#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 2.62 0.00 -3.83 1.13 -1.26 -4.73 117.38 111.31 2fkw n GLN 3 Ca 0.00 -3.04 0.14 0.00 -1.94 0.00 0.00 57.00 52.16 2fkw n GLN 3 Cb 0.00 -2.19 0.74 0.00 0.11 0.00 0.00 30.24 28.90 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 -0.90 -1.05 0.71 1.08 0.00 -1.26 -1.73 105.19 102.04 2fkw n GLY 4 Ca 0.55 -0.15 0.11 0.00 0.00 0.00 0.00 46.02 46.54 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 -1.17 1.95 -0.21 1.61 5.02 -1.26 -4.43 118.16 119.67 2fkw n LYS 5 Ca 0.16 -1.41 0.12 0.00 -2.02 0.00 0.00 58.31 55.15 2fkw n LYS 5 Cb 0.16 -1.44 0.42 0.00 -0.02 0.00 0.00 35.03 34.15 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 2.94 0.87 -0.00 -0.18 6.09 -1.74 0.77 117.51 126.25 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 0.64 0.21 0.00 0.00 0.47 0.00 0.00 36.82 38.14 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 -4.51 0.00 0.65 2.19 7.02 -1.26 -0.63 117.44 120.90 2fkw n TRP 7 Ca 0.14 -0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.74 2fkw n TRP 7 Cb 0.42 0.00 0.20 0.00 -2.42 0.00 0.00 31.31 29.51 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 -0.57 0.30 0.00 -0.99 -2.24 0.26 -4.50 114.28 106.54 2fkw n THR 8 Ca 0.04 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 2fkw n THR 8 Cb 0.02 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 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 -2.01 0.00 -3.59 2.28 3.14 -0.67 -5.00 118.33 112.48 2fkw n VAL 9 Ca 0.04 0.00 -0.37 0.00 -2.96 0.00 0.00 64.34 61.05 2fkw n VAL 9 Cb 0.42 -0.66 -0.07 0.00 -1.06 0.00 0.00 33.84 32.48 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 -1.96 5.27 -0.41 1.55 1.01 0.20 -5.05 120.40 121.01 2fkw s VAL 10 Ca 0.00 0.56 -0.28 0.00 0.00 0.00 0.00 61.98 62.26 2fkw s VAL 10 Cb 0.00 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 32.79 2fkw s VAL 10 CO 0.00 0.48 1.07 0.21 0.00 0.00 0.00 175.10 176.86 2fkw s ASN 11 N -0.18 6.72 0.61 3.32 2.47 -1.26 -4.30 114.94 122.33 2fkw s ASN 11 Ca 0.18 0.64 0.33 0.00 0.42 0.00 0.00 52.86 54.43 2fkw s ASN 11 Cb -0.14 -2.53 1.88 0.00 -1.45 0.00 0.00 41.25 39.01 2fkw s ASN 11 CO 0.06 -1.07 2.19 1.55 -3.72 0.00 0.00 177.10 176.11 2fkw h PRO 12 N 8.75 0.00 0.00 0.43 0.13 -1.95 0.24 132.00 139.60 2fkw h PRO 12 Ca -0.22 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.87 2fkw h PRO 12 Cb 1.06 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 2fkw h PRO 12 CO 1.07 0.00 -0.18 0.00 -0.23 0.00 0.00 178.00 178.66 2fkw h ALA 13 N 1.84 1.05 0.03 -0.56 0.00 -2.00 -1.22 119.26 118.40 2fkw h ALA 13 Ca 0.04 -0.17 -0.38 0.00 0.00 0.00 0.00 54.91 54.40 2fkw h ALA 13 Cb 0.26 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 2fkw h ALA 13 CO -0.00 0.23 -2.17 -0.89 0.00 0.00 0.00 179.25 176.42 2fkw n ILE 14 N -3.38 1.58 -0.21 0.00 2.08 0.13 -4.55 119.36 115.00 2fkw n ILE 14 Ca -0.00 -0.44 -0.09 0.00 0.56 0.00 0.00 62.75 62.78 2fkw n ILE 14 Cb 0.39 -1.74 0.02 0.00 -0.75 0.00 0.00 39.64 37.57 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 0.40 1.12 0.57 7.39 0.00 -0.48 -1.26 103.07 110.82 2fkw h GLY 15 Ca -0.54 -0.80 -0.00 0.00 0.00 0.00 0.00 47.33 45.99 2fkw h GLY 15 CO -0.17 0.74 -0.00 -2.22 0.00 0.00 0.00 176.54 174.89 2fkw h ILE 16 N 0.93 1.33 -0.83 2.60 2.04 -1.47 0.72 117.51 122.84 2fkw h ILE 16 Ca 0.17 -1.00 0.07 0.00 1.00 0.00 0.00 64.86 65.10 2fkw h ILE 16 Cb 0.52 2.01 -0.05 0.00 -0.74 0.00 0.00 36.82 38.55 2fkw h ILE 16 CO 0.02 0.26 0.54 -0.65 0.00 0.00 0.00 178.15 178.32 2fkw h PRO 17 N -0.44 0.86 -0.14 2.37 0.11 -1.74 0.34 132.00 133.36 2fkw h PRO 17 Ca -0.00 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.06 2fkw h PRO 17 Cb 0.43 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.34 2fkw h PRO 17 CO 0.00 0.57 0.08 0.00 -0.21 0.00 0.00 178.00 178.45 2fkw h ALA 18 N 1.56 0.18 -0.02 -0.75 0.00 -1.11 -0.19 119.26 118.92 2fkw h ALA 18 Ca 0.36 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.25 2fkw h ALA 18 Cb 0.26 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2fkw h ALA 18 CO -0.13 -0.31 -0.06 1.25 0.00 0.00 0.00 179.25 180.00 2fkw h LEU 19 N 0.15 -0.18 -0.92 0.00 5.85 -0.17 -0.47 115.31 119.58 2fkw h LEU 19 Ca 0.05 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 2fkw h LEU 19 Cb 0.04 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 2fkw h LEU 19 CO -0.01 -0.09 0.15 -0.07 -0.34 0.00 0.00 178.44 178.08 2fkw h LEU 20 N -0.10 0.88 -0.28 2.25 3.38 -0.76 -1.19 115.31 119.49 2fkw h LEU 20 Ca 0.03 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 2fkw h LEU 20 Cb 0.14 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2fkw h LEU 20 CO -0.08 0.85 -0.06 1.23 0.09 0.00 0.00 178.44 180.47 2fkw h GLY 21 N 1.02 0.58 1.00 0.83 0.00 -0.88 -2.28 103.07 103.34 2fkw h GLY 21 Ca 0.20 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 2fkw h GLY 21 CO -0.00 0.44 0.37 1.76 0.00 0.00 0.00 176.54 179.11 2fkw h SER 22 N 0.30 0.76 -0.59 0.19 0.02 -0.73 -0.32 113.55 113.18 2fkw h SER 22 Ca 0.07 -0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 2fkw h SER 22 Cb 0.54 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.86 2fkw h SER 22 CO 0.03 0.60 0.24 0.58 -1.14 0.00 0.00 176.83 177.14 2fkw h VAL 23 N 0.85 1.23 -0.47 2.27 2.07 -1.17 -0.27 116.25 120.76 2fkw h VAL 23 Ca 0.22 -0.70 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 2fkw h VAL 23 Cb -0.01 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 2fkw h VAL 23 CO -0.04 0.27 0.19 0.74 0.02 0.00 0.00 177.57 178.75 2fkw h THR 24 N 0.81 1.21 -0.73 2.57 2.02 -1.12 -0.76 112.91 116.91 2fkw h THR 24 Ca 0.20 -0.63 0.02 0.00 0.77 0.00 0.00 66.41 66.76 2fkw h THR 24 Cb 0.20 0.74 -0.04 0.00 -1.74 0.00 0.00 68.15 67.31 2fkw h THR 24 CO -0.02 0.24 0.47 0.58 0.37 0.00 0.00 175.52 177.16 2fkw h VAL 25 N 0.62 1.14 -0.22 3.16 2.07 -0.75 0.41 116.25 122.69 2fkw h VAL 25 Ca 0.16 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 2fkw h VAL 25 Cb 0.19 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 2fkw h VAL 25 CO -0.01 0.17 0.12 0.40 0.02 0.00 0.00 177.57 178.27 2fkw h ILE 26 N 0.94 1.11 -0.26 4.57 2.04 -0.79 -0.49 117.51 124.62 2fkw h ILE 26 Ca 0.28 -0.29 0.06 0.00 1.00 0.00 0.00 64.86 65.92 2fkw h ILE 26 Cb -0.04 0.91 -0.07 0.00 -0.74 0.00 0.00 36.82 36.88 2fkw h ILE 26 CO -0.09 0.11 -0.20 0.00 0.00 0.00 0.00 178.15 177.97 2fkw h ALA 27 N 1.01 -0.04 -0.55 1.87 0.00 -0.45 -0.28 119.26 120.81 2fkw h ALA 27 Ca 0.08 0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.14 2fkw h ALA 27 Cb 0.06 0.44 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 2fkw h ALA 27 CO -0.01 -0.61 0.25 0.82 0.00 0.00 0.00 179.25 179.70 2fkw h ILE 28 N -0.19 0.89 -0.76 0.00 2.04 -0.70 -1.50 117.51 117.29 2fkw h ILE 28 Ca 0.14 -0.16 -0.04 0.00 1.00 0.00 0.00 64.86 65.80 2fkw h ILE 28 Cb 0.41 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 2fkw h ILE 28 CO -0.37 0.09 0.33 -0.07 0.00 0.00 0.00 178.15 178.12 2fkw h LEU 29 N 0.48 1.03 -0.42 1.44 3.38 -0.42 -0.67 115.31 120.12 2fkw h LEU 29 Ca 0.26 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 2fkw h LEU 29 Cb 0.23 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 2fkw h LEU 29 CO -0.21 0.90 0.02 0.58 0.09 0.00 0.00 178.44 179.82 2fkw h VAL 30 N 1.09 1.26 -0.08 1.22 2.07 -0.66 -0.45 116.25 120.70 2fkw h VAL 30 Ca 0.26 -0.98 0.02 0.00 0.82 0.00 0.00 66.70 66.82 2fkw h VAL 30 Cb 0.18 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 2fkw h VAL 30 CO -0.03 0.33 -0.07 0.45 0.02 0.00 0.00 177.57 178.28 2fkw h HIS 31 N 0.57 -0.16 -0.68 1.57 3.86 -0.93 -2.05 115.15 117.33 2fkw h HIS 31 Ca 0.12 0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.29 2fkw h HIS 31 Cb 0.45 0.08 -0.03 0.00 1.06 0.00 0.00 27.41 28.97 2fkw h HIS 31 CO 0.03 -0.10 0.22 -0.07 0.86 0.00 0.00 177.93 178.87 2fkw h LEU 32 N -0.08 0.95 -0.06 2.43 3.38 -1.01 0.50 115.31 121.43 2fkw h LEU 32 Ca 0.05 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 2fkw h LEU 32 Cb 0.16 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 2fkw h LEU 32 CO -0.13 0.88 0.03 0.00 0.09 0.00 0.00 178.44 179.32 2fkw h ALA 33 N 1.25 0.08 -0.66 1.53 0.00 -0.99 -0.64 119.26 119.83 2fkw h ALA 33 Ca 0.22 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 2fkw h ALA 33 Cb 0.26 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2fkw h ALA 33 CO -0.01 -0.35 0.26 0.82 0.00 0.00 0.00 179.25 179.97 2fkw h ILE 34 N -0.04 1.23 -0.87 0.00 2.04 -1.10 -1.82 117.51 116.96 2fkw h ILE 34 Ca 0.02 -0.73 0.08 0.00 1.00 0.00 0.00 64.86 65.23 2fkw h ILE 34 Cb 0.14 0.45 -0.07 0.00 -0.74 0.00 0.00 36.82 36.60 2fkw h ILE 34 CO -0.00 0.29 0.52 0.25 0.00 0.00 0.00 178.15 179.21 2fkw h LEU 35 N 0.96 0.79 0.00 1.44 5.85 -0.58 -2.16 115.31 121.60 2fkw h LEU 35 Ca 0.22 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.98 2fkw h LEU 35 Cb 0.19 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.10 2fkw h LEU 35 CO -0.02 0.47 -0.54 -1.20 -0.34 0.00 0.00 178.44 176.81 2fkw n SER 36 N -4.67 0.68 -0.04 1.25 7.64 -0.27 -4.08 113.62 114.12 2fkw n SER 36 Ca 0.14 0.15 0.02 0.00 1.01 0.00 0.00 58.87 60.18 2fkw n SER 36 Cb 0.24 0.05 0.03 0.00 -1.01 0.00 0.00 64.21 63.52 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 -2.06 0.02 -4.27 1.43 8.25 -0.74 -4.98 115.22 112.86 2fkw n HIS 37 Ca 0.04 -0.57 -0.15 0.00 -0.26 0.00 0.00 57.72 56.77 2fkw n HIS 37 Cb 0.43 -0.06 -0.10 0.00 1.12 0.00 0.00 29.99 31.37 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 -1.28 1.26 -0.15 1.59 -4.23 -0.84 -5.02 115.64 106.97 2fkw s THR 38 Ca 0.06 -2.09 0.21 0.00 -1.18 0.00 0.00 61.69 58.69 2fkw s THR 38 Cb 0.05 -1.93 -0.14 0.00 1.34 0.00 0.00 72.50 71.81 2fkw s THR 38 CO 0.01 -0.68 0.77 0.35 -0.54 0.00 0.00 174.62 174.54 2fkw n THR 39 N -0.25 0.64 0.12 3.99 -2.24 -1.26 -4.49 114.28 110.79 2fkw n THR 39 Ca -0.09 -0.59 0.01 0.00 -2.27 0.00 0.00 64.05 61.10 2fkw n THR 39 Cb 0.61 -0.35 -0.01 0.00 -2.10 0.00 0.00 70.33 68.48 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 -0.09 4.78 5.08 -1.94 -2.44 115.95 121.34 2fkw h TRP 40 Ca -0.07 0.00 -0.07 0.00 1.08 0.00 0.00 58.89 59.83 2fkw h TRP 40 Cb 1.22 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.38 2fkw h TRP 40 CO 0.00 0.60 -0.20 0.35 -1.28 0.00 0.00 178.44 177.91 2fkw h PHE 41 N 0.00 0.37 -0.37 0.12 3.04 -1.87 -1.82 116.94 116.41 2fkw h PHE 41 Ca -0.01 -0.14 -0.05 0.00 3.98 0.00 0.00 57.97 61.76 2fkw h PHE 41 Cb 1.47 -0.07 -0.02 0.00 2.56 0.00 0.00 35.95 39.89 2fkw h PHE 41 CO 0.00 0.81 0.03 -1.35 -2.02 0.00 0.00 178.31 175.78 2fkw h PRO 42 N -0.17 0.56 -0.06 6.41 0.11 -1.79 -2.65 132.00 134.41 2fkw h PRO 42 Ca 0.00 -0.11 -0.08 0.00 0.11 0.00 0.00 66.00 65.92 2fkw h PRO 42 Cb 0.80 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.81 2fkw h PRO 42 CO 0.04 0.56 -0.34 0.00 -0.21 0.00 0.00 178.00 178.06 2fkw h ALA 43 N 1.50 1.32 -0.28 -0.75 0.00 -1.37 0.16 119.26 119.84 2fkw h ALA 43 Ca 0.12 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.73 2fkw h ALA 43 Cb 0.30 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2fkw h ALA 43 CO 0.01 0.48 0.07 -0.92 0.00 0.00 0.00 179.25 178.89 2fkw h TYR 44 N 0.11 0.12 -0.27 0.00 3.20 -0.96 -1.79 116.97 117.38 2fkw h TYR 44 Ca 0.01 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.76 2fkw h TYR 44 Cb 0.65 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.90 2fkw h TYR 44 CO 0.01 0.04 -0.41 -1.49 -1.64 0.00 0.00 178.16 174.67 2fkw h TRP 45 N 0.18 0.77 -0.16 -3.82 6.55 -1.29 -3.21 115.95 114.97 2fkw h TRP 45 Ca 0.13 -0.23 -0.06 0.00 0.95 0.00 0.00 58.89 59.68 2fkw h TRP 45 Cb 0.12 -0.16 -0.01 0.00 -0.86 0.00 0.00 29.16 28.25 2fkw h TRP 45 CO -0.15 0.95 -0.16 0.37 -1.05 0.00 0.00 178.44 178.40 2fkw h GLN 46 N 0.53 0.26 0.00 0.49 5.75 -0.73 -3.48 115.11 117.93 2fkw h GLN 46 Ca 0.04 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 2fkw h GLN 46 Cb 0.93 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.45 2fkw h GLN 46 CO 0.08 0.43 0.00 0.41 -2.65 0.00 0.00 178.83 177.10 2fkw n GLY 47 N -0.77 1.01 3.54 2.39 0.00 -0.70 -4.90 105.19 105.75 2fkw n GLY 47 Ca -0.01 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 2.96 3.58 -0.02 0.00 -1.26 -4.96 105.19 105.48 2fkw n GLY 48 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2fkw n GLY 48 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2fkw s VAL 49 N -1.06 3.98 0.00 1.61 -7.23 -1.26 -4.93 120.40 111.50 2fkw s VAL 49 Ca 0.00 -1.52 0.00 0.00 -1.81 0.00 0.00 61.98 58.65 2fkw s VAL 49 Cb 0.00 -5.04 0.00 0.00 0.56 0.00 0.00 36.38 31.90 2fkw s VAL 49 CO 0.00 -1.82 0.00 0.29 -0.31 0.00 0.00 175.10 173.26 2fkw n LYS 50 N 8.49 0.00 0.00 4.82 5.02 -1.26 -5.05 118.16 130.17 2fkw n LYS 50 Ca 0.45 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.74 2fkw n LYS 50 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.48 2fkw n LYS 50 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2fkw n LYS 51 N 0.00 0.00 0.00 1.97 2.85 -1.26 -5.06 118.16 116.66 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 -3.00 0.00 1.81 0.58 0.00 -1.26 -5.29 120.51 113.35 2fkw n ALA 52 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 2fkw n ALA 52 Cb 0.00 0.00 0.79 0.00 0.00 0.00 0.00 19.45 20.24 2fkw n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50