#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqv n LEU 2 N 0.00 3.95 0.01 4.03 4.77 -1.26 -4.81 117.00 123.69 1sqv n LEU 2 Ca 0.00 -4.25 -0.22 0.00 -0.03 0.00 0.00 56.01 51.52 1sqv n LEU 2 Cb 0.00 -0.11 -0.14 0.00 -2.33 0.00 0.00 43.42 40.84 1sqv n LEU 2 CO 0.00 1.79 -0.44 0.00 -1.33 0.00 0.00 177.39 177.41 1sqv h THR 3 N 3.15 1.02 0.00 -5.08 1.03 -2.10 -3.22 112.91 107.71 1sqv h THR 3 Ca 0.22 -2.40 0.00 0.00 -0.01 0.00 0.00 66.41 64.22 1sqv h THR 3 Cb 1.46 2.71 0.00 0.00 -1.07 0.00 0.00 68.15 71.25 1sqv h THR 3 CO 0.59 0.72 0.00 -1.14 -0.01 0.00 0.00 175.52 175.67 1sqv n ARG 4 N -3.89 0.00 -0.32 0.00 0.63 -1.26 -2.22 116.66 109.59 1sqv n ARG 4 Ca -0.25 0.00 0.05 0.00 -0.92 0.00 0.00 57.85 56.73 1sqv n ARG 4 Cb 0.91 0.00 0.20 0.00 0.45 0.00 0.00 32.46 34.02 1sqv n ARG 4 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1sqv n PHE 5 N -0.53 0.78 -3.74 -0.14 3.72 -1.22 -4.69 117.46 111.65 1sqv n PHE 5 Ca 0.00 -0.32 -0.37 0.00 -0.05 0.00 0.00 57.45 56.71 1sqv n PHE 5 Cb 0.00 -0.13 -0.11 0.00 -0.94 0.00 0.00 39.48 38.30 1sqv n PHE 5 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1sqv s LEU 6 N -1.20 5.27 0.11 4.37 1.43 -0.94 -4.79 118.68 122.92 1sqv s LEU 6 Ca 0.28 -2.34 -0.26 0.00 -1.03 0.00 0.00 54.13 50.79 1sqv s LEU 6 Cb 0.18 -1.85 0.08 0.00 0.03 0.00 0.00 46.19 44.62 1sqv s LEU 6 CO 0.14 -0.49 0.93 -0.83 0.23 0.00 0.00 176.35 176.33 1sqv s GLY 7 N 1.45 -0.31 0.25 -3.19 0.00 -1.26 -5.05 107.32 99.21 1sqv s GLY 7 Ca 0.11 0.40 -0.09 0.00 0.00 0.00 0.00 44.72 45.14 1sqv s GLY 7 CO -0.04 0.11 1.59 -0.56 0.00 0.00 0.00 173.10 174.21 1sqv h PRO 8 N 2.00 0.01 -0.52 2.90 0.13 -2.00 -0.82 132.00 133.71 1sqv h PRO 8 Ca -0.24 -0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.92 1sqv h PRO 8 Cb 1.24 -0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.33 1sqv h PRO 8 CO 0.27 0.01 0.30 -0.09 -0.23 0.00 0.00 178.00 178.26 1sqv h ARG 9 N 0.01 0.58 -0.76 0.86 2.43 -1.98 -1.81 114.38 113.71 1sqv h ARG 9 Ca 0.41 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.51 1sqv h ARG 9 Cb 0.67 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.05 1sqv h ARG 9 CO -0.84 0.39 0.31 1.88 -1.51 0.00 0.00 179.97 180.20 1sqv h TYR 10 N 0.60 1.14 -0.07 2.20 0.05 -1.46 -0.26 116.97 119.17 1sqv h TYR 10 Ca 0.21 -0.08 -0.13 0.00 0.05 0.00 0.00 58.73 58.78 1sqv h TYR 10 Cb 0.04 -0.35 -0.01 0.00 1.01 0.00 0.00 36.73 37.42 1sqv h TYR 10 CO -0.07 0.86 -0.54 0.07 -1.05 0.00 0.00 178.16 177.43 1sqv h ARG 11 N 1.11 0.21 -0.67 4.88 0.11 -1.12 0.10 114.38 118.99 1sqv h ARG 11 Ca 0.26 -0.13 -0.01 0.00 0.10 0.00 0.00 59.98 60.21 1sqv h ARG 11 Cb 0.20 0.01 -0.03 0.00 1.11 0.00 0.00 29.97 31.26 1sqv h ARG 11 CO -0.02 0.69 0.40 1.96 0.10 0.00 0.00 179.97 183.10 1sqv h GLN 12 N 0.16 0.92 0.16 0.08 4.20 -0.61 -0.26 115.11 119.75 1sqv h GLN 12 Ca 0.00 -0.09 -0.29 0.00 0.06 0.00 0.00 58.65 58.33 1sqv h GLN 12 Cb 1.00 -0.19 0.02 0.00 0.30 0.00 0.00 27.48 28.61 1sqv h GLN 12 CO 0.08 0.66 -1.29 1.25 -0.67 0.00 0.00 178.83 178.86 1sqv h LEU 13 N 0.92 0.59 -0.12 1.46 5.85 -0.41 -0.15 115.31 123.45 1sqv h LEU 13 Ca 0.24 -0.61 0.02 0.00 0.84 0.00 0.00 57.88 58.37 1sqv h LEU 13 Cb -0.02 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 1sqv h LEU 13 CO -0.04 1.47 -0.02 0.00 -0.34 0.00 0.00 178.44 179.50 1sqv h ALA 14 N 0.45 0.08 -0.17 1.25 0.00 -0.82 -2.68 119.26 117.38 1sqv h ALA 14 Ca -0.17 0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.83 1sqv h ALA 14 Cb 2.00 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.87 1sqv h ALA 14 CO 0.23 -0.48 0.15 0.00 0.00 0.00 0.00 179.25 179.14 1sqv h ARG 15 N 0.01 0.00 -0.16 0.00 3.08 -0.85 -1.50 114.38 114.95 1sqv h ARG 15 Ca 0.06 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.06 1sqv h ARG 15 Cb 0.08 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 1sqv h ARG 15 CO -0.12 0.00 -0.07 -0.91 -1.07 0.00 0.00 179.97 177.80 1sqv h ASN 16 N 0.00 0.34 -0.40 7.04 -0.26 -0.92 -3.33 115.58 118.04 1sqv h ASN 16 Ca 0.08 -0.41 0.00 0.00 -0.56 0.00 0.00 56.30 55.41 1sqv h ASN 16 Cb 0.37 -0.09 0.00 0.00 -1.06 0.00 0.00 38.32 37.54 1sqv h ASN 16 CO -0.00 0.68 0.00 0.79 -1.06 0.00 0.00 177.43 177.83 1sqv n TRP 17 N -4.63 0.82 -0.05 1.19 7.02 -0.64 -4.53 117.44 116.63 1sqv n TRP 17 Ca -0.06 -0.34 -0.14 0.00 -1.02 0.00 0.00 57.50 55.95 1sqv n TRP 17 Cb 0.30 -0.13 -0.12 0.00 -2.42 0.00 0.00 31.31 28.94 1sqv n TRP 17 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 1sqv h VAL 18 N 2.47 1.65 -0.85 -0.99 2.07 -1.49 -2.66 116.25 116.45 1sqv h VAL 18 Ca 0.00 -1.94 0.07 0.00 0.82 0.00 0.00 66.70 65.65 1sqv h VAL 18 Cb 0.87 2.97 -0.06 0.00 -1.52 0.00 0.00 31.29 33.56 1sqv h VAL 18 CO 0.11 0.51 0.55 -0.65 0.02 0.00 0.00 177.57 178.10 1sqv h PRO 19 N -0.81 0.90 -0.16 1.57 0.11 -1.84 -0.24 132.00 131.54 1sqv h PRO 19 Ca -0.00 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.05 1sqv h PRO 19 Cb 0.84 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.74 1sqv h PRO 19 CO 0.00 0.59 0.08 1.15 -0.21 0.00 0.00 178.00 179.62 1sqv h THR 20 N 0.92 1.10 -0.33 -1.15 2.02 -1.85 -2.16 112.91 111.47 1sqv h THR 20 Ca 0.37 -0.28 -0.14 0.00 0.77 0.00 0.00 66.41 67.13 1sqv h THR 20 Cb 0.25 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 1sqv h THR 20 CO -0.14 0.10 -0.35 0.00 0.37 0.00 0.00 175.52 175.50 1sqv h ALA 21 N 0.97 0.76 -0.52 6.16 0.00 -0.99 -1.07 119.26 124.57 1sqv h ALA 21 Ca 0.06 -0.43 0.05 0.00 0.00 0.00 0.00 54.91 54.59 1sqv h ALA 21 Cb 0.08 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 17.67 1sqv h ALA 21 CO -0.01 0.65 -0.45 1.03 0.00 0.00 0.00 179.25 180.48 1sqv h SER 22 N 0.63 -1.57 0.21 0.00 0.87 -1.02 -2.89 113.55 109.78 1sqv h SER 22 Ca 0.06 0.22 -0.01 0.00 -1.23 0.00 0.00 61.79 60.83 1sqv h SER 22 Cb 0.88 0.67 -0.00 0.00 -0.44 0.00 0.00 62.40 63.51 1sqv h SER 22 CO 0.08 -0.26 -0.07 -0.07 -0.53 0.00 0.00 176.83 175.98 1sqv h LEU 23 N -0.18 0.00 -0.43 2.23 3.38 -0.55 -2.60 115.31 117.15 1sqv h LEU 23 Ca 0.09 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.88 1sqv h LEU 23 Cb 0.41 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1sqv h LEU 23 CO -0.58 0.07 -0.78 -0.25 0.09 0.00 0.00 178.44 176.99 1sqv h TRP 24 N 0.00 0.16 -0.09 1.13 2.91 -1.11 -0.67 115.95 118.27 1sqv h TRP 24 Ca -0.00 -0.08 -0.19 0.00 1.13 0.00 0.00 58.89 59.75 1sqv h TRP 24 Cb 0.19 -0.02 -0.00 0.00 -0.51 0.00 0.00 29.16 28.82 1sqv h TRP 24 CO 0.00 0.84 -0.74 0.78 -1.03 0.00 0.00 178.44 178.29 1sqv h GLY 25 N 1.98 0.52 0.33 2.65 0.00 -1.34 -1.89 103.07 105.34 1sqv h GLY 25 Ca -0.02 -0.74 0.06 0.00 0.00 0.00 0.00 47.33 46.63 1sqv h GLY 25 CO 0.11 0.66 -0.12 0.00 0.00 0.00 0.00 176.54 177.19 1sqv h ALA 26 N 0.87 0.12 -0.47 3.60 0.00 -1.33 -1.56 119.26 120.49 1sqv h ALA 26 Ca -0.04 0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.06 1sqv h ALA 26 Cb 1.33 0.30 -0.07 0.00 0.00 0.00 0.00 17.79 19.35 1sqv h ALA 26 CO 0.13 -0.51 0.08 0.28 0.00 0.00 0.00 179.25 179.23 1sqv h VAL 27 N -0.07 0.72 -0.05 0.00 2.07 -1.13 -2.80 116.25 114.99 1sqv h VAL 27 Ca 0.14 -0.07 -0.24 0.00 0.82 0.00 0.00 66.70 67.35 1sqv h VAL 27 Cb 0.29 0.49 0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1sqv h VAL 27 CO -0.33 0.04 -0.94 1.23 0.02 0.00 0.00 177.57 177.59 1sqv h GLY 28 N 0.21 0.73 0.28 2.17 0.00 -1.10 -2.38 103.07 102.98 1sqv h GLY 28 Ca 0.24 -1.18 -0.00 0.00 0.00 0.00 0.00 47.33 46.38 1sqv h GLY 28 CO -0.32 1.05 -0.01 0.00 0.00 0.00 0.00 176.54 177.26 1sqv h ALA 29 N 0.54 0.00 -0.51 3.60 0.00 -1.33 -2.46 119.26 119.10 1sqv h ALA 29 Ca -0.09 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 1sqv h ALA 29 Cb 1.57 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.34 1sqv h ALA 29 CO 0.18 -0.13 0.32 0.28 0.00 0.00 0.00 179.25 179.89 1sqv h VAL 30 N -0.71 1.14 -0.24 0.00 2.07 -1.57 0.83 116.25 117.76 1sqv h VAL 30 Ca -0.00 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 1sqv h VAL 30 Cb 0.73 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1sqv h VAL 30 CO 0.00 0.15 0.14 1.23 0.02 0.00 0.00 177.57 179.11 1sqv h GLY 31 N 0.74 0.36 1.44 2.17 0.00 -1.50 -0.43 103.07 105.84 1sqv h GLY 31 Ca 0.19 -0.15 -0.06 0.00 0.00 0.00 0.00 47.33 47.30 1sqv h GLY 31 CO -0.04 0.15 0.01 -2.00 0.00 0.00 0.00 176.54 174.66 1sqv h LEU 32 N 0.30 0.66 0.50 3.11 5.85 -0.48 0.19 115.31 125.44 1sqv h LEU 32 Ca 0.09 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 1sqv h LEU 32 Cb 0.03 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 40.89 1sqv h LEU 32 CO -0.02 0.72 -0.27 0.58 -0.34 0.00 0.00 178.44 179.12 1sqv h VAL 33 N 0.65 0.45 -0.46 1.05 2.07 0.75 -1.93 116.25 118.83 1sqv h VAL 33 Ca 0.13 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.65 1sqv h VAL 33 Cb 0.40 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1sqv h VAL 33 CO 0.01 0.00 0.26 -0.25 0.02 0.00 0.00 177.57 177.61 1sqv h TRP 34 N -0.71 0.62 0.00 1.57 7.01 -0.99 -0.72 115.95 122.72 1sqv h TRP 34 Ca -0.06 -0.01 -0.10 0.00 2.11 0.00 0.00 58.89 60.82 1sqv h TRP 34 Cb 0.56 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 27.41 1sqv h TRP 34 CO -0.06 0.46 -0.50 0.00 -2.79 0.00 0.00 178.44 175.55 1sqv h ALA 35 N 1.11 1.14 -0.00 2.65 0.00 -0.58 -2.76 119.26 120.81 1sqv h ALA 35 Ca 0.16 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1sqv h ALA 35 Cb 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1sqv h ALA 35 CO -0.03 0.62 -0.63 0.25 0.00 0.00 0.00 179.25 179.46 1sqv n THR 36 N -3.88 0.00 -3.67 0.00 -2.24 -0.73 -4.99 114.28 98.76 1sqv n THR 36 Ca -0.01 -0.08 -0.30 0.00 -2.27 0.00 0.00 64.05 61.40 1sqv n THR 36 Cb 0.52 0.75 0.04 0.00 -2.10 0.00 0.00 70.33 69.53 1sqv n THR 36 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1sqv n ASP 37 N -1.05 -5.42 -3.57 3.42 8.00 -0.40 -4.83 116.55 112.70 1sqv n ASP 37 Ca 0.07 -0.96 -0.40 0.00 0.71 0.00 0.00 54.79 54.21 1sqv n ASP 37 Cb 0.36 -3.25 -0.04 0.00 -0.02 0.00 0.00 41.12 38.17 1sqv n ASP 37 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 1sqv n TRP 38 N -3.90 2.12 0.00 1.24 -0.00 -0.51 -4.80 117.44 111.58 1sqv n TRP 38 Ca -0.11 -2.08 0.00 0.00 -0.00 0.00 0.00 57.50 55.31 1sqv n TRP 38 Cb 0.59 -1.88 0.00 0.00 -0.00 0.00 0.00 31.31 30.02 1sqv n TRP 38 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 177.69 180.58 1sqv n ARG 39 N 6.35 0.00 -0.16 5.87 1.85 -1.26 -0.86 116.66 128.45 1sqv n ARG 39 Ca 0.50 0.00 -0.02 0.00 -1.00 0.00 0.00 57.85 57.33 1sqv n ARG 39 Cb 0.36 0.00 0.07 0.00 -1.05 0.00 0.00 32.46 31.83 1sqv n ARG 39 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 1sqv h LEU 40 N 0.00 -0.15 0.00 2.89 5.85 -2.01 -2.80 115.31 119.08 1sqv h LEU 40 Ca 0.00 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1sqv h LEU 40 Cb 0.00 0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1sqv h LEU 40 CO 0.00 -0.05 -0.04 0.40 -0.34 0.00 0.00 178.44 178.41 1sqv h ILE 41 N 0.15 1.66 0.00 4.05 5.03 -1.54 -3.39 117.51 123.47 1sqv h ILE 41 Ca 0.26 -1.98 -0.03 0.00 -0.12 0.00 0.00 64.86 62.99 1sqv h ILE 41 Cb 0.38 2.99 -0.00 0.00 -3.03 0.00 0.00 36.82 37.16 1sqv h ILE 41 CO -0.40 0.52 -0.13 -0.07 -0.68 0.00 0.00 178.15 177.38 1sqv h LEU 42 N -0.80 0.00 -1.65 1.44 3.38 -0.75 -1.45 115.31 115.49 1sqv h LEU 42 Ca -0.01 0.00 0.29 0.00 0.09 0.00 0.00 57.88 58.26 1sqv h LEU 42 Cb 0.87 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.55 1sqv h LEU 42 CO 0.01 0.13 0.73 0.44 0.09 0.00 0.00 178.44 179.84 1sqv h ASP 43 N 0.00 0.25 0.35 -0.43 3.32 -1.70 -1.51 116.42 116.70 1sqv h ASP 43 Ca -0.00 0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.03 1sqv h ASP 43 Cb 0.42 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1sqv h ASP 43 CO 0.02 0.05 -0.30 -0.25 -1.72 0.00 0.00 179.24 177.04 1sqv h TRP 44 N 0.22 0.00 -3.44 4.55 2.91 -1.52 -3.44 115.95 115.22 1sqv h TRP 44 Ca 0.57 0.00 -0.58 0.00 1.13 0.00 0.00 58.89 60.00 1sqv h TRP 44 Cb 1.79 0.00 -0.08 0.00 -0.51 0.00 0.00 29.16 30.36 1sqv h TRP 44 CO -0.00 0.30 0.72 0.08 -1.03 0.00 0.00 178.44 178.50 1sqv s VAL 45 N -4.27 4.53 0.65 2.65 1.01 -0.57 -5.04 120.40 119.36 1sqv s VAL 45 Ca -0.03 1.40 -0.17 0.00 0.00 0.00 0.00 61.98 63.18 1sqv s VAL 45 Cb 0.14 -4.38 -0.01 0.00 0.00 0.00 0.00 36.38 32.14 1sqv s VAL 45 CO 0.70 -0.55 1.20 -2.84 0.00 0.00 0.00 175.10 173.61 1sqv s PRO 46 N 3.61 2.66 0.00 2.72 0.02 -1.26 -2.77 135.00 139.98 1sqv s PRO 46 Ca 0.42 1.75 0.00 0.00 0.02 0.00 0.00 61.00 63.19 1sqv s PRO 46 Cb -0.12 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.51 1sqv s PRO 46 CO 0.18 -1.43 0.00 0.98 -0.33 0.00 0.00 177.00 176.41 1sqv n TYR 47 N -2.08 0.00 0.13 6.54 4.19 -1.26 -4.78 117.16 119.91 1sqv n TYR 47 Ca 0.13 0.00 0.07 0.00 3.31 0.00 0.00 57.90 61.41 1sqv n TYR 47 Cb 0.50 0.00 0.04 0.00 0.49 0.00 0.00 39.34 40.37 1sqv n TYR 47 CO 0.00 0.00 0.00 0.82 0.91 0.00 0.00 176.86 178.59 1sqv h ILE 48 N 0.00 0.33 -0.42 2.97 2.04 -1.84 -3.40 117.51 117.20 1sqv h ILE 48 Ca 0.00 -1.53 -0.15 0.00 1.00 0.00 0.00 64.86 64.18 1sqv h ILE 48 Cb 0.00 2.00 -0.02 0.00 -0.74 0.00 0.00 36.82 38.06 1sqv h ILE 48 CO 0.00 0.19 0.42 0.54 0.00 0.00 0.00 178.15 179.30 1sqv s ASN 49 N -5.98 4.33 -0.39 1.72 4.22 -1.18 -4.92 114.94 112.74 1sqv s ASN 49 Ca 0.02 -0.71 -0.04 0.00 -2.14 0.00 0.00 52.86 49.99 1sqv s ASN 49 Cb 0.08 -2.57 0.09 0.00 1.28 0.00 0.00 41.25 40.13 1sqv s ASN 49 CO 0.75 -3.63 0.18 -0.83 -2.04 0.00 0.00 177.10 171.53 1sqv s GLY 50 N 8.74 1.94 0.00 0.45 0.00 -1.26 -5.10 107.32 112.09 1sqv s GLY 50 Ca 0.79 -2.30 0.00 0.00 0.00 0.00 0.00 44.72 43.22 1sqv s GLY 50 CO 0.09 0.95 0.46 0.28 0.00 0.00 0.00 173.10 174.88