#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fbm h ASP 28 N 0.00 0.37 -0.02 6.12 3.58 -2.09 -2.94 116.42 121.44 1fbm h ASP 28 Ca 0.00 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.49 1fbm h ASP 28 Cb 0.00 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.03 1fbm h ASP 28 CO 0.00 0.24 -0.15 0.00 -2.88 0.00 0.00 179.24 176.45 1fbm n LEU 29 N -4.89 2.68 -0.33 2.28 -0.00 -1.26 -4.57 117.00 110.90 1fbm n LEU 29 Ca 0.06 -0.92 0.13 0.00 -0.00 0.00 0.00 56.01 55.28 1fbm n LEU 29 Cb 0.18 -0.00 0.26 0.00 -0.00 0.00 0.00 43.42 43.86 1fbm n LEU 29 CO 0.27 0.46 0.80 0.00 -0.00 0.00 0.00 177.39 178.92 1fbm h ALA 30 N 4.45 1.09 -0.66 1.47 0.00 -1.97 0.10 119.26 123.74 1fbm h ALA 30 Ca 0.00 0.33 0.01 0.00 0.00 0.00 0.00 54.91 55.25 1fbm h ALA 30 Cb 0.92 0.58 -0.03 0.00 0.00 0.00 0.00 17.79 19.26 1fbm h ALA 30 CO 0.00 -0.54 0.44 -1.35 0.00 0.00 0.00 179.25 177.80 1fbm h PRO 31 N 0.03 0.88 0.00 0.00 0.11 -1.80 -2.45 132.00 128.76 1fbm h PRO 31 Ca 0.57 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.60 1fbm h PRO 31 Cb 1.13 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 32.04 1fbm h PRO 31 CO -0.89 0.59 -0.09 1.96 -0.21 0.00 0.00 178.00 179.36 1fbm h GLN 32 N 0.90 0.00 0.00 1.05 4.20 -1.12 -0.65 115.11 119.49 1fbm h GLN 32 Ca 0.24 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.86 1fbm h GLN 32 Cb -0.09 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 1fbm h GLN 32 CO -0.05 0.09 -0.43 0.52 -0.67 0.00 0.00 178.83 178.28 1fbm h MET 33 N 0.00 0.00 0.00 1.46 2.86 -1.06 -2.97 114.93 115.22 1fbm h MET 33 Ca -0.00 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.54 1fbm h MET 33 Cb 0.17 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 1fbm h MET 33 CO 0.01 0.43 -0.45 1.25 1.06 0.00 0.00 176.91 179.21 1fbm h LEU 34 N 0.00 0.00 -0.19 1.22 6.46 -0.96 -2.39 115.31 119.44 1fbm h LEU 34 Ca -0.00 0.00 -0.12 0.00 -0.12 0.00 0.00 57.88 57.64 1fbm h LEU 34 Cb 1.10 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.03 1fbm h LEU 34 CO 0.06 0.45 -0.34 0.08 -0.62 0.00 0.00 178.44 178.07 1fbm h ARG 35 N 0.00 0.57 -0.07 1.25 0.11 -1.33 -2.44 114.38 112.48 1fbm h ARG 35 Ca -0.00 -0.36 -0.00 0.00 0.10 0.00 0.00 59.98 59.71 1fbm h ARG 35 Cb 1.09 0.04 -0.00 0.00 1.11 0.00 0.00 29.97 32.20 1fbm h ARG 35 CO 0.06 0.97 0.03 0.93 0.10 0.00 0.00 179.97 182.06 1fbm h GLU 36 N 0.24 0.10 0.04 0.08 4.39 -1.51 -1.46 114.58 116.46 1fbm h GLU 36 Ca 0.01 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.72 1fbm h GLU 36 Cb 0.93 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.53 1fbm h GLU 36 CO 0.08 0.19 -0.21 -0.07 -1.16 0.00 0.00 179.01 177.84 1fbm h LEU 37 N -0.02 -0.59 -1.51 1.33 3.38 -1.48 -0.42 115.31 116.00 1fbm h LEU 37 Ca 0.02 0.08 0.14 0.00 0.09 0.00 0.00 57.88 58.21 1fbm h LEU 37 Cb 0.13 0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.06 1fbm h LEU 37 CO -0.00 -0.28 0.51 1.56 0.09 0.00 0.00 178.44 180.32 1fbm h GLN 38 N -0.35 0.48 -0.32 1.13 4.20 -1.33 0.29 115.11 119.21 1fbm h GLN 38 Ca 0.05 -0.03 -0.14 0.00 0.06 0.00 0.00 58.65 58.58 1fbm h GLN 38 Cb 0.41 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1fbm h GLN 38 CO -0.16 0.32 -0.38 1.49 -0.67 0.00 0.00 178.83 179.43 1fbm h GLU 39 N 0.49 0.76 0.00 1.46 4.81 -0.10 -1.95 114.58 120.05 1fbm h GLU 39 Ca 0.38 -0.39 -0.06 0.00 -0.13 0.00 0.00 59.36 59.16 1fbm h GLU 39 Cb 0.77 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 1fbm h GLU 39 CO -0.13 1.01 -0.29 1.79 -0.73 0.00 0.00 179.01 180.66 1fbm h THR 40 N 0.63 0.93 -0.04 0.32 1.35 0.59 -1.90 112.91 114.80 1fbm h THR 40 Ca 0.06 -1.11 -0.01 0.00 -0.55 0.00 0.00 66.41 64.80 1fbm h THR 40 Cb 0.93 1.65 -0.00 0.00 -1.73 0.00 0.00 68.15 68.99 1fbm h THR 40 CO 0.08 0.28 -0.02 0.78 -0.25 0.00 0.00 175.52 176.40 1fbm h ASN 41 N 0.00 0.08 -0.17 5.36 -0.26 -0.81 -1.05 115.58 118.72 1fbm h ASN 41 Ca -0.00 -0.42 0.03 0.00 -0.56 0.00 0.00 56.30 55.35 1fbm h ASN 41 Cb 0.63 -0.02 -0.03 0.00 -1.06 0.00 0.00 38.32 37.84 1fbm h ASN 41 CO 0.04 0.48 0.00 0.00 -1.06 0.00 0.00 177.43 176.89 1fbm h ALA 42 N 0.60 0.15 -0.36 -0.83 0.00 -1.09 -1.36 119.26 116.37 1fbm h ALA 42 Ca 0.01 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1fbm h ALA 42 Cb 0.45 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1fbm h ALA 42 CO 0.01 -0.44 0.07 0.00 0.00 0.00 0.00 179.25 178.89 1fbm h ALA 43 N 1.14 1.46 -0.73 0.00 0.00 -1.37 -1.96 119.26 117.80 1fbm h ALA 43 Ca 0.08 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1fbm h ALA 43 Cb 0.10 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1fbm h ALA 43 CO -0.13 0.40 0.24 1.25 0.00 0.00 0.00 179.25 181.00 1fbm h LEU 44 N 0.52 1.06 -0.69 0.00 6.46 -0.47 0.13 115.31 122.32 1fbm h LEU 44 Ca 0.12 -0.20 -0.03 0.00 -0.12 0.00 0.00 57.88 57.64 1fbm h LEU 44 Cb 0.22 -0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 39.84 1fbm h LEU 44 CO -0.00 0.99 0.31 1.56 -0.62 0.00 0.00 178.44 180.67 1fbm h GLN 45 N 1.08 1.02 0.36 1.25 7.50 -0.55 0.24 115.11 126.01 1fbm h GLN 45 Ca 0.24 -0.17 -0.02 0.00 0.50 0.00 0.00 58.65 59.20 1fbm h GLN 45 Cb 0.30 -0.17 0.00 0.00 0.05 0.00 0.00 27.48 27.66 1fbm h GLN 45 CO -0.01 0.82 -0.17 0.22 -1.50 0.00 0.00 178.83 178.20 1fbm h ASP 46 N 0.98 -0.40 -0.32 1.46 1.82 -0.77 0.11 116.42 119.30 1fbm h ASP 46 Ca 0.24 -0.04 0.06 0.00 -0.39 0.00 0.00 57.03 56.90 1fbm h ASP 46 Cb 0.16 0.10 -0.05 0.00 0.68 0.00 0.00 39.33 40.23 1fbm h ASP 46 CO -0.02 -0.22 -0.01 0.58 -1.61 0.00 0.00 179.24 177.95 1fbm h VAL 47 N -0.56 0.75 0.22 2.25 2.07 -0.61 -1.19 116.25 119.18 1fbm h VAL 47 Ca -0.05 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.45 1fbm h VAL 47 Cb 0.42 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 1fbm h VAL 47 CO 0.08 0.01 -0.48 -0.09 0.02 0.00 0.00 177.57 177.11 1fbm h ARG 48 N 0.07 -0.76 0.00 1.57 2.43 -0.21 -0.53 114.38 116.96 1fbm h ARG 48 Ca 0.15 0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.36 1fbm h ARG 48 Cb 0.21 0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1fbm h ARG 48 CO -0.27 -0.50 -0.07 0.93 -1.51 0.00 0.00 179.97 178.54 1fbm h GLU 49 N -0.78 0.00 -0.18 0.20 5.08 -0.66 -1.84 114.58 116.39 1fbm h GLU 49 Ca -0.01 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.20 1fbm h GLU 49 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1fbm h GLU 49 CO -0.21 0.07 -0.46 -0.07 -1.00 0.00 0.00 179.01 177.34 1fbm h LEU 50 N 0.00 0.73 -0.33 1.33 3.38 -0.64 -3.15 115.31 116.63 1fbm h LEU 50 Ca -0.00 -0.57 -0.07 0.00 0.09 0.00 0.00 57.88 57.32 1fbm h LEU 50 Cb 0.39 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1fbm h LEU 50 CO 0.01 1.17 -0.07 -0.07 0.09 0.00 0.00 178.44 179.57 1fbm h LEU 51 N 0.32 0.64 -1.74 1.67 3.38 -0.51 -0.77 115.31 118.29 1fbm h LEU 51 Ca -0.01 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1fbm h LEU 51 Cb 1.08 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1fbm h LEU 51 CO 0.10 0.85 0.00 0.08 0.09 0.00 0.00 178.44 179.56 1fbm h ARG 52 N 0.42 0.00 0.11 1.13 0.11 -1.42 0.34 114.38 115.07 1fbm h ARG 52 Ca 0.09 0.00 -0.34 0.00 0.10 0.00 0.00 59.98 59.82 1fbm h ARG 52 Cb 0.56 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.62 1fbm h ARG 52 CO 0.03 0.00 -1.86 0.37 0.10 0.00 0.00 179.97 178.61 1fbm h GLN 53 N 0.00 0.24 -0.20 0.08 5.75 -1.43 -2.89 115.11 116.66 1fbm h GLN 53 Ca 0.00 -0.40 -0.06 0.00 -0.15 0.00 0.00 58.65 58.03 1fbm h GLN 53 Cb 0.11 0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.80 1fbm h GLN 53 CO 0.00 1.19 -0.16 0.37 -2.65 0.00 0.00 178.83 177.59 1fbm h GLN 54 N -0.09 0.33 -0.04 1.69 4.15 -0.15 -0.60 115.11 120.39 1fbm h GLN 54 Ca -0.41 -0.09 -0.21 0.00 0.77 0.00 0.00 58.65 58.71 1fbm h GLN 54 Cb 1.93 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 29.58 1fbm h GLN 54 CO 0.05 0.49 -0.85 0.28 -1.93 0.00 0.00 178.83 176.86 1fbm h VAL 55 N 0.31 1.38 -0.32 2.39 2.07 -1.11 -0.77 116.25 120.19 1fbm h VAL 55 Ca 0.06 -2.28 -0.04 0.00 0.82 0.00 0.00 66.70 65.26 1fbm h VAL 55 Cb 0.46 2.26 -0.02 0.00 -1.52 0.00 0.00 31.29 32.48 1fbm h VAL 55 CO 0.03 0.69 0.04 0.50 0.02 0.00 0.00 177.57 178.84 1fbm h LYS 56 N 0.28 0.48 0.05 1.57 3.64 -1.10 -0.76 116.57 120.73 1fbm h LYS 56 Ca -0.06 -0.08 -0.09 0.00 -1.27 0.00 0.00 60.65 59.14 1fbm h LYS 56 Cb 1.47 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 33.22 1fbm h LYS 56 CO 0.15 0.48 -0.39 0.93 -2.27 0.00 0.00 179.45 178.35 1fbm h GLU 57 N 0.47 0.18 -0.15 1.90 4.39 -0.98 -3.17 114.58 117.22 1fbm h GLU 57 Ca 0.11 -0.26 -0.01 0.00 0.34 0.00 0.00 59.36 59.54 1fbm h GLU 57 Cb 0.25 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 1fbm h GLU 57 CO 0.00 1.07 0.05 0.82 -1.16 0.00 0.00 179.01 179.79 1fbm h ILE 58 N -0.58 1.07 -0.38 3.13 2.04 -1.00 -0.03 117.51 121.76 1fbm h ILE 58 Ca -0.06 -0.22 -0.05 0.00 1.00 0.00 0.00 64.86 65.52 1fbm h ILE 58 Cb 1.24 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 38.20 1fbm h ILE 58 CO 0.07 0.08 0.01 0.74 0.00 0.00 0.00 178.15 179.05 1fbm h THR 59 N 0.21 1.21 -0.05 -0.27 2.02 -1.19 -1.37 112.91 113.46 1fbm h THR 59 Ca 0.05 -0.83 -0.02 0.00 0.77 0.00 0.00 66.41 66.38 1fbm h THR 59 Cb 0.06 0.91 -0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1fbm h THR 59 CO -0.01 0.29 -0.06 0.15 0.37 0.00 0.00 175.52 176.26 1fbm h PHE 60 N 0.57 0.16 -0.94 3.16 3.57 -1.01 -2.09 116.94 120.35 1fbm h PHE 60 Ca 0.12 -0.05 0.14 0.00 3.53 0.00 0.00 57.97 61.71 1fbm h PHE 60 Cb 0.35 -0.03 -0.08 0.00 2.79 0.00 0.00 35.95 38.98 1fbm h PHE 60 CO 0.01 0.61 0.60 -0.07 -2.23 0.00 0.00 178.31 177.24 1fbm h LEU 61 N -0.34 0.77 0.02 0.59 3.38 -1.03 0.10 115.31 118.80 1fbm h LEU 61 Ca 0.01 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1fbm h LEU 61 Cb 0.59 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1fbm h LEU 61 CO 0.01 0.39 -0.01 0.50 0.09 0.00 0.00 178.44 179.42 1fbm h LYS 62 N 0.81 -0.03 -0.13 1.13 3.64 -1.18 -1.75 116.57 119.06 1fbm h LYS 62 Ca 0.48 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.86 1fbm h LYS 62 Cb 0.65 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 1fbm h LYS 62 CO -0.24 0.35 0.07 -0.91 -2.27 0.00 0.00 179.45 176.45 1fbm h ASN 63 N -0.41 0.15 -0.04 4.20 4.21 -0.62 -2.42 115.58 120.66 1fbm h ASN 63 Ca -0.00 -0.01 -0.08 0.00 1.21 0.00 0.00 56.30 57.43 1fbm h ASN 63 Cb 0.39 -0.04 0.00 0.00 -1.12 0.00 0.00 38.32 37.55 1fbm h ASN 63 CO 0.00 0.13 -0.27 0.74 -1.29 0.00 0.00 177.43 176.74 1fbm h THR 64 N 0.18 1.47 0.00 2.81 2.02 -0.68 -2.80 112.91 115.90 1fbm h THR 64 Ca 0.05 -1.76 -0.03 0.00 0.77 0.00 0.00 66.41 65.43 1fbm h THR 64 Cb 0.01 2.47 -0.00 0.00 -1.74 0.00 0.00 68.15 68.89 1fbm h THR 64 CO -0.01 0.49 -0.17 0.58 0.37 0.00 0.00 175.52 176.79 1fbm h VAL 65 N -0.31 1.07 0.00 3.16 2.07 -1.15 -0.04 116.25 121.06 1fbm h VAL 65 Ca -0.02 -0.57 -0.08 0.00 0.82 0.00 0.00 66.70 66.85 1fbm h VAL 65 Cb 0.95 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 1fbm h VAL 65 CO 0.05 0.16 -0.36 0.24 0.02 0.00 0.00 177.57 177.68 1fbm h MET 66 N 0.00 0.00 -0.59 1.57 2.07 -1.43 -2.80 114.93 113.75 1fbm h MET 66 Ca -0.00 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.63 1fbm h MET 66 Cb 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.03 1fbm h MET 66 CO 0.02 0.36 0.00 0.39 1.07 0.00 0.00 176.91 178.76 1fbm n GLU 67 N -3.58 2.59 -2.71 1.72 1.02 -0.07 -4.92 120.64 114.68 1fbm n GLU 67 Ca -0.00 -2.11 -0.42 0.00 -0.02 0.00 0.00 57.16 54.60 1fbm n GLU 67 Cb 0.49 -1.55 -0.03 0.00 -0.02 0.00 0.00 31.44 30.33 1fbm n GLU 67 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1fbm h ASP 69 N 7.03 0.00 -0.73 0.00 3.32 -1.91 -3.20 116.42 120.93 1fbm h ASP 69 Ca -0.33 0.00 0.02 0.00 0.02 0.00 0.00 57.03 56.74 1fbm h ASP 69 Cb 1.16 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.68 1fbm h ASP 69 CO 0.83 0.30 0.48 0.00 -1.72 0.00 0.00 179.24 179.13 1fbm h ALA 70 N 1.70 1.53 -0.11 3.45 0.00 -1.97 -2.78 119.26 121.09 1fbm h ALA 70 Ca -0.00 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1fbm h ALA 70 Cb 0.98 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1fbm h ALA 70 CO 0.04 0.41 -0.33 0.00 0.00 0.00 0.00 179.25 179.37