#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p7j n PHE 8 N 0.00 2.39 -1.43 0.00 3.72 -1.26 -5.01 117.46 115.88 1p7j n PHE 8 Ca 0.00 0.46 -0.30 0.00 -0.05 0.00 0.00 57.45 57.56 1p7j n PHE 8 Cb 0.00 -2.40 0.11 0.00 -0.94 0.00 0.00 39.48 36.25 1p7j n PHE 8 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1p7j s SER 9 N -0.60 4.01 0.48 4.37 1.04 -1.26 -4.80 113.70 116.94 1p7j s SER 9 Ca 0.64 1.33 0.14 0.00 0.48 0.00 0.00 55.95 58.54 1p7j s SER 9 Cb -0.46 -2.03 1.14 0.00 0.10 0.00 0.00 66.02 64.77 1p7j s SER 9 CO 0.56 -2.28 2.09 0.77 0.98 0.00 0.00 173.24 175.35 1p7j h SER 10 N -1.30 0.18 -0.15 7.02 4.64 -1.99 -0.18 113.55 121.77 1p7j h SER 10 Ca -0.48 -0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.73 1p7j h SER 10 Cb 1.28 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1p7j h SER 10 CO 0.58 0.13 -0.33 -0.33 -0.87 0.00 0.00 176.83 176.01 1p7j h GLU 11 N 0.21 0.49 -0.73 4.77 3.07 -1.99 0.20 114.58 120.60 1p7j h GLU 11 Ca 0.11 -0.32 -0.00 0.00 -0.50 0.00 0.00 59.36 58.64 1p7j h GLU 11 Cb 0.16 0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 28.08 1p7j h GLU 11 CO -0.02 0.93 0.44 1.96 -1.40 0.00 0.00 179.01 180.93 1p7j h GLN 12 N 0.12 1.00 -0.49 2.33 4.20 -1.76 -1.89 115.11 118.62 1p7j h GLN 12 Ca 0.00 -0.09 -0.10 0.00 0.06 0.00 0.00 58.65 58.52 1p7j h GLN 12 Cb 0.93 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 28.48 1p7j h GLN 12 CO 0.07 0.70 -0.10 -0.07 -0.67 0.00 0.00 178.83 178.76 1p7j h LEU 13 N 1.00 0.94 -0.23 1.46 3.38 -0.95 -0.04 115.31 120.88 1p7j h LEU 13 Ca 0.26 -0.36 0.01 0.00 0.09 0.00 0.00 57.88 57.89 1p7j h LEU 13 Cb -0.04 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 1p7j h LEU 13 CO -0.05 1.08 0.12 0.00 0.09 0.00 0.00 178.44 179.68 1p7j h ALA 14 N 0.89 0.27 -0.12 1.53 0.00 -0.83 0.02 119.26 121.03 1p7j h ALA 14 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1p7j h ALA 14 Cb 0.66 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1p7j h ALA 14 CO 0.05 -0.28 0.07 -0.09 0.00 0.00 0.00 179.25 179.00 1p7j h ARG 15 N 0.25 0.16 -0.62 0.00 9.65 -1.10 -2.31 114.38 120.41 1p7j h ARG 15 Ca 0.09 -0.01 0.02 0.00 -1.10 0.00 0.00 59.98 58.98 1p7j h ARG 15 Cb 0.01 -0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 28.52 1p7j h ARG 15 CO -0.05 0.13 0.40 -0.07 2.80 0.00 0.00 179.97 183.17 1p7j h LEU 16 N 0.14 0.66 -0.59 3.80 3.38 -0.62 -1.51 115.31 120.58 1p7j h LEU 16 Ca 0.04 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1p7j h LEU 16 Cb 0.01 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1p7j h LEU 16 CO -0.01 0.47 0.28 0.11 0.09 0.00 0.00 178.44 179.38 1p7j h LYS 17 N 0.79 0.86 -0.40 1.13 1.57 -0.92 -0.09 116.57 119.51 1p7j h LYS 17 Ca 0.24 -0.13 -0.05 0.00 -1.87 0.00 0.00 60.65 58.84 1p7j h LYS 17 Cb -0.03 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 1p7j h LYS 17 CO -0.08 0.70 0.06 -0.09 -0.57 0.00 0.00 179.45 179.47 1p7j h ARG 18 N 0.81 0.66 -0.20 3.15 2.43 -1.12 -1.64 114.38 118.47 1p7j h ARG 18 Ca 0.20 -0.18 0.02 0.00 -0.81 0.00 0.00 59.98 59.21 1p7j h ARG 18 Cb 0.13 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 1p7j h ARG 18 CO -0.02 0.72 0.08 0.93 -1.51 0.00 0.00 179.97 180.16 1p7j h GLU 19 N 0.51 0.17 -0.68 0.20 4.39 -1.11 -1.26 114.58 116.80 1p7j h GLU 19 Ca 0.12 -0.01 0.07 0.00 0.34 0.00 0.00 59.36 59.87 1p7j h GLU 19 Cb 0.38 -0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 28.94 1p7j h GLU 19 CO 0.01 0.11 0.37 0.35 -1.16 0.00 0.00 179.01 178.69 1p7j h PHE 20 N 0.18 0.68 0.00 4.33 3.57 -0.88 0.12 116.94 124.94 1p7j h PHE 20 Ca 0.08 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.56 1p7j h PHE 20 Cb 0.04 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.57 1p7j h PHE 20 CO -0.11 0.31 -0.25 -0.91 -2.23 0.00 0.00 178.31 175.12 1p7j h ASN 21 N 0.67 0.00 -0.08 0.41 4.21 -0.87 -2.71 115.58 117.22 1p7j h ASN 21 Ca 0.31 0.00 -0.21 0.00 1.21 0.00 0.00 56.30 57.61 1p7j h ASN 21 Cb 0.22 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.43 1p7j h ASN 21 CO -0.20 0.25 -0.78 -0.33 -1.29 0.00 0.00 177.43 175.08 1p7j h GLU 22 N 0.00 0.66 -1.42 0.81 5.08 0.07 -3.45 114.58 116.34 1p7j h GLU 22 Ca -0.00 -0.61 0.05 0.00 -1.00 0.00 0.00 59.36 57.80 1p7j h GLU 22 Cb 0.46 0.15 -0.22 0.00 0.50 0.00 0.00 28.75 29.64 1p7j h GLU 22 CO 0.03 1.22 -0.26 1.21 -1.00 0.00 0.00 179.01 180.21 1p7j s ASN 23 N -7.03 -1.09 0.00 1.42 3.84 0.25 -5.04 114.94 107.28 1p7j s ASN 23 Ca -0.11 0.98 0.22 0.00 0.21 0.00 0.00 52.86 54.17 1p7j s ASN 23 Cb 0.07 2.05 1.12 0.00 -0.55 0.00 0.00 41.25 43.94 1p7j s ASN 23 CO 0.88 -0.25 1.73 0.54 -2.79 0.00 0.00 177.10 177.21 1p7j n ARG 24 N 5.43 0.30 -4.51 0.43 1.74 -1.14 -4.26 116.66 114.64 1p7j n ARG 24 Ca -0.04 0.08 -0.30 0.00 -0.77 0.00 0.00 57.85 56.81 1p7j n ARG 24 Cb 0.50 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 30.32 1p7j n ARG 24 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1p7j s TYR 25 N -2.59 2.49 -0.01 -1.55 1.51 -1.26 -4.91 117.35 111.03 1p7j s TYR 25 Ca 0.21 -0.29 -0.02 0.00 -1.01 0.00 0.00 57.07 55.96 1p7j s TYR 25 Cb 0.15 -1.38 -0.04 0.00 -0.11 0.00 0.00 41.96 40.58 1p7j s TYR 25 CO 0.34 0.30 0.12 -0.51 -1.11 0.00 0.00 175.55 174.70 1p7j s LEU 26 N -1.78 4.11 0.37 -1.29 1.43 -1.26 -5.09 118.68 115.17 1p7j s LEU 26 Ca 0.16 0.24 0.08 0.00 -1.03 0.00 0.00 54.13 53.58 1p7j s LEU 26 Cb -0.10 -2.38 -0.05 0.00 0.03 0.00 0.00 46.19 43.68 1p7j s LEU 26 CO 0.07 0.28 0.09 0.42 0.23 0.00 0.00 176.35 177.44 1p7j s THR 27 N -1.23 2.53 0.15 5.49 -4.23 -1.26 -5.00 115.64 112.09 1p7j s THR 27 Ca 0.24 -1.84 -0.16 0.00 -1.18 0.00 0.00 61.69 58.75 1p7j s THR 27 Cb -0.12 -2.91 0.02 0.00 1.34 0.00 0.00 72.50 70.83 1p7j s THR 27 CO 0.15 -0.11 1.75 1.05 -0.54 0.00 0.00 174.62 176.91 1p7j h GLU 28 N 1.63 0.25 -0.73 3.99 9.09 -1.99 -1.67 114.58 125.15 1p7j h GLU 28 Ca -0.43 -0.01 -0.01 0.00 0.05 0.00 0.00 59.36 58.95 1p7j h GLU 28 Cb 1.25 -0.06 -0.03 0.00 -1.65 0.00 0.00 28.75 28.26 1p7j h GLU 28 CO 0.68 0.16 0.41 0.00 0.05 0.00 0.00 179.01 180.31 1p7j h ARG 29 N 0.25 1.02 -0.40 1.06 2.47 -1.99 0.20 114.38 116.99 1p7j h ARG 29 Ca 0.16 -0.12 -0.14 0.00 -1.26 0.00 0.00 59.98 58.62 1p7j h ARG 29 Cb 0.14 -0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 28.25 1p7j h ARG 29 CO -0.17 0.76 -0.32 -0.09 0.56 0.00 0.00 179.97 180.71 1p7j h ARG 30 N 1.01 0.90 -0.51 0.04 2.43 -1.92 -0.60 114.38 115.73 1p7j h ARG 30 Ca 0.26 -0.43 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 1p7j h ARG 30 Cb 0.03 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 1p7j h ARG 30 CO -0.04 1.08 0.33 -0.09 -1.51 0.00 0.00 179.97 179.74 1p7j h ARG 31 N 0.76 0.68 -0.54 0.20 2.43 -0.93 0.40 114.38 117.37 1p7j h ARG 31 Ca 0.08 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 1p7j h ARG 31 Cb 0.89 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.27 1p7j h ARG 31 CO 0.08 0.46 0.17 1.96 -1.51 0.00 0.00 179.97 181.13 1p7j h GLN 32 N 0.69 0.83 -0.17 0.20 4.20 -0.68 -0.79 115.11 119.39 1p7j h GLN 32 Ca 0.19 -0.18 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 1p7j h GLN 32 Cb -0.06 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.59 1p7j h GLN 32 CO -0.04 0.76 0.06 0.37 -0.67 0.00 0.00 178.83 179.31 1p7j h GLN 33 N 0.74 0.26 -0.63 1.46 4.15 -0.80 -1.25 115.11 119.04 1p7j h GLN 33 Ca 0.17 -0.05 0.01 0.00 0.77 0.00 0.00 58.65 59.55 1p7j h GLN 33 Cb 0.27 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.89 1p7j h GLN 33 CO -0.01 0.37 0.42 -0.07 -1.93 0.00 0.00 178.83 177.61 1p7j h LEU 34 N 0.10 0.73 -0.05 -2.39 3.38 -0.82 0.61 115.31 116.87 1p7j h LEU 34 Ca 0.06 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1p7j h LEU 34 Cb 0.21 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1p7j h LEU 34 CO -0.00 0.52 0.03 -1.28 0.09 0.00 0.00 178.44 177.80 1p7j h SER 35 N 0.86 0.04 -0.25 -0.43 0.87 -1.02 0.10 113.55 113.72 1p7j h SER 35 Ca 0.23 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.79 1p7j h SER 35 Cb -0.10 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 1p7j h SER 35 CO -0.05 0.03 0.15 0.28 -0.53 0.00 0.00 176.83 176.71 1p7j h SER 36 N 0.06 0.30 1.03 6.23 0.02 -0.98 -0.54 113.55 119.66 1p7j h SER 36 Ca 0.02 -0.06 -0.14 0.00 -0.84 0.00 0.00 61.79 60.77 1p7j h SER 36 Cb -0.00 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 1p7j h SER 36 CO -0.01 0.27 -0.65 -0.33 -1.14 0.00 0.00 176.83 174.97 1p7j h GLU 37 N 0.30 0.00 0.00 3.45 5.08 -0.76 -3.29 114.58 119.36 1p7j h GLU 37 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1p7j h GLU 37 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1p7j h GLU 37 CO -0.02 0.65 -0.99 1.28 -1.00 0.00 0.00 179.01 178.94 1p7j n LEU 38 N -3.44 0.67 -1.43 1.33 4.77 0.01 -4.97 117.00 113.93 1p7j n LEU 38 Ca 0.00 -0.15 -0.10 0.00 -0.03 0.00 0.00 56.01 55.73 1p7j n LEU 38 Cb 0.73 -0.09 0.01 0.00 -2.33 0.00 0.00 43.42 41.74 1p7j n LEU 38 CO 0.42 0.12 -0.02 0.61 -1.33 0.00 0.00 177.39 177.19 1p7j n GLY 39 N 1.42 0.12 3.35 -0.72 0.00 -0.25 -5.00 105.19 104.11 1p7j n GLY 39 Ca 0.03 -0.39 -0.25 0.00 0.00 0.00 0.00 46.02 45.41 1p7j n GLY 39 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p7j s LEU 40 N -3.19 2.37 0.64 0.99 1.43 -0.97 -5.07 118.68 114.88 1p7j s LEU 40 Ca 0.12 -0.79 -0.10 0.00 -1.03 0.00 0.00 54.13 52.34 1p7j s LEU 40 Cb -0.05 -1.00 -0.01 0.00 0.03 0.00 0.00 46.19 45.16 1p7j s LEU 40 CO 0.14 0.07 1.01 0.54 0.23 0.00 0.00 176.35 178.35 1p7j s ASN 41 N -2.31 5.75 0.32 2.29 2.20 -1.26 -4.35 114.94 117.58 1p7j s ASN 41 Ca 0.14 1.10 0.01 0.00 -0.94 0.00 0.00 52.86 53.16 1p7j s ASN 41 Cb -0.08 -2.05 0.55 0.00 -2.00 0.00 0.00 41.25 37.66 1p7j s ASN 41 CO 0.06 -1.10 1.96 -0.33 -2.94 0.00 0.00 177.10 174.76 1p7j h GLU 42 N -0.39 0.88 -0.72 3.55 5.08 -1.94 -1.89 114.58 119.14 1p7j h GLU 42 Ca -0.45 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 57.76 1p7j h GLU 42 Cb 1.23 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 30.27 1p7j h GLU 42 CO 0.63 0.63 0.20 0.00 -1.00 0.00 0.00 179.01 179.46 1p7j h ALA 43 N 1.52 0.95 -0.78 3.43 0.00 -1.98 -0.83 119.26 121.58 1p7j h ALA 43 Ca 0.23 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1p7j h ALA 43 Cb -0.01 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.46 1p7j h ALA 43 CO -0.04 0.66 0.34 1.96 0.00 0.00 0.00 179.25 182.17 1p7j h GLN 44 N 1.09 1.13 -0.18 0.00 4.20 -1.74 -0.35 115.11 119.26 1p7j h GLN 44 Ca 0.23 -0.18 -0.03 0.00 0.06 0.00 0.00 58.65 58.73 1p7j h GLN 44 Cb 0.35 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 1p7j h GLN 44 CO -0.00 0.90 -0.01 0.82 -0.67 0.00 0.00 178.83 179.87 1p7j h ILE 45 N 1.11 1.26 -0.23 2.54 1.08 -0.88 -1.71 117.51 120.68 1p7j h ILE 45 Ca 0.26 -0.88 0.02 0.00 -0.39 0.00 0.00 64.86 63.88 1p7j h ILE 45 Cb 0.16 1.48 -0.02 0.00 -3.07 0.00 0.00 36.82 35.37 1p7j h ILE 45 CO -0.03 0.26 0.08 0.11 -0.69 0.00 0.00 178.15 177.89 1p7j h LYS 46 N 0.07 0.19 -0.90 2.37 1.57 -0.87 -1.40 116.57 117.60 1p7j h LYS 46 Ca 0.05 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1p7j h LYS 46 Cb 0.40 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.62 1p7j h LYS 46 CO 0.01 0.12 0.57 0.82 -0.57 0.00 0.00 179.45 180.40 1p7j h ILE 47 N 0.19 1.24 -0.40 1.86 2.04 -1.07 0.12 117.51 121.49 1p7j h ILE 47 Ca 0.10 -0.48 -0.04 0.00 1.00 0.00 0.00 64.86 65.43 1p7j h ILE 47 Cb 0.06 -0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.07 1p7j h ILE 47 CO -0.10 0.24 0.09 -0.25 0.00 0.00 0.00 178.15 178.13 1p7j h TRP 48 N 1.23 0.69 -0.57 1.37 7.01 -0.77 0.67 115.95 125.57 1p7j h TRP 48 Ca 0.33 -0.09 -0.04 0.00 2.11 0.00 0.00 58.89 61.20 1p7j h TRP 48 Cb -0.09 -0.19 -0.02 0.00 -2.10 0.00 0.00 29.16 26.75 1p7j h TRP 48 CO 0.00 0.67 0.22 0.74 -2.79 0.00 0.00 178.44 177.27 1p7j h PHE 49 N 0.51 0.89 -0.16 2.65 -1.00 -1.01 0.33 116.94 119.15 1p7j h PHE 49 Ca 0.12 -0.07 0.04 0.00 2.81 0.00 0.00 57.97 60.88 1p7j h PHE 49 Cb 0.33 -0.26 -0.05 0.00 3.61 0.00 0.00 35.95 39.58 1p7j h PHE 49 CO 0.02 0.72 -0.14 0.37 -1.61 0.00 0.00 178.31 177.67 1p7j h GLN 50 N 0.79 -0.15 -0.57 1.51 4.15 -0.36 -1.11 115.11 119.37 1p7j h GLN 50 Ca 0.19 0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.55 1p7j h GLN 50 Cb 0.22 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.92 1p7j h GLN 50 CO -0.01 -0.10 0.07 -0.91 -1.93 0.00 0.00 178.83 175.94 1p7j h ASN 51 N -0.16 0.89 -0.50 -0.69 2.35 -0.74 -2.22 115.58 114.52 1p7j h ASN 51 Ca 0.10 -0.21 -0.09 0.00 -0.55 0.00 0.00 56.30 55.56 1p7j h ASN 51 Cb 0.31 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 1p7j h ASN 51 CO -0.25 0.92 -0.03 -0.08 -1.65 0.00 0.00 177.43 176.33 1p7j h GLU 52 N 0.88 0.91 -0.47 0.81 4.57 -0.37 -0.21 114.58 120.70 1p7j h GLU 52 Ca 0.18 -0.31 -0.08 0.00 -1.18 0.00 0.00 59.36 57.97 1p7j h GLU 52 Cb 0.42 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.92 1p7j h GLU 52 CO 0.01 0.95 -0.02 0.00 -1.18 0.00 0.00 179.01 178.78 1p7j h ARG 53 N 0.77 0.78 0.00 1.92 3.08 -1.12 -2.20 114.38 117.61 1p7j h ARG 53 Ca 0.14 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 1p7j h ARG 53 Cb 0.57 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.52 1p7j h ARG 53 CO 0.03 0.80 -0.13 0.00 -1.07 0.00 0.00 179.97 179.60 1p7j h ALA 54 N 1.25 1.74 0.00 0.04 0.00 -0.73 -2.84 119.26 118.73 1p7j h ALA 54 Ca 0.14 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1p7j h ALA 54 Cb 0.47 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1p7j h ALA 54 CO 0.02 0.16 -0.49 0.87 0.00 0.00 0.00 179.25 179.81 1p7j h LYS 55 N 0.00 0.00 -2.47 0.00 1.57 -0.40 -3.29 116.57 111.98 1p7j h LYS 55 Ca -0.00 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.16 1p7j h LYS 55 Cb 0.24 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.44 1p7j h LYS 55 CO 0.02 0.49 1.89 -0.89 -0.57 0.00 0.00 179.45 180.39 1p7j n ILE 56 N -3.65 4.40 -0.91 1.86 5.41 -1.07 -5.11 119.36 120.28 1p7j n ILE 56 Ca -0.01 -3.42 0.00 0.00 1.00 0.00 0.00 62.75 60.32 1p7j n ILE 56 Cb 0.56 -2.04 0.00 0.00 -0.71 0.00 0.00 39.64 37.45 1p7j n ILE 56 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84