#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 3.61 0.08 -3.83 1.13 -1.26 -4.69 117.38 112.43 2fkw n GLN 3 Ca 0.00 -3.09 0.09 0.00 -1.94 0.00 0.00 57.00 52.06 2fkw n GLN 3 Cb 0.00 -2.21 0.41 0.00 0.11 0.00 0.00 30.24 28.55 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 -1.10 0.71 1.08 0.00 -1.26 -1.17 105.19 103.22 2fkw n GLY 4 Ca 0.42 0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.60 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 -1.95 1.94 0.19 1.61 5.02 -1.26 -4.25 118.16 119.46 2fkw n LYS 5 Ca 0.02 -1.41 0.12 0.00 -2.02 0.00 0.00 58.31 55.01 2fkw n LYS 5 Cb 0.18 -1.44 0.66 0.00 -0.02 0.00 0.00 35.03 34.41 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 2.93 0.91 -0.15 -0.18 6.09 -1.53 -1.31 117.51 124.27 2fkw h ILE 6 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 2fkw h ILE 6 Cb 0.64 0.92 0.00 0.00 0.47 0.00 0.00 36.82 38.85 2fkw h ILE 6 CO 0.00 0.00 0.00 0.79 -3.07 0.00 0.00 178.15 175.87 2fkw n TRP 7 N -4.47 0.19 0.61 2.19 7.02 -1.26 -0.91 117.44 120.82 2fkw n TRP 7 Ca 0.01 -0.10 0.12 0.00 -1.02 0.00 0.00 57.50 56.51 2fkw n TRP 7 Cb 0.24 0.00 0.15 0.00 -2.42 0.00 0.00 31.31 29.28 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 -0.06 0.28 -0.01 -0.99 -2.24 -0.49 -4.45 114.28 106.32 2fkw n THR 8 Ca 0.09 -0.24 -0.01 0.00 -2.27 0.00 0.00 64.05 61.62 2fkw n THR 8 Cb 0.17 -0.03 -0.01 0.00 -2.10 0.00 0.00 70.33 68.36 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 -2.02 0.12 -3.79 2.28 0.24 -0.82 -4.99 118.33 109.36 2fkw n VAL 9 Ca 0.03 -0.07 -0.36 0.00 -2.04 0.00 0.00 64.34 61.90 2fkw n VAL 9 Cb 0.43 -0.88 -0.07 0.00 -1.47 0.00 0.00 33.84 31.85 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 -2.04 5.43 -0.48 3.34 1.01 -0.08 -5.06 120.40 122.51 2fkw s VAL 10 Ca -0.01 0.19 -0.29 0.00 0.00 0.00 0.00 61.98 61.87 2fkw s VAL 10 Cb 0.01 -3.44 0.02 0.00 0.00 0.00 0.00 36.38 32.97 2fkw s VAL 10 CO 0.07 0.50 1.24 0.21 0.00 0.00 0.00 175.10 177.12 2fkw s ASN 11 N -0.10 6.49 0.60 3.32 2.47 -1.26 -4.29 114.94 122.17 2fkw s ASN 11 Ca 0.10 0.50 0.40 0.00 0.42 0.00 0.00 52.86 54.28 2fkw s ASN 11 Cb -0.11 -2.55 2.02 0.00 -1.45 0.00 0.00 41.25 39.16 2fkw s ASN 11 CO 0.00 -1.37 2.20 1.55 -3.72 0.00 0.00 177.10 175.76 2fkw h PRO 12 N 9.80 0.00 0.00 0.43 0.13 -1.95 0.19 132.00 140.60 2fkw h PRO 12 Ca -0.25 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.85 2fkw h PRO 12 Cb 1.07 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 2fkw h PRO 12 CO 1.13 0.00 -0.14 0.00 -0.23 0.00 0.00 178.00 178.76 2fkw h ALA 13 N 2.01 1.66 0.00 -0.56 0.00 -2.00 -1.46 119.26 118.92 2fkw h ALA 13 Ca 0.00 -0.13 -0.39 0.00 0.00 0.00 0.00 54.91 54.39 2fkw h ALA 13 Cb 0.14 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.84 2fkw h ALA 13 CO 0.00 0.18 -2.45 -0.89 0.00 0.00 0.00 179.25 176.09 2fkw n ILE 14 N -4.22 1.49 0.04 0.00 5.41 0.00 -4.62 119.36 117.47 2fkw n ILE 14 Ca -0.02 -0.60 -0.13 0.00 1.00 0.00 0.00 62.75 62.99 2fkw n ILE 14 Cb 0.22 -1.33 -0.03 0.00 -0.71 0.00 0.00 39.64 37.79 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 2.18 0.59 0.77 7.39 0.00 -0.58 -1.77 103.07 111.64 2fkw h GLY 15 Ca -0.57 -0.89 -0.06 0.00 0.00 0.00 0.00 47.33 45.81 2fkw h GLY 15 CO -0.07 0.79 -0.14 -2.22 0.00 0.00 0.00 176.54 174.90 2fkw h ILE 16 N 0.34 1.33 -0.97 2.60 2.04 -1.51 -0.80 117.51 120.56 2fkw h ILE 16 Ca -0.06 -1.27 0.03 0.00 1.00 0.00 0.00 64.86 64.56 2fkw h ILE 16 Cb 1.43 1.81 -0.05 0.00 -0.74 0.00 0.00 36.82 39.26 2fkw h ILE 16 CO 0.15 0.38 0.63 -0.65 0.00 0.00 0.00 178.15 178.66 2fkw h PRO 17 N 0.03 1.21 -0.57 2.37 0.11 -1.74 -0.00 132.00 133.40 2fkw h PRO 17 Ca 0.03 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 66.02 2fkw h PRO 17 Cb 0.66 -0.27 -0.03 0.00 0.11 0.00 0.00 31.00 31.47 2fkw h PRO 17 CO 0.04 0.80 0.19 0.00 -0.21 0.00 0.00 178.00 178.82 2fkw h ALA 18 N 1.38 1.26 0.22 -0.75 0.00 -1.16 0.68 119.26 120.89 2fkw h ALA 18 Ca 0.38 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2fkw h ALA 18 Cb -0.05 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.51 2fkw h ALA 18 CO -0.11 0.53 -0.11 1.25 0.00 0.00 0.00 179.25 180.82 2fkw h LEU 19 N 0.83 -0.25 -0.73 0.00 5.85 -0.55 -0.22 115.31 120.24 2fkw h LEU 19 Ca 0.19 -0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.70 2fkw h LEU 19 Cb 0.23 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 2fkw h LEU 19 CO -0.01 0.12 0.47 -0.07 -0.34 0.00 0.00 178.44 178.61 2fkw h LEU 20 N -0.66 0.80 -0.38 2.25 3.38 -0.77 -0.91 115.31 119.02 2fkw h LEU 20 Ca -0.03 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2fkw h LEU 20 Cb 0.47 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2fkw h LEU 20 CO 0.05 0.57 0.16 1.23 0.09 0.00 0.00 178.44 180.54 2fkw h GLY 21 N 0.95 0.61 1.00 0.83 0.00 -0.87 -1.99 103.07 103.60 2fkw h GLY 21 Ca 0.28 -0.33 -0.06 0.00 0.00 0.00 0.00 47.33 47.23 2fkw h GLY 21 CO -0.08 0.31 0.12 1.76 0.00 0.00 0.00 176.54 178.65 2fkw h SER 22 N 0.48 0.84 -0.67 0.19 0.02 -0.57 0.72 113.55 114.56 2fkw h SER 22 Ca 0.13 -0.24 -0.02 0.00 -0.84 0.00 0.00 61.79 60.82 2fkw h SER 22 Cb 0.17 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.46 2fkw h SER 22 CO -0.01 0.86 0.36 0.58 -1.14 0.00 0.00 176.83 177.47 2fkw h VAL 23 N 0.77 1.21 -0.57 2.27 2.07 -1.11 -0.98 116.25 119.91 2fkw h VAL 23 Ca 0.17 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 2fkw h VAL 23 Cb 0.36 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 2fkw h VAL 23 CO 0.00 0.24 0.33 0.74 0.02 0.00 0.00 177.57 178.90 2fkw h THR 24 N 0.92 1.18 -0.61 2.57 2.02 -1.01 -1.54 112.91 116.44 2fkw h THR 24 Ca 0.23 -0.42 0.01 0.00 0.77 0.00 0.00 66.41 67.00 2fkw h THR 24 Cb 0.06 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 66.86 2fkw h THR 24 CO -0.04 0.19 0.40 0.58 0.37 0.00 0.00 175.52 177.02 2fkw h VAL 25 N 0.77 1.15 0.05 3.16 2.07 -0.58 -0.93 116.25 121.94 2fkw h VAL 25 Ca 0.20 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 2fkw h VAL 25 Cb 0.01 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.05 2fkw h VAL 25 CO -0.04 0.15 -0.02 0.40 0.02 0.00 0.00 177.57 178.08 2fkw h ILE 26 N 0.81 0.97 -0.74 4.57 2.04 -0.97 0.52 117.51 124.71 2fkw h ILE 26 Ca 0.22 -0.07 0.15 0.00 1.00 0.00 0.00 64.86 66.16 2fkw h ILE 26 Cb -0.09 1.02 -0.10 0.00 -0.74 0.00 0.00 36.82 36.92 2fkw h ILE 26 CO -0.05 0.02 0.26 0.00 0.00 0.00 0.00 178.15 178.37 2fkw h ALA 27 N 0.85 1.02 -0.44 1.87 0.00 -1.01 0.78 119.26 122.33 2fkw h ALA 27 Ca -0.01 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 2fkw h ALA 27 Cb 0.08 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2fkw h ALA 27 CO 0.01 -0.26 0.13 0.82 0.00 0.00 0.00 179.25 179.95 2fkw h ILE 28 N 0.38 1.23 -0.68 0.00 2.04 -0.65 -1.05 117.51 118.76 2fkw h ILE 28 Ca 0.41 -0.76 -0.02 0.00 1.00 0.00 0.00 64.86 65.50 2fkw h ILE 28 Cb 0.66 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 2fkw h ILE 28 CO -0.44 0.27 0.36 -0.07 0.00 0.00 0.00 178.15 178.27 2fkw h LEU 29 N 0.58 0.87 -0.18 1.44 3.38 0.44 -0.52 115.31 121.32 2fkw h LEU 29 Ca 0.14 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2fkw h LEU 29 Cb 0.28 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2fkw h LEU 29 CO -0.00 0.74 0.03 0.58 0.09 0.00 0.00 178.44 179.88 2fkw h VAL 30 N 0.94 1.22 -0.62 1.22 2.07 -0.72 0.64 116.25 121.00 2fkw h VAL 30 Ca 0.24 -0.70 0.08 0.00 0.82 0.00 0.00 66.70 67.13 2fkw h VAL 30 Cb 0.07 1.34 -0.06 0.00 -1.52 0.00 0.00 31.29 31.12 2fkw h VAL 30 CO -0.03 0.21 0.29 0.45 0.02 0.00 0.00 177.57 178.51 2fkw h HIS 31 N 0.09 0.52 -0.50 1.57 3.86 -0.96 -1.38 115.15 118.35 2fkw h HIS 31 Ca 0.05 0.03 -0.11 0.00 -1.16 0.00 0.00 60.37 59.19 2fkw h HIS 31 Cb 0.29 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.61 2fkw h HIS 31 CO 0.02 0.20 -0.11 -0.07 0.86 0.00 0.00 177.93 178.82 2fkw h LEU 32 N 0.52 0.92 0.30 2.43 3.38 -0.82 -0.07 115.31 121.97 2fkw h LEU 32 Ca 0.30 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2fkw h LEU 32 Cb 0.29 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2fkw h LEU 32 CO -0.24 1.04 -0.15 0.00 0.09 0.00 0.00 178.44 179.18 2fkw h ALA 33 N 1.04 -0.41 -0.85 1.53 0.00 -0.35 -0.84 119.26 119.38 2fkw h ALA 33 Ca 0.13 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2fkw h ALA 33 Cb 0.64 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 2fkw h ALA 33 CO 0.04 -0.69 0.52 0.82 0.00 0.00 0.00 179.25 179.94 2fkw h ILE 34 N -0.49 1.23 -0.97 0.00 2.04 -1.19 -0.99 117.51 117.15 2fkw h ILE 34 Ca -0.04 -0.49 0.07 0.00 1.00 0.00 0.00 64.86 65.40 2fkw h ILE 34 Cb 0.37 0.03 -0.07 0.00 -0.74 0.00 0.00 36.82 36.41 2fkw h ILE 34 CO 0.07 0.24 0.63 0.25 0.00 0.00 0.00 178.15 179.34 2fkw h LEU 35 N 1.16 0.98 0.00 1.44 5.85 -0.70 -1.74 115.31 122.30 2fkw h LEU 35 Ca 0.30 0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.04 2fkw h LEU 35 Cb -0.06 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.77 2fkw h LEU 35 CO -0.06 0.62 -0.38 -1.20 -0.34 0.00 0.00 178.44 177.08 2fkw n SER 36 N -4.51 0.52 -0.09 1.25 7.64 -0.35 -4.12 113.62 113.96 2fkw n SER 36 Ca 0.15 0.14 0.04 0.00 1.01 0.00 0.00 58.87 60.21 2fkw n SER 36 Cb 0.21 -0.07 0.05 0.00 -1.01 0.00 0.00 64.21 63.39 2fkw n SER 36 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2fkw n HIS 37 N -1.83 0.00 -4.34 1.43 8.25 -0.67 -5.00 115.22 113.06 2fkw n HIS 37 Ca 0.05 -0.55 -0.18 0.00 -0.26 0.00 0.00 57.72 56.78 2fkw n HIS 37 Cb 0.39 -0.08 -0.10 0.00 1.12 0.00 0.00 29.99 31.32 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 -1.43 1.49 -0.13 1.59 -4.23 -0.68 -5.00 115.64 107.25 2fkw s THR 38 Ca 0.12 -2.14 0.20 0.00 -1.18 0.00 0.00 61.69 58.69 2fkw s THR 38 Cb 0.10 -2.12 -0.18 0.00 1.34 0.00 0.00 72.50 71.65 2fkw s THR 38 CO 0.01 -0.54 0.66 0.35 -0.54 0.00 0.00 174.62 174.57 2fkw n THR 39 N -0.38 0.71 0.09 3.99 -2.24 -1.26 -4.59 114.28 110.60 2fkw n THR 39 Ca -0.08 -0.62 -0.06 0.00 -2.27 0.00 0.00 64.05 61.03 2fkw n THR 39 Cb 0.61 -0.37 0.02 0.00 -2.10 0.00 0.00 70.33 68.49 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 0.11 0.36 4.78 5.08 -1.95 -2.25 115.95 122.09 2fkw h TRP 40 Ca -0.13 -0.06 -0.02 0.00 1.08 0.00 0.00 58.89 59.76 2fkw h TRP 40 Cb 1.35 -0.01 0.00 0.00 -3.00 0.00 0.00 29.16 27.50 2fkw h TRP 40 CO 0.00 0.86 -0.17 0.35 -1.28 0.00 0.00 178.44 178.20 2fkw h PHE 41 N 0.04 -0.45 -0.75 0.12 3.04 -1.87 -1.03 116.94 116.04 2fkw h PHE 41 Ca -0.02 -0.01 0.14 0.00 3.98 0.00 0.00 57.97 62.06 2fkw h PHE 41 Cb 1.44 0.15 -0.09 0.00 2.56 0.00 0.00 35.95 40.01 2fkw h PHE 41 CO 0.01 -0.12 0.30 -1.35 -2.02 0.00 0.00 178.31 175.13 2fkw h PRO 42 N -0.82 0.43 -0.31 6.41 0.11 -1.81 -1.63 132.00 134.38 2fkw h PRO 42 Ca -0.05 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.02 2fkw h PRO 42 Cb 0.53 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.52 2fkw h PRO 42 CO 0.08 0.29 0.13 0.00 -0.21 0.00 0.00 178.00 178.28 2fkw h ALA 43 N 1.55 1.65 -0.45 -0.75 0.00 -1.28 0.34 119.26 120.31 2fkw h ALA 43 Ca 0.41 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 2fkw h ALA 43 Cb 0.63 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2fkw h ALA 43 CO -0.40 0.28 0.26 -0.92 0.00 0.00 0.00 179.25 178.47 2fkw h TYR 44 N 0.43 0.62 -0.42 0.00 3.20 -0.19 -2.05 116.97 118.55 2fkw h TYR 44 Ca 0.11 -0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.85 2fkw h TYR 44 Cb 0.09 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 2fkw h TYR 44 CO 0.00 0.46 -0.19 -1.49 -1.64 0.00 0.00 178.16 175.30 2fkw h TRP 45 N 0.60 1.00 -0.82 -3.82 6.55 -0.98 -3.22 115.95 115.25 2fkw h TRP 45 Ca 0.16 -0.24 0.05 0.00 0.95 0.00 0.00 58.89 59.81 2fkw h TRP 45 Cb 0.04 -0.23 -0.05 0.00 -0.86 0.00 0.00 29.16 28.05 2fkw h TRP 45 CO -0.02 1.02 0.54 0.37 -1.05 0.00 0.00 178.44 179.29 2fkw h GLN 46 N 0.69 0.93 0.00 0.49 5.75 -0.17 -3.48 115.11 119.32 2fkw h GLN 46 Ca 0.10 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 2fkw h GLN 46 Cb 0.75 -0.21 0.00 0.00 1.07 0.00 0.00 27.48 29.09 2fkw h GLN 46 CO 0.06 0.61 0.00 0.41 -2.65 0.00 0.00 178.83 177.26 2fkw n GLY 47 N -1.42 0.66 2.90 2.39 0.00 -0.79 -4.93 105.19 104.01 2fkw n GLY 47 Ca 0.12 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 2.76 3.52 -0.02 0.00 -1.26 -4.96 105.19 105.23 2fkw n GLY 48 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.00 4.11 0.00 1.61 0.11 -1.26 -4.90 120.40 119.07 2fkw s VAL 49 Ca 0.00 -0.72 0.00 0.00 -2.93 0.00 0.00 61.98 58.33 2fkw s VAL 49 Cb 0.00 -4.94 0.00 0.00 -1.53 0.00 0.00 36.38 29.91 2fkw s VAL 49 CO 0.00 -1.79 0.97 2.29 -3.33 0.00 0.00 175.10 173.25 2fkw n LYS 50 N 8.33 0.00 0.08 1.54 0.00 -1.26 -4.97 118.16 121.88 2fkw n LYS 50 Ca 0.23 0.50 0.00 0.00 -0.00 0.00 0.00 58.31 59.03 2fkw n LYS 50 Cb 0.50 -1.48 0.00 0.00 -0.00 0.00 0.00 35.03 34.04 2fkw n LYS 50 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2fkw n LYS 51 N -1.99 0.00 -2.29 -1.58 4.76 -1.26 -4.97 118.16 110.83 2fkw n LYS 51 Ca 0.00 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.03 2fkw n LYS 51 Cb 0.00 -0.04 -0.03 0.00 -1.84 0.00 0.00 35.03 33.11 2fkw n LYS 51 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2fkw s ALA 52 N -2.00 3.47 0.00 7.82 0.00 -1.26 -5.31 121.76 124.47 2fkw s ALA 52 Ca 0.00 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.02 2fkw s ALA 52 Cb 0.00 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.70 2fkw s ALA 52 CO 0.00 -0.43 0.13 0.00 0.00 0.00 0.00 175.76 175.47