#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgu n LYS 2 N 0.00 -0.39 -1.46 2.12 4.81 -1.26 -4.80 118.16 117.19 2hgu n LYS 2 Ca 0.00 0.68 -0.21 0.00 -0.87 0.00 0.00 58.31 57.91 2hgu n LYS 2 Cb 0.00 -4.42 -0.22 0.00 0.02 0.00 0.00 35.03 30.41 2hgu n LYS 2 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2hgu n ARG 3 N -2.79 0.00 0.00 1.64 3.00 -1.26 -4.07 116.66 113.18 2hgu n ARG 3 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.78 2hgu n ARG 3 Cb 0.20 -0.98 0.00 0.00 0.00 0.00 0.00 32.46 31.68 2hgu n ARG 3 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 2hgu n THR 4 N 5.35 0.00 0.00 0.55 -2.24 -1.26 -4.34 114.28 112.34 2hgu n THR 4 Ca 0.65 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.43 2hgu n THR 4 Cb 0.14 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 2hgu n THR 4 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 2hgu n TRP 5 N 0.00 0.00 -3.12 4.78 -0.00 -1.26 -5.06 117.44 112.78 2hgu n TRP 5 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 57.50 57.29 2hgu n TRP 5 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 31.31 31.33 2hgu n TRP 5 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 177.69 178.73 2hgu n GLN 6 N 0.00 -2.19 -1.88 5.87 1.13 -1.26 -4.79 117.38 114.26 2hgu n GLN 6 Ca 0.00 1.84 -0.42 0.00 -1.94 0.00 0.00 57.00 56.48 2hgu n GLN 6 Cb 0.00 -4.10 -0.03 0.00 0.11 0.00 0.00 30.24 26.22 2hgu n GLN 6 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 2hgu s PRO 7 N -2.49 4.19 -0.41 -1.09 0.04 -1.26 -4.97 135.00 129.00 2hgu s PRO 7 Ca 0.30 2.43 -0.14 0.00 0.04 0.00 0.00 61.00 63.62 2hgu s PRO 7 Cb -0.05 -3.21 0.03 0.00 0.04 0.00 0.00 34.50 31.30 2hgu s PRO 7 CO 0.80 -0.67 0.29 1.21 0.04 0.00 0.00 177.00 178.67 2hgu s ASN 8 N 1.39 5.99 0.11 6.66 3.04 -1.26 -4.92 114.94 125.95 2hgu s ASN 8 Ca 0.72 -1.01 -0.21 0.00 0.04 0.00 0.00 52.86 52.40 2hgu s ASN 8 Cb -0.45 -2.12 -0.05 0.00 -1.54 0.00 0.00 41.25 37.10 2hgu s ASN 8 CO 0.32 -0.46 1.36 0.03 -3.04 0.00 0.00 177.10 175.31 2hgu h ARG 9 N 8.58 -0.01 0.00 0.43 3.08 -1.98 0.63 114.38 125.10 2hgu h ARG 9 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.79 2hgu h ARG 9 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.17 2hgu h ARG 9 CO 0.73 -0.01 0.00 0.54 -1.07 0.00 0.00 179.97 180.16 2hgu n ARG 10 N -4.52 0.00 0.00 0.04 1.74 -1.26 -1.46 116.66 111.20 2hgu n ARG 10 Ca 0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 2hgu n ARG 10 Cb 0.18 -0.01 0.00 0.00 -1.02 0.00 0.00 32.46 31.60 2hgu n ARG 10 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2hgu n LYS 11 N 0.00 0.00 0.05 5.56 3.00 -1.17 -0.77 118.16 124.84 2hgu n LYS 11 Ca 0.00 0.17 -0.12 0.00 -0.00 0.00 0.00 58.31 58.36 2hgu n LYS 11 Cb 0.00 -0.27 -0.05 0.00 0.00 0.00 0.00 35.03 34.71 2hgu n LYS 11 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 2hgu h ARG 12 N 0.00 -0.44 -0.38 1.64 2.43 -0.96 0.24 114.38 116.91 2hgu h ARG 12 Ca 0.00 0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.28 2hgu h ARG 12 Cb 0.00 0.10 -0.08 0.00 -0.42 0.00 0.00 29.97 29.57 2hgu h ARG 12 CO 0.00 -0.29 -0.17 0.00 -1.51 0.00 0.00 179.97 178.00 2hgu h ALA 13 N 0.30 0.12 -3.00 2.80 0.00 -0.26 -0.88 119.26 118.34 2hgu h ALA 13 Ca 0.07 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2hgu h ALA 13 Cb 0.55 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2hgu h ALA 13 CO -0.27 -0.54 0.00 1.63 0.00 0.00 0.00 179.25 180.07 2hgu n LYS 14 N -5.35 0.00 -0.24 0.00 5.02 0.41 -2.45 118.16 115.55 2hgu n LYS 14 Ca 0.02 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.34 2hgu n LYS 14 Cb 0.26 -0.46 0.08 0.00 -0.02 0.00 0.00 35.03 34.90 2hgu n LYS 14 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2hgu n THR 15 N 0.00 -0.29 -4.13 -0.18 -2.24 0.54 -4.08 114.28 103.90 2hgu n THR 15 Ca 0.00 1.51 -0.34 0.00 -2.27 0.00 0.00 64.05 62.95 2hgu n THR 15 Cb 0.00 -2.07 -0.11 0.00 -2.10 0.00 0.00 70.33 66.06 2hgu n THR 15 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2hgu s HIS 16 N -5.78 3.17 0.00 4.78 3.76 -0.35 -4.82 115.29 116.06 2hgu s HIS 16 Ca -0.10 -0.06 0.00 0.00 -0.15 0.00 0.00 55.06 54.76 2hgu s HIS 16 Cb 0.17 -2.04 0.00 0.00 1.11 0.00 0.00 32.58 31.82 2hgu s HIS 16 CO 0.50 0.09 0.00 0.41 -0.85 0.00 0.00 174.74 174.89 2hgu n GLY 17 N 3.55 1.03 0.00 -2.22 0.00 -1.26 -4.56 105.19 101.73 2hgu n GLY 17 Ca -0.17 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 44.94 2hgu n GLY 17 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2hgu n PHE 18 N -0.37 0.00 -0.26 1.61 3.01 -1.26 -0.53 117.46 119.66 2hgu n PHE 18 Ca 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.40 2hgu n PHE 18 Cb 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.42 2hgu n PHE 18 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2hgu n ARG 19 N -0.36 -0.25 0.00 -1.08 3.00 -1.26 -0.91 116.66 115.80 2hgu n ARG 19 Ca 0.00 0.93 0.00 0.00 -0.01 0.00 0.00 57.85 58.77 2hgu n ARG 19 Cb 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 32.46 31.09 2hgu n ARG 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2hgu n ALA 20 N -3.56 0.00 0.24 7.54 0.00 0.31 0.56 120.51 125.60 2hgu n ALA 20 Ca 0.02 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.53 2hgu n ALA 20 Cb 0.17 0.14 0.60 0.00 0.00 0.00 0.00 19.45 20.35 2hgu n ALA 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hgu h ARG 21 N 0.00 0.02 -0.06 0.00 3.08 0.18 -2.08 114.38 115.51 2hgu h ARG 21 Ca 0.00 -0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.06 2hgu h ARG 21 Cb 0.00 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 2hgu h ARG 21 CO 0.00 0.06 -0.11 1.98 -1.07 0.00 0.00 179.97 180.83 2hgu h MET 22 N 0.02 -0.09 -0.51 0.04 4.05 0.17 0.25 114.93 118.86 2hgu h MET 22 Ca 0.00 0.01 0.05 0.00 -0.28 0.00 0.00 59.70 59.48 2hgu h MET 22 Cb 0.08 0.02 -0.06 0.00 -0.80 0.00 0.00 31.60 30.84 2hgu h MET 22 CO 0.01 -0.06 -0.30 0.54 0.23 0.00 0.00 176.91 177.33 2hgu n ARG 23 N -3.20 -0.23 -2.46 0.39 1.74 -0.07 -3.74 116.66 109.09 2hgu n ARG 23 Ca -0.01 0.87 -0.37 0.00 -0.77 0.00 0.00 57.85 57.57 2hgu n ARG 23 Cb 0.07 -1.28 -0.03 0.00 -1.02 0.00 0.00 32.46 30.20 2hgu n ARG 23 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2hgu s THR 24 N -4.94 3.52 0.07 0.55 -1.32 -1.11 -4.93 115.64 107.49 2hgu s THR 24 Ca -0.06 1.19 -0.37 0.00 -1.21 0.00 0.00 61.69 61.24 2hgu s THR 24 Cb 0.06 -3.63 -0.20 0.00 -1.51 0.00 0.00 72.50 67.22 2hgu s THR 24 CO 0.32 0.03 1.57 1.55 -2.21 0.00 0.00 174.62 175.88 2hgu h PRO 25 N 2.50 -1.20 -0.85 7.08 0.13 -1.82 -0.68 132.00 137.16 2hgu h PRO 25 Ca -0.48 0.08 0.14 0.00 -0.87 0.00 0.00 66.00 64.87 2hgu h PRO 25 Cb 1.22 0.27 -0.09 0.00 0.13 0.00 0.00 31.00 32.53 2hgu h PRO 25 CO 0.62 -0.80 0.44 0.78 -0.23 0.00 0.00 178.00 178.81 2hgu h GLY 26 N -1.25 1.38 0.00 1.56 0.00 -1.92 -0.65 103.07 102.19 2hgu h GLY 26 Ca -0.12 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 46.95 2hgu h GLY 26 CO 0.14 -0.02 0.00 0.61 0.00 0.00 0.00 176.54 177.27 2hgu n GLY 27 N -1.32 -2.73 0.25 4.60 0.00 -1.06 -0.96 105.19 103.97 2hgu n GLY 27 Ca 0.17 0.19 -0.04 0.00 0.00 0.00 0.00 46.02 46.34 2hgu n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hgu n ARG 28 N -2.08 -0.21 -0.01 1.61 1.74 0.86 -0.78 116.66 117.79 2hgu n ARG 28 Ca 0.00 0.97 -0.01 0.00 -0.77 0.00 0.00 57.85 58.04 2hgu n ARG 28 Cb 0.00 -1.43 -0.01 0.00 -1.02 0.00 0.00 32.46 30.01 2hgu n ARG 28 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2hgu h LYS 29 N 0.00 -0.02 -0.74 5.56 1.57 -0.59 0.22 116.57 122.57 2hgu h LYS 29 Ca 0.16 0.00 0.17 0.00 -1.87 0.00 0.00 60.65 59.12 2hgu h LYS 29 Cb 0.32 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.59 2hgu h LYS 29 CO -0.61 -0.01 0.51 0.28 -0.57 0.00 0.00 179.45 179.04 2hgu h VAL 30 N -0.02 0.73 -0.00 0.50 2.07 0.88 0.75 116.25 121.16 2hgu h VAL 30 Ca 0.00 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.44 2hgu h VAL 30 Cb 0.03 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 2hgu h VAL 30 CO -0.03 0.05 -0.12 -0.07 0.02 0.00 0.00 177.57 177.42 2hgu h LEU 31 N 0.25 -0.36 -0.19 2.57 3.38 0.13 0.25 115.31 121.34 2hgu h LEU 31 Ca 0.37 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.40 2hgu h LEU 31 Cb 1.07 0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.92 2hgu h LEU 31 CO -0.08 -0.11 -0.21 0.11 0.09 0.00 0.00 178.44 178.23 2hgu h LYS 32 N -0.14 -0.12 -0.90 1.13 1.57 0.60 0.61 116.57 119.32 2hgu h LYS 32 Ca 0.00 0.01 0.10 0.00 -1.87 0.00 0.00 60.65 58.89 2hgu h LYS 32 Cb 0.15 0.03 -0.12 0.00 0.08 0.00 0.00 32.23 32.37 2hgu h LYS 32 CO -0.08 -0.08 -0.48 -2.13 -0.57 0.00 0.00 179.45 176.11 2hgu n ARG 33 N -3.73 -0.34 0.00 3.15 0.63 -0.31 -1.26 116.66 114.80 2hgu n ARG 33 Ca -0.01 1.37 0.00 0.00 -0.92 0.00 0.00 57.85 58.29 2hgu n ARG 33 Cb 0.12 -2.02 0.00 0.00 0.45 0.00 0.00 32.46 31.02 2hgu n ARG 33 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2hgu n ARG 34 N -5.18 0.00 -0.02 -0.14 5.12 0.07 -0.53 116.66 115.98 2hgu n ARG 34 Ca 0.04 0.02 -0.00 0.00 -1.93 0.00 0.00 57.85 55.97 2hgu n ARG 34 Cb 0.27 -0.67 -0.00 0.00 -1.16 0.00 0.00 32.46 30.90 2hgu n ARG 34 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2hgu n ARG 35 N -0.18 -0.02 0.01 5.56 1.74 0.13 -0.17 116.66 123.73 2hgu n ARG 35 Ca 0.00 0.09 -0.00 0.00 -0.77 0.00 0.00 57.85 57.16 2hgu n ARG 35 Cb 0.00 -0.13 -0.10 0.00 -1.02 0.00 0.00 32.46 31.21 2hgu n ARG 35 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2hgu n GLN 36 N -3.12 0.63 -0.08 5.56 3.00 -0.39 -1.04 117.38 121.95 2hgu n GLN 36 Ca 0.00 0.16 -0.10 0.00 -0.01 0.00 0.00 57.00 57.05 2hgu n GLN 36 Cb 0.01 -1.75 -0.03 0.00 0.00 0.00 0.00 30.24 28.46 2hgu n GLN 36 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 2hgu h LYS 37 N 0.00 0.41 0.00 -1.09 1.57 0.20 -3.37 116.57 114.29 2hgu h LYS 37 Ca -0.20 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 2hgu h LYS 37 Cb 1.62 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.87 2hgu h LYS 37 CO 0.04 0.47 -0.34 0.41 -0.57 0.00 0.00 179.45 179.47 2hgu n GLY 38 N -0.63 0.34 0.00 3.86 0.00 -0.24 -5.06 105.19 103.46 2hgu n GLY 38 Ca -0.03 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2hgu n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hgu n ARG 39 N -1.17 0.00 0.00 1.61 1.74 -0.20 -5.06 116.66 113.58 2hgu n ARG 39 Ca 0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 2hgu n ARG 39 Cb 0.11 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.55 2hgu n ARG 39 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 2hgu n TRP 40 N 0.00 0.00 0.00 -1.55 7.02 -1.26 -4.23 117.44 117.42 2hgu n TRP 40 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 2hgu n TRP 40 Cb 0.00 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 2hgu n TRP 40 CO 0.00 0.00 0.00 2.89 -2.02 0.00 0.00 177.69 178.56 2hgu n ARG 41 N 0.00 0.00 0.00 -0.99 1.85 -1.26 -5.13 116.66 111.13 2hgu n ARG 41 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2hgu n ARG 41 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 2hgu n ARG 41 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2hgu n LEU 42 N 0.00 0.00 0.10 2.89 4.77 -1.26 -4.71 117.00 118.79 2hgu n LEU 42 Ca 0.00 0.00 0.20 0.00 -0.03 0.00 0.00 56.01 56.18 2hgu n LEU 42 Cb 0.00 0.00 0.76 0.00 -2.33 0.00 0.00 43.42 41.85 2hgu n LEU 42 CO 0.00 0.00 1.18 0.74 -1.33 0.00 0.00 177.39 177.98 2hgu h THR 43 N 0.00 0.45 -0.01 -5.08 2.02 -2.00 1.01 112.91 109.29 2hgu h THR 43 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2hgu h THR 43 Cb 0.00 0.70 -0.00 0.00 -1.74 0.00 0.00 68.15 67.11 2hgu h THR 43 CO 0.00 0.00 0.17 1.55 0.37 0.00 0.00 175.52 177.61 2hgu h PRO 44 N 0.00 0.00 0.06 6.66 0.13 -1.92 3.01 132.00 139.94 2hgu h PRO 44 Ca 0.18 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.94 2hgu h PRO 44 Cb 0.96 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.04 2hgu h PRO 44 CO -0.00 0.00 -2.21 0.00 -0.23 0.00 0.00 178.00 175.56 2hgu n ALA 45 N -2.01 1.17 -0.13 -0.56 0.00 0.33 -3.99 120.51 115.32 2hgu n ALA 45 Ca -0.02 -0.85 0.10 0.00 0.00 0.00 0.00 53.44 52.67 2hgu n ALA 45 Cb 0.23 -0.42 0.19 0.00 0.00 0.00 0.00 19.45 19.44 2hgu n ALA 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2hgu n VAL 46 N -3.34 -0.17 -0.17 0.00 0.31 1.00 -4.52 118.33 111.44 2hgu n VAL 46 Ca -0.37 0.85 -0.06 0.00 -0.01 0.00 0.00 64.34 64.75 2hgu n VAL 46 Cb 1.03 -1.32 0.01 0.00 -0.91 0.00 0.00 33.84 32.64 2hgu n VAL 46 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2hgu n ARG 47 N -4.13 0.00 0.00 5.55 0.63 -0.62 -5.00 116.66 113.09 2hgu n ARG 47 Ca 0.13 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.06 2hgu n ARG 47 Cb 0.43 -0.17 0.00 0.00 0.45 0.00 0.00 32.46 33.17 2hgu n ARG 47 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 2hgu n LYS 48 N 0.42 2.72 -0.72 -0.14 3.00 -1.26 -5.11 118.16 117.07 2hgu n LYS 48 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2hgu n LYS 48 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.12 2hgu n LYS 48 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27