#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 6.34 0.31 1.61 2.15 -1.26 -4.83 116.67 120.99 1fi9 s ASP 2 Ca 0.00 0.12 0.00 0.00 0.43 0.00 0.00 52.55 53.10 1fi9 s ASP 2 Cb 0.00 -2.27 0.52 0.00 -0.30 0.00 0.00 42.92 40.87 1fi9 s ASP 2 CO 0.00 -0.43 1.95 0.58 -0.17 0.00 0.00 175.17 177.10 1fi9 h VAL 3 N 5.56 1.13 0.62 1.11 2.07 -1.83 0.17 116.25 125.07 1fi9 h VAL 3 Ca -0.28 -0.35 -0.03 0.00 0.82 0.00 0.00 66.70 66.86 1fi9 h VAL 3 Cb 1.13 0.01 0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1fi9 h VAL 3 CO 0.76 0.19 -0.30 -0.33 0.02 0.00 0.00 177.57 177.91 1fi9 h GLU 4 N 1.03 -0.80 -0.65 1.57 4.39 -1.93 0.11 114.58 118.31 1fi9 h GLU 4 Ca 0.34 0.05 0.05 0.00 0.34 0.00 0.00 59.36 60.15 1fi9 h GLU 4 Cb 0.06 0.18 -0.05 0.00 -0.10 0.00 0.00 28.75 28.84 1fi9 h GLU 4 CO -0.10 -0.53 0.36 0.87 -1.16 0.00 0.00 179.01 178.44 1fi9 h LYS 5 N -0.91 0.65 -0.80 2.33 1.57 -1.90 -0.77 116.57 116.74 1fi9 h LYS 5 Ca -0.08 -0.04 0.19 0.00 -1.87 0.00 0.00 60.65 58.85 1fi9 h LYS 5 Cb 0.64 -0.15 -0.12 0.00 0.08 0.00 0.00 32.23 32.67 1fi9 h LYS 5 CO 0.14 0.43 0.19 0.78 -0.57 0.00 0.00 179.45 180.42 1fi9 h GLY 6 N 0.67 1.15 0.98 3.86 0.00 -0.56 0.32 103.07 109.50 1fi9 h GLY 6 Ca 0.29 -0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.57 1fi9 h GLY 6 CO -0.17 -0.27 -0.16 1.70 0.00 0.00 0.00 176.54 177.63 1fi9 h LYS 7 N 0.24 -0.44 -0.44 4.80 3.64 0.67 -0.05 116.57 124.99 1fi9 h LYS 7 Ca 0.47 0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.82 1fi9 h LYS 7 Cb 0.87 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.77 1fi9 h LYS 7 CO -0.58 -0.28 -0.00 0.87 -2.27 0.00 0.00 179.45 177.19 1fi9 h LYS 8 N -0.48 0.71 0.90 1.90 1.79 -0.46 -0.92 116.57 120.01 1fi9 h LYS 8 Ca -0.05 -0.18 -0.04 0.00 -2.18 0.00 0.00 60.65 58.20 1fi9 h LYS 8 Cb 0.37 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 1fi9 h LYS 8 CO 0.08 0.72 -0.49 0.82 -1.08 0.00 0.00 179.45 179.50 1fi9 h ILE 9 N 0.67 0.01 -0.66 1.86 2.04 -0.27 -2.11 117.51 119.05 1fi9 h ILE 9 Ca 0.13 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.13 1fi9 h ILE 9 Cb 0.41 0.01 -0.12 0.00 -0.74 0.00 0.00 36.82 36.38 1fi9 h ILE 9 CO 0.02 0.00 -0.12 0.15 0.00 0.00 0.00 178.15 178.20 1fi9 h PHE 10 N -1.28 -0.26 -0.99 1.37 3.57 -0.58 0.45 116.94 119.21 1fi9 h PHE 10 Ca -0.12 0.06 0.26 0.00 3.53 0.00 0.00 57.97 61.69 1fi9 h PHE 10 Cb 1.00 0.22 -0.07 0.00 2.79 0.00 0.00 35.95 39.90 1fi9 h PHE 10 CO -0.05 -0.26 0.67 0.28 -2.23 0.00 0.00 178.31 176.72 1fi9 h VAL 11 N 0.03 0.55 -0.02 1.41 2.07 -1.03 0.12 116.25 119.39 1fi9 h VAL 11 Ca 0.33 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.76 1fi9 h VAL 11 Cb 0.52 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1fi9 h VAL 11 CO -0.65 0.05 -0.01 0.00 0.02 0.00 0.00 177.57 176.98 1fi9 n GLN 12 N -4.45 1.19 -0.04 1.57 1.13 0.12 -4.51 117.38 112.38 1fi9 n GLN 12 Ca 0.22 -1.42 -0.09 0.00 -1.94 0.00 0.00 57.00 53.78 1fi9 n GLN 12 Cb 0.90 -1.30 -0.03 0.00 0.11 0.00 0.00 30.24 29.92 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 0.86 0.20 -0.37 -1.09 4.76 0.94 -4.98 118.16 118.47 1fi9 n LYS 13 Ca 0.09 0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.60 1fi9 n LYS 13 Cb 0.39 -0.93 0.00 0.00 -1.84 0.00 0.00 35.03 32.65 1fi9 n LYS 13 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1fi9 h ALA 15 N 0.00 1.15 0.02 0.00 0.00 -1.46 0.96 119.26 119.94 1fi9 h ALA 15 Ca 0.00 -0.40 -0.21 0.00 0.00 0.00 0.00 54.91 54.30 1fi9 h ALA 15 Cb 1.03 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1fi9 h ALA 15 CO 0.00 0.57 -0.95 1.96 0.00 0.00 0.00 179.25 180.83 1fi9 h GLN 16 N 0.18 0.20 0.00 0.00 1.08 -1.89 -3.37 115.11 111.31 1fi9 h GLN 16 Ca 0.02 -0.25 -0.00 0.00 -1.45 0.00 0.00 58.65 56.97 1fi9 h GLN 16 Cb 0.78 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 28.29 1fi9 h GLN 16 CO 0.06 1.01 -0.00 0.00 -0.95 0.00 0.00 178.83 178.95 1fi9 n HIS 18 N -4.65 -0.89 0.12 0.00 8.25 0.30 -1.49 115.22 116.86 1fi9 n HIS 18 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 1fi9 n HIS 18 Cb 0.44 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.55 1fi9 n HIS 18 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1fi9 n THR 19 N -0.36 0.00 -1.58 1.59 -1.04 -1.26 -4.71 114.28 106.92 1fi9 n THR 19 Ca 0.00 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.85 1fi9 n THR 19 Cb 0.00 -0.04 -0.06 0.00 -1.82 0.00 0.00 70.33 68.41 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 -3.01 -0.10 -0.14 12.58 0.24 -1.26 -4.87 118.33 121.77 1fi9 n VAL 20 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1fi9 n VAL 20 Cb 0.00 -1.75 0.00 0.00 -1.47 0.00 0.00 33.84 30.62 1fi9 n VAL 20 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 1fi9 n GLU 21 N -2.54 -0.80 -1.38 7.34 0.28 -1.26 -4.04 120.64 118.25 1fi9 n GLU 21 Ca -0.16 -0.45 0.15 0.00 -0.16 0.00 0.00 57.16 56.53 1fi9 n GLU 21 Cb 0.54 -0.93 -0.08 0.00 1.43 0.00 0.00 31.44 32.40 1fi9 n GLU 21 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1fi9 n LYS 22 N -0.01 -3.25 -0.60 3.44 4.76 -1.26 -4.80 118.16 116.44 1fi9 n LYS 22 Ca 0.00 2.65 0.00 0.00 -2.87 0.00 0.00 58.31 58.09 1fi9 n LYS 22 Cb 0.04 -3.71 0.00 0.00 -1.84 0.00 0.00 35.03 29.52 1fi9 n LYS 22 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1fi9 n GLY 23 N -4.04 0.10 0.92 0.72 0.00 -1.26 -4.77 105.19 96.86 1fi9 n GLY 23 Ca -0.08 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.73 1.42 0.01 -0.02 0.00 -1.26 -5.02 105.19 98.59 1fi9 n GLY 24 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 0.49 -0.02 0.00 1.61 5.02 -1.26 -4.88 118.16 119.12 1fi9 n LYS 25 Ca 0.13 0.02 -0.00 0.00 -2.02 0.00 0.00 58.31 56.44 1fi9 n LYS 25 Cb 0.50 -0.03 -0.00 0.00 -0.02 0.00 0.00 35.03 35.48 1fi9 n LYS 25 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1fi9 h HIS 26 N -0.01 -0.01 -2.24 2.13 3.86 -1.95 -3.39 115.15 113.54 1fi9 h HIS 26 Ca -0.00 -0.00 0.17 0.00 -1.16 0.00 0.00 60.37 59.37 1fi9 h HIS 26 Cb 0.01 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.44 1fi9 h HIS 26 CO -0.00 -0.00 -0.22 1.63 0.86 0.00 0.00 177.93 180.20 1fi9 n LYS 27 N -2.07 -1.22 0.21 2.45 4.76 -1.26 -4.22 118.16 116.81 1fi9 n LYS 27 Ca -0.00 0.81 -0.15 0.00 -2.87 0.00 0.00 58.31 56.10 1fi9 n LYS 27 Cb 0.00 -1.49 -0.08 0.00 -1.84 0.00 0.00 35.03 31.62 1fi9 n LYS 27 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 1fi9 h THR 28 N -0.56 0.66 -3.33 -0.18 2.02 -1.90 -3.40 112.91 106.21 1fi9 h THR 28 Ca 0.01 -0.17 -0.57 0.00 0.77 0.00 0.00 66.41 66.45 1fi9 h THR 28 Cb 0.55 0.75 -0.06 0.00 -1.74 0.00 0.00 68.15 67.66 1fi9 h THR 28 CO 0.00 0.04 0.34 -0.83 0.37 0.00 0.00 175.52 175.44 1fi9 s GLY 29 N -2.29 2.34 0.54 2.16 0.00 -0.55 -5.02 107.32 104.50 1fi9 s GLY 29 Ca -0.15 0.15 -0.22 0.00 0.00 0.00 0.00 44.72 44.50 1fi9 s GLY 29 CO 0.62 1.59 1.35 2.56 0.00 0.00 0.00 173.10 179.21 1fi9 s PRO 30 N 1.71 3.15 -0.58 2.90 0.04 -1.26 -4.30 135.00 136.66 1fi9 s PRO 30 Ca 0.41 2.21 -0.26 0.00 0.04 0.00 0.00 61.00 63.40 1fi9 s PRO 30 Cb -0.17 -2.25 -0.08 0.00 0.04 0.00 0.00 34.50 32.03 1fi9 s PRO 30 CO 0.16 -1.17 2.35 0.54 0.04 0.00 0.00 177.00 178.92 1fi9 s ASN 31 N -0.98 4.39 0.00 6.66 4.22 -1.26 -4.39 114.94 123.58 1fi9 s ASN 31 Ca 0.71 0.74 0.00 0.00 -2.14 0.00 0.00 52.86 52.18 1fi9 s ASN 31 Cb -0.40 -2.52 0.00 0.00 1.28 0.00 0.00 41.25 39.62 1fi9 s ASN 31 CO 0.47 -3.07 1.63 0.18 -2.04 0.00 0.00 177.10 174.28 1fi9 n LEU 32 N 16.24 4.40 -4.60 3.54 4.77 -1.26 -4.70 117.00 135.39 1fi9 n LEU 32 Ca 0.38 -1.99 -0.43 0.00 -0.03 0.00 0.00 56.01 53.94 1fi9 n LEU 32 Cb 0.52 -0.92 -0.03 0.00 -2.33 0.00 0.00 43.42 40.66 1fi9 n LEU 32 CO 0.67 0.83 1.54 -2.28 -1.33 0.00 0.00 177.39 176.81 1fi9 s HIS 33 N 0.28 1.80 -0.12 -1.77 2.46 -1.26 -0.81 115.29 115.87 1fi9 s HIS 33 Ca 0.00 0.62 -0.00 0.00 0.47 0.00 0.00 55.06 56.15 1fi9 s HIS 33 Cb 0.00 -4.13 0.00 0.00 -0.13 0.00 0.00 32.58 28.32 1fi9 s HIS 33 CO 0.00 -2.98 0.02 0.41 -2.47 0.00 0.00 174.74 169.72 1fi9 n GLY 34 N 5.43 0.43 0.42 1.59 0.00 0.94 -4.99 105.19 109.01 1fi9 n GLY 34 Ca 0.23 -0.78 -0.13 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.04 -1.41 -9.42 0.99 5.85 -1.22 -3.39 115.31 106.67 1fi9 h LEU 35 Ca -0.04 0.17 -0.54 0.00 0.84 0.00 0.00 57.88 58.32 1fi9 h LEU 35 Cb 1.03 0.56 0.02 0.00 0.37 0.00 0.00 40.66 42.63 1fi9 h LEU 35 CO 0.04 -0.46 1.00 -0.36 -0.34 0.00 0.00 178.44 178.32 1fi9 s PHE 36 N -5.85 2.38 0.00 1.25 0.40 -1.26 -2.84 117.98 112.06 1fi9 s PHE 36 Ca -0.16 0.33 0.00 0.00 -0.60 0.00 0.00 56.93 56.50 1fi9 s PHE 36 Cb 0.08 -3.94 0.00 0.00 0.51 0.00 0.00 43.02 39.67 1fi9 s PHE 36 CO 0.63 -3.78 0.00 0.41 0.70 0.00 0.00 175.22 173.18 1fi9 n GLY 37 N 3.99 1.17 3.23 4.36 0.00 -1.18 -4.88 105.19 111.89 1fi9 n GLY 37 Ca 0.16 -0.21 -0.09 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.88 0.95 0.56 1.61 3.52 -1.13 -5.08 118.95 118.50 1fi9 s ARG 38 Ca 0.00 -1.16 0.06 0.00 -0.13 0.00 0.00 55.73 54.50 1fi9 s ARG 38 Cb 0.00 0.32 0.07 0.00 -1.56 0.00 0.00 34.95 33.78 1fi9 s ARG 38 CO 0.00 -0.31 0.77 0.15 -0.81 0.00 0.00 175.30 175.10 1fi9 s LYS 39 N -3.94 2.36 1.17 5.12 1.02 -1.26 -3.07 119.74 121.13 1fi9 s LYS 39 Ca 0.13 -1.30 -0.17 0.00 0.02 0.00 0.00 55.97 54.66 1fi9 s LYS 39 Cb 0.05 -2.59 0.27 0.00 -0.52 0.00 0.00 37.83 35.04 1fi9 s LYS 39 CO -0.04 -0.80 1.06 0.95 -0.92 0.00 0.00 175.35 175.60 1fi9 s THR 40 N -2.69 1.74 -1.60 2.17 -4.23 0.23 -3.97 115.64 107.30 1fi9 s THR 40 Ca 0.60 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.11 1fi9 s THR 40 Cb -0.07 -2.36 0.00 0.00 1.34 0.00 0.00 72.50 71.40 1fi9 s THR 40 CO 0.38 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.07 1fi9 n GLY 41 N -0.37 0.07 2.56 3.99 0.00 0.80 -4.85 105.19 107.38 1fi9 n GLY 41 Ca 0.09 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 1fi9 n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1fi9 n GLN 42 N -2.73 2.23 -2.66 1.61 1.13 -1.25 -4.98 117.38 110.72 1fi9 n GLN 42 Ca -0.20 -3.76 -0.41 0.00 -1.94 0.00 0.00 57.00 50.69 1fi9 n GLN 42 Cb 0.64 -1.74 -0.04 0.00 0.11 0.00 0.00 30.24 29.21 1fi9 n GLN 42 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1fi9 s ALA 43 N -3.47 3.28 -1.11 -1.58 0.00 -1.26 -4.95 121.76 112.66 1fi9 s ALA 43 Ca 0.36 0.65 -0.22 0.00 0.00 0.00 0.00 51.96 52.74 1fi9 s ALA 43 Cb 0.40 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 20.22 1fi9 s ALA 43 CO -0.03 -0.10 1.75 -1.25 0.00 0.00 0.00 175.76 176.14 1fi9 s PRO 44 N -0.01 3.21 -1.07 0.00 0.04 -1.26 -4.23 135.00 131.67 1fi9 s PRO 44 Ca 0.48 -1.19 -0.09 0.00 0.04 0.00 0.00 61.00 60.24 1fi9 s PRO 44 Cb -0.25 -5.32 -0.06 0.00 0.04 0.00 0.00 34.50 28.92 1fi9 s PRO 44 CO 0.31 -2.91 0.89 0.41 0.04 0.00 0.00 177.00 175.75 1fi9 n GLY 45 N 6.21 -1.11 3.24 0.56 0.00 -1.26 -5.02 105.19 107.81 1fi9 n GLY 45 Ca 0.42 0.55 -0.14 0.00 0.00 0.00 0.00 46.02 46.85 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 -3.41 1.20 -1.31 1.61 5.36 -1.26 -5.08 117.98 115.09 1fi9 s PHE 46 Ca 0.45 -0.78 -0.18 0.00 -0.96 0.00 0.00 56.93 55.46 1fi9 s PHE 46 Cb -0.08 -0.62 0.07 0.00 -0.34 0.00 0.00 43.02 42.05 1fi9 s PHE 46 CO 0.76 0.04 1.78 0.25 -1.46 0.00 0.00 175.22 176.59 1fi9 n THR 47 N -0.16 3.91 -1.53 0.12 -2.24 -1.26 -4.98 114.28 108.15 1fi9 n THR 47 Ca -0.11 -4.03 -0.30 0.00 -2.27 0.00 0.00 64.05 57.35 1fi9 n THR 47 Cb 0.61 -2.37 0.09 0.00 -2.10 0.00 0.00 70.33 66.56 1fi9 n THR 47 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 1fi9 s TYR 48 N 4.11 2.79 0.42 4.78 -0.85 -1.26 -5.09 117.35 122.25 1fi9 s TYR 48 Ca 0.53 1.15 0.07 0.00 -0.52 0.00 0.00 57.07 58.30 1fi9 s TYR 48 Cb 0.05 -3.13 -0.05 0.00 0.38 0.00 0.00 41.96 39.21 1fi9 s TYR 48 CO 0.07 -1.82 0.19 0.95 -1.52 0.00 0.00 175.55 173.42 1fi9 s THR 49 N -3.15 2.30 -1.55 -3.49 -4.23 -1.26 -5.01 115.64 99.25 1fi9 s THR 49 Ca 0.61 -1.68 -0.11 0.00 -1.18 0.00 0.00 61.69 59.33 1fi9 s THR 49 Cb -0.15 -2.97 -0.03 0.00 1.34 0.00 0.00 72.50 70.69 1fi9 s THR 49 CO 0.54 0.00 2.65 -0.67 -0.54 0.00 0.00 174.62 176.61 1fi9 n ASP 50 N -1.27 6.90 0.01 3.99 -0.08 -1.26 -3.37 116.55 121.48 1fi9 n ASP 50 Ca -0.01 -2.70 0.00 0.00 -1.51 0.00 0.00 54.79 50.57 1fi9 n ASP 50 Cb 0.64 -1.59 0.00 0.00 2.34 0.00 0.00 41.12 42.52 1fi9 n ASP 50 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1fi9 n ALA 51 N 4.41 0.65 1.16 -1.67 0.00 -1.26 -4.82 120.51 118.97 1fi9 n ALA 51 Ca 0.68 0.00 0.02 0.00 0.00 0.00 0.00 53.44 54.14 1fi9 n ALA 51 Cb 0.29 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.82 1fi9 n ALA 51 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1fi9 n ASN 52 N -2.55 1.29 0.03 0.00 6.94 -1.22 -3.15 115.26 116.61 1fi9 n ASN 52 Ca 0.00 -2.07 -0.01 0.00 -0.02 0.00 0.00 54.58 52.47 1fi9 n ASN 52 Cb 0.00 -0.27 -0.00 0.00 -2.36 0.00 0.00 39.78 37.15 1fi9 n ASN 52 CO 0.00 0.00 0.00 1.17 -1.03 0.00 0.00 177.26 177.40 1fi9 n LYS 53 N 0.03 0.08 0.33 -3.83 4.81 -1.25 -0.14 118.16 118.19 1fi9 n LYS 53 Ca 0.06 0.03 0.22 0.00 -0.87 0.00 0.00 58.31 57.75 1fi9 n LYS 53 Cb 0.25 -0.63 1.15 0.00 0.02 0.00 0.00 35.03 35.82 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 -0.15 0.00 0.14 3.14 2.35 -1.87 -3.29 115.58 115.90 1fi9 h ASN 54 Ca 0.00 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.77 1fi9 h ASN 54 Cb 0.15 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.49 1fi9 h ASN 54 CO 0.00 0.00 -0.32 0.50 -1.65 0.00 0.00 177.43 175.96 1fi9 h LYS 55 N 0.00 -0.53 -4.23 0.81 3.64 -1.82 -3.48 116.57 110.95 1fi9 h LYS 55 Ca 0.00 0.04 -0.15 0.00 -1.27 0.00 0.00 60.65 59.27 1fi9 h LYS 55 Cb 0.06 0.12 0.10 0.00 -0.41 0.00 0.00 32.23 32.11 1fi9 h LYS 55 CO 0.00 -0.36 -0.46 0.41 -2.27 0.00 0.00 179.45 176.78 1fi9 n GLY 56 N -1.42 -0.15 3.31 5.01 0.00 -1.24 -5.07 105.19 105.64 1fi9 n GLY 56 Ca -0.07 0.09 -0.17 0.00 0.00 0.00 0.00 46.02 45.87 1fi9 n GLY 56 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1fi9 s ILE 57 N -3.21 0.42 0.05 -0.61 -4.36 -1.26 -4.94 121.20 107.29 1fi9 s ILE 57 Ca 0.17 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.61 1fi9 s ILE 57 Cb -0.02 -2.58 -0.04 0.00 1.25 0.00 0.00 42.46 41.07 1fi9 s ILE 57 CO 0.40 0.00 -0.04 -0.89 0.24 0.00 0.00 174.94 174.66 1fi9 s THR 58 N -3.74 3.82 -0.39 8.37 2.01 -1.26 -0.60 115.64 123.84 1fi9 s THR 58 Ca 0.37 -0.90 -0.13 0.00 0.31 0.00 0.00 61.69 61.35 1fi9 s THR 58 Cb 0.07 -2.74 0.03 0.00 0.01 0.00 0.00 72.50 69.86 1fi9 s THR 58 CO 0.15 0.25 0.25 0.26 -0.69 0.00 0.00 174.62 174.84 1fi9 s TRP 59 N -1.16 3.24 -0.41 4.92 0.52 -1.18 -4.50 118.94 120.38 1fi9 s TRP 59 Ca 0.21 -0.82 0.07 0.00 0.02 0.00 0.00 56.10 55.59 1fi9 s TRP 59 Cb -0.11 -2.53 0.34 0.00 -1.15 0.00 0.00 33.47 30.02 1fi9 s TRP 59 CO 0.13 -0.63 1.28 0.36 0.02 0.00 0.00 176.95 178.10 1fi9 n LYS 60 N 5.07 1.04 0.00 4.98 2.85 -1.26 -3.09 118.16 127.75 1fi9 n LYS 60 Ca -0.11 -1.73 0.00 0.00 -1.05 0.00 0.00 58.31 55.42 1fi9 n LYS 60 Cb 0.46 -0.30 0.00 0.00 -0.65 0.00 0.00 35.03 34.54 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 -0.31 0.00 -0.01 -1.58 0.28 -1.26 -4.65 120.64 113.11 1fi9 n GLU 61 Ca -0.03 0.00 -0.01 0.00 -0.16 0.00 0.00 57.16 56.96 1fi9 n GLU 61 Cb 0.79 0.00 -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 -0.02 -0.34 3.44 5.08 -1.96 0.34 114.58 121.11 1fi9 h GLU 62 Ca 0.00 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.42 1fi9 h GLU 62 Cb 0.00 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 1fi9 h GLU 62 CO 0.00 -0.02 0.01 1.15 -1.00 0.00 0.00 179.01 179.15 1fi9 h THR 63 N -0.02 0.76 -0.68 1.13 2.02 -1.83 -2.65 112.91 111.64 1fi9 h THR 63 Ca 0.01 -0.04 0.09 0.00 0.77 0.00 0.00 66.41 67.24 1fi9 h THR 63 Cb 0.04 0.64 -0.07 0.00 -1.74 0.00 0.00 68.15 67.02 1fi9 h THR 63 CO -0.05 0.02 0.32 -0.07 0.37 0.00 0.00 175.52 176.11 1fi9 h LEU 64 N 0.10 0.39 -0.50 2.58 3.38 -1.71 0.19 115.31 119.75 1fi9 h LEU 64 Ca 0.17 0.07 0.10 0.00 0.09 0.00 0.00 57.88 58.30 1fi9 h LEU 64 Cb 0.22 0.01 -0.09 0.00 0.09 0.00 0.00 40.66 40.89 1fi9 h LEU 64 CO -0.27 0.22 -0.09 0.24 0.09 0.00 0.00 178.44 178.63 1fi9 h MET 65 N 0.54 0.03 0.07 1.13 2.86 0.02 0.50 114.93 120.08 1fi9 h MET 65 Ca 0.34 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.97 1fi9 h MET 65 Cb 0.38 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.03 1fi9 h MET 65 CO -0.28 0.02 -0.03 0.93 1.06 0.00 0.00 176.91 178.60 1fi9 h GLU 66 N 0.03 -0.09 -0.85 1.72 5.08 -1.21 -3.15 114.58 116.10 1fi9 h GLU 66 Ca 0.24 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.74 1fi9 h GLU 66 Cb 0.37 0.02 -0.14 0.00 0.50 0.00 0.00 28.75 29.51 1fi9 h GLU 66 CO -0.49 0.38 -0.41 -0.92 -1.00 0.00 0.00 179.01 176.57 1fi9 h TYR 67 N -0.95 -1.19 0.00 4.33 3.20 -0.54 0.34 116.97 122.15 1fi9 h TYR 67 Ca -0.01 0.10 -0.03 0.00 3.14 0.00 0.00 58.73 61.93 1fi9 h TYR 67 Cb 0.51 0.64 -0.00 0.00 1.54 0.00 0.00 36.73 39.42 1fi9 h TYR 67 CO 0.12 -0.40 -0.12 -0.07 -1.64 0.00 0.00 178.16 176.05 1fi9 h LEU 68 N -0.07 0.00 -2.65 2.82 3.38 -1.04 0.21 115.31 117.96 1fi9 h LEU 68 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1fi9 h LEU 68 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1fi9 h LEU 68 CO -0.88 0.12 0.00 -0.62 0.09 0.00 0.00 178.44 177.16 1fi9 n GLU 69 N -3.40 3.47 -2.70 1.13 -0.58 0.10 -4.41 120.64 114.26 1fi9 n GLU 69 Ca -0.01 -2.21 -0.07 0.00 -0.42 0.00 0.00 57.16 54.46 1fi9 n GLU 69 Cb 0.30 -1.91 0.10 0.00 -0.57 0.00 0.00 31.44 29.36 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 0.60 -1.91 -0.50 1.62 3.02 0.03 -4.88 115.26 113.24 1fi9 n ASN 70 Ca 0.20 -2.94 0.00 0.00 -0.03 0.00 0.00 54.58 51.80 1fi9 n ASN 70 Cb 0.83 1.58 0.00 0.00 -0.61 0.00 0.00 39.78 41.58 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 0.28 0.94 -2.72 3.52 -0.04 -0.99 -2.75 135.00 133.24 1fi9 n PRO 71 Ca 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.37 1fi9 n PRO 71 Cb 0.73 -1.47 0.07 0.00 -0.04 0.00 0.00 33.50 32.79 1fi9 n PRO 71 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1fi9 n LYS 72 N 0.03 1.15 0.00 0.54 -0.00 -1.26 -3.66 118.16 114.96 1fi9 n LYS 72 Ca 0.00 -2.51 0.00 0.00 -0.00 0.00 0.00 58.31 55.80 1fi9 n LYS 72 Cb 0.24 -0.71 0.00 0.00 -0.00 0.00 0.00 35.03 34.55 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 -0.25 0.00 0.01 -1.58 0.00 -1.11 -4.91 118.16 110.31 1fi9 n LYS 73 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 58.31 58.26 1fi9 n LYS 73 Cb 0.81 -0.02 -0.04 0.00 0.00 0.00 0.00 35.03 35.79 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 -0.29 -2.64 5.64 -1.99 -1.93 -3.43 116.97 112.35 1fi9 h TYR 74 Ca 0.00 0.02 -0.14 0.00 2.00 0.00 0.00 58.73 60.61 1fi9 h TYR 74 Cb 0.00 0.14 -0.29 0.00 2.00 0.00 0.00 36.73 38.58 1fi9 h TYR 74 CO 0.00 -0.17 -0.42 -1.50 -0.00 0.00 0.00 178.16 176.07 1fi9 s ILE 75 N -6.16 -0.54 -1.25 -2.88 2.07 -1.26 -5.07 121.20 106.11 1fi9 s ILE 75 Ca -0.14 0.20 -0.16 0.00 -1.41 0.00 0.00 60.65 59.14 1fi9 s ILE 75 Cb 0.10 -0.59 -0.03 0.00 0.13 0.00 0.00 42.46 42.07 1fi9 s ILE 75 CO 0.67 0.08 2.18 -0.81 -1.91 0.00 0.00 174.94 175.16 1fi9 n PRO 76 N 5.32 2.47 0.00 3.50 -0.04 -1.26 -4.11 135.00 140.88 1fi9 n PRO 76 Ca -0.09 -2.31 0.00 0.00 -0.04 0.00 0.00 63.50 61.07 1fi9 n PRO 76 Cb 0.50 -3.12 0.00 0.00 -0.04 0.00 0.00 33.50 30.84 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 4.18 -1.23 1.12 0.55 0.00 -1.26 -5.07 105.19 103.48 1fi9 n GLY 77 Ca 0.53 0.59 0.00 0.00 0.00 0.00 0.00 46.02 47.13 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 1.01 0.00 2.61 -1.04 -1.26 -4.62 114.28 110.99 1fi9 n THR 78 Ca 0.00 0.34 0.00 0.00 -2.04 0.00 0.00 64.05 62.35 1fi9 n THR 78 Cb 0.00 -1.44 0.00 0.00 -1.82 0.00 0.00 70.33 67.07 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 -3.39 0.00 -2.49 -2.82 2.85 -1.26 -5.10 118.16 105.95 1fi9 n LYS 79 Ca 0.00 0.00 -0.03 0.00 -1.05 0.00 0.00 58.31 57.23 1fi9 n LYS 79 Cb 0.00 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.36 1fi9 n LYS 79 CO 0.00 0.00 0.00 -0.12 -0.05 0.00 0.00 177.40 177.23 1fi9 n MET 80 N 0.00 -3.60 0.00 -1.58 1.56 -1.24 -5.10 117.12 107.16 1fi9 n MET 80 Ca 0.00 2.83 0.00 0.00 -0.27 0.00 0.00 57.70 60.26 1fi9 n MET 80 Cb 0.00 -4.65 0.00 0.00 2.15 0.00 0.00 33.22 30.72 1fi9 n MET 80 CO 0.00 0.00 0.00 0.44 -0.73 0.00 0.00 175.97 175.68 1fi9 n ILE 81 N 1.11 0.00 -1.27 1.12 -5.35 -1.26 -5.08 119.36 108.62 1fi9 n ILE 81 Ca -0.22 0.00 -0.37 0.00 -0.27 0.00 0.00 62.75 61.90 1fi9 n ILE 81 Cb 0.33 -0.28 0.06 0.00 -1.74 0.00 0.00 39.64 38.01 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 0.00 -1.13 -0.11 4.28 1.16 -1.26 -4.89 117.46 115.52 1fi9 n PHE 82 Ca 0.00 0.35 -0.09 0.00 -1.87 0.00 0.00 57.45 55.84 1fi9 n PHE 82 Cb 0.00 -1.88 -0.04 0.00 -1.61 0.00 0.00 39.48 35.95 1fi9 n PHE 82 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1fi9 h ALA 83 N -0.29 -0.35 -1.44 1.98 0.00 -1.98 -3.46 119.26 113.71 1fi9 h ALA 83 Ca -0.45 0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.54 1fi9 h ALA 83 Cb 1.36 0.81 -0.00 0.00 0.00 0.00 0.00 17.79 19.96 1fi9 h ALA 83 CO 0.42 -0.82 0.03 0.41 0.00 0.00 0.00 179.25 179.29 1fi9 n GLY 84 N -1.42 1.00 0.00 0.00 0.00 -1.26 -4.26 105.19 99.25 1fi9 n GLY 84 Ca -0.00 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.03 0.00 0.08 -0.61 2.08 -1.26 -4.92 119.36 114.69 1fi9 n ILE 85 Ca 0.00 1.20 0.00 0.00 0.56 0.00 0.00 62.75 64.51 1fi9 n ILE 85 Cb 0.03 -2.16 0.00 0.00 -0.75 0.00 0.00 39.64 36.75 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 -1.74 0.00 0.00 0.38 5.02 -1.26 -5.07 118.16 115.49 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 -2.90 0.00 -0.00 1.97 2.85 -1.26 -5.07 118.16 113.75 1fi9 n LYS 87 Ca 0.00 0.00 -0.21 0.00 -1.05 0.00 0.00 58.31 57.05 1fi9 n LYS 87 Cb 0.00 0.00 -0.14 0.00 -0.65 0.00 0.00 35.03 34.24 1fi9 n LYS 87 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 177.40 178.92 1fi9 h LYS 88 N 0.00 0.22 0.26 -1.58 2.10 -2.01 -3.29 116.57 112.27 1fi9 h LYS 88 Ca 0.00 -0.38 -0.01 0.00 -2.00 0.00 0.00 60.65 58.26 1fi9 h LYS 88 Cb 0.00 0.14 -0.01 0.00 -0.90 0.00 0.00 32.23 31.46 1fi9 h LYS 88 CO 0.00 1.18 -0.25 1.15 -2.00 0.00 0.00 179.45 179.53 1fi9 h THR 89 N -0.32 0.00 -0.54 0.07 2.02 -1.99 0.97 112.91 113.12 1fi9 h THR 89 Ca -0.33 0.00 0.09 0.00 0.77 0.00 0.00 66.41 66.94 1fi9 h THR 89 Cb 1.76 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 68.10 1fi9 h THR 89 CO 0.04 0.00 0.16 -0.33 0.37 0.00 0.00 175.52 175.75 1fi9 h GLU 90 N -0.51 0.30 -0.57 6.66 3.07 -2.00 -1.03 114.58 120.51 1fi9 h GLU 90 Ca -0.03 -0.02 0.11 0.00 -0.50 0.00 0.00 59.36 58.92 1fi9 h GLU 90 Cb 0.44 -0.07 -0.09 0.00 -0.84 0.00 0.00 28.75 28.19 1fi9 h GLU 90 CO -0.03 0.20 0.06 -0.09 -1.40 0.00 0.00 179.01 177.75 1fi9 h ARG 91 N 0.31 0.18 0.20 2.33 9.65 -1.55 0.17 114.38 125.68 1fi9 h ARG 91 Ca 0.27 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 59.13 1fi9 h ARG 91 Cb 0.35 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.89 1fi9 h ARG 91 CO -0.31 0.12 -0.10 1.49 2.80 0.00 0.00 179.97 183.96 1fi9 h GLU 92 N 0.18 -0.26 -0.61 0.20 4.22 0.35 -0.23 114.58 118.42 1fi9 h GLU 92 Ca 0.30 0.02 0.12 0.00 0.08 0.00 0.00 59.36 59.87 1fi9 h GLU 92 Cb 0.45 0.06 -0.09 0.00 0.50 0.00 0.00 28.75 29.67 1fi9 h GLU 92 CO -0.43 -0.10 0.11 -0.44 -2.18 0.00 0.00 179.01 175.97 1fi9 h ASP 93 N -0.37 -0.04 -0.05 1.04 3.32 -0.83 0.16 116.42 119.66 1fi9 h ASP 93 Ca -0.03 0.12 0.04 0.00 0.02 0.00 0.00 57.03 57.18 1fi9 h ASP 93 Cb 0.29 0.17 -0.06 0.00 0.22 0.00 0.00 39.33 39.95 1fi9 h ASP 93 CO 0.05 -0.01 -0.35 0.25 -1.72 0.00 0.00 179.24 177.46 1fi9 h LEU 94 N 0.24 -1.05 -0.81 1.55 6.46 -0.18 -0.68 115.31 120.83 1fi9 h LEU 94 Ca 0.32 0.14 0.14 0.00 -0.12 0.00 0.00 57.88 58.37 1fi9 h LEU 94 Cb 0.50 0.43 -0.09 0.00 -0.73 0.00 0.00 40.66 40.76 1fi9 h LEU 94 CO -0.43 -0.39 0.39 0.40 -0.62 0.00 0.00 178.44 177.79 1fi9 h ILE 95 N -0.47 0.72 -0.08 4.05 5.03 0.00 0.22 117.51 126.99 1fi9 h ILE 95 Ca 0.07 -0.20 0.04 0.00 -0.12 0.00 0.00 64.86 64.65 1fi9 h ILE 95 Cb 0.58 0.10 -0.05 0.00 -3.03 0.00 0.00 36.82 34.42 1fi9 h ILE 95 CO -0.31 0.10 -0.22 0.00 -0.68 0.00 0.00 178.15 177.04 1fi9 h ALA 96 N 1.54 -0.23 0.45 1.87 0.00 0.71 0.15 119.26 123.76 1fi9 h ALA 96 Ca 0.44 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.36 1fi9 h ALA 96 Cb 0.62 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1fi9 h ALA 96 CO -0.37 -0.70 -0.38 -0.92 0.00 0.00 0.00 179.25 176.89 1fi9 h TYR 97 N -0.31 -1.04 -0.89 0.00 3.20 -0.78 -3.19 116.97 113.97 1fi9 h TYR 97 Ca 0.08 0.00 0.22 0.00 3.14 0.00 0.00 58.73 62.17 1fi9 h TYR 97 Cb 0.43 0.39 -0.16 0.00 1.54 0.00 0.00 36.73 38.93 1fi9 h TYR 97 CO -0.30 -0.52 -0.01 -0.07 -1.64 0.00 0.00 178.16 175.62 1fi9 h LEU 98 N -0.81 -0.46 -0.26 2.82 4.07 -0.50 0.23 115.31 120.39 1fi9 h LEU 98 Ca -0.06 0.24 0.03 0.00 0.08 0.00 0.00 57.88 58.18 1fi9 h LEU 98 Cb 0.68 0.43 -0.06 0.00 1.08 0.00 0.00 40.66 42.80 1fi9 h LEU 98 CO -0.00 -0.27 -0.42 0.11 -1.08 0.00 0.00 178.44 176.77 1fi9 h LYS 99 N 0.06 -0.33 -0.22 1.13 1.57 -0.70 0.11 116.57 118.19 1fi9 h LYS 99 Ca 0.50 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 59.29 1fi9 h LYS 99 Cb 0.95 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.33 1fi9 h LYS 99 CO -0.82 -0.22 0.07 -0.22 -0.57 0.00 0.00 179.45 177.70 1fi9 h LYS 100 N -0.34 0.34 0.03 3.15 1.63 -1.08 -2.65 116.57 117.65 1fi9 h LYS 100 Ca 0.05 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1fi9 h LYS 100 Cb 0.47 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 32.05 1fi9 h LYS 100 CO -0.42 0.43 -0.02 0.00 -3.45 0.00 0.00 179.45 175.98 1fi9 h ALA 101 N 0.90 -0.05 -0.56 5.00 0.00 -0.27 0.17 119.26 124.45 1fi9 h ALA 101 Ca 0.07 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1fi9 h ALA 101 Cb 0.23 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1fi9 h ALA 101 CO -0.00 -0.53 -0.01 1.79 0.00 0.00 0.00 179.25 180.50 1fi9 h THR 102 N -0.06 1.26 0.24 0.00 1.35 -0.85 -2.79 112.91 112.06 1fi9 h THR 102 Ca 0.00 -1.12 -0.01 0.00 -0.55 0.00 0.00 66.41 64.73 1fi9 h THR 102 Cb 0.06 0.83 0.00 0.00 -1.73 0.00 0.00 68.15 67.31 1fi9 h THR 102 CO -0.01 0.40 -0.12 -1.13 -0.25 0.00 0.00 175.52 174.41 1fi9 h ASN 103 N 0.89 -0.30 0.00 5.36 -0.73 -1.08 0.27 115.58 120.00 1fi9 h ASN 103 Ca 0.16 0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.34 1fi9 h ASN 103 Cb 0.53 0.08 0.00 0.00 0.27 0.00 0.00 38.32 39.20 1fi9 h ASN 103 CO 0.03 -0.21 0.00 1.21 -0.37 0.00 0.00 177.43 178.09