#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fkw n GLN 3 N 0.00 2.88 0.00 -3.83 1.13 -1.26 -4.67 117.38 111.63 2fkw n GLN 3 Ca 0.00 -2.45 0.10 0.00 -1.94 0.00 0.00 57.00 52.70 2fkw n GLN 3 Cb 0.00 -2.01 0.46 0.00 0.11 0.00 0.00 30.24 28.80 2fkw n GLN 3 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2fkw n GLY 4 N -0.27 -1.03 0.89 1.08 0.00 -1.26 -1.59 105.19 103.01 2fkw n GLY 4 Ca 0.37 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.42 2fkw n GLY 4 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2fkw n LYS 5 N -1.38 2.16 -0.08 1.61 5.02 -1.26 -4.36 118.16 119.87 2fkw n LYS 5 Ca 0.07 -1.76 0.11 0.00 -2.02 0.00 0.00 58.31 54.71 2fkw n LYS 5 Cb 0.19 -1.45 0.48 0.00 -0.02 0.00 0.00 35.03 34.23 2fkw n LYS 5 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 2fkw h ILE 6 N 3.34 0.93 -0.08 -0.18 6.09 -1.69 -1.24 117.51 124.68 2fkw h ILE 6 Ca 0.00 -0.15 0.00 0.00 -1.37 0.00 0.00 64.86 63.34 2fkw h ILE 6 Cb 0.74 0.44 0.00 0.00 0.47 0.00 0.00 36.82 38.47 2fkw h ILE 6 CO 0.00 0.08 0.00 0.79 -3.07 0.00 0.00 178.15 175.95 2fkw n TRP 7 N -4.47 0.11 0.20 2.19 7.02 -1.26 -0.58 117.44 120.65 2fkw n TRP 7 Ca 0.09 -0.06 0.12 0.00 -1.02 0.00 0.00 57.50 56.63 2fkw n TRP 7 Cb 0.33 0.00 0.03 0.00 -2.42 0.00 0.00 31.31 29.25 2fkw n TRP 7 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 2fkw n THR 8 N -0.28 0.56 -0.03 -0.99 -2.24 -0.47 -4.46 114.28 106.37 2fkw n THR 8 Ca 0.05 -0.49 -0.03 0.00 -2.27 0.00 0.00 64.05 61.31 2fkw n THR 8 Cb 0.09 -0.28 -0.06 0.00 -2.10 0.00 0.00 70.33 67.98 2fkw n THR 8 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 2fkw n VAL 9 N -2.55 0.46 -4.15 2.28 3.14 -0.83 -4.98 118.33 111.70 2fkw n VAL 9 Ca 0.01 -0.30 -0.34 0.00 -2.96 0.00 0.00 64.34 60.74 2fkw n VAL 9 Cb 0.53 -0.70 -0.10 0.00 -1.06 0.00 0.00 33.84 32.50 2fkw n VAL 9 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 2fkw s VAL 10 N -2.21 4.53 -0.22 1.55 1.01 0.26 -5.06 120.40 120.26 2fkw s VAL 10 Ca -0.04 -0.14 -0.29 0.00 0.00 0.00 0.00 61.98 61.52 2fkw s VAL 10 Cb 0.02 -3.01 -0.02 0.00 0.00 0.00 0.00 36.38 33.38 2fkw s VAL 10 CO 0.30 0.50 1.42 0.21 0.00 0.00 0.00 175.10 177.53 2fkw s ASN 11 N 0.13 6.66 0.55 3.32 3.84 -1.26 -4.29 114.94 123.89 2fkw s ASN 11 Ca 0.03 1.56 0.33 0.00 0.21 0.00 0.00 52.86 55.00 2fkw s ASN 11 Cb -0.13 -2.54 1.48 0.00 -0.55 0.00 0.00 41.25 39.52 2fkw s ASN 11 CO 0.01 -1.03 2.03 1.55 -2.79 0.00 0.00 177.10 176.88 2fkw h PRO 12 N 9.43 0.00 0.00 0.43 0.13 -1.95 0.11 132.00 140.15 2fkw h PRO 12 Ca -0.30 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.82 2fkw h PRO 12 Cb 1.12 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 2fkw h PRO 12 CO 1.00 0.04 -0.06 0.00 -0.23 0.00 0.00 178.00 178.76 2fkw h ALA 13 N 1.96 1.70 0.01 -0.56 0.00 -2.00 -1.18 119.26 119.18 2fkw h ALA 13 Ca -0.00 -0.05 -0.39 0.00 0.00 0.00 0.00 54.91 54.47 2fkw h ALA 13 Cb 0.45 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 2fkw h ALA 13 CO 0.01 0.07 -2.15 -0.89 0.00 0.00 0.00 179.25 176.29 2fkw n ILE 14 N -4.16 1.55 -0.00 0.00 2.08 -0.20 -4.54 119.36 114.08 2fkw n ILE 14 Ca -0.03 -0.34 -0.09 0.00 0.56 0.00 0.00 62.75 62.86 2fkw n ILE 14 Cb 0.14 -1.85 0.07 0.00 -0.75 0.00 0.00 39.64 37.25 2fkw n ILE 14 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 2fkw h GLY 15 N -0.42 0.62 0.69 7.39 0.00 -0.77 -1.23 103.07 109.34 2fkw h GLY 15 Ca -0.57 -0.68 -0.00 0.00 0.00 0.00 0.00 47.33 46.07 2fkw h GLY 15 CO -0.28 0.62 -0.00 -2.22 0.00 0.00 0.00 176.54 174.65 2fkw h ILE 16 N 0.44 1.26 -0.74 2.60 1.08 -1.45 0.46 117.51 121.16 2fkw h ILE 16 Ca 0.02 -0.76 -0.01 0.00 -0.39 0.00 0.00 64.86 63.72 2fkw h ILE 16 Cb 1.03 1.75 -0.04 0.00 -3.07 0.00 0.00 36.82 36.50 2fkw h ILE 16 CO 0.10 0.20 0.41 -0.65 -0.69 0.00 0.00 178.15 177.51 2fkw h PRO 17 N -0.30 1.02 -0.83 2.37 0.11 -1.73 -0.83 132.00 131.80 2fkw h PRO 17 Ca 0.00 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 66.00 2fkw h PRO 17 Cb 0.32 -0.20 -0.04 0.00 0.11 0.00 0.00 31.00 31.19 2fkw h PRO 17 CO 0.00 0.74 0.52 0.00 -0.21 0.00 0.00 178.00 179.05 2fkw h ALA 18 N 1.42 1.35 0.13 -0.75 0.00 -1.08 0.12 119.26 120.46 2fkw h ALA 18 Ca 0.26 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2fkw h ALA 18 Cb 0.02 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.48 2fkw h ALA 18 CO -0.04 0.57 -0.06 1.25 0.00 0.00 0.00 179.25 180.97 2fkw h LEU 19 N 1.13 -0.15 -0.78 0.00 5.85 -0.31 -0.85 115.31 120.20 2fkw h LEU 19 Ca 0.30 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 2fkw h LEU 19 Cb -0.08 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 2fkw h LEU 19 CO -0.06 0.25 0.45 -0.07 -0.34 0.00 0.00 178.44 178.66 2fkw h LEU 20 N -0.57 0.97 -0.44 2.25 3.38 -1.01 -0.83 115.31 119.07 2fkw h LEU 20 Ca -0.02 -0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.73 2fkw h LEU 20 Cb 0.44 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2fkw h LEU 20 CO 0.03 0.77 -0.27 1.23 0.09 0.00 0.00 178.44 180.30 2fkw h GLY 21 N 1.08 1.03 0.96 0.83 0.00 -0.80 -2.54 103.07 103.63 2fkw h GLY 21 Ca 0.28 -0.96 -0.04 0.00 0.00 0.00 0.00 47.33 46.61 2fkw h GLY 21 CO -0.05 0.87 0.14 1.76 0.00 0.00 0.00 176.54 179.27 2fkw h SER 22 N 0.79 0.66 -0.47 0.19 0.02 -0.73 -1.33 113.55 112.67 2fkw h SER 22 Ca 0.09 -0.21 -0.03 0.00 -0.84 0.00 0.00 61.79 60.81 2fkw h SER 22 Cb 0.85 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.19 2fkw h SER 22 CO 0.07 0.69 0.19 0.58 -1.14 0.00 0.00 176.83 177.23 2fkw h VAL 23 N 0.60 1.21 -0.59 2.27 2.07 -1.19 -0.03 116.25 120.59 2fkw h VAL 23 Ca 0.15 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 67.02 2fkw h VAL 23 Cb 0.27 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 2fkw h VAL 23 CO -0.00 0.24 0.39 0.74 0.02 0.00 0.00 177.57 178.95 2fkw h THR 24 N 0.63 1.16 -0.73 2.57 2.02 -1.24 0.11 112.91 117.43 2fkw h THR 24 Ca 0.16 -0.30 -0.04 0.00 0.77 0.00 0.00 66.41 67.00 2fkw h THR 24 Cb 0.20 0.29 -0.03 0.00 -1.74 0.00 0.00 68.15 66.87 2fkw h THR 24 CO -0.01 0.15 0.29 0.58 0.37 0.00 0.00 175.52 176.90 2fkw h VAL 25 N 0.81 1.25 -0.46 3.16 2.07 -1.00 0.60 116.25 122.68 2fkw h VAL 25 Ca 0.22 -0.78 0.01 0.00 0.82 0.00 0.00 66.70 66.96 2fkw h VAL 25 Cb -0.08 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.07 2fkw h VAL 25 CO -0.05 0.32 0.30 0.40 0.02 0.00 0.00 177.57 178.56 2fkw h ILE 26 N 1.04 1.11 -0.39 4.57 2.04 -0.43 -0.01 117.51 125.44 2fkw h ILE 26 Ca 0.24 -0.21 0.05 0.00 1.00 0.00 0.00 64.86 65.95 2fkw h ILE 26 Cb 0.21 0.44 -0.05 0.00 -0.74 0.00 0.00 36.82 36.68 2fkw h ILE 26 CO -0.02 0.11 0.11 0.00 0.00 0.00 0.00 178.15 178.35 2fkw h ALA 27 N 1.18 0.45 -0.86 1.87 0.00 0.23 -0.13 119.26 121.99 2fkw h ALA 27 Ca 0.17 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2fkw h ALA 27 Cb -0.06 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2fkw h ALA 27 CO -0.04 -0.29 0.49 0.82 0.00 0.00 0.00 179.25 180.23 2fkw h ILE 28 N 0.25 1.25 -0.33 0.00 2.04 -0.57 -1.74 117.51 118.41 2fkw h ILE 28 Ca 0.19 -0.58 -0.04 0.00 1.00 0.00 0.00 64.86 65.43 2fkw h ILE 28 Cb 0.20 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.34 2fkw h ILE 28 CO -0.22 0.27 0.06 -0.07 0.00 0.00 0.00 178.15 178.19 2fkw h LEU 29 N 1.19 0.52 -0.29 1.44 3.38 -0.17 -1.03 115.31 120.35 2fkw h LEU 29 Ca 0.30 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 2fkw h LEU 29 Cb 0.00 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2fkw h LEU 29 CO -0.05 0.63 0.17 0.58 0.09 0.00 0.00 178.44 179.87 2fkw h VAL 30 N 0.38 1.10 -0.62 1.22 2.07 -0.85 0.50 116.25 120.04 2fkw h VAL 30 Ca 0.10 -0.23 0.09 0.00 0.82 0.00 0.00 66.70 67.48 2fkw h VAL 30 Cb 0.33 0.74 -0.07 0.00 -1.52 0.00 0.00 31.29 30.77 2fkw h VAL 30 CO 0.00 0.10 0.24 0.45 0.02 0.00 0.00 177.57 178.39 2fkw h HIS 31 N 0.36 0.43 -0.09 1.57 3.86 -1.11 0.01 115.15 120.19 2fkw h HIS 31 Ca 0.10 0.03 -0.12 0.00 -1.16 0.00 0.00 60.37 59.22 2fkw h HIS 31 Cb 0.01 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.37 2fkw h HIS 31 CO -0.04 0.12 -0.49 -0.07 0.86 0.00 0.00 177.93 178.31 2fkw h LEU 32 N 0.43 0.25 -0.02 2.43 3.38 -0.85 -1.03 115.31 119.91 2fkw h LEU 32 Ca 0.31 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 2fkw h LEU 32 Cb 0.37 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 2fkw h LEU 32 CO -0.30 0.70 0.00 0.00 0.09 0.00 0.00 178.44 178.94 2fkw h ALA 33 N 1.31 0.03 -0.70 1.53 0.00 0.22 -1.61 119.26 120.04 2fkw h ALA 33 Ca 0.01 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 2fkw h ALA 33 Cb 0.93 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 2fkw h ALA 33 CO 0.08 -0.34 0.18 0.82 0.00 0.00 0.00 179.25 179.99 2fkw h ILE 34 N -0.22 1.26 -0.84 0.00 2.04 -0.94 -1.06 117.51 117.75 2fkw h ILE 34 Ca 0.01 -0.94 0.07 0.00 1.00 0.00 0.00 64.86 65.00 2fkw h ILE 34 Cb 0.27 0.52 -0.05 0.00 -0.74 0.00 0.00 36.82 36.81 2fkw h ILE 34 CO 0.00 0.36 0.54 0.25 0.00 0.00 0.00 178.15 179.31 2fkw h LEU 35 N 1.05 0.79 -0.89 1.44 5.85 -1.12 -0.93 115.31 121.50 2fkw h LEU 35 Ca 0.22 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.95 2fkw h LEU 35 Cb 0.35 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.22 2fkw h LEU 35 CO -0.00 0.50 -0.35 -1.54 -0.34 0.00 0.00 178.44 176.71 2fkw n SER 36 N -4.49 1.73 -0.15 1.25 3.41 -0.61 -4.15 113.62 110.60 2fkw n SER 36 Ca 0.13 -1.34 0.04 0.00 -0.26 0.00 0.00 58.87 57.44 2fkw n SER 36 Cb 0.24 0.31 0.05 0.00 -0.26 0.00 0.00 64.21 64.55 2fkw n SER 36 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2fkw n HIS 37 N -0.14 0.00 -4.34 7.33 8.25 -0.50 -5.01 115.22 120.81 2fkw n HIS 37 Ca 0.11 -0.49 -0.18 0.00 -0.26 0.00 0.00 57.72 56.90 2fkw n HIS 37 Cb 0.43 -0.08 -0.10 0.00 1.12 0.00 0.00 29.99 31.36 2fkw n HIS 37 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2fkw s THR 38 N -1.32 1.24 -0.13 1.59 -4.23 -0.41 -5.01 115.64 107.38 2fkw s THR 38 Ca 0.12 -2.07 0.19 0.00 -1.18 0.00 0.00 61.69 58.75 2fkw s THR 38 Cb 0.11 -2.29 -0.20 0.00 1.34 0.00 0.00 72.50 71.46 2fkw s THR 38 CO 0.01 -0.39 0.58 0.35 -0.54 0.00 0.00 174.62 174.63 2fkw n THR 39 N -0.43 0.93 0.11 3.99 -2.24 -1.26 -4.59 114.28 110.80 2fkw n THR 39 Ca -0.06 -0.68 0.03 0.00 -2.27 0.00 0.00 64.05 61.07 2fkw n THR 39 Cb 0.63 -0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 2fkw n THR 39 CO 0.00 0.00 0.00 4.11 -0.57 0.00 0.00 175.07 178.61 2fkw h TRP 40 N 0.00 0.00 -0.08 4.78 5.08 -1.95 -1.66 115.95 122.11 2fkw h TRP 40 Ca -0.21 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 59.73 2fkw h TRP 40 Cb 1.57 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.73 2fkw h TRP 40 CO 0.00 0.45 -0.06 0.35 -1.28 0.00 0.00 178.44 177.90 2fkw h PHE 41 N 0.00 0.22 -0.90 0.12 3.04 -1.87 0.46 116.94 118.01 2fkw h PHE 41 Ca -0.05 -0.06 -0.02 0.00 3.98 0.00 0.00 57.97 61.82 2fkw h PHE 41 Cb 1.38 -0.05 -0.04 0.00 2.56 0.00 0.00 35.95 39.80 2fkw h PHE 41 CO 0.00 0.59 0.49 -1.35 -2.02 0.00 0.00 178.31 176.02 2fkw h PRO 42 N -0.21 1.25 -0.21 6.41 0.11 -1.80 -2.76 132.00 134.80 2fkw h PRO 42 Ca 0.02 -0.15 -0.07 0.00 0.11 0.00 0.00 66.00 65.91 2fkw h PRO 42 Cb 0.54 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 2fkw h PRO 42 CO 0.02 0.91 -0.19 0.00 -0.21 0.00 0.00 178.00 178.53 2fkw h ALA 43 N 1.28 1.30 -0.36 -0.75 0.00 -1.21 0.10 119.26 119.62 2fkw h ALA 43 Ca 0.32 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.99 2fkw h ALA 43 Cb 0.03 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 2fkw h ALA 43 CO -0.05 0.47 0.13 -0.92 0.00 0.00 0.00 179.25 178.88 2fkw h TYR 44 N 0.33 0.23 -0.32 0.00 3.20 -0.62 -1.02 116.97 118.77 2fkw h TYR 44 Ca 0.06 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.82 2fkw h TYR 44 Cb 0.53 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.73 2fkw h TYR 44 CO 0.01 0.09 -0.30 -1.49 -1.64 0.00 0.00 178.16 174.83 2fkw h TRP 45 N 0.28 0.78 -0.45 -3.82 6.55 -1.16 -3.12 115.95 115.01 2fkw h TRP 45 Ca 0.16 -0.20 -0.06 0.00 0.95 0.00 0.00 58.89 59.75 2fkw h TRP 45 Cb 0.14 -0.18 -0.02 0.00 -0.86 0.00 0.00 29.16 28.24 2fkw h TRP 45 CO -0.14 0.90 0.04 0.37 -1.05 0.00 0.00 178.44 178.55 2fkw h GLN 46 N 0.58 0.71 0.00 0.49 5.75 -0.16 -3.48 115.11 119.00 2fkw h GLN 46 Ca 0.07 -0.16 0.00 0.00 -0.15 0.00 0.00 58.65 58.41 2fkw h GLN 46 Cb 0.81 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 29.26 2fkw h GLN 46 CO 0.07 0.70 0.00 0.41 -2.65 0.00 0.00 178.83 177.36 2fkw n GLY 47 N -0.79 0.25 3.74 2.39 0.00 -0.45 -4.91 105.19 105.42 2fkw n GLY 47 Ca 0.03 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.15 2fkw n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fkw n GLY 48 N 0.00 1.61 3.56 -0.02 0.00 -1.26 -4.94 105.19 104.15 2fkw n GLY 48 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2fkw n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fkw s VAL 49 N -2.29 4.17 0.00 1.61 0.11 -1.26 -4.95 120.40 117.79 2fkw s VAL 49 Ca 0.00 -1.76 0.00 0.00 -2.93 0.00 0.00 61.98 57.29 2fkw s VAL 49 Cb 0.00 -5.14 0.00 0.00 -1.53 0.00 0.00 36.38 29.71 2fkw s VAL 49 CO 0.00 -1.97 0.00 0.29 -3.33 0.00 0.00 175.10 170.09 2fkw n LYS 50 N 8.21 0.00 0.00 1.54 4.76 -1.26 -5.05 118.16 126.36 2fkw n LYS 50 Ca 0.45 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.89 2fkw n LYS 50 Cb 0.47 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.66 2fkw n LYS 50 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 2fkw n LYS 51 N 0.00 0.00 0.00 1.97 2.85 -1.26 -5.01 118.16 116.71 2fkw n LYS 51 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2fkw n LYS 51 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 2fkw n LYS 51 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2fkw n ALA 52 N -0.26 0.00 -0.66 0.58 0.00 -1.26 -5.37 120.51 113.54 2fkw n ALA 52 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2fkw n ALA 52 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.42 2fkw n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50