#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 6.54 0.15 1.61 -1.08 -1.26 -4.69 116.67 117.94 1fi9 s ASP 2 Ca 0.00 2.11 -0.12 0.00 -0.52 0.00 0.00 52.55 54.02 1fi9 s ASP 2 Cb 0.00 -2.53 0.02 0.00 -1.46 0.00 0.00 42.92 38.95 1fi9 s ASP 2 CO 0.00 -1.05 1.60 0.58 0.52 0.00 0.00 175.17 176.82 1fi9 h VAL 3 N 5.77 1.26 0.40 1.11 2.07 -1.84 0.22 116.25 125.24 1fi9 h VAL 3 Ca -0.39 -1.08 -0.02 0.00 0.82 0.00 0.00 66.70 66.03 1fi9 h VAL 3 Cb 1.18 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 1fi9 h VAL 3 CO 0.96 0.38 -0.19 -0.33 0.02 0.00 0.00 177.57 178.41 1fi9 h GLU 4 N 0.75 -0.51 -0.82 1.57 4.39 -1.92 0.74 114.58 118.78 1fi9 h GLU 4 Ca 0.14 0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.89 1fi9 h GLU 4 Cb 0.52 0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 29.24 1fi9 h GLU 4 CO 0.03 -0.20 0.54 0.87 -1.16 0.00 0.00 179.01 179.08 1fi9 h LYS 5 N -0.92 1.06 -0.79 2.33 1.57 -1.93 -1.06 116.57 116.83 1fi9 h LYS 5 Ca -0.05 -0.06 0.19 0.00 -1.87 0.00 0.00 60.65 58.85 1fi9 h LYS 5 Cb 0.55 -0.24 -0.12 0.00 0.08 0.00 0.00 32.23 32.50 1fi9 h LYS 5 CO 0.09 0.70 0.17 0.78 -0.57 0.00 0.00 179.45 180.61 1fi9 h GLY 6 N 1.09 1.10 0.95 3.86 0.00 -0.44 0.34 103.07 109.97 1fi9 h GLY 6 Ca 0.31 -0.01 -0.00 0.00 0.00 0.00 0.00 47.33 47.63 1fi9 h GLY 6 CO -0.08 -0.27 -0.07 1.70 0.00 0.00 0.00 176.54 177.82 1fi9 h LYS 7 N 0.22 -0.17 -0.40 4.80 3.64 0.42 0.04 116.57 125.13 1fi9 h LYS 7 Ca 0.46 0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.74 1fi9 h LYS 7 Cb 0.84 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.68 1fi9 h LYS 7 CO -0.59 -0.11 -0.21 0.87 -2.27 0.00 0.00 179.45 177.14 1fi9 h LYS 8 N -0.17 0.79 0.51 1.90 1.79 -0.51 -2.38 116.57 118.49 1fi9 h LYS 8 Ca -0.01 -0.32 -0.02 0.00 -2.18 0.00 0.00 60.65 58.13 1fi9 h LYS 8 Cb 0.15 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.75 1fi9 h LYS 8 CO 0.00 0.93 -0.37 0.82 -1.08 0.00 0.00 179.45 179.76 1fi9 h ILE 9 N 0.69 0.25 -0.82 1.86 2.04 -0.10 0.50 117.51 121.92 1fi9 h ILE 9 Ca 0.10 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.16 1fi9 h ILE 9 Cb 0.72 0.25 -0.14 0.00 -0.74 0.00 0.00 36.82 36.91 1fi9 h ILE 9 CO 0.06 0.00 0.09 0.15 0.00 0.00 0.00 178.15 178.45 1fi9 h PHE 10 N -0.86 0.10 0.00 1.37 3.57 -0.84 0.48 116.94 120.76 1fi9 h PHE 10 Ca -0.06 0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.44 1fi9 h PHE 10 Cb 0.72 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.54 1fi9 h PHE 10 CO -0.14 -0.24 -0.30 0.28 -2.23 0.00 0.00 178.31 175.67 1fi9 h VAL 11 N 0.14 1.02 0.00 1.41 2.07 -0.90 0.85 116.25 120.83 1fi9 h VAL 11 Ca 0.48 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.90 1fi9 h VAL 11 Cb 0.91 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.31 1fi9 h VAL 11 CO -0.68 0.29 -1.30 0.00 0.02 0.00 0.00 177.57 175.90 1fi9 n GLN 12 N -3.89 0.48 -0.12 1.57 6.02 0.79 -4.42 117.38 117.80 1fi9 n GLN 12 Ca -0.02 -0.02 -0.21 0.00 -0.01 0.00 0.00 57.00 56.75 1fi9 n GLN 12 Cb 0.38 -1.64 -0.10 0.00 1.02 0.00 0.00 30.24 29.90 1fi9 n GLN 12 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1fi9 n LYS 13 N -2.24 0.55 0.01 -1.09 4.01 0.13 -4.97 118.16 114.55 1fi9 n LYS 13 Ca -0.00 0.18 0.00 0.00 -0.51 0.00 0.00 58.31 57.97 1fi9 n LYS 13 Cb 0.50 -1.42 0.00 0.00 -0.51 0.00 0.00 35.03 33.61 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 -2.58 0.00 -1.05 0.00 0.00 -0.46 -3.22 120.51 113.20 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 2.52 0.00 0.00 6.02 -1.26 -2.67 117.38 121.98 1fi9 n GLN 16 Ca 0.00 -1.40 0.00 0.00 -0.01 0.00 0.00 57.00 55.59 1fi9 n GLN 16 Cb 0.00 -2.29 0.00 0.00 1.02 0.00 0.00 30.24 28.97 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 -0.82 1.51 -0.11 0.00 3.76 -1.09 -2.85 115.29 115.70 1fi9 s HIS 18 Ca 0.00 -0.38 -0.03 0.00 -0.15 0.00 0.00 55.06 54.49 1fi9 s HIS 18 Cb 0.00 -0.88 -0.06 0.00 1.11 0.00 0.00 32.58 32.75 1fi9 s HIS 18 CO 0.00 0.09 -0.13 2.41 -0.85 0.00 0.00 174.74 176.26 1fi9 n THR 19 N 1.66 0.62 -3.69 1.30 -1.04 -1.26 -4.18 114.28 107.69 1fi9 n THR 19 Ca -0.18 -0.19 -0.27 0.00 -2.04 0.00 0.00 64.05 61.37 1fi9 n THR 19 Cb 0.54 -1.36 0.05 0.00 -1.82 0.00 0.00 70.33 67.73 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 -3.25 -2.31 -3.82 12.58 0.24 -1.26 -4.93 118.33 115.58 1fi9 n VAL 20 Ca -0.21 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 61.97 1fi9 n VAL 20 Cb 0.67 -3.27 -0.09 0.00 -1.47 0.00 0.00 33.84 29.69 1fi9 n VAL 20 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1fi9 s GLU 21 N -6.40 0.62 -0.94 7.34 2.12 -1.26 -3.74 118.70 116.43 1fi9 s GLU 21 Ca 0.59 -0.38 -0.22 0.00 0.36 0.00 0.00 54.97 55.32 1fi9 s GLU 21 Cb -0.28 0.26 -0.13 0.00 0.26 0.00 0.00 34.13 34.24 1fi9 s GLU 21 CO 0.73 -0.17 1.92 1.63 -0.54 0.00 0.00 175.26 178.84 1fi9 n LYS 22 N 1.17 1.55 0.00 4.30 4.01 -1.26 -1.20 118.16 126.74 1fi9 n LYS 22 Ca -0.21 -2.11 0.00 0.00 -0.51 0.00 0.00 58.31 55.48 1fi9 n LYS 22 Cb 0.57 -3.25 0.00 0.00 -0.51 0.00 0.00 35.03 31.84 1fi9 n LYS 22 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1fi9 n GLY 23 N 5.05 0.00 3.61 0.72 0.00 -1.26 -5.14 105.19 108.17 1fi9 n GLY 23 Ca 0.48 0.00 -0.51 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 0.00 0.60 1.66 -0.02 0.00 -0.34 -4.98 105.19 102.11 1fi9 n GLY 24 Ca 0.00 0.70 -0.12 0.00 0.00 0.00 0.00 46.02 46.60 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 2.78 -0.31 0.05 1.61 5.02 -1.26 -4.61 118.16 121.44 1fi9 n LYS 25 Ca 0.18 -0.97 -0.03 0.00 -2.02 0.00 0.00 58.31 55.48 1fi9 n LYS 25 Cb 0.21 -0.50 -0.01 0.00 -0.02 0.00 0.00 35.03 34.70 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 -1.08 -0.15 -0.01 2.13 3.86 -1.94 -3.25 115.15 114.71 1fi9 h HIS 26 Ca -0.17 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.03 1fi9 h HIS 26 Cb 0.51 0.05 0.00 0.00 1.06 0.00 0.00 27.41 29.03 1fi9 h HIS 26 CO 0.00 -0.10 0.00 1.63 0.86 0.00 0.00 177.93 180.32 1fi9 n LYS 27 N -3.58 0.00 0.11 2.45 5.02 -1.26 -3.62 118.16 117.27 1fi9 n LYS 27 Ca -0.02 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.22 1fi9 n LYS 27 Cb 0.07 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.05 1fi9 n LYS 27 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1fi9 h THR 28 N 0.00 0.00 -3.31 -0.18 2.02 -1.93 -3.43 112.91 106.08 1fi9 h THR 28 Ca 0.00 -0.27 -0.56 0.00 0.77 0.00 0.00 66.41 66.35 1fi9 h THR 28 Cb 0.00 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.36 1fi9 h THR 28 CO 0.00 0.00 0.43 -0.83 0.37 0.00 0.00 175.52 175.49 1fi9 s GLY 29 N -2.19 2.41 0.66 2.16 0.00 -1.13 -5.03 107.32 104.21 1fi9 s GLY 29 Ca -0.04 0.28 -0.16 0.00 0.00 0.00 0.00 44.72 44.80 1fi9 s GLY 29 CO 0.13 1.72 1.17 2.56 0.00 0.00 0.00 173.10 178.69 1fi9 s PRO 30 N 1.73 2.63 -0.44 2.90 0.04 -1.24 -4.51 135.00 136.12 1fi9 s PRO 30 Ca 0.45 1.64 -0.27 0.00 0.04 0.00 0.00 61.00 62.86 1fi9 s PRO 30 Cb -0.18 -1.91 -0.07 0.00 0.04 0.00 0.00 34.50 32.38 1fi9 s PRO 30 CO 0.18 -1.43 2.37 -1.71 0.04 0.00 0.00 177.00 176.46 1fi9 n ASN 31 N -2.26 2.45 -1.32 6.66 5.15 -1.23 -4.61 115.26 120.11 1fi9 n ASN 31 Ca 0.12 -0.25 0.00 0.00 -0.60 0.00 0.00 54.58 53.85 1fi9 n ASN 31 Cb 0.51 -1.53 0.00 0.00 -0.53 0.00 0.00 39.78 38.23 1fi9 n ASN 31 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1fi9 n LEU 32 N 14.31 4.04 -4.68 1.20 4.77 -1.26 -4.77 117.00 130.61 1fi9 n LEU 32 Ca 0.37 -1.88 -0.42 0.00 -0.03 0.00 0.00 56.01 54.05 1fi9 n LEU 32 Cb 0.48 -0.80 -0.03 0.00 -2.33 0.00 0.00 43.42 40.74 1fi9 n LEU 32 CO 0.71 0.74 1.42 -2.28 -1.33 0.00 0.00 177.39 176.65 1fi9 s HIS 33 N 0.12 2.11 -1.00 -1.77 5.65 -1.26 -1.69 115.29 117.45 1fi9 s HIS 33 Ca 0.00 0.08 -0.04 0.00 0.25 0.00 0.00 55.06 55.35 1fi9 s HIS 33 Cb 0.00 -4.06 0.00 0.00 -1.18 0.00 0.00 32.58 27.34 1fi9 s HIS 33 CO 0.00 -4.42 0.53 0.41 -0.65 0.00 0.00 174.74 170.60 1fi9 n GLY 34 N 4.17 -0.10 0.26 1.59 0.00 0.48 -4.95 105.19 106.64 1fi9 n GLY 34 Ca 0.17 -0.14 -0.07 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.20 -0.71 -8.73 0.99 5.85 -1.56 -3.39 115.31 106.55 1fi9 h LEU 35 Ca -0.36 0.14 -0.55 0.00 0.84 0.00 0.00 57.88 57.95 1fi9 h LEU 35 Cb 1.25 0.36 -0.04 0.00 0.37 0.00 0.00 40.66 42.59 1fi9 h LEU 35 CO 0.38 -0.25 1.21 -0.36 -0.34 0.00 0.00 178.44 179.08 1fi9 s PHE 36 N -6.11 2.02 0.00 1.25 0.40 -1.26 -3.17 117.98 111.10 1fi9 s PHE 36 Ca -0.15 0.64 0.00 0.00 -0.60 0.00 0.00 56.93 56.83 1fi9 s PHE 36 Cb 0.13 -4.22 0.00 0.00 0.51 0.00 0.00 43.02 39.45 1fi9 s PHE 36 CO 0.69 -2.40 0.00 0.41 0.70 0.00 0.00 175.22 174.61 1fi9 n GLY 37 N 5.36 1.02 3.82 4.36 0.00 -1.25 -4.97 105.19 113.52 1fi9 n GLY 37 Ca 0.19 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.13 1fi9 n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fi9 s ARG 38 N -0.01 2.10 0.32 1.61 3.00 -1.19 -5.09 118.95 119.70 1fi9 s ARG 38 Ca 0.00 -1.32 0.02 0.00 0.00 0.00 0.00 55.73 54.44 1fi9 s ARG 38 Cb 0.00 0.61 0.02 0.00 0.00 0.00 0.00 34.95 35.59 1fi9 s ARG 38 CO 0.00 -0.98 0.20 1.63 0.00 0.00 0.00 175.30 176.15 1fi9 n LYS 39 N -0.52 1.05 -0.01 3.54 5.02 -1.26 -3.21 118.16 122.77 1fi9 n LYS 39 Ca -0.07 -2.09 -0.09 0.00 -2.02 0.00 0.00 58.31 54.04 1fi9 n LYS 39 Cb 0.60 0.29 -0.07 0.00 -0.02 0.00 0.00 35.03 35.83 1fi9 n LYS 39 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1fi9 h THR 40 N 0.70 0.86 0.00 -0.18 1.35 -1.79 -3.39 112.91 110.46 1fi9 h THR 40 Ca -0.22 -1.43 -0.24 0.00 -0.55 0.00 0.00 66.41 63.97 1fi9 h THR 40 Cb 0.76 1.55 -0.02 0.00 -1.73 0.00 0.00 68.15 68.71 1fi9 h THR 40 CO 0.34 0.26 1.11 0.61 -0.25 0.00 0.00 175.52 177.59 1fi9 n GLY 41 N 1.21 2.69 3.62 5.82 0.00 -1.26 -4.61 105.19 112.66 1fi9 n GLY 41 Ca -0.06 -0.84 -0.13 0.00 0.00 0.00 0.00 46.02 44.99 1fi9 n GLY 41 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1fi9 s GLN 42 N 2.33 0.75 -0.17 1.61 1.03 -1.26 -4.94 119.66 119.01 1fi9 s GLN 42 Ca 0.43 0.81 -0.30 0.00 0.04 0.00 0.00 55.36 56.34 1fi9 s GLN 42 Cb 0.17 0.36 0.13 0.00 0.03 0.00 0.00 33.01 33.70 1fi9 s GLN 42 CO -0.02 -0.11 1.02 0.00 -2.54 0.00 0.00 175.29 173.65 1fi9 s ALA 43 N 0.18 -1.95 -1.02 2.60 0.00 -1.26 -4.95 121.76 115.36 1fi9 s ALA 43 Ca 0.00 1.62 -0.23 0.00 0.00 0.00 0.00 51.96 53.35 1fi9 s ALA 43 Cb -0.05 -0.80 -0.01 0.00 0.00 0.00 0.00 23.12 22.27 1fi9 s ALA 43 CO -0.01 -0.30 1.76 -1.25 0.00 0.00 0.00 175.76 175.96 1fi9 s PRO 44 N -1.03 3.04 -1.47 0.00 0.04 -1.26 -4.00 135.00 130.33 1fi9 s PRO 44 Ca -0.01 -0.87 -0.07 0.00 0.04 0.00 0.00 61.00 60.09 1fi9 s PRO 44 Cb -0.01 -5.24 0.02 0.00 0.04 0.00 0.00 34.50 29.31 1fi9 s PRO 44 CO 0.01 -2.95 0.86 0.41 0.04 0.00 0.00 177.00 175.36 1fi9 n GLY 45 N 6.57 -0.53 0.35 0.56 0.00 -1.26 -4.88 105.19 106.00 1fi9 n GLY 45 Ca 0.39 0.18 0.06 0.00 0.00 0.00 0.00 46.02 46.66 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 -4.70 0.00 -3.49 1.61 7.35 -1.26 -5.11 117.46 111.86 1fi9 n PHE 46 Ca -0.05 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.64 1fi9 n PHE 46 Cb 0.59 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.42 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 0.14 0.00 -2.89 -2.13 5.66 -1.26 -4.99 114.28 108.81 1fi9 n THR 47 Ca 0.06 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.06 1fi9 n THR 47 Cb 0.27 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.05 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 -0.07 0.00 -2.74 1.09 4.01 -1.26 -4.74 117.16 113.46 1fi9 n TYR 48 Ca 0.00 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.72 1fi9 n TYR 48 Cb 0.00 0.00 0.10 0.00 -0.31 0.00 0.00 39.34 39.13 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 0.00 0.51 -3.94 -0.72 -1.04 -1.26 -5.01 114.28 102.82 1fi9 n THR 49 Ca 0.00 -1.81 -0.27 0.00 -2.04 0.00 0.00 64.05 59.92 1fi9 n THR 49 Cb 0.00 1.11 -0.07 0.00 -1.82 0.00 0.00 70.33 69.54 1fi9 n THR 49 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1fi9 n ASP 50 N -1.11 0.09 0.07 8.00 9.92 -1.26 -4.30 116.55 127.96 1fi9 n ASP 50 Ca -0.07 -1.01 0.00 0.00 -0.53 0.00 0.00 54.79 53.18 1fi9 n ASP 50 Cb 0.85 -1.26 0.00 0.00 -0.64 0.00 0.00 41.12 40.06 1fi9 n ASP 50 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1fi9 n ALA 51 N -3.69 0.00 -0.11 2.24 0.00 -1.26 -4.91 120.51 112.79 1fi9 n ALA 51 Ca -0.15 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.23 1fi9 n ALA 51 Cb 0.49 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.96 1fi9 n ALA 51 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1fi9 h ASN 52 N 0.00 0.06 -0.96 0.00 -1.24 -1.91 0.76 115.58 112.29 1fi9 h ASN 52 Ca 0.00 0.05 0.11 0.00 0.71 0.00 0.00 56.30 57.17 1fi9 h ASN 52 Cb 0.00 0.06 -0.07 0.00 0.73 0.00 0.00 38.32 39.03 1fi9 h ASN 52 CO 0.00 0.07 0.61 0.50 -1.29 0.00 0.00 177.43 177.32 1fi9 h LYS 53 N 0.23 0.93 0.00 6.67 3.11 -1.92 -0.29 116.57 125.30 1fi9 h LYS 53 Ca 0.17 -0.06 -0.02 0.00 -2.81 0.00 0.00 60.65 57.93 1fi9 h LYS 53 Cb 0.18 -0.21 -0.00 0.00 -1.00 0.00 0.00 32.23 31.19 1fi9 h LYS 53 CO -0.20 0.62 -0.10 -0.97 -2.81 0.00 0.00 179.45 175.98 1fi9 h ASN 54 N 0.96 0.00 0.42 4.20 -0.73 -1.22 -3.01 115.58 116.19 1fi9 h ASN 54 Ca 0.46 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.61 1fi9 h ASN 54 Cb 0.44 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.04 1fi9 h ASN 54 CO -0.22 0.10 -0.20 0.50 -0.37 0.00 0.00 177.43 177.24 1fi9 h LYS 55 N 0.00 -0.54 -0.20 6.67 3.64 -0.38 -3.47 116.57 122.30 1fi9 h LYS 55 Ca -0.00 0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.33 1fi9 h LYS 55 Cb 0.23 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 1fi9 h LYS 55 CO 0.01 -0.36 -0.08 0.41 -2.27 0.00 0.00 179.45 177.17 1fi9 n GLY 56 N -0.34 0.57 3.86 5.01 0.00 -1.14 -4.99 105.19 108.17 1fi9 n GLY 56 Ca -0.07 -0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.75 4.74 1.01 -0.61 -4.36 -1.26 -4.67 121.20 114.30 1fi9 s ILE 57 Ca 0.00 0.80 -0.14 0.00 -0.26 0.00 0.00 60.65 61.05 1fi9 s ILE 57 Cb 0.00 -3.64 0.19 0.00 1.25 0.00 0.00 42.46 40.26 1fi9 s ILE 57 CO 0.00 -0.26 1.13 0.42 0.24 0.00 0.00 174.94 176.47 1fi9 s THR 58 N -2.07 1.92 -0.21 8.37 -4.23 -1.26 -2.76 115.64 115.41 1fi9 s THR 58 Ca 0.53 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.04 1fi9 s THR 58 Cb -0.10 -2.62 0.05 0.00 1.34 0.00 0.00 72.50 71.17 1fi9 s THR 58 CO 0.21 0.00 -0.07 0.26 -0.54 0.00 0.00 174.62 174.48 1fi9 s TRP 59 N -3.15 2.25 -0.39 3.99 0.52 -1.20 -4.72 118.94 116.25 1fi9 s TRP 59 Ca 0.67 -1.56 0.10 0.00 0.02 0.00 0.00 56.10 55.33 1fi9 s TRP 59 Cb -0.14 -1.54 0.39 0.00 -1.15 0.00 0.00 33.47 31.03 1fi9 s TRP 59 CO 0.55 -0.73 1.26 0.36 0.02 0.00 0.00 176.95 178.42 1fi9 n LYS 60 N 4.72 1.17 0.00 4.98 2.85 -1.26 -3.84 118.16 126.78 1fi9 n LYS 60 Ca -0.13 -2.07 0.00 0.00 -1.05 0.00 0.00 58.31 55.07 1fi9 n LYS 60 Cb 0.46 -0.34 0.00 0.00 -0.65 0.00 0.00 35.03 34.49 1fi9 n LYS 60 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1fi9 n GLU 61 N -0.41 0.00 -0.34 -1.58 2.13 -1.26 -4.58 120.64 114.60 1fi9 n GLU 61 Ca 0.00 0.00 0.08 0.00 0.66 0.00 0.00 57.16 57.90 1fi9 n GLU 61 Cb 0.83 0.00 0.17 0.00 0.27 0.00 0.00 31.44 32.71 1fi9 n GLU 61 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1fi9 h GLU 62 N 0.00 0.00 0.07 5.31 5.08 -1.96 0.39 114.58 123.48 1fi9 h GLU 62 Ca 0.00 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1fi9 h GLU 62 Cb 0.00 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1fi9 h GLU 62 CO 0.00 0.00 -0.04 1.79 -1.00 0.00 0.00 179.01 179.77 1fi9 h THR 63 N 0.00 1.19 -0.99 1.13 1.35 -1.84 -3.08 112.91 110.67 1fi9 h THR 63 Ca 0.50 -1.04 0.25 0.00 -0.55 0.00 0.00 66.41 65.57 1fi9 h THR 63 Cb 0.84 1.86 -0.13 0.00 -1.73 0.00 0.00 68.15 68.98 1fi9 h THR 63 CO -0.97 0.25 0.56 -0.07 -0.25 0.00 0.00 175.52 175.05 1fi9 h LEU 64 N -0.58 0.61 -0.76 3.87 4.07 -1.42 0.21 115.31 121.31 1fi9 h LEU 64 Ca -0.01 0.15 0.16 0.00 0.08 0.00 0.00 57.88 58.25 1fi9 h LEU 64 Cb 0.49 0.06 -0.10 0.00 1.08 0.00 0.00 40.66 42.19 1fi9 h LEU 64 CO 0.02 0.06 0.25 0.24 -1.08 0.00 0.00 178.44 177.93 1fi9 h MET 65 N 0.52 0.35 0.00 1.13 2.86 -0.21 0.11 114.93 119.70 1fi9 h MET 65 Ca 0.64 -0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 58.20 1fi9 h MET 65 Cb 1.26 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.83 1fi9 h MET 65 CO -0.50 0.23 -0.35 0.93 1.06 0.00 0.00 176.91 178.28 1fi9 h GLU 66 N 0.36 0.00 -0.45 1.72 5.08 -1.18 -3.21 114.58 116.90 1fi9 h GLU 66 Ca 0.43 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.87 1fi9 h GLU 66 Cb 0.71 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.89 1fi9 h GLU 66 CO -0.46 0.84 0.04 -0.92 -1.00 0.00 0.00 179.01 177.50 1fi9 h TYR 67 N -1.00 0.04 -0.18 4.33 3.20 -0.24 0.54 116.97 123.66 1fi9 h TYR 67 Ca -0.09 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.70 1fi9 h TYR 67 Cb 0.94 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.25 1fi9 h TYR 67 CO 0.18 -0.06 -0.37 -0.07 -1.64 0.00 0.00 178.16 176.19 1fi9 h LEU 68 N 0.15 0.41 -2.72 2.82 3.38 -0.99 -1.01 115.31 117.35 1fi9 h LEU 68 Ca 0.23 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1fi9 h LEU 68 Cb 0.32 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1fi9 h LEU 68 CO -0.34 0.75 0.00 1.21 0.09 0.00 0.00 178.44 180.14 1fi9 n GLU 69 N -4.05 3.41 0.00 1.13 2.13 0.33 -3.80 120.64 119.79 1fi9 n GLU 69 Ca -0.01 -2.41 0.00 0.00 0.66 0.00 0.00 57.16 55.39 1fi9 n GLU 69 Cb 0.47 -1.84 0.00 0.00 0.27 0.00 0.00 31.44 30.35 1fi9 n GLU 69 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1fi9 n ASN 70 N 0.86 0.00 -0.07 4.31 3.02 0.16 -4.52 115.26 119.03 1fi9 n ASN 70 Ca 0.22 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.65 1fi9 n ASN 70 Cb 0.80 0.00 -0.05 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 0.39 -1.97 3.52 0.13 -1.36 -3.25 132.00 129.47 1fi9 h PRO 71 Ca 0.00 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 1fi9 h PRO 71 Cb 0.00 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.11 1fi9 h PRO 71 CO 0.00 0.63 0.00 0.36 -0.23 0.00 0.00 178.00 178.76 1fi9 n LYS 72 N -4.63 0.81 0.05 0.86 -0.00 -1.26 -3.56 118.16 110.43 1fi9 n LYS 72 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.26 1fi9 n LYS 72 Cb 0.27 -1.10 0.00 0.00 -0.00 0.00 0.00 35.03 34.21 1fi9 n LYS 72 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1fi9 n LYS 73 N 1.55 0.00 -0.17 -1.58 4.76 -1.22 -4.59 118.16 116.91 1fi9 n LYS 73 Ca 0.00 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.41 1fi9 n LYS 73 Cb 0.40 -0.08 0.07 0.00 -1.84 0.00 0.00 35.03 33.58 1fi9 n LYS 73 CO 0.00 0.00 0.00 1.88 -1.37 0.00 0.00 177.40 177.91 1fi9 h TYR 74 N 0.00 0.40 -1.44 2.13 0.05 -1.69 -3.42 116.97 112.99 1fi9 h TYR 74 Ca 0.00 0.02 0.07 0.00 0.05 0.00 0.00 58.73 58.87 1fi9 h TYR 74 Cb 0.09 -0.10 -0.21 0.00 1.01 0.00 0.00 36.73 37.52 1fi9 h TYR 74 CO 0.00 0.15 -0.23 -1.50 -1.05 0.00 0.00 178.16 175.53 1fi9 s ILE 75 N -6.12 -0.97 -1.37 -2.88 2.07 -1.26 -4.98 121.20 105.69 1fi9 s ILE 75 Ca -0.13 0.00 -0.14 0.00 -1.41 0.00 0.00 60.65 58.98 1fi9 s ILE 75 Cb 0.15 -0.98 -0.02 0.00 0.13 0.00 0.00 42.46 41.73 1fi9 s ILE 75 CO 0.74 -0.00 2.36 -0.81 -1.91 0.00 0.00 174.94 175.31 1fi9 n PRO 76 N 5.43 2.82 -2.68 3.50 -0.04 -1.26 -4.02 135.00 138.75 1fi9 n PRO 76 Ca -0.05 -2.32 -0.05 0.00 -0.04 0.00 0.00 63.50 61.03 1fi9 n PRO 76 Cb 0.50 -3.06 0.07 0.00 -0.04 0.00 0.00 33.50 30.97 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 4.01 -0.25 0.00 0.55 0.00 -1.26 -5.07 105.19 103.17 1fi9 n GLY 77 Ca 0.58 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.83 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 -0.05 0.00 -2.66 2.61 -1.04 -1.26 -4.83 114.28 107.05 1fi9 n THR 78 Ca -0.09 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.88 1fi9 n THR 78 Cb 0.73 -0.29 0.07 0.00 -1.82 0.00 0.00 70.33 69.02 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 -0.93 0.10 -1.71 -2.82 2.85 -1.26 -5.14 118.16 109.26 1fi9 n LYS 79 Ca 0.00 -0.68 -0.43 0.00 -1.05 0.00 0.00 58.31 56.16 1fi9 n LYS 79 Cb 0.00 -0.12 -0.03 0.00 -0.65 0.00 0.00 35.03 34.23 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 1.72 2.72 0.00 -1.58 1.56 -1.26 -4.86 117.12 115.41 1fi9 n MET 80 Ca 0.03 0.98 0.00 0.00 -0.27 0.00 0.00 57.70 58.44 1fi9 n MET 80 Cb 0.70 -2.83 0.00 0.00 2.15 0.00 0.00 33.22 33.24 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 4.01 0.00 -3.88 1.12 -5.35 -1.26 -5.11 119.36 108.89 1fi9 n ILE 81 Ca 0.16 0.00 -0.08 0.00 -0.27 0.00 0.00 62.75 62.56 1fi9 n ILE 81 Cb 0.35 -0.45 -0.02 0.00 -1.74 0.00 0.00 39.64 37.78 1fi9 n ILE 81 CO 0.00 0.00 0.00 0.72 -1.76 0.00 0.00 176.55 175.51 1fi9 s PHE 82 N -1.67 -0.01 0.01 4.28 -0.12 -1.26 -5.08 117.98 114.12 1fi9 s PHE 82 Ca 0.00 -0.47 -0.23 0.00 -0.05 0.00 0.00 56.93 56.18 1fi9 s PHE 82 Cb 0.00 0.62 -0.13 0.00 -0.63 0.00 0.00 43.02 42.88 1fi9 s PHE 82 CO 0.00 -1.25 1.04 0.00 -0.05 0.00 0.00 175.22 174.96 1fi9 h ALA 83 N 2.05 -0.92 -2.90 1.99 0.00 -1.94 -3.43 119.26 114.11 1fi9 h ALA 83 Ca -0.23 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1fi9 h ALA 83 Cb 1.25 0.32 -0.07 0.00 0.00 0.00 0.00 17.79 19.29 1fi9 h ALA 83 CO 0.28 -0.86 0.03 0.20 0.00 0.00 0.00 179.25 178.90 1fi9 s GLY 84 N -2.30 0.31 0.00 0.00 0.00 -1.26 -2.45 107.32 101.62 1fi9 s GLY 84 Ca -0.12 -0.67 0.00 0.00 0.00 0.00 0.00 44.72 43.93 1fi9 s GLY 84 CO 0.36 -0.42 0.62 1.39 0.00 0.00 0.00 173.10 175.06 1fi9 n ILE 85 N -0.42 0.00 0.08 0.90 2.08 -1.25 -4.86 119.36 115.90 1fi9 n ILE 85 Ca -0.03 1.12 0.00 0.00 0.56 0.00 0.00 62.75 64.41 1fi9 n ILE 85 Cb 0.61 -1.76 0.00 0.00 -0.75 0.00 0.00 39.64 37.74 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 -1.33 0.00 0.11 0.38 5.02 -1.26 -5.06 118.16 116.02 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 -0.03 0.00 0.00 -0.02 0.00 0.00 35.03 34.98 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 -3.11 0.00 0.00 1.97 2.85 -1.26 -5.07 118.16 113.54 1fi9 n LYS 87 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1fi9 n LYS 87 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1fi9 n LYS 87 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1fi9 n LYS 88 N -3.06 0.00 0.21 -1.58 4.81 -1.26 -4.98 118.16 112.30 1fi9 n LYS 88 Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.31 1fi9 n LYS 88 Cb 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 34.98 1fi9 n LYS 88 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 1fi9 h THR 89 N 0.00 0.00 -0.62 3.15 2.02 -1.99 0.12 112.91 115.58 1fi9 h THR 89 Ca 0.00 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.31 1fi9 h THR 89 Cb 0.00 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.29 1fi9 h THR 89 CO 0.00 0.00 -0.13 -0.33 0.37 0.00 0.00 175.52 175.43 1fi9 h GLU 90 N -0.71 0.02 -0.67 6.66 3.07 -1.99 -0.39 114.58 120.57 1fi9 h GLU 90 Ca -0.05 -0.00 0.08 0.00 -0.50 0.00 0.00 59.36 58.89 1fi9 h GLU 90 Cb 0.60 -0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.45 1fi9 h GLU 90 CO -0.03 0.01 0.35 -0.09 -1.40 0.00 0.00 179.01 177.85 1fi9 h ARG 91 N 0.02 0.60 0.00 2.33 1.12 -1.77 0.23 114.38 116.92 1fi9 h ARG 91 Ca 0.31 -0.04 -0.00 0.00 -1.11 0.00 0.00 59.98 59.14 1fi9 h ARG 91 Cb 0.47 -0.14 0.00 0.00 -0.01 0.00 0.00 29.97 30.30 1fi9 h ARG 91 CO -0.63 0.40 -0.00 0.93 -3.11 0.00 0.00 179.97 177.56 1fi9 h GLU 92 N 0.62 -0.01 -0.78 0.20 4.39 0.47 -1.08 114.58 118.38 1fi9 h GLU 92 Ca 0.32 0.00 0.11 0.00 0.34 0.00 0.00 59.36 60.13 1fi9 h GLU 92 Cb 0.28 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 28.85 1fi9 h GLU 92 CO -0.23 0.13 0.40 -0.44 -1.16 0.00 0.00 179.01 177.71 1fi9 h ASP 93 N -0.14 0.52 -0.08 1.42 3.32 -0.66 -1.52 116.42 119.28 1fi9 h ASP 93 Ca -0.00 0.07 0.04 0.00 0.02 0.00 0.00 57.03 57.16 1fi9 h ASP 93 Cb 0.14 -0.02 -0.06 0.00 0.22 0.00 0.00 39.33 39.61 1fi9 h ASP 93 CO 0.00 0.27 -0.35 0.25 -1.72 0.00 0.00 179.24 177.69 1fi9 h LEU 94 N 0.64 -1.08 -0.58 1.55 6.46 -0.02 -0.94 115.31 121.34 1fi9 h LEU 94 Ca 0.40 0.15 0.12 0.00 -0.12 0.00 0.00 57.88 58.42 1fi9 h LEU 94 Cb 0.48 0.44 -0.11 0.00 -0.73 0.00 0.00 40.66 40.74 1fi9 h LEU 94 CO -0.30 -0.39 -0.14 0.40 -0.62 0.00 0.00 178.44 177.39 1fi9 h ILE 95 N -0.46 0.43 -0.53 4.05 5.03 -0.46 -0.05 117.51 125.51 1fi9 h ILE 95 Ca 0.08 -0.00 0.07 0.00 -0.12 0.00 0.00 64.86 64.89 1fi9 h ILE 95 Cb 0.58 0.42 -0.06 0.00 -3.03 0.00 0.00 36.82 34.73 1fi9 h ILE 95 CO -0.33 0.00 0.21 0.00 -0.68 0.00 0.00 178.15 177.35 1fi9 h ALA 96 N 1.58 0.67 0.68 1.87 0.00 -0.23 0.20 119.26 124.02 1fi9 h ALA 96 Ca 0.28 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.22 1fi9 h ALA 96 Cb 0.43 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1fi9 h ALA 96 CO -0.59 -0.18 -0.41 -0.92 0.00 0.00 0.00 179.25 177.15 1fi9 h TYR 97 N 0.40 -1.08 -0.92 0.00 3.20 -0.86 -3.25 116.97 114.45 1fi9 h TYR 97 Ca 0.26 -0.01 0.22 0.00 3.14 0.00 0.00 58.73 62.34 1fi9 h TYR 97 Cb 0.27 0.38 -0.17 0.00 1.54 0.00 0.00 36.73 38.75 1fi9 h TYR 97 CO -0.15 -0.61 -0.05 -0.07 -1.64 0.00 0.00 178.16 175.64 1fi9 h LEU 98 N -1.01 -0.56 -0.46 2.82 4.07 0.04 0.23 115.31 120.44 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 0.81 0.48 -0.08 0.00 1.08 0.00 0.00 40.66 42.95 1fi9 h LEU 98 CO 0.10 -0.30 -0.53 0.11 -1.08 0.00 0.00 178.44 176.74 1fi9 h LYS 99 N 0.03 -0.31 -0.21 1.13 1.57 -0.69 0.41 116.57 118.49 1fi9 h LYS 99 Ca 0.52 0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 59.25 1fi9 h LYS 99 Cb 0.96 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.34 1fi9 h LYS 99 CO -0.88 -0.21 -0.13 -0.22 -0.57 0.00 0.00 179.45 177.44 1fi9 h LYS 100 N -0.32 0.47 0.30 3.15 3.64 -1.02 -3.07 116.57 119.71 1fi9 h LYS 100 Ca 0.08 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1fi9 h LYS 100 Cb 0.53 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 1fi9 h LYS 100 CO -0.60 0.77 -0.32 0.00 -2.27 0.00 0.00 179.45 177.03 1fi9 h ALA 101 N 0.69 -0.66 -0.31 5.00 0.00 -0.13 -0.35 119.26 123.49 1fi9 h ALA 101 Ca 0.04 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1fi9 h ALA 101 Cb 0.64 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1fi9 h ALA 101 CO 0.04 -0.91 -0.21 1.79 0.00 0.00 0.00 179.25 179.95 1fi9 h THR 102 N -0.65 1.26 0.27 0.00 1.35 -1.02 -2.94 112.91 111.18 1fi9 h THR 102 Ca -0.01 -1.25 -0.00 0.00 -0.55 0.00 0.00 66.41 64.60 1fi9 h THR 102 Cb 0.60 1.25 -0.02 0.00 -1.73 0.00 0.00 68.15 68.26 1fi9 h THR 102 CO -0.08 0.41 -0.24 -1.13 -0.25 0.00 0.00 175.52 174.23 1fi9 h ASN 103 N 0.53 -0.62 -0.02 5.36 -0.73 -1.34 0.14 115.58 118.90 1fi9 h ASN 103 Ca 0.08 0.05 0.00 0.00 1.87 0.00 0.00 56.30 58.30 1fi9 h ASN 103 Cb 0.66 0.21 0.00 0.00 0.27 0.00 0.00 38.32 39.46 1fi9 h ASN 103 CO 0.05 -0.35 0.00 -0.62 -0.37 0.00 0.00 177.43 176.13