#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fbm n ASP 28 N 0.00 0.00 0.00 7.83 4.64 -1.26 -4.81 116.55 122.95 1fbm n ASP 28 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 1fbm n ASP 28 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.08 1fbm n ASP 28 CO 0.00 0.00 0.00 -0.11 -0.82 0.00 0.00 177.20 176.27 1fbm n LEU 29 N 0.00 0.00 -0.15 -2.67 -0.00 -1.26 -5.03 117.00 107.89 1fbm n LEU 29 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 55.89 1fbm n LEU 29 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.41 1fbm n LEU 29 CO 0.00 0.00 0.67 0.00 -0.00 0.00 0.00 177.39 178.06 1fbm h ALA 30 N 0.00 0.63 -0.87 1.96 0.00 -1.99 -2.72 119.26 116.27 1fbm h ALA 30 Ca 0.00 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.55 1fbm h ALA 30 Cb 0.00 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 1fbm h ALA 30 CO 0.00 0.59 0.57 -1.35 0.00 0.00 0.00 179.25 179.07 1fbm h PRO 31 N 0.76 1.12 -0.17 0.00 0.11 -2.00 -2.02 132.00 129.79 1fbm h PRO 31 Ca 0.10 -0.07 -0.15 0.00 0.11 0.00 0.00 66.00 66.00 1fbm h PRO 31 Cb 0.76 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 1fbm h PRO 31 CO 0.06 0.74 -0.51 1.96 -0.21 0.00 0.00 178.00 180.04 1fbm h GLN 32 N 1.16 0.49 0.00 1.05 1.08 -1.99 -3.07 115.11 113.83 1fbm h GLN 32 Ca 0.33 -0.29 -0.09 0.00 -1.45 0.00 0.00 58.65 57.15 1fbm h GLN 32 Cb -0.10 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.34 1fbm h GLN 32 CO -0.08 0.89 -0.42 0.52 -0.95 0.00 0.00 178.83 178.78 1fbm h MET 33 N 0.38 0.00 -0.29 1.46 2.86 -1.23 -2.98 114.93 115.13 1fbm h MET 33 Ca 0.01 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.51 1fbm h MET 33 Cb 1.03 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.69 1fbm h MET 33 CO 0.09 0.42 -0.39 1.25 1.06 0.00 0.00 176.91 179.34 1fbm h LEU 34 N 0.00 0.85 -0.20 1.22 5.85 -1.29 -2.98 115.31 118.77 1fbm h LEU 34 Ca -0.00 -0.50 0.04 0.00 0.84 0.00 0.00 57.88 58.26 1fbm h LEU 34 Cb 0.78 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.53 1fbm h LEU 34 CO 0.05 1.18 -0.07 -0.09 -0.34 0.00 0.00 178.44 179.18 1fbm h ARG 35 N 0.55 -0.03 0.00 1.25 9.65 -1.43 -1.26 114.38 123.10 1fbm h ARG 35 Ca 0.03 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.91 1fbm h ARG 35 Cb 0.98 0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 29.57 1fbm h ARG 35 CO 0.09 -0.02 -0.04 0.93 2.80 0.00 0.00 179.97 183.73 1fbm h GLU 36 N -0.03 0.00 0.22 0.20 3.07 -1.53 -1.41 114.58 115.11 1fbm h GLU 36 Ca 0.10 0.00 -0.33 0.00 -0.50 0.00 0.00 59.36 58.63 1fbm h GLU 36 Cb 0.18 0.00 0.03 0.00 -0.84 0.00 0.00 28.75 28.12 1fbm h GLU 36 CO -0.22 0.04 -1.48 -0.07 -1.40 0.00 0.00 179.01 175.88 1fbm h LEU 37 N 0.00 0.74 -0.82 1.33 4.07 -1.19 -1.91 115.31 117.53 1fbm h LEU 37 Ca -0.00 -0.82 -0.10 0.00 0.08 0.00 0.00 57.88 57.04 1fbm h LEU 37 Cb 0.08 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.57 1fbm h LEU 37 CO 0.01 1.65 -0.16 1.56 -1.08 0.00 0.00 178.44 180.42 1fbm h GLN 38 N 0.13 0.72 -0.33 1.13 4.20 -0.89 -1.44 115.11 118.63 1fbm h GLN 38 Ca -0.25 -0.25 -0.12 0.00 0.06 0.00 0.00 58.65 58.09 1fbm h GLN 38 Cb 2.13 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 29.84 1fbm h GLN 38 CO 0.25 0.84 -0.28 0.93 -0.67 0.00 0.00 178.83 179.90 1fbm h GLU 39 N 0.64 0.68 -0.52 1.46 5.08 -1.33 -1.27 114.58 119.33 1fbm h GLU 39 Ca 0.10 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 58.15 1fbm h GLU 39 Cb 0.63 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 1fbm h GLU 39 CO 0.04 0.89 0.23 1.15 -1.00 0.00 0.00 179.01 180.32 1fbm h THR 40 N 0.59 1.18 0.00 1.13 2.02 -0.61 -1.57 112.91 115.65 1fbm h THR 40 Ca 0.07 -0.53 -0.00 0.00 0.77 0.00 0.00 66.41 66.71 1fbm h THR 40 Cb 0.78 0.54 -0.00 0.00 -1.74 0.00 0.00 68.15 67.73 1fbm h THR 40 CO 0.06 0.22 -0.38 0.78 0.37 0.00 0.00 175.52 176.57 1fbm h ASN 41 N 0.73 0.00 0.02 4.18 -0.26 -0.96 -2.05 115.58 117.24 1fbm h ASN 41 Ca 0.18 0.00 -0.14 0.00 -0.56 0.00 0.00 56.30 55.78 1fbm h ASN 41 Cb 0.11 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.38 1fbm h ASN 41 CO -0.02 0.02 -0.56 0.00 -1.06 0.00 0.00 177.43 175.80 1fbm h ALA 42 N 1.98 0.04 0.07 -0.83 0.00 -0.81 -1.00 119.26 118.71 1fbm h ALA 42 Ca -0.00 -0.57 -0.00 0.00 0.00 0.00 0.00 54.91 54.34 1fbm h ALA 42 Cb 1.02 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1fbm h ALA 42 CO 0.00 0.31 -0.03 0.00 0.00 0.00 0.00 179.25 179.52 1fbm h ALA 43 N 0.27 -0.10 0.00 0.00 0.00 -1.37 -2.52 119.26 115.54 1fbm h ALA 43 Ca -0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1fbm h ALA 43 Cb 1.30 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 1fbm h ALA 43 CO 0.11 -0.44 -0.05 1.25 0.00 0.00 0.00 179.25 180.12 1fbm h LEU 44 N -0.33 0.00 -1.31 0.00 5.85 -1.46 -0.77 115.31 117.29 1fbm h LEU 44 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1fbm h LEU 44 Cb 0.28 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 1fbm h LEU 44 CO 0.02 0.05 0.43 -0.61 -0.34 0.00 0.00 178.44 177.99 1fbm h GLN 45 N 0.00 0.89 -0.01 1.25 4.15 -0.76 -1.89 115.11 118.75 1fbm h GLN 45 Ca -0.00 -0.06 -0.08 0.00 0.77 0.00 0.00 58.65 59.28 1fbm h GLN 45 Cb 0.10 -0.20 0.01 0.00 0.21 0.00 0.00 27.48 27.59 1fbm h GLN 45 CO 0.01 0.61 -0.30 -0.44 -1.93 0.00 0.00 178.83 176.78 1fbm h ASP 46 N 0.92 0.28 -0.62 -0.69 5.19 -0.84 -3.28 116.42 117.37 1fbm h ASP 46 Ca 0.24 -0.76 0.13 0.00 -0.62 0.00 0.00 57.03 56.03 1fbm h ASP 46 Cb -0.08 -0.08 -0.04 0.00 0.18 0.00 0.00 39.33 39.31 1fbm h ASP 46 CO -0.05 0.99 0.42 0.58 -3.12 0.00 0.00 179.24 178.07 1fbm h VAL 47 N -0.41 0.81 0.53 -1.35 2.07 -1.16 -1.45 116.25 115.29 1fbm h VAL 47 Ca -0.03 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 1fbm h VAL 47 Cb 1.03 0.52 0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1fbm h VAL 47 CO 0.06 0.05 -0.26 -0.09 0.02 0.00 0.00 177.57 177.35 1fbm h ARG 48 N 0.26 -0.69 -0.24 1.57 2.43 -1.40 -2.09 114.38 114.22 1fbm h ARG 48 Ca 0.30 0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.47 1fbm h ARG 48 Cb 0.80 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.50 1fbm h ARG 48 CO -0.07 -0.44 -0.04 0.93 -1.51 0.00 0.00 179.97 178.84 1fbm h GLU 49 N -0.77 0.37 -0.80 0.20 4.39 -1.40 -2.29 114.58 114.29 1fbm h GLU 49 Ca -0.07 -0.07 -0.05 0.00 0.34 0.00 0.00 59.36 59.51 1fbm h GLU 49 Cb 0.57 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 29.13 1fbm h GLU 49 CO 0.12 0.43 0.32 -0.07 -1.16 0.00 0.00 179.01 178.65 1fbm h LEU 50 N 0.35 1.10 -1.04 1.33 3.38 -1.13 -2.03 115.31 117.26 1fbm h LEU 50 Ca 0.08 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 1fbm h LEU 50 Cb 0.31 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1fbm h LEU 50 CO 0.01 0.97 -0.44 -0.07 0.09 0.00 0.00 178.44 179.00 1fbm h LEU 51 N 1.16 0.00 -0.69 1.67 3.38 -0.84 -0.26 115.31 119.73 1fbm h LEU 51 Ca 0.27 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.09 1fbm h LEU 51 Cb 0.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1fbm h LEU 51 CO -0.02 0.44 -0.59 0.03 0.09 0.00 0.00 178.44 178.39 1fbm h ARG 52 N 0.00 0.22 0.08 1.13 3.08 -0.95 -2.35 114.38 115.60 1fbm h ARG 52 Ca -0.00 -0.15 -0.29 0.00 0.07 0.00 0.00 59.98 59.61 1fbm h ARG 52 Cb 0.85 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.91 1fbm h ARG 52 CO 0.06 0.75 -1.46 1.96 -1.07 0.00 0.00 179.97 180.20 1fbm h GLN 53 N 0.17 0.17 -0.65 0.04 1.08 -1.23 -2.96 115.11 111.73 1fbm h GLN 53 Ca -0.00 -0.29 -0.08 0.00 -1.45 0.00 0.00 58.65 56.83 1fbm h GLN 53 Cb 1.08 0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 28.59 1fbm h GLN 53 CO 0.09 1.01 0.09 0.37 -0.95 0.00 0.00 178.83 179.43 1fbm h GLN 54 N 0.05 1.07 -0.27 1.46 4.15 -1.00 -2.31 115.11 118.26 1fbm h GLN 54 Ca -0.21 -0.29 -0.16 0.00 0.77 0.00 0.00 58.65 58.76 1fbm h GLN 54 Cb 1.97 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 29.53 1fbm h GLN 54 CO 0.14 0.99 -0.47 0.28 -1.93 0.00 0.00 178.83 177.85 1fbm h VAL 55 N 1.00 1.29 -0.54 2.39 2.07 -1.54 -1.69 116.25 119.23 1fbm h VAL 55 Ca 0.20 -1.67 0.11 0.00 0.82 0.00 0.00 66.70 66.16 1fbm h VAL 55 Cb 0.46 1.59 -0.10 0.00 -1.52 0.00 0.00 31.29 31.72 1fbm h VAL 55 CO 0.02 0.53 -0.05 0.50 0.02 0.00 0.00 177.57 178.59 1fbm h LYS 56 N 0.57 0.07 0.00 1.57 3.64 -1.25 -0.29 116.57 120.88 1fbm h LYS 56 Ca 0.03 -0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.28 1fbm h LYS 56 Cb 1.03 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.81 1fbm h LYS 56 CO 0.10 0.05 -0.76 1.05 -2.27 0.00 0.00 179.45 177.61 1fbm h GLU 57 N 0.07 0.00 -0.63 1.90 4.11 -1.40 -3.05 114.58 115.58 1fbm h GLU 57 Ca 0.27 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.63 1fbm h GLU 57 Cb 0.43 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 1fbm h GLU 57 CO -0.50 0.46 0.11 0.82 0.07 0.00 0.00 179.01 179.97 1fbm h ILE 58 N 0.00 1.25 0.00 -1.06 1.08 -0.43 -0.07 117.51 118.28 1fbm h ILE 58 Ca -0.05 -0.98 -0.08 0.00 -0.39 0.00 0.00 64.86 63.37 1fbm h ILE 58 Cb 1.44 0.65 -0.01 0.00 -3.07 0.00 0.00 36.82 35.83 1fbm h ILE 58 CO 0.06 0.37 -0.37 0.00 -0.69 0.00 0.00 178.15 177.51 1fbm h THR 59 N 0.96 0.86 0.03 -0.27 1.03 -1.11 -1.29 112.91 113.11 1fbm h THR 59 Ca 0.19 -1.54 -0.21 0.00 -0.01 0.00 0.00 66.41 64.84 1fbm h THR 59 Cb 0.40 1.95 -0.02 0.00 -1.07 0.00 0.00 68.15 69.41 1fbm h THR 59 CO 0.01 0.37 -0.99 -0.26 -0.01 0.00 0.00 175.52 174.63 1fbm h PHE 60 N 0.00 0.16 -0.05 0.00 0.05 -1.34 -2.13 116.94 113.63 1fbm h PHE 60 Ca -0.00 -0.10 -0.12 0.00 3.82 0.00 0.00 57.97 61.56 1fbm h PHE 60 Cb 0.92 -0.01 -0.01 0.00 2.00 0.00 0.00 35.95 38.85 1fbm h PHE 60 CO 0.00 1.02 -0.51 1.25 -0.18 0.00 0.00 178.31 179.89 1fbm h LEU 61 N 0.04 0.15 0.26 1.54 5.85 -0.64 -1.81 115.31 120.69 1fbm h LEU 61 Ca -0.04 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 1fbm h LEU 61 Cb 1.70 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.69 1fbm h LEU 61 CO 0.14 0.63 -0.12 0.50 -0.34 0.00 0.00 178.44 179.25 1fbm h LYS 62 N 0.11 -0.33 -0.91 1.25 3.64 -1.11 -2.94 116.57 116.27 1fbm h LYS 62 Ca 0.00 0.02 0.26 0.00 -1.27 0.00 0.00 60.65 59.67 1fbm h LYS 62 Cb 0.94 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.80 1fbm h LYS 62 CO 0.07 -0.22 0.92 -0.91 -2.27 0.00 0.00 179.45 177.05 1fbm h ASN 63 N -0.52 0.00 -0.02 4.20 4.21 -1.38 0.17 115.58 122.24 1fbm h ASN 63 Ca -0.04 0.00 -0.15 0.00 1.21 0.00 0.00 56.30 57.33 1fbm h ASN 63 Cb 0.27 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.48 1fbm h ASN 63 CO 0.06 0.00 -0.56 0.74 -1.29 0.00 0.00 177.43 176.38 1fbm h THR 64 N 0.00 1.42 0.00 2.81 2.02 -1.28 -3.23 112.91 114.66 1fbm h THR 64 Ca 0.43 -2.02 -0.02 0.00 0.77 0.00 0.00 66.41 65.57 1fbm h THR 64 Cb 2.28 2.53 -0.00 0.00 -1.74 0.00 0.00 68.15 71.22 1fbm h THR 64 CO -0.00 0.59 -0.10 0.58 0.37 0.00 0.00 175.52 176.95 1fbm h VAL 65 N -0.09 0.21 -0.11 3.16 2.07 -0.50 -3.08 116.25 117.92 1fbm h VAL 65 Ca -0.06 -0.98 -0.05 0.00 0.82 0.00 0.00 66.70 66.42 1fbm h VAL 65 Cb 1.26 1.82 -0.00 0.00 -1.52 0.00 0.00 31.29 32.85 1fbm h VAL 65 CO 0.11 0.10 -0.14 0.24 0.02 0.00 0.00 177.57 177.91 1fbm h MET 66 N 0.00 0.29 -0.66 1.57 2.07 -1.53 -3.10 114.93 113.57 1fbm h MET 66 Ca -0.00 -0.16 0.00 0.00 -2.07 0.00 0.00 59.70 57.47 1fbm h MET 66 Cb 0.81 0.01 0.00 0.00 -1.87 0.00 0.00 31.60 30.55 1fbm h MET 66 CO 0.01 0.72 0.00 0.39 1.07 0.00 0.00 176.91 179.10 1fbm n GLU 67 N -4.60 2.84 -2.64 1.72 -0.58 -1.22 -4.87 120.64 111.29 1fbm n GLU 67 Ca -0.07 -1.70 -0.43 0.00 -0.42 0.00 0.00 57.16 54.55 1fbm n GLU 67 Cb 0.36 -1.75 -0.03 0.00 -0.57 0.00 0.00 31.44 29.45 1fbm n GLU 67 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1fbm n ASP 69 N 8.04 0.00 0.01 0.00 9.92 -1.26 -0.95 116.55 132.30 1fbm n ASP 69 Ca 0.08 0.01 -0.18 0.00 -0.53 0.00 0.00 54.79 54.18 1fbm n ASP 69 Cb 0.49 -0.01 -0.14 0.00 -0.64 0.00 0.00 41.12 40.82 1fbm n ASP 69 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1fbm h ALA 70 N 1.66 0.50 -0.14 2.24 0.00 -1.94 -3.33 119.26 118.24 1fbm h ALA 70 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 54.91 53.53 1fbm h ALA 70 Cb 0.00 0.60 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1fbm h ALA 70 CO 0.00 1.36 0.00 0.00 0.00 0.00 0.00 179.25 180.61