0.43 -0.92 0.00 0.00 0.00 179.25 176.95 1fi9 h TYR 97 N 0.13 -1.11 -0.92 0.00 3.20 -0.79 -3.19 116.97 114.29 1fi9 h TYR 97 Ca 0.18 -0.03 0.24 0.00 3.14 0.00 0.00 58.73 62.27 1fi9 h TYR 97 Cb 0.24 0.37 -0.17 0.00 1.54 0.00 0.00 36.73 38.71 1fi9 h TYR 97 CO -0.24 -0.69 0.03 -0.07 -1.64 0.00 0.00 178.16 175.55 1fi9 h LEU 98 N -1.23 -0.43 -0.90 2.82 4.07 -0.70 0.16 115.31 119.10 1fi9 h LEU 98 Ca -0.12 0.25 0.19 0.00 0.08 0.00 0.00 57.88 58.28 1fi9 h LEU 98 Cb 0.92 0.44 -0.17 0.00 1.08 0.00 0.00 40.66 42.93 1fi9 h LEU 98 CO 0.20 -0.29 -0.18 0.11 -1.08 0.00 0.00 178.44 177.20 1fi9 h LYS 99 N 0.05 0.01 0.16 1.13 1.57 -0.59 0.21 116.57 119.11 1fi9 h LYS 99 Ca 0.54 -0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 59.00 1fi9 h LYS 99 Cb 1.07 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1fi9 h LYS 99 CO -0.84 0.01 -1.63 0.87 -0.57 0.00 0.00 179.45 177.28 1fi9 h LYS 100 N 0.01 0.33 0.58 3.15 1.79 -0.90 -3.28 116.57 118.25 1fi9 h LYS 100 Ca 0.45 -0.56 -0.03 0.00 -2.18 0.00 0.00 60.65 58.33 1fi9 h LYS 100 Cb 0.73 0.21 0.01 0.00 -1.58 0.00 0.00 32.23 31.59 1fi9 h LYS 100 CO -0.91 1.27 -0.28 0.00 -1.08 0.00 0.00 179.45 178.45 1fi9 h ALA 101 N 0.05 -0.78 -0.77 3.86 0.00 -0.15 -1.17 119.26 120.30 1fi9 h ALA 101 Ca -0.33 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 1fi9 h ALA 101 Cb 1.96 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 20.02 1fi9 h ALA 101 CO 0.13 -0.88 0.46 1.79 0.00 0.00 0.00 179.25 180.75 1fi9 h THR 102 N -0.91 1.21 -0.38 0.00 1.35 -0.68 -2.39 112.91 111.10 1fi9 h THR 102 Ca -0.08 -0.46 0.04 0.00 -0.55 0.00 0.00 66.41 65.36 1fi9 h THR 102 Cb 0.64 0.13 -0.04 0.00 -1.73 0.00 0.00 68.15 67.16 1fi9 h THR 102 CO 0.13 0.22 0.14 -1.13 -0.25 0.00 0.00 175.52 174.64 1fi9 h ASN 103 N 1.05 0.16 0.00 5.36 -0.73 -1.55 0.30 115.58 120.18 1fi9 h ASN 103 Ca 0.28 0.04 0.00 0.00 1.87 0.00 0.00 56.30 58.48 1fi9 h ASN 103 Cb -0.05 0.02 0.00 0.00 0.27 0.00 0.00 38.32 38.56 1fi9 h ASN 103 CO -0.05 0.13 0.00 -0.62 -0.37 0.00 0.00 177.43 176.52