#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 6.75 0.19 1.61 2.15 -1.26 -4.67 116.67 121.44 1fi9 s ASP 2 Ca 0.00 2.26 -0.09 0.00 0.43 0.00 0.00 52.55 55.15 1fi9 s ASP 2 Cb 0.00 -2.56 0.12 0.00 -0.30 0.00 0.00 42.92 40.18 1fi9 s ASP 2 CO 0.00 -0.79 1.75 0.58 -0.17 0.00 0.00 175.17 176.54 1fi9 h VAL 3 N 4.90 1.25 0.48 1.11 2.07 -1.85 0.13 116.25 124.34 1fi9 h VAL 3 Ca -0.40 -0.81 -0.02 0.00 0.82 0.00 0.00 66.70 66.29 1fi9 h VAL 3 Cb 1.19 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1fi9 h VAL 3 CO 0.92 0.32 -0.23 -0.33 0.02 0.00 0.00 177.57 178.26 1fi9 h GLU 4 N 1.02 -0.63 -0.31 1.57 4.39 -1.91 0.16 114.58 118.87 1fi9 h GLU 4 Ca 0.23 0.04 0.02 0.00 0.34 0.00 0.00 59.36 60.00 1fi9 h GLU 4 Cb 0.24 0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 29.00 1fi9 h GLU 4 CO -0.02 -0.33 0.15 0.87 -1.16 0.00 0.00 179.01 178.53 1fi9 h LYS 5 N -0.89 0.31 -0.83 2.33 1.57 -1.93 -2.62 116.57 114.51 1fi9 h LYS 5 Ca -0.07 -0.02 0.21 0.00 -1.87 0.00 0.00 60.65 58.90 1fi9 h LYS 5 Cb 0.59 -0.07 -0.13 0.00 0.08 0.00 0.00 32.23 32.70 1fi9 h LYS 5 CO 0.11 0.20 0.18 0.78 -0.57 0.00 0.00 179.45 180.15 1fi9 h GLY 6 N 0.31 1.19 0.82 3.86 0.00 -0.51 0.32 103.07 109.07 1fi9 h GLY 6 Ca 0.13 -0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 1fi9 h GLY 6 CO -0.09 -0.32 -0.28 1.70 0.00 0.00 0.00 176.54 177.55 1fi9 h LYS 7 N 0.20 -0.64 -0.54 4.80 3.64 -0.34 -0.26 116.57 123.42 1fi9 h LYS 7 Ca 0.50 0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.88 1fi9 h LYS 7 Cb 0.95 0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.89 1fi9 h LYS 7 CO -0.63 -0.43 0.18 0.87 -2.27 0.00 0.00 179.45 177.17 1fi9 h LYS 8 N -0.67 0.83 0.16 1.90 6.56 -0.73 -1.78 116.57 122.84 1fi9 h LYS 8 Ca -0.04 -0.17 0.02 0.00 -1.06 0.00 0.00 60.65 59.40 1fi9 h LYS 8 Cb 0.57 -0.12 -0.04 0.00 -0.57 0.00 0.00 32.23 32.06 1fi9 h LYS 8 CO 0.02 0.75 -0.36 0.82 -2.06 0.00 0.00 179.45 178.62 1fi9 h ILE 9 N 0.74 0.25 -0.71 1.86 2.04 -0.27 0.41 117.51 121.82 1fi9 h ILE 9 Ca 0.18 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.19 1fi9 h ILE 9 Cb 0.26 0.25 -0.12 0.00 -0.74 0.00 0.00 36.82 36.47 1fi9 h ILE 9 CO -0.01 0.00 -0.01 0.15 0.00 0.00 0.00 178.15 178.28 1fi9 h PHE 10 N -0.61 -0.07 0.00 1.37 3.57 -0.79 0.28 116.94 120.69 1fi9 h PHE 10 Ca 0.02 0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.53 1fi9 h PHE 10 Cb 0.63 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.51 1fi9 h PHE 10 CO -0.30 -0.23 -0.23 0.28 -2.23 0.00 0.00 178.31 175.61 1fi9 h VAL 11 N 0.10 0.67 -0.02 1.41 2.07 -0.39 0.12 116.25 120.21 1fi9 h VAL 11 Ca 0.38 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1fi9 h VAL 11 Cb 0.65 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 1fi9 h VAL 11 CO -0.63 0.22 -0.39 0.00 0.02 0.00 0.00 177.57 176.79 1fi9 n GLN 12 N -3.56 1.37 -0.00 1.57 1.13 0.13 -4.43 117.38 113.59 1fi9 n GLN 12 Ca -0.01 -1.12 -0.04 0.00 -1.94 0.00 0.00 57.00 53.89 1fi9 n GLN 12 Cb 0.37 -1.48 -0.01 0.00 0.11 0.00 0.00 30.24 29.23 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 0.16 0.12 -0.01 -1.09 4.01 0.72 -5.02 118.16 117.06 1fi9 n LYS 13 Ca 0.10 0.05 -0.01 0.00 -0.51 0.00 0.00 58.31 57.94 1fi9 n LYS 13 Cb 0.48 -0.70 -0.00 0.00 -0.51 0.00 0.00 35.03 34.30 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 -2.78 0.00 -0.97 0.00 0.00 -0.74 -2.54 120.51 113.48 1fi9 n ALA 15 Ca -0.01 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.27 1fi9 n ALA 15 Cb 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.37 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 2.12 0.00 0.00 6.02 -1.26 -3.36 117.38 120.90 1fi9 n GLN 16 Ca 0.00 -1.13 0.00 0.00 -0.01 0.00 0.00 57.00 55.86 1fi9 n GLN 16 Cb 0.00 -2.10 0.00 0.00 1.02 0.00 0.00 30.24 29.16 1fi9 n GLN 16 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1fi9 s HIS 18 N -1.45 2.48 0.00 0.00 3.76 -1.21 -1.40 115.29 117.46 1fi9 s HIS 18 Ca 0.00 -0.42 0.00 0.00 -0.15 0.00 0.00 55.06 54.49 1fi9 s HIS 18 Cb 0.00 -1.35 0.00 0.00 1.11 0.00 0.00 32.58 32.34 1fi9 s HIS 18 CO 0.00 0.56 0.00 2.41 -0.85 0.00 0.00 174.74 176.86 1fi9 n THR 19 N -0.85 0.00 -3.33 1.30 -1.04 -1.26 -4.21 114.28 104.89 1fi9 n THR 19 Ca -0.05 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.72 1fi9 n THR 19 Cb 0.62 -0.43 0.03 0.00 -1.82 0.00 0.00 70.33 68.73 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 -2.28 -1.93 -3.86 12.58 0.24 -1.26 -4.89 118.33 116.93 1fi9 n VAL 20 Ca 0.00 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.23 1fi9 n VAL 20 Cb 0.36 -3.07 -0.02 0.00 -1.47 0.00 0.00 33.84 29.64 1fi9 n VAL 20 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1fi9 s GLU 21 N -6.02 1.84 0.55 7.34 4.04 -1.26 -3.03 118.70 122.16 1fi9 s GLU 21 Ca 0.43 -1.06 -0.20 0.00 0.04 0.00 0.00 54.97 54.17 1fi9 s GLU 21 Cb -0.20 0.61 -0.05 0.00 0.02 0.00 0.00 34.13 34.50 1fi9 s GLU 21 CO 0.53 -0.84 1.19 0.15 -1.84 0.00 0.00 175.26 174.44 1fi9 s LYS 22 N -3.71 3.25 -1.60 -4.83 -0.14 -1.26 -3.29 119.74 108.15 1fi9 s LYS 22 Ca 0.12 1.78 0.00 0.00 -1.36 0.00 0.00 55.97 56.51 1fi9 s LYS 22 Cb -0.06 -2.06 0.00 0.00 -1.68 0.00 0.00 37.83 34.03 1fi9 s LYS 22 CO 0.08 -0.97 0.00 0.41 -0.76 0.00 0.00 175.35 174.10 1fi9 n GLY 23 N 0.40 0.45 0.00 -3.33 0.00 -1.26 -4.87 105.19 96.58 1fi9 n GLY 23 Ca 0.12 -0.18 0.06 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.96 -0.53 7.00 -0.02 0.00 -1.21 -4.97 105.19 104.50 1fi9 n GLY 24 Ca -0.19 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.84 0.00 -3.10 1.61 5.02 -1.26 -4.69 118.16 114.89 1fi9 n LYS 25 Ca 0.09 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.17 1fi9 n LYS 25 Cb 0.04 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.01 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 -0.90 -0.90 0.00 2.13 8.25 -1.26 -4.18 115.22 118.36 1fi9 n HIS 26 Ca 0.00 -3.24 0.00 0.00 -0.26 0.00 0.00 57.72 54.22 1fi9 n HIS 26 Cb 0.00 0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.13 1fi9 n HIS 26 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1fi9 n LYS 27 N 1.33 0.00 0.07 -0.41 5.02 -1.26 -4.99 118.16 117.92 1fi9 n LYS 27 Ca 0.19 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 1fi9 n LYS 27 Cb 0.56 -0.45 0.00 0.00 -0.02 0.00 0.00 35.03 35.13 1fi9 n LYS 27 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1fi9 n THR 28 N -0.41 0.80 -2.30 -0.18 -1.04 -1.26 -5.03 114.28 104.86 1fi9 n THR 28 Ca 0.00 0.27 -0.41 0.00 -2.04 0.00 0.00 64.05 61.87 1fi9 n THR 28 Cb 0.00 -1.22 -0.03 0.00 -1.82 0.00 0.00 70.33 67.26 1fi9 n THR 28 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1fi9 s GLY 29 N -4.24 2.82 0.47 3.41 0.00 -0.50 -4.99 107.32 104.30 1fi9 s GLY 29 Ca 0.00 1.05 -0.24 0.00 0.00 0.00 0.00 44.72 45.54 1fi9 s GLY 29 CO 0.00 1.82 1.30 2.56 0.00 0.00 0.00 173.10 178.78 1fi9 s PRO 30 N -0.94 3.60 -0.42 2.90 0.04 -1.26 -4.58 135.00 134.33 1fi9 s PRO 30 Ca 0.50 2.11 -0.27 0.00 0.04 0.00 0.00 61.00 63.38 1fi9 s PRO 30 Cb -0.35 -2.48 -0.05 0.00 0.04 0.00 0.00 34.50 31.65 1fi9 s PRO 30 CO 0.42 -0.78 2.25 1.21 0.04 0.00 0.00 177.00 180.14 1fi9 s ASN 31 N -0.96 4.91 0.00 6.66 2.47 -1.26 -4.53 114.94 122.24 1fi9 s ASN 31 Ca 0.64 1.22 0.00 0.00 0.42 0.00 0.00 52.86 55.14 1fi9 s ASN 31 Cb -0.37 -2.51 0.00 0.00 -1.45 0.00 0.00 41.25 36.92 1fi9 s ASN 31 CO 0.45 -2.49 1.85 0.18 -3.72 0.00 0.00 177.10 173.37 1fi9 n LEU 32 N 14.00 4.95 -3.35 3.21 4.77 -1.26 -4.72 117.00 134.60 1fi9 n LEU 32 Ca 0.32 -2.23 -0.39 0.00 -0.03 0.00 0.00 56.01 53.68 1fi9 n LEU 32 Cb 0.51 -1.04 -0.03 0.00 -2.33 0.00 0.00 43.42 40.53 1fi9 n LEU 32 CO 0.69 0.93 3.30 1.57 -1.33 0.00 0.00 177.39 182.56 1fi9 n HIS 33 N 1.52 2.49 0.00 -1.77 -0.00 -1.26 -2.94 115.22 113.26 1fi9 n HIS 33 Ca 0.00 -3.04 0.00 0.00 0.46 0.00 0.00 57.72 55.14 1fi9 n HIS 33 Cb 0.47 -2.47 0.00 0.00 -0.12 0.00 0.00 29.99 27.87 1fi9 n HIS 33 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1fi9 n GLY 34 N 3.64 0.00 0.26 1.57 0.00 -1.09 -4.85 105.19 104.72 1fi9 n GLY 34 Ca 0.75 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.68 1fi9 n GLY 34 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1fi9 h LEU 35 N 0.00 -0.51 -8.02 0.99 5.85 -1.82 -3.39 115.31 108.42 1fi9 h LEU 35 Ca 0.00 0.02 -0.27 0.00 0.84 0.00 0.00 57.88 58.47 1fi9 h LEU 35 Cb 0.00 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 1fi9 h LEU 35 CO 0.00 -0.09 0.85 -0.36 -0.34 0.00 0.00 178.44 178.50 1fi9 s PHE 36 N -3.51 1.80 0.00 1.25 0.40 -1.26 -3.26 117.98 113.41 1fi9 s PHE 36 Ca -0.09 0.82 0.00 0.00 -0.60 0.00 0.00 56.93 57.07 1fi9 s PHE 36 Cb 0.01 -3.88 0.00 0.00 0.51 0.00 0.00 43.02 39.66 1fi9 s PHE 36 CO 0.26 -1.15 0.00 0.41 0.70 0.00 0.00 175.22 175.44 1fi9 n GLY 37 N 5.96 0.20 3.47 4.36 0.00 -1.25 -4.99 105.19 112.95 1fi9 n GLY 37 Ca 0.44 -0.14 -0.10 0.00 0.00 0.00 0.00 46.02 46.21 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 0.00 1.16 0.62 1.61 6.06 -1.20 -5.07 118.95 122.13 1fi9 s ARG 38 Ca 0.00 -0.45 -0.03 0.00 -2.50 0.00 0.00 55.73 52.75 1fi9 s ARG 38 Cb 0.00 0.52 0.04 0.00 0.06 0.00 0.00 34.95 35.58 1fi9 s ARG 38 CO 0.00 -0.51 0.89 0.15 -2.50 0.00 0.00 175.30 173.32 1fi9 s LYS 39 N -3.56 2.41 0.93 5.12 1.02 -1.26 -3.14 119.74 121.26 1fi9 s LYS 39 Ca 0.03 -0.50 -0.15 0.00 0.02 0.00 0.00 55.97 55.37 1fi9 s LYS 39 Cb -0.01 -2.34 0.18 0.00 -0.52 0.00 0.00 37.83 35.14 1fi9 s LYS 39 CO -0.10 -0.94 1.29 0.95 -0.92 0.00 0.00 175.35 175.62 1fi9 s THR 40 N -2.99 2.01 -1.44 2.17 -4.23 -0.64 -4.49 115.64 106.04 1fi9 s THR 40 Ca 0.58 -0.03 -0.00 0.00 -1.18 0.00 0.00 61.69 61.06 1fi9 s THR 40 Cb -0.11 -2.98 0.00 0.00 1.34 0.00 0.00 72.50 70.76 1fi9 s THR 40 CO 0.41 0.00 0.31 0.61 -0.54 0.00 0.00 174.62 175.41 1fi9 n GLY 41 N -3.66 -0.20 3.44 3.99 0.00 -1.25 -4.80 105.19 102.71 1fi9 n GLY 41 Ca 0.14 0.16 -0.16 0.00 0.00 0.00 0.00 46.02 46.16 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 -6.77 0.92 -0.13 1.61 -2.07 -1.26 -4.76 119.66 107.20 1fi9 s GLN 42 Ca 0.00 0.17 -0.30 0.00 -1.82 0.00 0.00 55.36 53.42 1fi9 s GLN 42 Cb -0.00 0.43 0.12 0.00 -1.09 0.00 0.00 33.01 32.47 1fi9 s GLN 42 CO 0.92 -0.27 0.94 0.00 -1.32 0.00 0.00 175.29 175.56 1fi9 s ALA 43 N -1.12 -1.90 -0.79 2.60 0.00 -1.26 -5.05 121.76 114.24 1fi9 s ALA 43 Ca -0.11 1.48 -0.26 0.00 0.00 0.00 0.00 51.96 53.07 1fi9 s ALA 43 Cb -0.02 -0.47 0.00 0.00 0.00 0.00 0.00 23.12 22.63 1fi9 s ALA 43 CO 0.08 -0.37 1.64 -1.25 0.00 0.00 0.00 175.76 175.86 1fi9 s PRO 44 N -1.40 2.95 -1.07 0.00 0.04 -1.26 -4.24 135.00 130.03 1fi9 s PRO 44 Ca -0.02 -0.16 -0.12 0.00 0.04 0.00 0.00 61.00 60.75 1fi9 s PRO 44 Cb -0.00 -4.67 -0.04 0.00 0.04 0.00 0.00 34.50 29.82 1fi9 s PRO 44 CO 0.01 -2.61 0.86 0.41 0.04 0.00 0.00 177.00 175.71 1fi9 n GLY 45 N 6.10 -1.11 3.12 0.56 0.00 -1.26 -5.02 105.19 107.59 1fi9 n GLY 45 Ca 0.22 0.53 -0.12 0.00 0.00 0.00 0.00 46.02 46.65 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 -3.40 -0.19 -0.69 1.61 5.36 -1.26 -5.10 117.98 114.31 1fi9 s PHE 46 Ca 0.45 0.45 -0.26 0.00 -0.96 0.00 0.00 56.93 56.60 1fi9 s PHE 46 Cb -0.10 0.06 -0.03 0.00 -0.34 0.00 0.00 43.02 42.62 1fi9 s PHE 46 CO 0.79 -0.18 1.87 0.99 -1.46 0.00 0.00 175.22 177.23 1fi9 s THR 47 N -0.28 3.39 0.77 0.12 2.01 -1.26 -4.83 115.64 115.55 1fi9 s THR 47 Ca -0.04 0.06 -0.07 0.00 0.31 0.00 0.00 61.69 61.95 1fi9 s THR 47 Cb -0.03 -3.99 0.11 0.00 0.01 0.00 0.00 72.50 68.60 1fi9 s THR 47 CO 0.01 -0.95 1.08 -0.72 -0.69 0.00 0.00 174.62 173.35 1fi9 s TYR 48 N 9.22 2.33 0.11 4.92 -0.85 -1.26 -5.06 117.35 126.76 1fi9 s TYR 48 Ca 0.67 0.26 0.04 0.00 -0.52 0.00 0.00 57.07 57.52 1fi9 s TYR 48 Cb -0.11 -3.36 -0.04 0.00 0.38 0.00 0.00 41.96 38.83 1fi9 s TYR 48 CO 0.15 -1.76 0.06 0.95 -1.52 0.00 0.00 175.55 173.44 1fi9 s THR 49 N -3.37 4.31 0.07 -3.49 -4.23 -1.26 -5.04 115.64 102.63 1fi9 s THR 49 Ca 0.65 -0.94 -0.20 0.00 -1.18 0.00 0.00 61.69 60.01 1fi9 s THR 49 Cb -0.08 -3.10 -0.11 0.00 1.34 0.00 0.00 72.50 70.55 1fi9 s THR 49 CO 0.46 0.06 1.51 -0.78 -0.54 0.00 0.00 174.62 175.34 1fi9 h ASP 50 N 3.12 0.29 -0.99 3.99 3.58 -1.99 -3.11 116.42 121.31 1fi9 h ASP 50 Ca -0.47 -0.29 0.20 0.00 0.42 0.00 0.00 57.03 56.89 1fi9 h ASP 50 Cb 1.17 -0.08 -0.11 0.00 1.72 0.00 0.00 39.33 42.04 1fi9 h ASP 50 CO 0.63 0.50 0.58 0.00 -2.88 0.00 0.00 179.24 178.08 1fi9 h ALA 51 N 0.79 1.65 -0.10 -0.78 0.00 -1.96 0.16 119.26 119.02 1fi9 h ALA 51 Ca 0.05 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1fi9 h ALA 51 Cb 0.35 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1fi9 h ALA 51 CO 0.01 -0.11 0.04 -0.97 0.00 0.00 0.00 179.25 178.23 1fi9 h ASN 52 N 0.70 0.13 -0.95 0.00 -0.73 -1.90 -2.58 115.58 110.26 1fi9 h ASN 52 Ca 0.58 -0.13 0.06 0.00 1.87 0.00 0.00 56.30 58.68 1fi9 h ASN 52 Cb 0.95 -0.03 -0.06 0.00 0.27 0.00 0.00 38.32 39.45 1fi9 h ASN 52 CO -0.41 0.23 0.62 0.50 -0.37 0.00 0.00 177.43 178.00 1fi9 h LYS 53 N 0.02 1.09 -0.04 6.67 3.64 -0.90 0.59 116.57 127.64 1fi9 h LYS 53 Ca 0.03 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1fi9 h LYS 53 Cb 0.13 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 31.71 1fi9 h LYS 53 CO -0.00 0.72 0.10 -0.97 -2.27 0.00 0.00 179.45 177.03 1fi9 h ASN 54 N 1.12 0.00 0.26 4.20 -0.73 -0.48 -2.36 115.58 117.59 1fi9 h ASN 54 Ca 0.40 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.56 1fi9 h ASN 54 Cb 0.13 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.73 1fi9 h ASN 54 CO -0.14 0.00 -0.13 0.50 -0.37 0.00 0.00 177.43 177.29 1fi9 h LYS 55 N 0.00 -0.34 -5.43 6.67 3.64 -0.49 -3.48 116.57 117.14 1fi9 h LYS 55 Ca 0.02 0.02 -0.32 0.00 -1.27 0.00 0.00 60.65 59.10 1fi9 h LYS 55 Cb 0.22 0.08 0.15 0.00 -0.41 0.00 0.00 32.23 32.27 1fi9 h LYS 55 CO -0.00 0.01 -0.70 0.41 -2.27 0.00 0.00 179.45 176.90 1fi9 n GLY 56 N -0.08 -0.34 0.76 5.01 0.00 -0.89 -5.03 105.19 104.63 1fi9 n GLY 56 Ca -0.09 0.09 -0.07 0.00 0.00 0.00 0.00 46.02 45.96 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 -4.86 -0.61 -6.64 -1.26 -4.92 119.36 96.93 1fi9 n ILE 57 Ca -0.20 -0.51 -0.32 0.00 -1.77 0.00 0.00 62.75 59.94 1fi9 n ILE 57 Cb 0.63 0.12 -0.16 0.00 -1.44 0.00 0.00 39.64 38.79 1fi9 n ILE 57 CO 0.00 0.00 0.00 0.42 -1.77 0.00 0.00 176.55 175.20 1fi9 s THR 58 N -1.48 2.24 -0.16 7.28 -4.23 -1.26 -1.61 115.64 116.41 1fi9 s THR 58 Ca 0.01 -0.94 -0.29 0.00 -1.18 0.00 0.00 61.69 59.29 1fi9 s THR 58 Cb 0.00 -1.89 -0.00 0.00 1.34 0.00 0.00 72.50 71.94 1fi9 s THR 58 CO 0.01 0.55 1.07 0.26 -0.54 0.00 0.00 174.62 175.96 1fi9 s TRP 59 N 0.60 3.33 -0.35 3.99 0.52 -1.19 -4.70 118.94 121.15 1fi9 s TRP 59 Ca -0.12 1.44 0.10 0.00 0.02 0.00 0.00 56.10 57.54 1fi9 s TRP 59 Cb -0.16 -3.28 0.35 0.00 -1.15 0.00 0.00 33.47 29.22 1fi9 s TRP 59 CO 0.03 -0.60 1.36 0.36 0.02 0.00 0.00 176.95 178.12 1fi9 n LYS 60 N 5.76 1.12 0.00 4.98 2.85 -1.26 -3.78 118.16 127.82 1fi9 n LYS 60 Ca 0.11 -1.38 0.00 0.00 -1.05 0.00 0.00 58.31 55.99 1fi9 n LYS 60 Cb 0.47 0.16 0.00 0.00 -0.65 0.00 0.00 35.03 35.01 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 -0.95 0.00 -0.34 -1.58 0.00 -1.26 -4.43 120.64 112.07 1fi9 n GLU 61 Ca -0.11 0.00 0.26 0.00 0.00 0.00 0.00 57.16 57.31 1fi9 n GLU 61 Cb 0.83 0.00 0.55 0.00 0.00 0.00 0.00 31.44 32.82 1fi9 n GLU 61 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1fi9 h GLU 62 N 0.00 0.30 0.00 5.31 5.08 -1.96 0.36 114.58 123.67 1fi9 h GLU 62 Ca 0.00 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1fi9 h GLU 62 Cb 0.00 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 1fi9 h GLU 62 CO 0.00 0.20 -0.01 1.79 -1.00 0.00 0.00 179.01 179.99 1fi9 h THR 63 N 0.31 0.05 -0.82 1.13 1.35 -1.84 -3.36 112.91 109.72 1fi9 h THR 63 Ca 0.62 -1.03 0.19 0.00 -0.55 0.00 0.00 66.41 65.64 1fi9 h THR 63 Cb 1.74 0.09 -0.05 0.00 -1.73 0.00 0.00 68.15 68.19 1fi9 h THR 63 CO -0.29 0.02 0.55 0.17 -0.25 0.00 0.00 175.52 175.72 1fi9 h LEU 64 N -1.00 0.33 -0.99 3.87 -0.00 -1.68 -2.07 115.31 113.76 1fi9 h LEU 64 Ca -0.00 0.03 0.29 0.00 -0.00 0.00 0.00 57.88 58.20 1fi9 h LEU 64 Cb 0.04 -0.04 -0.18 0.00 -0.00 0.00 0.00 40.66 40.48 1fi9 h LEU 64 CO -0.00 0.15 0.08 0.24 -0.00 0.00 0.00 178.44 178.91 1fi9 h MET 65 N 0.33 0.01 0.03 0.17 2.86 -0.47 0.21 114.93 118.07 1fi9 h MET 65 Ca 0.41 -0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.98 1fi9 h MET 65 Cb 1.10 -0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.76 1fi9 h MET 65 CO -0.12 0.00 -0.30 0.93 1.06 0.00 0.00 176.91 178.48 1fi9 h GLU 66 N 0.01 0.16 -0.81 1.72 5.08 -1.57 -3.28 114.58 115.88 1fi9 h GLU 66 Ca 0.63 -0.20 0.16 0.00 -1.00 0.00 0.00 59.36 58.95 1fi9 h GLU 66 Cb 1.36 0.07 -0.10 0.00 0.50 0.00 0.00 28.75 30.57 1fi9 h GLU 66 CO -0.91 1.00 0.36 -0.92 -1.00 0.00 0.00 179.01 177.53 1fi9 h TYR 67 N -0.59 0.61 0.00 4.33 3.20 -0.73 0.52 116.97 124.32 1fi9 h TYR 67 Ca -0.04 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1fi9 h TYR 67 Cb 1.13 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 39.25 1fi9 h TYR 67 CO 0.21 0.07 0.00 1.28 -1.64 0.00 0.00 178.16 178.08 1fi9 n LEU 68 N -4.98 0.39 -1.66 2.82 4.77 0.32 -2.98 117.00 115.68 1fi9 n LEU 68 Ca 0.17 0.57 0.02 0.00 -0.03 0.00 0.00 56.01 56.73 1fi9 n LEU 68 Cb 0.47 -0.48 0.06 0.00 -2.33 0.00 0.00 43.42 41.14 1fi9 n LEU 68 CO 0.18 -0.28 0.11 -0.62 -1.33 0.00 0.00 177.39 175.44 1fi9 n GLU 69 N -1.90 0.88 0.00 3.23 1.02 0.64 -1.26 120.64 123.26 1fi9 n GLU 69 Ca 0.04 -2.69 0.00 0.00 -0.02 0.00 0.00 57.16 54.49 1fi9 n GLU 69 Cb 0.28 -0.77 0.00 0.00 -0.02 0.00 0.00 31.44 30.93 1fi9 n GLU 69 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1fi9 n ASN 70 N -0.10 0.00 0.15 1.62 3.02 0.15 -4.87 115.26 115.24 1fi9 n ASN 70 Ca 0.11 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.79 1fi9 n ASN 70 Cb 0.98 0.00 0.50 0.00 -0.61 0.00 0.00 39.78 40.66 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 0.00 -1.48 3.52 0.13 -1.73 -2.71 132.00 129.73 1fi9 h PRO 71 Ca 0.00 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.52 1fi9 h PRO 71 Cb 0.00 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 30.73 1fi9 h PRO 71 CO 0.00 0.00 -0.44 0.36 -0.23 0.00 0.00 178.00 177.69 1fi9 n LYS 72 N -2.35 3.34 0.07 0.86 0.00 -1.26 -4.64 118.16 114.18 1fi9 n LYS 72 Ca 0.02 -4.30 0.00 0.00 -0.00 0.00 0.00 58.31 54.04 1fi9 n LYS 72 Cb 0.26 -2.26 0.00 0.00 -0.00 0.00 0.00 35.03 33.03 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 -0.53 0.00 -0.25 -1.58 4.81 -1.02 -4.79 118.16 114.80 1fi9 n LYS 73 Ca 0.42 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.92 1fi9 n LYS 73 Cb 0.64 -0.26 0.18 0.00 0.02 0.00 0.00 35.03 35.61 1fi9 n LYS 73 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 1fi9 h TYR 74 N 0.00 0.26 -2.02 5.64 0.05 -1.85 -3.41 116.97 115.64 1fi9 h TYR 74 Ca 0.00 0.04 0.06 0.00 0.05 0.00 0.00 58.73 58.88 1fi9 h TYR 74 Cb 0.14 -0.00 -0.20 0.00 1.01 0.00 0.00 36.73 37.67 1fi9 h TYR 74 CO 0.00 -0.09 -0.11 -1.50 -1.05 0.00 0.00 178.16 175.41 1fi9 s ILE 75 N -6.05 -0.80 -1.24 -2.88 2.07 -1.26 -5.04 121.20 106.00 1fi9 s ILE 75 Ca -0.13 0.01 -0.16 0.00 -1.41 0.00 0.00 60.65 58.96 1fi9 s ILE 75 Cb 0.21 -0.99 -0.04 0.00 0.13 0.00 0.00 42.46 41.78 1fi9 s ILE 75 CO 0.76 0.00 2.20 -0.81 -1.91 0.00 0.00 174.94 175.18 1fi9 n PRO 76 N 5.23 2.49 -2.68 3.50 -0.04 -1.26 -3.97 135.00 138.27 1fi9 n PRO 76 Ca -0.13 -2.27 -0.05 0.00 -0.04 0.00 0.00 63.50 61.00 1fi9 n PRO 76 Cb 0.51 -3.09 0.07 0.00 -0.04 0.00 0.00 33.50 30.95 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 4.16 -0.36 0.00 0.55 0.00 -1.26 -5.12 105.19 103.15 1fi9 n GLY 77 Ca 0.53 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.80 1fi9 n GLY 77 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1fi9 n THR 78 N -0.07 0.00 0.00 2.61 -2.24 -1.26 -4.76 114.28 108.57 1fi9 n THR 78 Ca -0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1fi9 n THR 78 Cb 0.73 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 1fi9 n THR 78 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1fi9 n LYS 79 N 0.00 2.24 -3.38 -0.78 0.00 -1.26 -5.11 118.16 109.87 1fi9 n LYS 79 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.18 1fi9 n LYS 79 Cb 0.00 -0.49 0.00 0.00 -0.00 0.00 0.00 35.03 34.54 1fi9 n LYS 79 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.40 177.28 1fi9 n MET 80 N -0.31 -1.51 0.01 -1.58 1.56 -1.26 -4.96 117.12 109.08 1fi9 n MET 80 Ca 0.00 1.22 -0.11 0.00 -0.27 0.00 0.00 57.70 58.54 1fi9 n MET 80 Cb 0.00 -4.10 -0.14 0.00 2.15 0.00 0.00 33.22 31.14 1fi9 n MET 80 CO 0.00 0.00 0.00 -0.84 -0.73 0.00 0.00 175.97 174.40 1fi9 h ILE 81 N 0.32 1.06 -1.81 1.12 3.07 -1.99 -3.50 117.51 115.79 1fi9 h ILE 81 Ca -0.30 -2.84 0.00 0.00 1.55 0.00 0.00 64.86 63.27 1fi9 h ILE 81 Cb 1.19 2.57 -0.00 0.00 -0.27 0.00 0.00 36.82 40.32 1fi9 h ILE 81 CO 0.32 0.68 0.01 2.22 -1.05 0.00 0.00 178.15 180.33 1fi9 n PHE 82 N -3.21 -0.81 0.37 0.16 -1.74 -1.26 -5.06 117.46 105.91 1fi9 n PHE 82 Ca -0.14 -0.03 -0.15 0.00 -0.56 0.00 0.00 57.45 56.57 1fi9 n PHE 82 Cb 1.03 0.02 -0.07 0.00 1.52 0.00 0.00 39.48 41.97 1fi9 n PHE 82 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1fi9 h ALA 83 N 2.00 -1.25 0.00 1.98 0.00 -1.97 -3.45 119.26 116.57 1fi9 h ALA 83 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1fi9 h ALA 83 Cb 0.03 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1fi9 h ALA 83 CO 0.01 -1.18 0.00 0.41 0.00 0.00 0.00 179.25 178.48 1fi9 n GLY 84 N -1.48 -1.89 3.51 0.00 0.00 -1.26 -4.01 105.19 100.06 1fi9 n GLY 84 Ca -0.12 -1.31 -0.32 0.00 0.00 0.00 0.00 46.02 44.27 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 4.56 0.00 -0.16 -0.61 2.08 -0.39 -4.91 119.36 119.94 1fi9 n ILE 85 Ca 0.00 -0.12 -0.02 0.00 0.56 0.00 0.00 62.75 63.16 1fi9 n ILE 85 Cb 0.00 -0.76 0.07 0.00 -0.75 0.00 0.00 39.64 38.20 1fi9 n ILE 85 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 1fi9 h LYS 86 N -1.69 0.23 -2.28 0.38 1.57 -1.97 -3.47 116.57 109.34 1fi9 h LYS 86 Ca -0.43 -0.01 0.29 0.00 -1.87 0.00 0.00 60.65 58.62 1fi9 h LYS 86 Cb 1.28 -0.05 -0.06 0.00 0.08 0.00 0.00 32.23 33.48 1fi9 h LYS 86 CO 0.37 0.15 0.81 -1.59 -0.57 0.00 0.00 179.45 178.61 1fi9 s LYS 87 N -6.14 0.67 0.25 3.15 -2.85 -1.26 -5.04 119.74 108.52 1fi9 s LYS 87 Ca -0.13 -0.44 -0.04 0.00 -1.00 0.00 0.00 55.97 54.36 1fi9 s LYS 87 Cb 0.15 0.19 0.36 0.00 -2.06 0.00 0.00 37.83 36.47 1fi9 s LYS 87 CO 0.73 -0.32 1.86 -0.22 0.10 0.00 0.00 175.35 177.50 1fi9 h LYS 88 N 2.00 0.99 -0.28 1.78 3.64 -1.99 -1.36 116.57 121.35 1fi9 h LYS 88 Ca -0.24 -0.06 0.05 0.00 -1.27 0.00 0.00 60.65 59.13 1fi9 h LYS 88 Cb 1.19 -0.22 -0.08 0.00 -0.41 0.00 0.00 32.23 32.71 1fi9 h LYS 88 CO 0.33 0.65 -0.50 1.15 -2.27 0.00 0.00 179.45 178.81 1fi9 h THR 89 N 1.02 0.05 -0.34 1.00 2.02 -1.99 0.21 112.91 114.87 1fi9 h THR 89 Ca 0.39 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.57 1fi9 h THR 89 Cb 0.19 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 66.62 1fi9 h THR 89 CO -0.18 0.00 0.22 -0.33 0.37 0.00 0.00 175.52 175.60 1fi9 h GLU 90 N -0.46 0.46 -0.57 6.66 5.08 -1.84 -1.86 114.58 122.05 1fi9 h GLU 90 Ca 0.08 -0.04 0.12 0.00 -1.00 0.00 0.00 59.36 58.52 1fi9 h GLU 90 Cb 0.63 -0.10 -0.09 0.00 0.50 0.00 0.00 28.75 29.68 1fi9 h GLU 90 CO -0.51 0.33 0.03 -0.09 -1.00 0.00 0.00 179.01 177.76 1fi9 h ARG 91 N 0.46 0.14 0.59 2.33 2.43 -0.42 0.12 114.38 120.02 1fi9 h ARG 91 Ca 0.12 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.26 1fi9 h ARG 91 Cb -0.02 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1fi9 h ARG 91 CO -0.03 0.09 -0.32 1.49 -1.51 0.00 0.00 179.97 179.70 1fi9 h GLU 92 N 0.14 -0.81 -0.50 0.20 4.22 -0.11 0.61 114.58 118.33 1fi9 h GLU 92 Ca 0.30 0.06 0.10 0.00 0.08 0.00 0.00 59.36 59.89 1fi9 h GLU 92 Cb 0.47 0.18 -0.10 0.00 0.50 0.00 0.00 28.75 29.80 1fi9 h GLU 92 CO -0.47 -0.54 -0.25 -0.44 -2.18 0.00 0.00 179.01 175.13 1fi9 h ASP 93 N -0.84 -0.86 -0.22 1.04 3.32 -0.95 0.73 116.42 118.63 1fi9 h ASP 93 Ca -0.08 0.19 0.05 0.00 0.02 0.00 0.00 57.03 57.21 1fi9 h ASP 93 Cb 0.66 0.45 -0.07 0.00 0.22 0.00 0.00 39.33 40.60 1fi9 h ASP 93 CO 0.11 -0.27 -0.41 0.25 -1.72 0.00 0.00 179.24 177.20 1fi9 h LEU 94 N -0.14 -1.31 -0.55 1.55 6.46 -0.29 -0.37 115.31 120.66 1fi9 h LEU 94 Ca 0.23 0.18 0.11 0.00 -0.12 0.00 0.00 57.88 58.28 1fi9 h LEU 94 Cb 0.50 0.55 -0.09 0.00 -0.73 0.00 0.00 40.66 40.89 1fi9 h LEU 94 CO -0.58 -0.40 0.01 0.40 -0.62 0.00 0.00 178.44 177.24 1fi9 h ILE 95 N -0.43 0.57 -0.48 4.05 5.03 -0.01 -0.51 117.51 125.73 1fi9 h ILE 95 Ca 0.10 -0.04 0.09 0.00 -0.12 0.00 0.00 64.86 64.89 1fi9 h ILE 95 Cb 0.60 0.43 -0.08 0.00 -3.03 0.00 0.00 36.82 34.75 1fi9 h ILE 95 CO -0.45 0.02 -0.01 0.00 -0.68 0.00 0.00 178.15 177.03 1fi9 h ALA 96 N 1.49 0.44 0.69 1.87 0.00 0.82 0.27 119.26 124.84 1fi9 h ALA 96 Ca 0.28 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.31 1fi9 h ALA 96 Cb 0.43 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1fi9 h ALA 96 CO -0.46 -0.39 -0.42 -0.92 0.00 0.00 0.00 179.25 177.06 1fi9 h TYR 97 N 0.10 -1.11 -0.84 0.00 3.20 -0.92 -3.28 116.97 114.13 1fi9 h TYR 97 Ca 0.24 -0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.25 1fi9 h TYR 97 Cb 0.36 0.39 -0.15 0.00 1.54 0.00 0.00 36.73 38.87 1fi9 h TYR 97 CO -0.31 -0.63 -0.31 -0.07 -1.64 0.00 0.00 178.16 175.20 1fi9 h LEU 98 N -1.04 -1.12 -0.82 2.82 3.38 0.16 0.19 115.31 118.89 1fi9 h LEU 98 Ca -0.09 0.27 0.17 0.00 0.09 0.00 0.00 57.88 58.32 1fi9 h LEU 98 Cb 0.83 0.63 -0.15 0.00 0.09 0.00 0.00 40.66 42.05 1fi9 h LEU 98 CO 0.10 -0.29 -0.15 0.11 0.09 0.00 0.00 178.44 178.30 1fi9 h LYS 99 N -0.04 0.02 0.10 1.13 1.57 -0.59 0.77 116.57 119.53 1fi9 h LYS 99 Ca 0.34 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.12 1fi9 h LYS 99 Cb 0.60 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.91 1fi9 h LYS 99 CO -0.87 0.01 -0.05 0.87 -0.57 0.00 0.00 179.45 178.84 1fi9 h LYS 100 N 0.02 -0.12 -0.61 3.15 1.79 -1.16 -3.34 116.57 116.30 1fi9 h LYS 100 Ca 0.41 0.01 0.11 0.00 -2.18 0.00 0.00 60.65 59.00 1fi9 h LYS 100 Cb 0.67 0.03 -0.12 0.00 -1.58 0.00 0.00 32.23 31.23 1fi9 h LYS 100 CO -0.81 -0.08 -0.34 0.00 -1.08 0.00 0.00 179.45 177.14 1fi9 h ALA 101 N -1.85 -0.03 -0.92 3.86 0.00 0.25 0.59 119.26 121.15 1fi9 h ALA 101 Ca -0.01 0.17 0.09 0.00 0.00 0.00 0.00 54.91 55.16 1fi9 h ALA 101 Cb 0.10 0.79 -0.07 0.00 0.00 0.00 0.00 17.79 18.61 1fi9 h ALA 101 CO 0.02 -0.67 0.57 1.79 0.00 0.00 0.00 179.25 180.96 1fi9 h THR 102 N -0.15 0.97 -0.43 0.00 1.35 -0.80 0.18 112.91 114.04 1fi9 h THR 102 Ca 0.24 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 1fi9 h THR 102 Cb 0.55 -0.08 0.00 0.00 -1.73 0.00 0.00 68.15 66.89 1fi9 h THR 102 CO -0.70 0.18 0.00 0.59 -0.25 0.00 0.00 175.52 175.34 1fi9 n ASN 103 N -4.64 3.57 0.00 5.36 3.02 0.18 -2.68 115.26 120.07 1fi9 n ASN 103 Ca 0.16 -2.38 0.00 0.00 -0.03 0.00 0.00 54.58 52.33 1fi9 n ASN 103 Cb 0.27 -0.51 0.00 0.00 -0.61 0.00 0.00 39.78 38.93 1fi9 n ASN 103 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85