#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 6.86 0.10 1.61 -1.08 -1.26 -4.71 116.67 118.19 1fi9 s ASP 2 Ca 0.00 2.12 -0.14 0.00 -0.52 0.00 0.00 52.55 54.00 1fi9 s ASP 2 Cb 0.00 -2.56 -0.11 0.00 -1.46 0.00 0.00 42.92 38.79 1fi9 s ASP 2 CO 0.00 -0.70 1.37 0.58 0.52 0.00 0.00 175.17 176.94 1fi9 h VAL 3 N 4.85 1.30 0.43 1.11 2.07 -1.86 0.26 116.25 124.41 1fi9 h VAL 3 Ca -0.38 -1.64 -0.02 0.00 0.82 0.00 0.00 66.70 65.48 1fi9 h VAL 3 Cb 1.18 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.70 1fi9 h VAL 3 CO 0.90 0.52 -0.21 -0.33 0.02 0.00 0.00 177.57 178.47 1fi9 h GLU 4 N 0.45 -0.56 -0.87 1.57 4.39 -1.93 0.14 114.58 117.77 1fi9 h GLU 4 Ca 0.01 0.04 0.06 0.00 0.34 0.00 0.00 59.36 59.82 1fi9 h GLU 4 Cb 1.04 0.13 -0.06 0.00 -0.10 0.00 0.00 28.75 29.75 1fi9 h GLU 4 CO 0.10 -0.25 0.54 0.87 -1.16 0.00 0.00 179.01 179.11 1fi9 h LYS 5 N -0.99 0.95 -0.75 2.33 1.57 -1.94 0.27 116.57 118.00 1fi9 h LYS 5 Ca -0.06 -0.06 0.15 0.00 -1.87 0.00 0.00 60.65 58.81 1fi9 h LYS 5 Cb 0.56 -0.21 -0.10 0.00 0.08 0.00 0.00 32.23 32.56 1fi9 h LYS 5 CO 0.10 0.63 0.28 0.78 -0.57 0.00 0.00 179.45 180.66 1fi9 h GLY 6 N 0.98 1.13 0.97 3.86 0.00 -0.36 0.34 103.07 109.98 1fi9 h GLY 6 Ca 0.38 -0.12 -0.03 0.00 0.00 0.00 0.00 47.33 47.56 1fi9 h GLY 6 CO -0.18 -0.12 -0.25 1.70 0.00 0.00 0.00 176.54 177.69 1fi9 h LYS 7 N 0.41 -0.67 -0.39 4.80 3.64 0.12 0.58 116.57 125.06 1fi9 h LYS 7 Ca 0.42 0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.77 1fi9 h LYS 7 Cb 0.65 0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.61 1fi9 h LYS 7 CO -0.43 -0.43 -0.05 0.87 -2.27 0.00 0.00 179.45 177.15 1fi9 h LYS 8 N -0.74 0.64 0.81 1.90 1.79 -0.29 -0.85 116.57 119.83 1fi9 h LYS 8 Ca -0.07 -0.17 -0.04 0.00 -2.18 0.00 0.00 60.65 58.19 1fi9 h LYS 8 Cb 0.55 -0.08 0.01 0.00 -1.58 0.00 0.00 32.23 31.14 1fi9 h LYS 8 CO 0.12 0.69 -0.39 0.82 -1.08 0.00 0.00 179.45 179.61 1fi9 h ILE 9 N 0.60 0.11 -0.81 1.86 2.04 -0.27 0.12 117.51 121.16 1fi9 h ILE 9 Ca 0.12 -0.14 0.20 0.00 1.00 0.00 0.00 64.86 66.04 1fi9 h ILE 9 Cb 0.45 0.13 -0.13 0.00 -0.74 0.00 0.00 36.82 36.52 1fi9 h ILE 9 CO 0.02 0.01 0.12 0.15 0.00 0.00 0.00 178.15 178.45 1fi9 h PHE 10 N -1.21 0.15 0.77 1.37 3.57 -0.49 0.33 116.94 121.44 1fi9 h PHE 10 Ca -0.11 0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.40 1fi9 h PHE 10 Cb 0.84 0.06 0.01 0.00 2.79 0.00 0.00 35.95 39.65 1fi9 h PHE 10 CO -0.00 -0.22 -0.37 0.28 -2.23 0.00 0.00 178.31 175.77 1fi9 h VAL 11 N 0.16 0.12 0.00 1.41 2.07 -1.05 0.29 116.25 119.25 1fi9 h VAL 11 Ca 0.48 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.82 1fi9 h VAL 11 Cb 0.90 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1fi9 h VAL 11 CO -0.65 0.01 0.00 1.56 0.02 0.00 0.00 177.57 178.51 1fi9 h GLN 12 N -1.19 0.00 0.00 1.57 1.08 0.59 -2.83 115.11 114.33 1fi9 h GLN 12 Ca -0.11 0.00 -0.38 0.00 -1.45 0.00 0.00 58.65 56.71 1fi9 h GLN 12 Cb 0.81 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.18 1fi9 h GLN 12 CO 0.17 0.00 -2.27 1.63 -0.95 0.00 0.00 178.83 177.42 1fi9 n LYS 13 N -2.99 0.53 -0.06 1.46 4.01 0.10 -4.93 118.16 116.29 1fi9 n LYS 13 Ca -0.02 0.23 -0.12 0.00 -0.51 0.00 0.00 58.31 57.90 1fi9 n LYS 13 Cb 0.15 -1.40 -0.05 0.00 -0.51 0.00 0.00 35.03 33.22 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 -3.34 0.00 -0.95 0.00 0.00 -0.61 -1.72 120.51 113.90 1fi9 n ALA 15 Ca -0.25 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 52.99 1fi9 n ALA 15 Cb 0.70 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.06 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 2.31 0.00 0.00 1.13 -1.26 -2.75 117.38 116.80 1fi9 n GLN 16 Ca 0.00 -1.32 0.00 0.00 -1.94 0.00 0.00 57.00 53.74 1fi9 n GLN 16 Cb 0.00 -2.25 0.00 0.00 0.11 0.00 0.00 30.24 28.10 1fi9 n GLN 16 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1fi9 s HIS 18 N -1.88 2.43 -0.13 0.00 3.76 -1.11 -2.93 115.29 115.43 1fi9 s HIS 18 Ca 0.00 -0.59 0.01 0.00 -0.15 0.00 0.00 55.06 54.32 1fi9 s HIS 18 Cb 0.00 -1.57 -0.08 0.00 1.11 0.00 0.00 32.58 32.03 1fi9 s HIS 18 CO 0.00 -0.13 -0.11 2.41 -0.85 0.00 0.00 174.74 176.05 1fi9 n THR 19 N 2.75 0.73 -1.33 1.30 -1.04 -1.26 -3.91 114.28 111.53 1fi9 n THR 19 Ca -0.17 -0.28 -0.11 0.00 -2.04 0.00 0.00 64.05 61.45 1fi9 n THR 19 Cb 0.52 -0.97 -0.05 0.00 -1.82 0.00 0.00 70.33 68.01 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 -2.89 0.00 -4.32 12.58 0.24 -1.26 -4.93 118.33 117.75 1fi9 n VAL 20 Ca -0.23 0.00 -0.20 0.00 -2.04 0.00 0.00 64.34 61.87 1fi9 n VAL 20 Cb 0.74 -1.39 -0.11 0.00 -1.47 0.00 0.00 33.84 31.61 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 -2.82 1.25 -1.09 7.34 2.12 -1.26 -4.05 118.70 120.19 1fi9 s GLU 21 Ca 0.00 -1.44 -0.22 0.00 0.36 0.00 0.00 54.97 53.67 1fi9 s GLU 21 Cb 0.00 -1.17 -0.09 0.00 0.26 0.00 0.00 34.13 33.13 1fi9 s GLU 21 CO 0.00 0.22 1.92 1.17 -0.54 0.00 0.00 175.26 178.03 1fi9 n LYS 22 N 0.09 1.75 0.00 4.30 0.00 -1.26 -1.21 118.16 121.83 1fi9 n LYS 22 Ca -0.12 -2.38 0.00 0.00 0.00 0.00 0.00 58.31 55.82 1fi9 n LYS 22 Cb 0.58 -3.47 0.00 0.00 0.00 0.00 0.00 35.03 32.14 1fi9 n LYS 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1fi9 n GLY 23 N 5.36 0.30 3.68 3.14 0.00 -1.26 -5.13 105.19 111.28 1fi9 n GLY 23 Ca 0.47 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.93 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 0.78 3.86 -0.02 0.00 -0.35 -4.93 105.19 104.52 1fi9 n GLY 24 Ca 0.00 0.88 -0.31 0.00 0.00 0.00 0.00 46.02 46.58 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 2.84 3.52 -1.39 1.61 1.02 -1.26 -4.64 119.74 121.44 1fi9 s LYS 25 Ca 0.95 0.83 -0.13 0.00 0.02 0.00 0.00 55.97 57.64 1fi9 s LYS 25 Cb -1.04 -2.07 -0.04 0.00 -0.52 0.00 0.00 37.83 34.17 1fi9 s LYS 25 CO 0.61 -0.63 2.44 0.72 -0.92 0.00 0.00 175.35 177.57 1fi9 n HIS 26 N -2.64 2.75 -1.03 3.18 8.25 -1.26 -4.42 115.22 120.05 1fi9 n HIS 26 Ca 0.06 -2.79 -0.07 0.00 -0.26 0.00 0.00 57.72 54.66 1fi9 n HIS 26 Cb 0.54 -2.36 0.05 0.00 1.12 0.00 0.00 29.99 29.34 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 5.13 -0.66 -0.28 -0.41 5.02 -1.26 -4.96 118.16 120.74 1fi9 n LYS 27 Ca 0.60 -0.44 -0.08 0.00 -2.02 0.00 0.00 58.31 56.38 1fi9 n LYS 27 Cb 0.31 -0.33 -0.04 0.00 -0.02 0.00 0.00 35.03 34.96 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 -1.36 0.05 -3.61 -0.18 2.02 -1.91 -3.37 112.91 104.55 1fi9 h THR 28 Ca -0.10 0.00 -0.51 0.00 0.77 0.00 0.00 66.41 66.57 1fi9 h THR 28 Cb 0.27 0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 66.70 1fi9 h THR 28 CO 0.07 0.00 0.26 -0.83 0.37 0.00 0.00 175.52 175.39 1fi9 s GLY 29 N -2.88 3.00 0.48 2.16 0.00 -1.15 -5.05 107.32 103.89 1fi9 s GLY 29 Ca -0.14 0.48 -0.22 0.00 0.00 0.00 0.00 44.72 44.84 1fi9 s GLY 29 CO 0.66 1.05 1.12 2.56 0.00 0.00 0.00 173.10 178.49 1fi9 s PRO 30 N -1.02 3.69 -0.57 2.90 0.04 -1.26 -4.60 135.00 134.18 1fi9 s PRO 30 Ca 0.39 1.63 -0.26 0.00 0.04 0.00 0.00 61.00 62.80 1fi9 s PRO 30 Cb -0.24 -2.25 -0.06 0.00 0.04 0.00 0.00 34.50 31.99 1fi9 s PRO 30 CO 0.29 -0.57 2.23 1.21 0.04 0.00 0.00 177.00 180.19 1fi9 s ASN 31 N -1.61 4.67 0.00 6.66 2.47 -1.26 -4.58 114.94 121.29 1fi9 s ASN 31 Ca 0.66 0.71 0.00 0.00 0.42 0.00 0.00 52.86 54.65 1fi9 s ASN 31 Cb -0.24 -2.52 0.00 0.00 -1.45 0.00 0.00 41.25 37.04 1fi9 s ASN 31 CO 0.29 -2.80 1.77 0.18 -3.72 0.00 0.00 177.10 172.82 1fi9 n LEU 32 N 15.11 4.77 -3.49 3.21 4.77 -1.26 -4.72 117.00 135.39 1fi9 n LEU 32 Ca 0.33 -2.16 -0.40 0.00 -0.03 0.00 0.00 56.01 53.75 1fi9 n LEU 32 Cb 0.53 -1.00 -0.02 0.00 -2.33 0.00 0.00 43.42 40.60 1fi9 n LEU 32 CO 0.69 0.90 3.11 1.57 -1.33 0.00 0.00 177.39 182.33 1fi9 n HIS 33 N 1.48 2.89 0.00 -1.77 -0.00 -1.26 -2.90 115.22 113.65 1fi9 n HIS 33 Ca 0.00 -3.05 0.00 0.00 0.46 0.00 0.00 57.72 55.13 1fi9 n HIS 33 Cb 0.46 -2.52 0.00 0.00 -0.12 0.00 0.00 29.99 27.81 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 3.79 -0.01 0.14 1.57 0.00 -0.73 -4.90 105.19 105.05 1fi9 n GLY 34 Ca 0.68 -0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.65 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 -0.21 -9.22 0.99 5.85 -1.76 -3.39 115.31 107.57 1fi9 h LEU 35 Ca 0.00 -0.04 -0.55 0.00 0.84 0.00 0.00 57.88 58.13 1fi9 h LEU 35 Cb 0.00 0.05 0.01 0.00 0.37 0.00 0.00 40.66 41.09 1fi9 h LEU 35 CO 0.00 0.28 1.26 -0.36 -0.34 0.00 0.00 178.44 179.28 1fi9 s PHE 36 N -2.42 1.44 0.00 1.25 0.08 -1.25 -3.04 117.98 114.03 1fi9 s PHE 36 Ca -0.05 -0.03 0.00 0.00 0.12 0.00 0.00 56.93 56.98 1fi9 s PHE 36 Cb 0.00 -4.10 0.00 0.00 -0.57 0.00 0.00 43.02 38.35 1fi9 s PHE 36 CO 0.15 -4.70 0.00 0.41 -0.10 0.00 0.00 175.22 170.98 1fi9 n GLY 37 N 4.79 1.00 2.41 4.36 0.00 -1.26 -5.01 105.19 111.47 1fi9 n GLY 37 Ca 0.22 -0.31 -0.01 0.00 0.00 0.00 0.00 46.02 45.92 1fi9 n GLY 37 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1fi9 n ARG 38 N -0.27 1.19 0.00 1.61 3.00 -1.17 -5.12 116.66 115.90 1fi9 n ARG 38 Ca 0.00 -2.41 0.00 0.00 -0.00 0.00 0.00 57.85 55.44 1fi9 n ARG 38 Cb 0.23 -0.60 0.00 0.00 0.00 0.00 0.00 32.46 32.09 1fi9 n ARG 38 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1fi9 n LYS 39 N -0.63 0.00 0.00 -0.14 4.76 -1.26 -4.25 118.16 116.63 1fi9 n LYS 39 Ca -0.03 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.41 1fi9 n LYS 39 Cb 0.87 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 34.06 1fi9 n LYS 39 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1fi9 n THR 40 N 0.00 0.00 -1.21 -0.18 -2.24 -0.01 -2.76 114.28 107.89 1fi9 n THR 40 Ca 0.00 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.43 1fi9 n THR 40 Cb 0.00 -0.83 -0.02 0.00 -2.10 0.00 0.00 70.33 67.37 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 2.98 3.84 2.60 3.38 0.00 -1.06 -4.60 105.19 112.33 1fi9 n GLY 41 Ca 0.00 -1.32 -0.24 0.00 0.00 0.00 0.00 46.02 44.46 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 2.87 0.54 0.05 1.61 -1.52 -1.26 -4.68 119.66 117.27 1fi9 s GLN 42 Ca 0.57 -1.02 0.02 0.00 -1.95 0.00 0.00 55.36 52.98 1fi9 s GLN 42 Cb 0.15 -1.03 -0.04 0.00 -0.22 0.00 0.00 33.01 31.87 1fi9 s GLN 42 CO -0.04 -1.18 0.08 0.00 -0.25 0.00 0.00 175.29 173.90 1fi9 s ALA 43 N 1.37 3.59 -0.04 6.09 0.00 -1.26 -4.86 121.76 126.64 1fi9 s ALA 43 Ca 0.16 -0.96 -0.07 0.00 0.00 0.00 0.00 51.96 51.10 1fi9 s ALA 43 Cb -0.19 -1.50 -0.04 0.00 0.00 0.00 0.00 23.12 21.40 1fi9 s ALA 43 CO -0.06 0.73 0.34 -1.00 0.00 0.00 0.00 175.76 175.78 1fi9 h PRO 44 N 3.56 -0.23 -1.59 0.00 0.13 -1.97 -3.42 132.00 128.49 1fi9 h PRO 44 Ca -0.47 0.02 -0.43 0.00 -0.87 0.00 0.00 66.00 64.24 1fi9 h PRO 44 Cb 1.17 0.05 -0.36 0.00 0.13 0.00 0.00 31.00 31.99 1fi9 h PRO 44 CO 0.65 -0.15 -1.08 0.41 -0.23 0.00 0.00 178.00 177.60 1fi9 n GLY 45 N 1.04 2.95 3.30 1.56 0.00 -1.26 -5.08 105.19 107.70 1fi9 n GLY 45 Ca -0.03 -1.38 -0.16 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.07 1.48 0.00 1.61 5.36 -1.26 -5.01 117.98 118.09 1fi9 s PHE 46 Ca 0.36 -1.19 0.00 0.00 -0.96 0.00 0.00 56.93 55.14 1fi9 s PHE 46 Cb 0.35 -0.86 0.00 0.00 -0.34 0.00 0.00 43.02 42.18 1fi9 s PHE 46 CO -0.06 -0.36 0.00 -2.37 -1.46 0.00 0.00 175.22 170.97 1fi9 n THR 47 N -0.43 0.00 -4.24 0.12 5.66 -1.26 -4.90 114.28 109.22 1fi9 n THR 47 Ca -0.00 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.86 1fi9 n THR 47 Cb 0.66 -1.36 -0.10 0.00 -1.55 0.00 0.00 70.33 67.98 1fi9 n THR 47 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 1fi9 s TYR 48 N -0.25 1.26 -0.08 1.09 2.02 -1.26 -4.83 117.35 115.30 1fi9 s TYR 48 Ca 0.00 -1.18 -0.04 0.00 -0.37 0.00 0.00 57.07 55.48 1fi9 s TYR 48 Cb 0.00 -0.70 0.04 0.00 -0.40 0.00 0.00 41.96 40.89 1fi9 s TYR 48 CO 0.00 -0.39 0.19 0.95 -1.57 0.00 0.00 175.55 174.73 1fi9 s THR 49 N -3.85 -0.04 -0.86 -0.71 -4.23 -1.26 -5.07 115.64 99.62 1fi9 s THR 49 Ca 0.32 0.15 -0.23 0.00 -1.18 0.00 0.00 61.69 60.75 1fi9 s THR 49 Cb 0.07 -0.29 -0.15 0.00 1.34 0.00 0.00 72.50 73.47 1fi9 s THR 49 CO 0.08 0.06 1.91 -0.67 -0.54 0.00 0.00 174.62 175.47 1fi9 n ASP 50 N 4.07 2.61 0.04 3.99 2.03 -1.26 -2.77 116.55 125.25 1fi9 n ASP 50 Ca -0.24 -2.68 0.00 0.00 0.52 0.00 0.00 54.79 52.39 1fi9 n ASP 50 Cb 0.53 -1.28 0.00 0.00 -0.72 0.00 0.00 41.12 39.65 1fi9 n ASP 50 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1fi9 n ALA 51 N 9.75 0.00 -0.17 -1.67 0.00 -1.26 -4.72 120.51 122.45 1fi9 n ALA 51 Ca 0.48 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.88 1fi9 n ALA 51 Cb 0.42 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.93 1fi9 n ALA 51 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1fi9 h ASN 52 N 0.00 0.35 -0.70 0.00 2.35 -1.92 0.20 115.58 115.86 1fi9 h ASN 52 Ca 0.00 0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.76 1fi9 h ASN 52 Cb 0.00 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.31 1fi9 h ASN 52 CO 0.00 0.24 0.34 0.50 -1.65 0.00 0.00 177.43 176.86 1fi9 h LYS 53 N 0.48 1.01 -0.84 0.81 3.11 -1.83 -2.76 116.57 116.55 1fi9 h LYS 53 Ca 0.23 -0.15 0.05 0.00 -2.81 0.00 0.00 60.65 57.97 1fi9 h LYS 53 Cb 0.15 -0.18 -0.05 0.00 -1.00 0.00 0.00 32.23 31.15 1fi9 h LYS 53 CO -0.17 0.80 0.55 -0.97 -2.81 0.00 0.00 179.45 176.85 1fi9 h ASN 54 N 0.98 0.85 -0.45 4.20 -0.73 -1.33 -2.67 115.58 116.42 1fi9 h ASN 54 Ca 0.24 -0.00 0.09 0.00 1.87 0.00 0.00 56.30 58.50 1fi9 h ASN 54 Cb 0.12 -0.18 -0.09 0.00 0.27 0.00 0.00 38.32 38.44 1fi9 h ASN 54 CO -0.03 0.56 -0.15 0.50 -0.37 0.00 0.00 177.43 177.94 1fi9 h LYS 55 N 0.97 -0.04 -2.49 6.67 3.64 -0.45 -3.47 116.57 121.40 1fi9 h LYS 55 Ca 0.35 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.42 1fi9 h LYS 55 Cb 0.15 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1fi9 h LYS 55 CO -0.12 -0.03 -0.41 0.41 -2.27 0.00 0.00 179.45 177.03 1fi9 n GLY 56 N -1.36 -0.27 0.22 5.01 0.00 -1.01 -4.99 105.19 102.79 1fi9 n GLY 56 Ca 0.03 -0.20 -0.02 0.00 0.00 0.00 0.00 46.02 45.84 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 -4.05 0.00 -4.90 -0.61 -5.35 -1.26 -4.97 119.36 98.21 1fi9 n ILE 57 Ca -0.17 -0.15 -0.33 0.00 -0.27 0.00 0.00 62.75 61.83 1fi9 n ILE 57 Cb 0.63 0.05 -0.14 0.00 -1.74 0.00 0.00 39.64 38.44 1fi9 n ILE 57 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1fi9 s THR 58 N -1.47 2.96 -1.04 7.28 -4.23 -1.26 -0.83 115.64 117.05 1fi9 s THR 58 Ca 0.01 -0.74 -0.22 0.00 -1.18 0.00 0.00 61.69 59.56 1fi9 s THR 58 Cb 0.00 -2.17 -0.10 0.00 1.34 0.00 0.00 72.50 71.57 1fi9 s THR 58 CO 0.01 0.57 1.93 0.79 -0.54 0.00 0.00 174.62 177.37 1fi9 n TRP 59 N 2.66 2.59 -0.08 3.99 7.02 -1.11 -4.70 117.44 127.82 1fi9 n TRP 59 Ca -0.17 -1.77 -0.12 0.00 -1.02 0.00 0.00 57.50 54.41 1fi9 n TRP 59 Cb 0.52 -2.26 -0.08 0.00 -2.42 0.00 0.00 31.31 27.07 1fi9 n TRP 59 CO 0.00 0.00 0.00 1.57 -2.02 0.00 0.00 177.69 177.24 1fi9 h LYS 60 N 8.66 0.00 0.00 -0.99 2.10 -1.92 -3.33 116.57 121.09 1fi9 h LYS 60 Ca 0.33 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.98 1fi9 h LYS 60 Cb 0.81 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.14 1fi9 h LYS 60 CO 1.56 0.62 0.00 -0.85 -2.00 0.00 0.00 179.45 178.78 1fi9 n GLU 61 N -4.60 0.00 -0.07 0.07 -0.00 -1.26 -4.96 120.64 109.83 1fi9 n GLU 61 Ca -0.14 0.00 -0.02 0.00 -0.00 0.00 0.00 57.16 57.00 1fi9 n GLU 61 Cb 0.40 0.00 -0.02 0.00 -0.00 0.00 0.00 31.44 31.83 1fi9 n GLU 61 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1fi9 n GLU 62 N 0.00 -0.07 -0.15 3.44 -0.58 -1.26 -0.07 120.64 121.95 1fi9 n GLU 62 Ca 0.00 0.64 0.04 0.00 -0.42 0.00 0.00 57.16 57.41 1fi9 n GLU 62 Cb 0.00 -0.95 0.33 0.00 -0.57 0.00 0.00 31.44 30.25 1fi9 n GLU 62 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 1fi9 h THR 63 N 0.00 1.10 -0.04 2.62 2.02 -1.95 -1.91 112.91 114.75 1fi9 h THR 63 Ca 0.03 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.93 1fi9 h THR 63 Cb 0.07 0.23 -0.00 0.00 -1.74 0.00 0.00 68.15 66.71 1fi9 h THR 63 CO -0.15 0.15 0.03 0.25 0.37 0.00 0.00 175.52 176.16 1fi9 h LEU 64 N 0.80 0.05 -0.91 2.58 6.46 -0.97 0.52 115.31 123.83 1fi9 h LEU 64 Ca 0.26 -0.01 0.22 0.00 -0.12 0.00 0.00 57.88 58.22 1fi9 h LEU 64 Cb 0.04 -0.01 -0.12 0.00 -0.73 0.00 0.00 40.66 39.84 1fi9 h LEU 64 CO -0.07 0.05 0.43 0.24 -0.62 0.00 0.00 178.44 178.46 1fi9 h MET 65 N 0.04 0.44 0.13 1.25 2.86 0.34 0.83 114.93 120.83 1fi9 h MET 65 Ca 0.01 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1fi9 h MET 65 Cb 0.01 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.57 1fi9 h MET 65 CO -0.00 0.29 -0.06 0.93 1.06 0.00 0.00 176.91 179.12 1fi9 h GLU 66 N 0.45 -0.17 -0.94 1.72 4.39 -1.34 -2.23 114.58 116.47 1fi9 h GLU 66 Ca 0.56 0.01 0.27 0.00 0.34 0.00 0.00 59.36 60.54 1fi9 h GLU 66 Cb 1.04 0.04 -0.14 0.00 -0.10 0.00 0.00 28.75 29.59 1fi9 h GLU 66 CO -0.50 0.26 0.41 -0.92 -1.16 0.00 0.00 179.01 177.09 1fi9 h TYR 67 N -0.92 0.66 0.44 4.33 3.20 0.12 0.33 116.97 125.13 1fi9 h TYR 67 Ca -0.02 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 1fi9 h TYR 67 Cb 0.51 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.64 1fi9 h TYR 67 CO 0.09 -0.16 -0.21 -0.07 -1.64 0.00 0.00 178.16 176.17 1fi9 h LEU 68 N 0.30 -0.50 -4.02 2.82 3.38 -0.99 -2.74 115.31 113.56 1fi9 h LEU 68 Ca 0.63 -0.01 -0.54 0.00 0.09 0.00 0.00 57.88 58.05 1fi9 h LEU 68 Cb 1.33 0.13 -0.22 0.00 0.09 0.00 0.00 40.66 41.99 1fi9 h LEU 68 CO -0.61 -0.08 0.66 1.21 0.09 0.00 0.00 178.44 179.72 1fi9 n GLU 69 N -5.17 2.34 0.00 1.13 0.00 -0.17 -4.08 120.64 114.69 1fi9 n GLU 69 Ca -0.08 -2.56 0.00 0.00 0.00 0.00 0.00 57.16 54.53 1fi9 n GLU 69 Cb 0.25 -2.02 0.00 0.00 0.00 0.00 0.00 31.44 29.67 1fi9 n GLU 69 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1fi9 n ASN 70 N -0.14 0.00 -0.02 4.31 3.02 0.97 -4.84 115.26 118.56 1fi9 n ASN 70 Ca 0.48 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.91 1fi9 n ASN 70 Cb 0.56 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.65 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 0.12 -2.45 3.52 0.13 -1.57 -3.33 132.00 128.43 1fi9 h PRO 71 Ca 0.00 -0.04 -0.46 0.00 -0.87 0.00 0.00 66.00 64.64 1fi9 h PRO 71 Cb 0.00 -0.01 -0.05 0.00 0.13 0.00 0.00 31.00 31.07 1fi9 h PRO 71 CO 0.00 0.39 1.60 0.36 -0.23 0.00 0.00 178.00 180.11 1fi9 n LYS 72 N -4.86 2.94 0.14 0.86 0.00 -1.26 -3.56 118.16 112.42 1fi9 n LYS 72 Ca -0.07 -1.82 0.00 0.00 -0.00 0.00 0.00 58.31 56.43 1fi9 n LYS 72 Cb 0.19 -2.38 0.00 0.00 -0.00 0.00 0.00 35.03 32.83 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 2.70 0.00 0.03 -1.58 4.76 -1.25 -5.00 118.16 117.82 1fi9 n LYS 73 Ca 0.59 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 56.02 1fi9 n LYS 73 Cb 0.56 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.74 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 -0.09 -3.04 2.13 -1.99 -1.74 -3.44 116.97 108.80 1fi9 h TYR 74 Ca 0.00 -0.00 -0.53 0.00 2.00 0.00 0.00 58.73 60.19 1fi9 h TYR 74 Cb 0.00 0.03 0.01 0.00 2.00 0.00 0.00 36.73 38.77 1fi9 h TYR 74 CO 0.00 -0.06 0.70 0.96 -0.00 0.00 0.00 178.16 179.77 1fi9 s ILE 75 N -1.93 3.63 -2.19 -2.88 -4.36 -1.26 -4.93 121.20 107.28 1fi9 s ILE 75 Ca -0.01 1.14 0.22 0.00 -0.26 0.00 0.00 60.65 61.73 1fi9 s ILE 75 Cb 0.00 -3.73 0.52 0.00 1.25 0.00 0.00 42.46 40.50 1fi9 s ILE 75 CO 0.04 0.06 1.67 -0.81 0.24 0.00 0.00 174.94 176.15 1fi9 n PRO 76 N 4.31 1.44 0.00 0.37 -0.04 -1.26 -4.84 135.00 134.97 1fi9 n PRO 76 Ca 0.11 -0.65 0.00 0.00 -0.04 0.00 0.00 63.50 62.92 1fi9 n PRO 76 Cb 0.44 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 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 1.02 1.06 5.00 0.55 0.00 -1.26 -5.06 105.19 106.50 1fi9 n GLY 77 Ca 0.16 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.46 1fi9 n GLY 77 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1fi9 n THR 78 N 0.00 0.00 0.02 2.61 -1.04 -1.26 -3.45 114.28 111.15 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 -2.26 -2.82 2.85 -1.26 -5.06 118.16 109.61 1fi9 n LYS 79 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1fi9 n LYS 79 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 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 -2.42 -4.88 -1.37 -1.58 0.00 -1.22 -5.12 117.12 100.51 1fi9 n MET 80 Ca 0.00 3.57 0.00 0.00 -0.00 0.00 0.00 57.70 61.27 1fi9 n MET 80 Cb 0.00 -4.47 0.00 0.00 0.00 0.00 0.00 33.22 28.75 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 1.72 0.00 -1.03 1.12 -5.35 -1.26 -5.09 119.36 109.47 1fi9 n ILE 81 Ca 0.00 0.00 0.14 0.00 -0.27 0.00 0.00 62.75 62.62 1fi9 n ILE 81 Cb 0.00 0.00 -0.04 0.00 -1.74 0.00 0.00 39.64 37.86 1fi9 n ILE 81 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1fi9 n PHE 82 N 0.00 -2.63 0.01 4.28 3.72 -1.26 -4.72 117.46 116.87 1fi9 n PHE 82 Ca 0.00 1.35 -0.00 0.00 -0.05 0.00 0.00 57.45 58.75 1fi9 n PHE 82 Cb 0.00 -2.39 -0.00 0.00 -0.94 0.00 0.00 39.48 36.15 1fi9 n PHE 82 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1fi9 n ALA 83 N -2.59 2.70 -3.59 4.37 0.00 -1.26 -5.03 120.51 115.11 1fi9 n ALA 83 Ca -0.01 -0.04 -0.08 0.00 0.00 0.00 0.00 53.44 53.30 1fi9 n ALA 83 Cb 0.47 0.06 -0.04 0.00 0.00 0.00 0.00 19.45 19.94 1fi9 n ALA 83 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1fi9 s GLY 84 N -3.30 -0.22 0.94 0.00 0.00 -1.26 -4.71 107.32 98.77 1fi9 s GLY 84 Ca -0.01 2.06 -0.11 0.00 0.00 0.00 0.00 44.72 46.66 1fi9 s GLY 84 CO 0.01 0.94 1.10 -0.42 0.00 0.00 0.00 173.10 174.73 1fi9 s ILE 85 N -1.38 2.43 0.24 0.90 -1.09 -1.26 -4.94 121.20 116.10 1fi9 s ILE 85 Ca 0.02 0.14 -0.16 0.00 -2.23 0.00 0.00 60.65 58.42 1fi9 s ILE 85 Cb -0.01 -2.38 0.28 0.00 -1.58 0.00 0.00 42.46 38.77 1fi9 s ILE 85 CO -0.02 -0.18 1.56 0.11 -1.23 0.00 0.00 174.94 175.18 1fi9 h LYS 86 N -1.82 -0.01 0.00 2.79 1.57 -2.00 -3.46 116.57 113.65 1fi9 h LYS 86 Ca -0.49 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.39 1fi9 h LYS 86 Cb 1.28 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.58 1fi9 h LYS 86 CO 0.49 -0.01 0.31 0.36 -0.57 0.00 0.00 179.45 180.03 1fi9 n LYS 87 N -5.50 0.25 -0.28 3.15 2.85 -1.26 -5.03 118.16 112.34 1fi9 n LYS 87 Ca 0.11 -0.61 -0.02 0.00 -1.05 0.00 0.00 58.31 56.73 1fi9 n LYS 87 Cb 0.42 0.85 0.15 0.00 -0.65 0.00 0.00 35.03 35.80 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 1.13 0.01 -1.58 2.10 -2.01 -2.87 116.57 113.36 1fi9 h LYS 88 Ca -0.12 -0.12 0.00 0.00 -2.00 0.00 0.00 60.65 58.41 1fi9 h LYS 88 Cb 0.55 -0.23 -0.00 0.00 -0.90 0.00 0.00 32.23 31.65 1fi9 h LYS 88 CO 0.16 0.82 -0.03 1.15 -2.00 0.00 0.00 179.45 179.55 1fi9 h THR 89 N 1.14 0.00 -0.78 0.07 2.02 -1.98 -0.93 112.91 112.45 1fi9 h THR 89 Ca 0.29 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.58 1fi9 h THR 89 Cb 0.01 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.29 1fi9 h THR 89 CO -0.05 0.00 -0.44 -0.33 0.37 0.00 0.00 175.52 175.07 1fi9 h GLU 90 N -0.05 -0.11 -0.90 6.66 3.07 -1.93 0.35 114.58 121.67 1fi9 h GLU 90 Ca -0.00 0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.86 1fi9 h GLU 90 Cb 0.04 0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 27.94 1fi9 h GLU 90 CO -0.02 -0.07 0.54 0.07 -1.40 0.00 0.00 179.01 178.13 1fi9 h ARG 91 N -0.12 1.23 -0.71 2.33 -0.00 -1.43 0.15 114.38 115.83 1fi9 h ARG 91 Ca 0.23 -0.11 -0.05 0.00 -0.00 0.00 0.00 59.98 60.05 1fi9 h ARG 91 Cb 0.55 -0.26 -0.03 0.00 -0.00 0.00 0.00 29.97 30.23 1fi9 h ARG 91 CO -0.82 0.86 0.25 1.49 -0.00 0.00 0.00 179.97 181.74 1fi9 h GLU 92 N 1.24 1.09 -0.29 0.08 4.81 0.46 -1.80 114.58 120.16 1fi9 h GLU 92 Ca 0.32 -0.22 -0.03 0.00 -0.13 0.00 0.00 59.36 59.31 1fi9 h GLU 92 Cb -0.05 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.16 1fi9 h GLU 92 CO -0.06 0.92 0.08 -0.44 -0.73 0.00 0.00 179.01 178.78 1fi9 h ASP 93 N 1.03 0.43 -0.41 1.04 3.32 0.12 -2.85 116.42 119.10 1fi9 h ASP 93 Ca 0.23 -0.22 0.07 0.00 0.02 0.00 0.00 57.03 57.13 1fi9 h ASP 93 Cb 0.27 -0.11 -0.09 0.00 0.22 0.00 0.00 39.33 39.61 1fi9 h ASP 93 CO -0.01 0.54 -0.42 0.25 -1.72 0.00 0.00 179.24 177.87 1fi9 h LEU 94 N 0.30 -1.42 -0.80 1.55 6.46 -0.32 0.94 115.31 122.03 1fi9 h LEU 94 Ca 0.09 0.22 0.18 0.00 -0.12 0.00 0.00 57.88 58.25 1fi9 h LEU 94 Cb 0.27 0.62 -0.11 0.00 -0.73 0.00 0.00 40.66 40.71 1fi9 h LEU 94 CO -0.00 -0.36 0.27 0.40 -0.62 0.00 0.00 178.44 178.12 1fi9 h ILE 95 N -0.32 0.51 -0.34 4.05 5.03 -1.22 0.06 117.51 125.28 1fi9 h ILE 95 Ca 0.14 -0.12 0.05 0.00 -0.12 0.00 0.00 64.86 64.81 1fi9 h ILE 95 Cb 0.58 0.14 -0.04 0.00 -3.03 0.00 0.00 36.82 34.47 1fi9 h ILE 95 CO -0.58 0.06 0.07 0.00 -0.68 0.00 0.00 178.15 177.03 1fi9 h ALA 96 N 1.64 0.37 0.91 1.87 0.00 -0.59 0.19 119.26 123.66 1fi9 h ALA 96 Ca 0.47 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.40 1fi9 h ALA 96 Cb 0.83 0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.70 1fi9 h ALA 96 CO -0.51 -0.33 -0.44 -0.92 0.00 0.00 0.00 179.25 177.05 1fi9 h TYR 97 N 0.20 -1.14 -0.88 0.00 3.20 -0.90 -3.28 116.97 114.16 1fi9 h TYR 97 Ca 0.16 -0.03 0.17 0.00 3.14 0.00 0.00 58.73 62.17 1fi9 h TYR 97 Cb 0.18 0.38 -0.16 0.00 1.54 0.00 0.00 36.73 38.66 1fi9 h TYR 97 CO -0.18 -0.71 -0.26 1.25 -1.64 0.00 0.00 178.16 176.63 1fi9 h LEU 98 N -1.29 -0.95 -0.94 2.82 5.85 -0.52 0.23 115.31 120.50 1fi9 h LEU 98 Ca -0.13 0.27 0.18 0.00 0.84 0.00 0.00 57.88 59.05 1fi9 h LEU 98 Cb 0.94 0.59 -0.17 0.00 0.37 0.00 0.00 40.66 42.39 1fi9 h LEU 98 CO 0.21 -0.29 -0.27 0.11 -0.34 0.00 0.00 178.44 177.85 1fi9 h LYS 99 N -0.02 -0.01 0.34 1.25 1.57 -0.70 0.87 116.57 119.88 1fi9 h LYS 99 Ca 0.40 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.16 1fi9 h LYS 99 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1fi9 h LYS 99 CO -0.91 -0.00 -0.16 0.87 -0.57 0.00 0.00 179.45 178.67 1fi9 h LYS 100 N -0.01 -0.44 -0.45 3.15 1.79 -0.76 -3.30 116.57 116.55 1fi9 h LYS 100 Ca 0.43 0.03 0.03 0.00 -2.18 0.00 0.00 60.65 58.96 1fi9 h LYS 100 Cb 0.67 0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 31.39 1fi9 h LYS 100 CO -0.97 -0.19 0.24 0.00 -1.08 0.00 0.00 179.45 177.45 1fi9 h ALA 101 N -0.89 0.57 0.00 3.86 0.00 0.16 0.17 119.26 123.14 1fi9 h ALA 101 Ca -0.05 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1fi9 h ALA 101 Cb 0.45 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1fi9 h ALA 101 CO 0.08 -0.09 -0.42 1.79 0.00 0.00 0.00 179.25 180.60 1fi9 h THR 102 N 0.49 1.15 0.29 0.00 1.35 -1.01 -3.18 112.91 112.00 1fi9 h THR 102 Ca 0.19 -1.51 -0.01 0.00 -0.55 0.00 0.00 66.41 64.52 1fi9 h THR 102 Cb 0.07 1.85 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 1fi9 h THR 102 CO -0.11 0.41 -0.14 -1.13 -0.25 0.00 0.00 175.52 174.30 1fi9 h ASN 103 N 0.00 -0.33 0.00 5.36 -0.73 -0.84 -1.94 115.58 117.10 1fi9 h ASN 103 Ca -0.00 -0.20 0.00 0.00 1.87 0.00 0.00 56.30 57.96 1fi9 h ASN 103 Cb 0.82 0.09 0.00 0.00 0.27 0.00 0.00 38.32 39.49 1fi9 h ASN 103 CO 0.05 0.11 0.00 -0.62 -0.37 0.00 0.00 177.43 176.60