#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 2.79 0.00 -3.83 1.13 -1.26 -4.68 117.38 111.53 2fkw n GLN 3 Ca 0.00 -3.06 0.11 0.00 -1.94 0.00 0.00 57.00 52.11 2fkw n GLN 3 Cb 0.00 -2.15 0.51 0.00 0.11 0.00 0.00 30.24 28.72 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 -0.75 -1.27 0.45 1.08 0.00 -1.26 -1.19 105.19 102.25 2fkw n GLY 4 Ca 0.49 -0.09 0.14 0.00 0.00 0.00 0.00 46.02 46.56 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 -1.47 1.62 0.04 1.61 4.01 -1.26 -4.31 118.16 118.40 2fkw n LYS 5 Ca 0.06 -0.90 0.14 0.00 -0.51 0.00 0.00 58.31 57.11 2fkw n LYS 5 Cb 0.26 -1.47 0.61 0.00 -0.51 0.00 0.00 35.03 33.92 2fkw n LYS 5 CO 0.00 0.00 0.00 0.97 -1.11 0.00 0.00 177.40 177.26 2fkw h ILE 6 N 2.16 0.87 -0.10 -0.18 6.09 -1.54 -0.07 117.51 124.73 2fkw h ILE 6 Ca 0.00 -0.05 0.00 0.00 -1.37 0.00 0.00 64.86 63.44 2fkw h ILE 6 Cb 0.46 0.71 0.00 0.00 0.47 0.00 0.00 36.82 38.46 2fkw h ILE 6 CO 0.00 0.03 0.00 0.79 -3.07 0.00 0.00 178.15 175.90 2fkw n TRP 7 N -4.45 0.13 0.24 2.19 7.02 -1.26 -0.43 117.44 120.88 2fkw n TRP 7 Ca 0.06 -0.07 0.12 0.00 -1.02 0.00 0.00 57.50 56.59 2fkw n TRP 7 Cb 0.38 0.00 0.06 0.00 -2.42 0.00 0.00 31.31 29.33 2fkw n TRP 7 CO 0.00 0.00 0.00 1.79 -2.02 0.00 0.00 177.69 177.46 2fkw h THR 8 N 0.77 0.00 0.00 -0.99 1.35 -1.32 -3.41 112.91 109.32 2fkw h THR 8 Ca 0.00 -0.86 -0.07 0.00 -0.55 0.00 0.00 66.41 64.93 2fkw h THR 8 Cb 0.17 1.43 -0.01 0.00 -1.73 0.00 0.00 68.15 68.01 2fkw h THR 8 CO 0.00 0.00 -1.26 1.33 -0.25 0.00 0.00 175.52 175.34 2fkw n VAL 9 N -2.57 0.26 -3.89 6.82 0.24 -0.71 -4.99 118.33 113.50 2fkw n VAL 9 Ca 0.01 -0.15 -0.35 0.00 -2.04 0.00 0.00 64.34 61.81 2fkw n VAL 9 Cb 0.52 -0.87 -0.09 0.00 -1.47 0.00 0.00 33.84 31.93 2fkw n VAL 9 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2fkw s VAL 10 N -2.09 5.06 -0.24 3.34 1.01 0.42 -5.06 120.40 122.84 2fkw s VAL 10 Ca -0.02 0.06 -0.29 0.00 0.00 0.00 0.00 61.98 61.73 2fkw s VAL 10 Cb 0.01 -3.29 -0.00 0.00 0.00 0.00 0.00 36.38 33.10 2fkw s VAL 10 CO 0.15 0.46 1.23 0.21 0.00 0.00 0.00 175.10 177.15 2fkw s ASN 11 N 0.32 6.86 0.50 3.32 2.47 -1.26 -4.29 114.94 122.85 2fkw s ASN 11 Ca 0.05 1.40 0.24 0.00 0.42 0.00 0.00 52.86 54.97 2fkw s ASN 11 Cb -0.12 -2.54 1.31 0.00 -1.45 0.00 0.00 41.25 38.45 2fkw s ASN 11 CO -0.01 -0.89 2.04 -0.65 -3.72 0.00 0.00 177.10 173.87 2fkw h PRO 12 N 8.53 0.00 -0.53 0.43 0.11 -1.95 0.21 132.00 138.79 2fkw h PRO 12 Ca -0.25 0.00 0.14 0.00 0.11 0.00 0.00 66.00 66.00 2fkw h PRO 12 Cb 1.09 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 2fkw h PRO 12 CO 1.00 0.15 0.37 0.00 -0.21 0.00 0.00 178.00 179.31 2fkw h ALA 13 N 1.85 2.36 0.00 -0.75 0.00 -2.00 -1.64 119.26 119.09 2fkw h ALA 13 Ca -0.00 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.56 2fkw h ALA 13 Cb 0.36 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 2fkw h ALA 13 CO 0.02 -0.50 -2.25 -0.89 0.00 0.00 0.00 179.25 175.63 2fkw n ILE 14 N -4.41 1.26 -0.12 0.00 5.41 -0.01 -4.61 119.36 116.87 2fkw n ILE 14 Ca 0.09 -0.47 -0.10 0.00 1.00 0.00 0.00 62.75 63.27 2fkw n ILE 14 Cb 0.53 -1.30 -0.02 0.00 -0.71 0.00 0.00 39.64 38.14 2fkw n ILE 14 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 2fkw h GLY 15 N 1.57 0.65 0.66 7.39 0.00 -0.51 -1.85 103.07 110.98 2fkw h GLY 15 Ca -0.49 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 46.39 2fkw h GLY 15 CO -0.09 0.41 -0.00 -2.22 0.00 0.00 0.00 176.54 174.64 2fkw h ILE 16 N 0.43 1.28 -0.85 2.60 2.04 -1.55 -0.58 117.51 120.89 2fkw h ILE 16 Ca 0.11 -0.84 0.07 0.00 1.00 0.00 0.00 64.86 65.20 2fkw h ILE 16 Cb 0.38 1.82 -0.06 0.00 -0.74 0.00 0.00 36.82 38.22 2fkw h ILE 16 CO 0.01 0.22 0.55 -0.65 0.00 0.00 0.00 178.15 178.28 2fkw h PRO 17 N -0.31 0.88 -0.61 2.37 0.11 -1.75 0.20 132.00 132.87 2fkw h PRO 17 Ca 0.00 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.98 2fkw h PRO 17 Cb 0.36 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.25 2fkw h PRO 17 CO 0.00 0.58 0.07 0.00 -0.21 0.00 0.00 178.00 178.44 2fkw h ALA 18 N 1.55 0.96 0.09 -0.75 0.00 -1.17 0.15 119.26 120.10 2fkw h ALA 18 Ca 0.37 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2fkw h ALA 18 Cb 0.28 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2fkw h ALA 18 CO -0.14 0.64 -0.05 1.25 0.00 0.00 0.00 179.25 180.96 2fkw h LEU 19 N 0.95 -0.11 -0.51 0.00 5.85 -0.39 0.16 115.31 121.27 2fkw h LEU 19 Ca 0.18 -0.11 -0.15 0.00 0.84 0.00 0.00 57.88 58.64 2fkw h LEU 19 Cb 0.46 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 2fkw h LEU 19 CO 0.02 0.05 -0.38 -0.07 -0.34 0.00 0.00 178.44 177.71 2fkw h LEU 20 N -0.26 0.85 -0.63 2.25 3.38 -0.85 -1.11 115.31 118.93 2fkw h LEU 20 Ca -0.01 -0.38 -0.08 0.00 0.09 0.00 0.00 57.88 57.50 2fkw h LEU 20 Cb 0.22 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2fkw h LEU 20 CO 0.02 1.13 0.10 1.23 0.09 0.00 0.00 178.44 181.01 2fkw h GLY 21 N 0.89 1.13 0.73 0.83 0.00 -0.70 -2.62 103.07 103.34 2fkw h GLY 21 Ca 0.06 -0.76 -0.02 0.00 0.00 0.00 0.00 47.33 46.61 2fkw h GLY 21 CO 0.09 0.70 -0.01 1.76 0.00 0.00 0.00 176.54 179.08 2fkw h SER 22 N 0.96 0.16 -0.43 0.19 0.02 -0.28 -0.63 113.55 113.55 2fkw h SER 22 Ca 0.19 -0.33 0.06 0.00 -0.84 0.00 0.00 61.79 60.87 2fkw h SER 22 Cb 0.44 -0.04 -0.05 0.00 0.14 0.00 0.00 62.40 62.88 2fkw h SER 22 CO 0.01 0.45 0.11 0.58 -1.14 0.00 0.00 176.83 176.85 2fkw h VAL 23 N -0.14 0.82 -0.77 2.27 2.07 -1.28 0.19 116.25 119.40 2fkw h VAL 23 Ca 0.02 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 2fkw h VAL 23 Cb 0.37 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 2fkw h VAL 23 CO 0.01 0.05 0.45 0.74 0.02 0.00 0.00 177.57 178.84 2fkw h THR 24 N 0.26 1.22 -0.75 2.57 2.02 -1.34 -0.26 112.91 116.64 2fkw h THR 24 Ca 0.20 -0.51 -0.04 0.00 0.77 0.00 0.00 66.41 66.84 2fkw h THR 24 Cb 0.23 0.16 -0.03 0.00 -1.74 0.00 0.00 68.15 66.76 2fkw h THR 24 CO -0.24 0.24 0.31 0.58 0.37 0.00 0.00 175.52 176.78 2fkw h VAL 25 N 1.06 1.25 0.24 3.16 2.07 -0.25 -1.42 116.25 122.37 2fkw h VAL 25 Ca 0.28 -0.77 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 2fkw h VAL 25 Cb -0.02 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 2fkw h VAL 25 CO -0.05 0.31 -0.12 0.40 0.02 0.00 0.00 177.57 178.14 2fkw h ILE 26 N 1.07 0.78 -0.74 4.57 2.04 0.00 -0.72 117.51 124.51 2fkw h ILE 26 Ca 0.25 -0.11 0.16 0.00 1.00 0.00 0.00 64.86 66.16 2fkw h ILE 26 Cb 0.19 0.85 -0.11 0.00 -0.74 0.00 0.00 36.82 37.01 2fkw h ILE 26 CO -0.02 0.02 0.15 0.00 0.00 0.00 0.00 178.15 178.30 2fkw h ALA 27 N 0.37 0.93 -0.28 1.87 0.00 -0.88 0.17 119.26 121.44 2fkw h ALA 27 Ca -0.03 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2fkw h ALA 27 Cb 0.29 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2fkw h ALA 27 CO 0.05 -0.36 0.17 0.82 0.00 0.00 0.00 179.25 179.93 2fkw h ILE 28 N 0.24 1.10 -0.72 0.00 2.04 -1.05 -2.01 117.51 117.11 2fkw h ILE 28 Ca 0.42 -0.24 0.03 0.00 1.00 0.00 0.00 64.86 66.07 2fkw h ILE 28 Cb 0.72 0.76 -0.05 0.00 -0.74 0.00 0.00 36.82 37.52 2fkw h ILE 28 CO -0.53 0.10 0.45 -0.07 0.00 0.00 0.00 178.15 178.09 2fkw h LEU 29 N 0.35 0.73 -0.31 1.44 3.38 0.78 -0.19 115.31 121.49 2fkw h LEU 29 Ca 0.10 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 2fkw h LEU 29 Cb 0.02 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2fkw h LEU 29 CO -0.02 0.50 -0.04 0.58 0.09 0.00 0.00 178.44 179.56 2fkw h VAL 30 N 0.87 1.27 -0.52 1.22 2.07 -0.79 0.13 116.25 120.51 2fkw h VAL 30 Ca 0.29 -1.03 0.04 0.00 0.82 0.00 0.00 66.70 66.82 2fkw h VAL 30 Cb 0.03 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 2fkw h VAL 30 CO -0.11 0.33 0.27 0.45 0.02 0.00 0.00 177.57 178.53 2fkw h HIS 31 N 0.36 0.49 -0.29 1.57 3.86 -1.00 0.24 115.15 120.38 2fkw h HIS 31 Ca 0.08 0.02 -0.12 0.00 -1.16 0.00 0.00 60.37 59.20 2fkw h HIS 31 Cb 0.50 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.81 2fkw h HIS 31 CO 0.04 0.25 -0.31 -0.07 0.86 0.00 0.00 177.93 178.70 2fkw h LEU 32 N 0.52 0.63 0.31 2.43 3.38 -0.68 -0.25 115.31 121.65 2fkw h LEU 32 Ca 0.23 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2fkw h LEU 32 Cb 0.12 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2fkw h LEU 32 CO -0.15 0.90 -0.15 0.00 0.09 0.00 0.00 178.44 179.13 2fkw h ALA 33 N 1.14 -0.41 -0.80 1.53 0.00 -0.04 -1.84 119.26 118.83 2fkw h ALA 33 Ca 0.06 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.87 2fkw h ALA 33 Cb 0.79 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 2fkw h ALA 33 CO 0.06 -0.68 0.52 0.82 0.00 0.00 0.00 179.25 179.97 2fkw h ILE 34 N -0.51 1.16 -0.36 0.00 2.04 -0.81 -1.14 117.51 117.89 2fkw h ILE 34 Ca -0.04 -0.36 -0.00 0.00 1.00 0.00 0.00 64.86 65.46 2fkw h ILE 34 Cb 0.38 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 2fkw h ILE 34 CO 0.07 0.19 0.21 0.25 0.00 0.00 0.00 178.15 178.87 2fkw h LEU 35 N 1.04 0.43 0.00 1.44 5.85 -0.90 -1.97 115.31 121.19 2fkw h LEU 35 Ca 0.31 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.97 2fkw h LEU 35 Cb -0.05 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 2fkw h LEU 35 CO -0.09 0.34 -0.49 0.28 -0.34 0.00 0.00 178.44 178.13 2fkw h SER 36 N 0.50 0.00 -0.04 1.25 0.02 -0.40 -3.37 113.55 111.51 2fkw h SER 36 Ca 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2fkw h SER 36 Cb -0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.53 2fkw h SER 36 CO -0.02 0.15 0.00 1.41 -1.14 0.00 0.00 176.83 177.23 2fkw n HIS 37 N -3.00 0.11 -4.17 3.45 8.25 -0.54 -5.00 115.22 114.33 2fkw n HIS 37 Ca 0.01 -0.88 -0.11 0.00 -0.26 0.00 0.00 57.72 56.49 2fkw n HIS 37 Cb 0.61 -0.14 -0.10 0.00 1.12 0.00 0.00 29.99 31.47 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 -2.46 0.71 -0.18 1.59 -4.23 -0.81 -5.01 115.64 105.24 2fkw s THR 38 Ca 0.27 -1.94 0.19 0.00 -1.18 0.00 0.00 61.69 59.03 2fkw s THR 38 Cb 0.23 -1.69 -0.05 0.00 1.34 0.00 0.00 72.50 72.33 2fkw s THR 38 CO 0.03 -0.87 0.98 0.71 -0.54 0.00 0.00 174.62 174.93 2fkw h THR 39 N 2.96 0.29 0.04 3.99 1.35 -1.89 -3.41 112.91 116.24 2fkw h THR 39 Ca -0.35 -1.55 -0.24 0.00 -0.55 0.00 0.00 66.41 63.72 2fkw h THR 39 Cb 1.17 1.82 -0.02 0.00 -1.73 0.00 0.00 68.15 69.39 2fkw h THR 39 CO 0.65 0.16 -1.17 4.11 -0.25 0.00 0.00 175.52 179.02 2fkw h TRP 40 N 0.00 0.15 0.09 4.73 5.08 -1.94 -2.40 115.95 121.66 2fkw h TRP 40 Ca -0.08 -0.11 -0.00 0.00 1.08 0.00 0.00 58.89 59.77 2fkw h TRP 40 Cb 1.30 -0.01 0.00 0.00 -3.00 0.00 0.00 29.16 27.46 2fkw h TRP 40 CO 0.00 1.10 -0.04 0.35 -1.28 0.00 0.00 178.44 178.57 2fkw h PHE 41 N 0.02 -0.11 -0.76 0.12 3.04 -1.89 0.69 116.94 118.06 2fkw h PHE 41 Ca -0.08 -0.00 0.13 0.00 3.98 0.00 0.00 57.97 62.00 2fkw h PHE 41 Cb 1.86 0.04 -0.09 0.00 2.56 0.00 0.00 35.95 40.32 2fkw h PHE 41 CO 0.02 0.23 0.34 -1.35 -2.02 0.00 0.00 178.31 175.53 2fkw h PRO 42 N -0.46 0.49 -0.14 6.41 0.11 -1.78 -2.10 132.00 134.54 2fkw h PRO 42 Ca -0.01 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.00 2fkw h PRO 42 Cb 0.39 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.37 2fkw h PRO 42 CO 0.02 0.33 -0.22 0.00 -0.21 0.00 0.00 178.00 177.91 2fkw h ALA 43 N 1.52 1.38 -0.44 -0.75 0.00 -1.22 0.31 119.26 120.05 2fkw h ALA 43 Ca 0.41 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 55.06 2fkw h ALA 43 Cb 0.58 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 2fkw h ALA 43 CO -0.37 0.43 0.27 -0.92 0.00 0.00 0.00 179.25 178.66 2fkw h TYR 44 N 0.22 0.51 -0.23 0.00 3.20 -0.16 -0.55 116.97 119.95 2fkw h TYR 44 Ca 0.04 0.01 -0.18 0.00 3.14 0.00 0.00 58.73 61.75 2fkw h TYR 44 Cb 0.52 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.62 2fkw h TYR 44 CO 0.01 0.30 -0.57 -1.49 -1.64 0.00 0.00 178.16 174.77 2fkw h TRP 45 N 0.54 0.89 -0.83 -3.82 6.55 -1.13 -3.13 115.95 115.02 2fkw h TRP 45 Ca 0.17 -0.32 0.03 0.00 0.95 0.00 0.00 58.89 59.72 2fkw h TRP 45 Cb -0.01 -0.17 -0.05 0.00 -0.86 0.00 0.00 29.16 28.08 2fkw h TRP 45 CO -0.06 1.11 0.55 0.37 -1.05 0.00 0.00 178.44 179.35 2fkw h GLN 46 N 0.54 1.03 0.00 0.49 5.75 0.04 -3.48 115.11 119.47 2fkw h GLN 46 Ca 0.01 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.45 2fkw h GLN 46 Cb 1.14 -0.23 0.00 0.00 1.07 0.00 0.00 27.48 29.46 2fkw h GLN 46 CO 0.12 0.68 0.00 0.41 -2.65 0.00 0.00 178.83 177.38 2fkw n GLY 47 N -1.41 1.03 3.83 2.39 0.00 -0.25 -4.91 105.19 105.88 2fkw n GLY 47 Ca 0.10 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 1.90 3.57 -0.02 0.00 -1.26 -4.93 105.19 104.45 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 -2.01 4.13 0.00 1.61 0.11 -1.26 -4.83 120.40 118.16 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 -5.16 0.00 0.00 -1.53 0.00 0.00 36.38 29.69 2fkw s VAL 49 CO 0.00 -1.99 0.00 0.29 -3.33 0.00 0.00 175.10 170.07 2fkw n LYS 50 N 8.34 0.00 -3.65 1.54 5.02 -1.26 -5.10 118.16 123.04 2fkw n LYS 50 Ca 0.46 0.36 0.02 0.00 -2.02 0.00 0.00 58.31 57.13 2fkw n LYS 50 Cb 0.47 -0.85 -0.06 0.00 -0.02 0.00 0.00 35.03 34.56 2fkw n LYS 50 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2fkw s LYS 51 N -0.88 0.08 0.00 1.97 1.02 -1.26 -5.19 119.74 115.49 2fkw s LYS 51 Ca 0.00 0.14 0.00 0.00 0.02 0.00 0.00 55.97 56.13 2fkw s LYS 51 Cb 0.00 0.02 0.00 0.00 -0.52 0.00 0.00 37.83 37.33 2fkw s LYS 51 CO 0.00 -0.02 0.00 0.00 -0.92 0.00 0.00 175.35 174.41 2fkw n ALA 52 N 3.15 0.00 -0.58 5.17 0.00 -1.26 -5.29 120.51 121.70 2fkw n ALA 52 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2fkw n ALA 52 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 2fkw n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50