#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 4.25 0.00 -3.83 1.13 -1.26 -4.70 117.38 112.98 2fkw n GLN 3 Ca 0.00 -3.04 0.12 0.00 -1.94 0.00 0.00 57.00 52.14 2fkw n GLN 3 Cb 0.00 -2.23 0.69 0.00 0.11 0.00 0.00 30.24 28.81 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 0.24 -0.81 0.61 1.08 0.00 -1.26 -1.23 105.19 103.82 2fkw n GLY 4 Ca 0.34 -0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.34 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 -1.06 1.75 -0.26 1.61 4.01 -1.26 -4.47 118.16 118.48 2fkw n LYS 5 Ca 0.17 -1.23 0.14 0.00 -0.51 0.00 0.00 58.31 56.87 2fkw n LYS 5 Cb 0.10 -1.47 0.42 0.00 -0.51 0.00 0.00 35.03 33.56 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 3.01 0.78 -0.03 -0.18 6.09 -1.56 0.07 117.51 125.69 2fkw h ILE 6 Ca 0.00 -0.21 0.00 0.00 -1.37 0.00 0.00 64.86 63.28 2fkw h ILE 6 Cb 0.69 0.12 0.00 0.00 0.47 0.00 0.00 36.82 38.10 2fkw h ILE 6 CO 0.00 0.11 0.00 0.79 -3.07 0.00 0.00 178.15 175.98 2fkw n TRP 7 N -4.56 0.05 0.37 2.19 7.02 -1.26 -0.73 117.44 120.51 2fkw n TRP 7 Ca 0.18 -0.02 0.12 0.00 -1.02 0.00 0.00 57.50 56.75 2fkw n TRP 7 Cb 0.54 -0.01 0.04 0.00 -2.42 0.00 0.00 31.31 29.46 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 -0.38 0.37 -0.05 -0.99 -2.24 0.01 -4.50 114.28 106.50 2fkw n THR 8 Ca 0.01 -0.38 -0.07 0.00 -2.27 0.00 0.00 64.05 61.35 2fkw n THR 8 Cb 0.04 -0.09 -0.06 0.00 -2.10 0.00 0.00 70.33 68.12 2fkw n THR 8 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 2fkw n VAL 9 N -2.28 0.62 -3.80 2.28 0.24 -0.62 -4.99 118.33 109.79 2fkw n VAL 9 Ca 0.01 -0.28 -0.35 0.00 -2.04 0.00 0.00 64.34 61.68 2fkw n VAL 9 Cb 0.49 -0.85 -0.08 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 -2.22 5.35 -0.39 3.34 1.01 0.09 -5.04 120.40 122.54 2fkw s VAL 10 Ca -0.12 0.16 -0.29 0.00 0.00 0.00 0.00 61.98 61.74 2fkw s VAL 10 Cb 0.03 -3.41 0.01 0.00 0.00 0.00 0.00 36.38 33.01 2fkw s VAL 10 CO 0.28 0.48 1.27 0.21 0.00 0.00 0.00 175.10 177.34 2fkw s ASN 11 N 0.05 6.58 0.58 3.32 2.47 -1.26 -4.28 114.94 122.39 2fkw s ASN 11 Ca 0.09 0.86 0.32 0.00 0.42 0.00 0.00 52.86 54.55 2fkw s ASN 11 Cb -0.11 -2.54 1.76 0.00 -1.45 0.00 0.00 41.25 38.91 2fkw s ASN 11 CO -0.00 -1.22 2.19 1.55 -3.72 0.00 0.00 177.10 175.90 2fkw h PRO 12 N 9.59 0.00 -0.16 0.43 0.13 -1.95 0.13 132.00 140.17 2fkw h PRO 12 Ca -0.25 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.93 2fkw h PRO 12 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 2fkw h PRO 12 CO 1.08 0.05 0.13 0.00 -0.23 0.00 0.00 178.00 179.02 2fkw h ALA 13 N 1.95 2.03 0.01 -0.56 0.00 -2.00 -1.92 119.26 118.78 2fkw h ALA 13 Ca -0.00 -0.01 -0.38 0.00 0.00 0.00 0.00 54.91 54.53 2fkw h ALA 13 Cb 0.16 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 2fkw h ALA 13 CO 0.01 -0.21 -2.11 -0.89 0.00 0.00 0.00 179.25 176.05 2fkw n ILE 14 N -4.30 1.55 -0.18 0.00 2.08 0.03 -4.54 119.36 114.01 2fkw n ILE 14 Ca 0.01 -0.33 -0.11 0.00 0.56 0.00 0.00 62.75 62.88 2fkw n ILE 14 Cb 0.25 -1.85 0.01 0.00 -0.75 0.00 0.00 39.64 37.30 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 -0.36 1.11 0.80 7.39 0.00 -0.65 -1.12 103.07 110.24 2fkw h GLY 15 Ca -0.56 -0.92 -0.04 0.00 0.00 0.00 0.00 47.33 45.81 2fkw h GLY 15 CO -0.27 0.84 -0.03 -2.22 0.00 0.00 0.00 176.54 174.87 2fkw h ILE 16 N 0.90 1.28 -0.73 2.60 2.04 -1.59 0.14 117.51 122.13 2fkw h ILE 16 Ca 0.13 -0.96 -0.02 0.00 1.00 0.00 0.00 64.86 65.01 2fkw h ILE 16 Cb 0.71 1.54 -0.03 0.00 -0.74 0.00 0.00 36.82 38.30 2fkw h ILE 16 CO 0.05 0.29 0.38 -0.65 0.00 0.00 0.00 178.15 178.22 2fkw h PRO 17 N 0.07 1.03 -0.60 2.37 0.11 -1.74 -0.37 132.00 132.88 2fkw h PRO 17 Ca 0.05 -0.13 -0.06 0.00 0.11 0.00 0.00 66.00 65.97 2fkw h PRO 17 Cb 0.45 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 31.34 2fkw h PRO 17 CO 0.01 0.78 0.14 0.00 -0.21 0.00 0.00 178.00 178.72 2fkw h ALA 18 N 1.38 1.13 0.29 -0.75 0.00 -0.94 0.99 119.26 121.35 2fkw h ALA 18 Ca 0.26 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2fkw h ALA 18 Cb 0.06 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2fkw h ALA 18 CO -0.04 0.59 -0.14 1.25 0.00 0.00 0.00 179.25 180.91 2fkw h LEU 19 N 0.89 -0.33 -0.66 0.00 5.85 -0.41 -1.45 115.31 119.21 2fkw h LEU 19 Ca 0.19 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 2fkw h LEU 19 Cb 0.32 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 2fkw h LEU 19 CO -0.00 -0.06 0.32 -0.07 -0.34 0.00 0.00 178.44 178.29 2fkw h LEU 20 N -0.60 0.86 -0.43 2.25 3.38 -0.95 -1.18 115.31 118.65 2fkw h LEU 20 Ca -0.04 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 2fkw h LEU 20 Cb 0.43 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2fkw h LEU 20 CO 0.06 0.75 0.24 1.23 0.09 0.00 0.00 178.44 180.81 2fkw h GLY 21 N 0.91 0.64 0.90 0.83 0.00 -0.84 -2.51 103.07 103.00 2fkw h GLY 21 Ca 0.23 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 47.24 2fkw h GLY 21 CO -0.03 0.28 0.07 1.76 0.00 0.00 0.00 176.54 178.62 2fkw h SER 22 N 0.56 0.47 -0.83 0.19 0.02 -0.87 -0.22 113.55 112.88 2fkw h SER 22 Ca 0.15 -0.24 0.01 0.00 -0.84 0.00 0.00 61.79 60.87 2fkw h SER 22 Cb 0.05 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.43 2fkw h SER 22 CO -0.02 0.59 0.55 0.58 -1.14 0.00 0.00 176.83 177.38 2fkw h VAL 23 N 0.34 1.21 -0.61 2.27 2.07 -1.22 -0.88 116.25 119.44 2fkw h VAL 23 Ca 0.10 -0.39 -0.07 0.00 0.82 0.00 0.00 66.70 67.15 2fkw h VAL 23 Cb 0.30 -0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.05 2fkw h VAL 23 CO 0.00 0.21 0.09 0.74 0.02 0.00 0.00 177.57 178.63 2fkw h THR 24 N 1.12 1.26 -0.84 2.57 2.02 -1.16 -0.90 112.91 116.97 2fkw h THR 24 Ca 0.30 -1.01 -0.01 0.00 0.77 0.00 0.00 66.41 66.46 2fkw h THR 24 Cb -0.13 0.73 -0.04 0.00 -1.74 0.00 0.00 68.15 66.98 2fkw h THR 24 CO -0.06 0.37 0.50 0.58 0.37 0.00 0.00 175.52 177.28 2fkw h VAL 25 N 0.92 1.24 -0.03 3.16 2.07 -0.58 -0.14 116.25 122.90 2fkw h VAL 25 Ca 0.18 -0.52 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 2fkw h VAL 25 Cb 0.44 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.26 2fkw h VAL 25 CO 0.01 0.25 0.01 0.40 0.02 0.00 0.00 177.57 178.26 2fkw h ILE 26 N 1.16 1.17 -0.53 4.57 2.04 -0.87 -0.56 117.51 124.48 2fkw h ILE 26 Ca 0.30 -0.50 0.11 0.00 1.00 0.00 0.00 64.86 65.77 2fkw h ILE 26 Cb -0.04 1.46 -0.10 0.00 -0.74 0.00 0.00 36.82 37.40 2fkw h ILE 26 CO -0.06 0.13 -0.08 0.00 0.00 0.00 0.00 178.15 178.14 2fkw h ALA 27 N 0.81 0.42 -0.53 1.87 0.00 -1.00 0.29 119.26 121.12 2fkw h ALA 27 Ca 0.01 0.19 0.07 0.00 0.00 0.00 0.00 54.91 55.18 2fkw h ALA 27 Cb 0.21 0.36 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 2fkw h ALA 27 CO -0.00 -0.42 0.20 0.82 0.00 0.00 0.00 179.25 179.84 2fkw h ILE 28 N 0.04 0.83 -0.43 0.00 2.04 -0.64 -1.19 117.51 118.16 2fkw h ILE 28 Ca 0.26 -0.13 -0.04 0.00 1.00 0.00 0.00 64.86 65.96 2fkw h ILE 28 Cb 0.41 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 2fkw h ILE 28 CO -0.51 0.07 0.13 -0.07 0.00 0.00 0.00 178.15 177.77 2fkw h LEU 29 N 0.38 0.64 -0.31 1.44 3.38 0.67 -0.42 115.31 121.10 2fkw h LEU 29 Ca 0.25 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2fkw h LEU 29 Cb 0.27 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2fkw h LEU 29 CO -0.25 0.68 0.18 0.58 0.09 0.00 0.00 178.44 179.71 2fkw h VAL 30 N 0.56 1.12 -0.44 1.22 2.07 -0.26 0.19 116.25 120.70 2fkw h VAL 30 Ca 0.14 -0.30 0.08 0.00 0.82 0.00 0.00 66.70 67.44 2fkw h VAL 30 Cb 0.27 0.76 -0.06 0.00 -1.52 0.00 0.00 31.29 30.74 2fkw h VAL 30 CO -0.00 0.12 0.06 0.45 0.02 0.00 0.00 177.57 178.22 2fkw h HIS 31 N 0.38 0.09 -0.40 1.57 3.86 -0.86 -0.90 115.15 118.89 2fkw h HIS 31 Ca 0.11 0.03 -0.12 0.00 -1.16 0.00 0.00 60.37 59.23 2fkw h HIS 31 Cb 0.04 0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.52 2fkw h HIS 31 CO -0.04 -0.03 -0.22 -0.07 0.86 0.00 0.00 177.93 178.44 2fkw h LEU 32 N 0.19 0.82 -0.15 2.43 3.38 -0.29 -0.62 115.31 121.07 2fkw h LEU 32 Ca 0.22 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 2fkw h LEU 32 Cb 0.29 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2fkw h LEU 32 CO -0.31 1.01 0.05 0.00 0.09 0.00 0.00 178.44 179.28 2fkw h ALA 33 N 1.05 0.19 -0.78 1.53 0.00 -0.22 -1.73 119.26 119.30 2fkw h ALA 33 Ca 0.10 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2fkw h ALA 33 Cb 0.74 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 2fkw h ALA 33 CO 0.06 -0.20 0.39 0.82 0.00 0.00 0.00 179.25 180.31 2fkw h ILE 34 N 0.07 1.24 -0.70 0.00 2.04 -0.93 -0.98 117.51 118.25 2fkw h ILE 34 Ca 0.05 -0.65 0.01 0.00 1.00 0.00 0.00 64.86 65.27 2fkw h ILE 34 Cb 0.19 0.22 -0.04 0.00 -0.74 0.00 0.00 36.82 36.46 2fkw h ILE 34 CO -0.00 0.28 0.47 0.25 0.00 0.00 0.00 178.15 179.14 2fkw h LEU 35 N 1.10 0.80 0.00 1.44 5.85 -0.86 -2.29 115.31 121.35 2fkw h LEU 35 Ca 0.27 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.97 2fkw h LEU 35 Cb 0.08 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.91 2fkw h LEU 35 CO -0.04 0.58 -0.38 0.28 -0.34 0.00 0.00 178.44 178.54 2fkw h SER 36 N 0.95 0.00 0.00 1.25 0.02 -0.28 -3.37 113.55 112.12 2fkw h SER 36 Ca 0.26 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 2fkw h SER 36 Cb -0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.44 2fkw h SER 36 CO -0.06 0.02 -0.00 1.41 -1.14 0.00 0.00 176.83 177.06 2fkw n HIS 37 N -2.66 0.00 -4.34 3.45 8.25 -0.78 -4.99 115.22 114.14 2fkw n HIS 37 Ca 0.03 -0.51 -0.18 0.00 -0.26 0.00 0.00 57.72 56.80 2fkw n HIS 37 Cb 0.50 -0.05 -0.10 0.00 1.12 0.00 0.00 29.99 31.45 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 -1.08 1.29 -0.13 1.59 -4.23 -0.90 -5.02 115.64 107.17 2fkw s THR 38 Ca 0.02 -2.08 0.18 0.00 -1.18 0.00 0.00 61.69 58.64 2fkw s THR 38 Cb 0.02 -2.25 -0.21 0.00 1.34 0.00 0.00 72.50 71.39 2fkw s THR 38 CO 0.00 -0.42 0.52 0.35 -0.54 0.00 0.00 174.62 174.53 2fkw n THR 39 N -0.42 1.01 0.07 3.99 -2.24 -1.26 -4.55 114.28 110.87 2fkw n THR 39 Ca -0.06 -0.70 -0.07 0.00 -2.27 0.00 0.00 64.05 60.95 2fkw n THR 39 Cb 0.63 -0.50 -0.10 0.00 -2.10 0.00 0.00 70.33 68.25 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 0.20 4.78 5.08 -1.95 -1.49 115.95 122.57 2fkw h TRP 40 Ca -0.25 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.71 2fkw h TRP 40 Cb 1.67 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.83 2fkw h TRP 40 CO 0.00 0.97 -0.09 0.35 -1.28 0.00 0.00 178.44 178.39 2fkw h PHE 41 N 0.00 -0.25 -0.75 0.12 3.04 -1.88 0.17 116.94 117.40 2fkw h PHE 41 Ca -0.01 -0.01 0.05 0.00 3.98 0.00 0.00 57.97 61.98 2fkw h PHE 41 Cb 1.73 0.08 -0.05 0.00 2.56 0.00 0.00 35.95 40.27 2fkw h PHE 41 CO 0.00 -0.02 0.45 -1.35 -2.02 0.00 0.00 178.31 175.38 2fkw h PRO 42 N -0.44 0.83 -0.05 6.41 0.11 -1.80 -2.06 132.00 135.00 2fkw h PRO 42 Ca -0.03 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.99 2fkw h PRO 42 Cb 0.34 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.25 2fkw h PRO 42 CO 0.04 0.55 -0.18 0.00 -0.21 0.00 0.00 178.00 178.20 2fkw h ALA 43 N 1.35 1.60 -0.19 -0.75 0.00 -1.03 0.28 119.26 120.53 2fkw h ALA 43 Ca 0.32 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.06 2fkw h ALA 43 Cb 0.11 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2fkw h ALA 43 CO -0.15 0.29 0.01 -0.92 0.00 0.00 0.00 179.25 178.48 2fkw h TYR 44 N 0.08 0.01 -0.04 0.00 3.20 0.06 -1.45 116.97 118.83 2fkw h TYR 44 Ca 0.01 0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.75 2fkw h TYR 44 Cb 0.37 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 2fkw h TYR 44 CO 0.00 -0.01 -0.65 -1.49 -1.64 0.00 0.00 178.16 174.37 2fkw h TRP 45 N 0.07 0.23 -0.66 -3.82 6.55 -1.02 -3.17 115.95 114.13 2fkw h TRP 45 Ca 0.09 -0.09 -0.04 0.00 0.95 0.00 0.00 58.89 59.79 2fkw h TRP 45 Cb 0.10 -0.04 -0.03 0.00 -0.86 0.00 0.00 29.16 28.33 2fkw h TRP 45 CO -0.16 0.77 0.24 0.37 -1.05 0.00 0.00 178.44 178.61 2fkw h GLN 46 N 0.12 0.97 0.00 0.49 5.75 -0.23 -3.48 115.11 118.74 2fkw h GLN 46 Ca -0.01 -0.17 0.00 0.00 -0.15 0.00 0.00 58.65 58.32 2fkw h GLN 46 Cb 1.17 -0.16 0.00 0.00 1.07 0.00 0.00 27.48 29.56 2fkw h GLN 46 CO 0.10 0.81 0.00 0.41 -2.65 0.00 0.00 178.83 177.50 2fkw n GLY 47 N -0.94 0.61 3.34 2.39 0.00 -0.57 -4.91 105.19 105.11 2fkw n GLY 47 Ca 0.06 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 2.84 3.54 -0.02 0.00 -1.26 -4.97 105.19 105.32 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 -0.93 4.29 0.00 1.61 0.11 -1.26 -4.95 120.40 119.27 2fkw s VAL 49 Ca 0.00 -1.60 0.00 0.00 -2.93 0.00 0.00 61.98 57.45 2fkw s VAL 49 Cb 0.00 -5.04 0.00 0.00 -1.53 0.00 0.00 36.38 29.81 2fkw s VAL 49 CO 0.00 -1.86 0.00 0.29 -3.33 0.00 0.00 175.10 170.20 2fkw n LYS 50 N 7.84 0.00 0.00 1.54 4.01 -1.26 -4.97 118.16 125.32 2fkw n LYS 50 Ca 0.38 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.18 2fkw n LYS 50 Cb 0.48 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.00 2fkw n LYS 50 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 2fkw n LYS 51 N 0.00 0.00 0.00 1.97 4.81 -1.26 -5.09 118.16 118.59 2fkw n LYS 51 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2fkw n LYS 51 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2fkw n LYS 51 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2fkw n ALA 52 N -3.00 0.00 -1.85 3.14 0.00 -1.26 -5.27 120.51 112.27 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 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2fkw n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50