#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dx7 s ASP 2 N 0.00 6.56 0.00 0.00 1.01 -1.26 -4.67 116.67 118.32 1dx7 s ASP 2 Ca 0.00 0.67 0.00 0.00 0.71 0.00 0.00 52.55 53.93 1dx7 s ASP 2 Cb 0.00 -2.25 0.00 0.00 1.01 0.00 0.00 42.92 41.68 1dx7 s ASP 2 CO 0.00 0.01 0.00 2.29 0.21 0.00 0.00 175.17 177.68 1dx7 n LYS 3 N 3.83 0.00 0.07 8.23 -0.00 -1.26 -4.93 118.16 124.10 1dx7 n LYS 3 Ca -0.09 0.00 0.06 0.00 -0.00 0.00 0.00 58.31 58.28 1dx7 n LYS 3 Cb 0.52 0.00 0.28 0.00 -0.00 0.00 0.00 35.03 35.83 1dx7 n LYS 3 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1dx7 n SER 4 N 0.00 0.26 0.03 -5.58 7.64 -1.26 -1.78 113.62 112.92 1dx7 n SER 4 Ca 0.00 0.61 -0.20 0.00 1.01 0.00 0.00 58.87 60.29 1dx7 n SER 4 Cb 0.00 -0.65 -0.10 0.00 -1.01 0.00 0.00 64.21 62.45 1dx7 n SER 4 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1dx7 h ASP 5 N 0.00 0.85 -0.98 6.43 3.58 -1.95 -1.58 116.42 122.77 1dx7 h ASP 5 Ca 0.00 -0.73 0.14 0.00 0.42 0.00 0.00 57.03 56.86 1dx7 h ASP 5 Cb 0.05 -0.26 -0.09 0.00 1.72 0.00 0.00 39.33 40.76 1dx7 h ASP 5 CO 0.00 1.47 0.62 -0.07 -2.88 0.00 0.00 179.24 178.38 1dx7 h LEU 6 N 0.31 0.83 -0.07 2.28 3.38 -1.75 0.15 115.31 120.43 1dx7 h LEU 6 Ca -0.11 0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 1dx7 h LEU 6 Cb 1.60 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.25 1dx7 h LEU 6 CO 0.19 0.41 -0.26 1.23 0.09 0.00 0.00 178.44 180.10 1dx7 h GLY 7 N 0.87 0.33 1.68 0.83 0.00 -1.63 -2.85 103.07 102.32 1dx7 h GLY 7 Ca 0.50 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1dx7 h GLY 7 CO -0.27 0.40 0.14 -1.82 0.00 0.00 0.00 176.54 174.98 1dx7 h TYR 8 N -0.19 0.00 -0.20 5.60 3.20 -0.09 0.12 116.97 125.41 1dx7 h TYR 8 Ca -0.01 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.81 1dx7 h TYR 8 Cb 0.89 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.15 1dx7 h TYR 8 CO 0.13 0.00 -0.06 1.15 -1.64 0.00 0.00 178.16 177.74 1dx7 h THR 9 N 0.00 1.29 0.09 1.81 2.02 -0.78 0.31 112.91 117.65 1dx7 h THR 9 Ca 0.00 -1.06 -0.00 0.00 0.77 0.00 0.00 66.41 66.12 1dx7 h THR 9 Cb 0.28 1.58 0.00 0.00 -1.74 0.00 0.00 68.15 68.28 1dx7 h THR 9 CO 0.00 0.32 -0.04 1.23 0.37 0.00 0.00 175.52 177.40 1dx7 h GLY 10 N 0.10 -0.13 -0.66 2.16 0.00 -0.94 -3.21 103.07 100.40 1dx7 h GLY 10 Ca 0.05 0.05 0.37 0.00 0.00 0.00 0.00 47.33 47.80 1dx7 h GLY 10 CO 0.02 -0.05 0.87 0.17 0.00 0.00 0.00 176.54 177.56 1dx7 h LEU 11 N -0.89 0.17 0.00 3.11 8.10 -1.19 -0.49 115.31 124.13 1dx7 h LEU 11 Ca -0.01 0.05 0.00 0.00 0.11 0.00 0.00 57.88 58.03 1dx7 h LEU 11 Cb 0.10 0.03 0.00 0.00 -0.44 0.00 0.00 40.66 40.35 1dx7 h LEU 11 CO 0.02 -0.01 0.00 0.41 -4.11 0.00 0.00 178.44 174.75 1dx7 n THR 12 N -4.38 0.00 -0.35 0.15 -1.04 0.11 -0.22 114.28 108.55 1dx7 n THR 12 Ca 0.30 1.26 0.27 0.00 -2.04 0.00 0.00 64.05 63.84 1dx7 n THR 12 Cb 1.28 -1.93 0.43 0.00 -1.82 0.00 0.00 70.33 68.30 1dx7 n THR 12 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1dx7 n ASP 13 N -1.78 0.05 0.01 8.00 8.00 -0.19 0.21 116.55 130.85 1dx7 n ASP 13 Ca 0.00 0.66 -0.21 0.00 0.71 0.00 0.00 54.79 55.95 1dx7 n ASP 13 Cb 0.00 -0.33 -0.14 0.00 -0.02 0.00 0.00 41.12 40.63 1dx7 n ASP 13 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1dx7 h GLU 14 N 0.00 0.24 -0.62 -1.24 4.57 -0.59 -3.05 114.58 113.89 1dx7 h GLU 14 Ca 0.52 -0.41 -0.03 0.00 -1.18 0.00 0.00 59.36 58.26 1dx7 h GLU 14 Cb 1.92 0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 30.64 1dx7 h GLU 14 CO -0.12 1.20 0.28 1.96 -1.18 0.00 0.00 179.01 181.15 1dx7 h GLN 15 N -0.40 0.91 -0.80 1.92 1.08 0.47 0.44 115.11 118.72 1dx7 h GLN 15 Ca -0.23 -0.15 0.23 0.00 -1.45 0.00 0.00 58.65 57.05 1dx7 h GLN 15 Cb 1.66 -0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 28.90 1dx7 h GLN 15 CO 0.08 0.75 0.58 0.00 -0.95 0.00 0.00 178.83 179.28 1dx7 h ALA 16 N 1.12 2.75 0.00 3.87 0.00 -0.57 1.11 119.26 127.54 1dx7 h ALA 16 Ca 0.21 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.94 1dx7 h ALA 16 Cb 0.15 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1dx7 h ALA 16 CO -0.02 -1.00 -1.22 1.96 0.00 0.00 0.00 179.25 178.97 1dx7 h GLN 17 N 0.00 0.00 -0.20 0.00 4.20 -0.28 -2.61 115.11 116.21 1dx7 h GLN 17 Ca 0.38 0.00 0.06 0.00 0.06 0.00 0.00 58.65 59.15 1dx7 h GLN 17 Cb 1.54 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.31 1dx7 h GLN 17 CO -0.00 0.35 0.56 1.49 -0.67 0.00 0.00 178.83 180.56 1dx7 h GLU 18 N 0.00 0.00 0.00 1.46 4.57 0.53 0.58 114.58 121.72 1dx7 h GLU 18 Ca -0.13 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 57.93 1dx7 h GLU 18 Cb 1.56 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 30.12 1dx7 h GLU 18 CO 0.05 0.00 -1.62 1.47 -1.18 0.00 0.00 179.01 177.73 1dx7 n LEU 19 N -3.06 0.00 0.00 1.64 -0.00 -1.13 -4.66 117.00 109.80 1dx7 n LEU 19 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.04 1dx7 n LEU 19 Cb 0.66 0.17 0.00 0.00 -0.00 0.00 0.00 43.42 44.25 1dx7 n LEU 19 CO 0.15 0.17 0.00 1.41 -0.00 0.00 0.00 177.39 179.13 1dx7 n HIS 20 N -2.22 0.00 0.00 1.47 8.25 0.19 -3.63 115.22 119.28 1dx7 n HIS 20 Ca -0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.34 1dx7 n HIS 20 Cb 0.66 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.77 1dx7 n HIS 20 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1dx7 n SER 21 N -0.98 0.00 -0.33 0.41 7.64 -0.29 0.22 113.62 120.29 1dx7 n SER 21 Ca 0.00 0.65 0.07 0.00 1.01 0.00 0.00 58.87 60.60 1dx7 n SER 21 Cb 0.00 -0.29 0.15 0.00 -1.01 0.00 0.00 64.21 63.06 1dx7 n SER 21 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1dx7 n VAL 22 N -2.36 -0.39 -0.08 0.44 3.14 -1.15 0.44 118.33 118.38 1dx7 n VAL 22 Ca 0.00 2.09 -0.14 0.00 -2.96 0.00 0.00 64.34 63.33 1dx7 n VAL 22 Cb 0.00 -2.92 -0.10 0.00 -1.06 0.00 0.00 33.84 29.76 1dx7 n VAL 22 CO 0.00 0.00 0.00 0.22 -6.46 0.00 0.00 176.83 170.59 1dx7 h TYR 23 N 0.00 -1.66 0.00 1.45 5.03 0.25 0.72 116.97 122.77 1dx7 h TYR 23 Ca 0.46 0.07 0.00 0.00 2.58 0.00 0.00 58.73 61.84 1dx7 h TYR 23 Cb 0.75 0.76 0.00 0.00 1.55 0.00 0.00 36.73 39.79 1dx7 h TYR 23 CO -0.67 -0.51 0.00 -1.33 -1.32 0.00 0.00 178.16 174.33 1dx7 n MET 24 N -5.37 0.00 -0.30 1.82 2.81 0.17 -2.72 117.12 113.54 1dx7 n MET 24 Ca -0.05 0.00 0.01 0.00 -1.81 0.00 0.00 57.70 55.85 1dx7 n MET 24 Cb 0.35 -0.38 0.14 0.00 -0.71 0.00 0.00 33.22 32.63 1dx7 n MET 24 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1dx7 h SER 25 N 0.00 0.78 -0.21 7.83 0.87 -1.36 0.58 113.55 122.04 1dx7 h SER 25 Ca 0.00 0.02 0.06 0.00 -1.23 0.00 0.00 61.79 60.64 1dx7 h SER 25 Cb 0.00 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.81 1dx7 h SER 25 CO 0.00 0.50 0.16 1.23 -0.53 0.00 0.00 176.83 178.18 1dx7 h GLY 26 N 0.91 0.00 0.80 5.77 0.00 0.47 -1.84 103.07 109.18 1dx7 h GLY 26 Ca 0.37 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.70 1dx7 h GLY 26 CO -0.18 0.00 -0.15 -2.00 0.00 0.00 0.00 176.54 174.21 1dx7 h LEU 27 N 0.00 -0.40 -2.01 3.11 5.85 0.26 0.14 115.31 122.26 1dx7 h LEU 27 Ca 0.10 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1dx7 h LEU 27 Cb 0.41 0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.58 1dx7 h LEU 27 CO -0.00 -0.22 0.14 -0.25 -0.34 0.00 0.00 178.44 177.77 1dx7 h TRP 28 N -0.32 0.00 0.00 1.25 2.91 -1.34 0.31 115.95 118.76 1dx7 h TRP 28 Ca 0.01 0.00 -0.30 0.00 1.13 0.00 0.00 58.89 59.73 1dx7 h TRP 28 Cb 0.31 0.00 -0.05 0.00 -0.51 0.00 0.00 29.16 28.91 1dx7 h TRP 28 CO -0.14 0.00 -1.78 -0.11 -1.03 0.00 0.00 178.44 175.38 1dx7 n LEU 29 N -2.67 0.78 0.05 0.65 7.94 0.05 -3.85 117.00 119.94 1dx7 n LEU 29 Ca -0.02 0.37 0.13 0.00 -1.11 0.00 0.00 56.01 55.38 1dx7 n LEU 29 Cb 0.19 0.21 0.41 0.00 0.53 0.00 0.00 43.42 44.75 1dx7 n LEU 29 CO 0.13 0.40 0.74 0.33 -1.11 0.00 0.00 177.39 177.89 1dx7 n PHE 30 N -3.01 0.43 0.82 1.96 7.35 0.86 -1.57 117.46 124.30 1dx7 n PHE 30 Ca -0.19 0.13 0.13 0.00 -0.76 0.00 0.00 57.45 56.76 1dx7 n PHE 30 Cb 1.06 -0.65 0.45 0.00 0.35 0.00 0.00 39.48 40.70 1dx7 n PHE 30 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1dx7 n SER 31 N -1.88 0.43 -0.07 -2.13 2.88 0.04 -1.66 113.62 111.23 1dx7 n SER 31 Ca 0.06 0.41 -0.15 0.00 -1.33 0.00 0.00 58.87 57.85 1dx7 n SER 31 Cb 0.39 -0.46 -0.05 0.00 -0.75 0.00 0.00 64.21 63.34 1dx7 n SER 31 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1dx7 n ALA 32 N -1.64 2.07 -0.29 -1.46 0.00 -1.15 -4.11 120.51 113.93 1dx7 n ALA 32 Ca 0.06 -0.57 -0.02 0.00 0.00 0.00 0.00 53.44 52.91 1dx7 n ALA 32 Cb 0.38 0.31 0.16 0.00 0.00 0.00 0.00 19.45 20.30 1dx7 n ALA 32 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1dx7 h VAL 33 N -0.52 1.23 0.18 0.00 2.07 -1.42 -1.68 116.25 116.11 1dx7 h VAL 33 Ca -0.37 -0.52 0.01 0.00 0.82 0.00 0.00 66.70 66.65 1dx7 h VAL 33 Cb 1.32 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 1dx7 h VAL 33 CO -0.22 0.25 -0.33 0.00 0.02 0.00 0.00 177.57 177.28 1dx7 h ALA 34 N 1.39 -0.61 -1.55 1.67 0.00 -1.53 0.61 119.26 119.24 1dx7 h ALA 34 Ca 0.30 -0.07 0.47 0.00 0.00 0.00 0.00 54.91 55.61 1dx7 h ALA 34 Cb -0.04 0.53 -0.09 0.00 0.00 0.00 0.00 17.79 18.18 1dx7 h ALA 34 CO -0.06 -0.90 1.07 0.82 0.00 0.00 0.00 179.25 180.19 1dx7 h ILE 35 N -0.60 0.14 -0.02 0.00 2.04 -1.48 1.93 117.51 119.53 1dx7 h ILE 35 Ca 0.02 -0.02 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 1dx7 h ILE 35 Cb 0.60 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 1dx7 h ILE 35 CO -0.16 0.01 -0.12 0.58 0.00 0.00 0.00 178.15 178.46 1dx7 h VAL 36 N 0.05 1.52 -1.22 1.67 2.07 0.71 -1.23 116.25 119.81 1dx7 h VAL 36 Ca 0.81 -1.70 0.35 0.00 0.82 0.00 0.00 66.70 66.99 1dx7 h VAL 36 Cb 2.96 2.59 -0.06 0.00 -1.52 0.00 0.00 31.29 35.26 1dx7 h VAL 36 CO -0.18 0.46 0.86 0.00 0.02 0.00 0.00 177.57 178.73 1dx7 h ALA 37 N 0.33 3.02 0.12 1.67 0.00 0.54 2.13 119.26 127.07 1dx7 h ALA 37 Ca -0.01 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 1dx7 h ALA 37 Cb 0.81 0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.70 1dx7 h ALA 37 CO 0.02 -1.40 -0.72 0.45 0.00 0.00 0.00 179.25 177.60 1dx7 h HIS 38 N 0.06 0.50 0.00 0.00 3.86 -0.68 -3.16 115.15 115.74 1dx7 h HIS 38 Ca 0.60 -0.36 0.00 0.00 -1.16 0.00 0.00 60.37 59.45 1dx7 h HIS 38 Cb 2.25 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 30.70 1dx7 h HIS 38 CO -0.00 1.27 -0.08 -0.07 0.86 0.00 0.00 177.93 179.91 1dx7 h LEU 39 N -0.40 0.00 -1.16 2.43 3.38 0.95 -3.17 115.31 117.35 1dx7 h LEU 39 Ca -0.12 0.00 0.41 0.00 0.09 0.00 0.00 57.88 58.25 1dx7 h LEU 39 Cb 1.56 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 42.18 1dx7 h LEU 39 CO 0.14 0.16 0.73 0.00 0.09 0.00 0.00 178.44 179.56 1dx7 n ALA 40 N -2.44 1.15 0.09 1.53 0.00 0.68 0.10 120.51 121.62 1dx7 n ALA 40 Ca -0.01 0.76 -0.11 0.00 0.00 0.00 0.00 53.44 54.08 1dx7 n ALA 40 Cb 0.04 -0.91 -0.07 0.00 0.00 0.00 0.00 19.45 18.51 1dx7 n ALA 40 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1dx7 h VAL 41 N 0.00 0.67 0.00 0.00 2.07 -1.48 0.65 116.25 118.16 1dx7 h VAL 41 Ca 0.75 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1dx7 h VAL 41 Cb 2.39 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 33.27 1dx7 h VAL 41 CO -0.42 0.17 0.03 1.88 0.02 0.00 0.00 177.57 179.24 1dx7 h TYR 42 N -0.90 0.00 0.00 1.57 0.05 -0.30 0.18 116.97 117.58 1dx7 h TYR 42 Ca -0.03 0.00 -0.28 0.00 0.05 0.00 0.00 58.73 58.47 1dx7 h TYR 42 Cb 0.50 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.19 1dx7 h TYR 42 CO 0.06 0.00 -1.75 -0.89 -1.05 0.00 0.00 178.16 174.54 1dx7 n ILE 43 N -2.38 1.50 -0.06 -2.88 5.41 0.30 -3.94 119.36 117.32 1dx7 n ILE 43 Ca -0.02 -0.78 0.12 0.00 1.00 0.00 0.00 62.75 63.07 1dx7 n ILE 43 Cb 0.06 -0.92 0.29 0.00 -0.71 0.00 0.00 39.64 38.36 1dx7 n ILE 43 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 176.55 177.34 1dx7 n TRP 44 N -2.98 0.80 -0.86 1.39 7.02 0.37 -4.98 117.44 118.21 1dx7 n TRP 44 Ca -0.17 -0.40 -0.36 0.00 -1.02 0.00 0.00 57.50 55.55 1dx7 n TRP 44 Cb 1.03 0.00 0.09 0.00 -2.42 0.00 0.00 31.31 30.01 1dx7 n TRP 44 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 1dx7 n ARG 45 N 1.54 -0.67 -2.29 -0.99 5.12 0.36 -4.76 116.66 114.97 1dx7 n ARG 45 Ca 0.22 -0.19 -0.43 0.00 -1.93 0.00 0.00 57.85 55.53 1dx7 n ARG 45 Cb 0.60 -1.33 -0.02 0.00 -1.16 0.00 0.00 32.46 30.55 1dx7 n ARG 45 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1dx7 s PRO 46 N -2.68 3.84 0.00 5.56 0.04 -1.26 -4.75 135.00 135.75 1dx7 s PRO 46 Ca 0.46 1.40 0.00 0.00 0.04 0.00 0.00 61.00 62.89 1dx7 s PRO 46 Cb -0.02 -3.95 0.00 0.00 0.04 0.00 0.00 34.50 30.56 1dx7 s PRO 46 CO 0.68 -1.22 0.00 0.91 0.04 0.00 0.00 177.00 177.41 1dx7 n TRP 47 N 8.04 0.00 -0.06 0.56 7.02 -1.26 -5.22 117.44 126.51 1dx7 n TRP 47 Ca 0.16 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.64 1dx7 n TRP 47 Cb 0.46 0.34 0.00 0.00 -2.42 0.00 0.00 31.31 29.69 1dx7 n TRP 47 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01