#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kcr s THR 22 N 0.00 5.04 -0.28 2.62 2.01 -1.26 -5.00 115.64 118.78 3kcr s THR 22 Ca 0.00 0.31 0.15 0.00 0.31 0.00 0.00 61.69 62.46 3kcr s THR 22 Cb 0.00 -3.63 0.72 0.00 0.01 0.00 0.00 72.50 69.60 3kcr s THR 22 CO 0.00 0.04 1.63 0.49 -0.69 0.00 0.00 174.62 176.09 3kcr n PHE 23 N 0.14 1.66 -1.99 4.92 0.99 -1.26 -4.92 117.46 117.00 3kcr n PHE 23 Ca -0.02 -0.77 -0.42 0.00 -0.00 0.00 0.00 57.45 56.24 3kcr n PHE 23 Cb 0.52 -0.43 -0.03 0.00 -1.00 0.00 0.00 39.48 38.54 3kcr n PHE 23 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.76 175.64 3kcr s SER 24 N -1.18 6.65 0.05 4.37 0.01 -1.26 -4.93 113.70 117.40 3kcr s SER 24 Ca 0.50 2.50 -0.19 0.00 1.31 0.00 0.00 55.95 60.08 3kcr s SER 24 Cb 0.38 -2.58 -0.15 0.00 0.21 0.00 0.00 66.02 63.88 3kcr s SER 24 CO 0.14 -0.81 1.30 0.50 0.41 0.00 0.00 173.24 174.78 3kcr h LYS 25 N 7.31 0.48 -6.79 12.44 1.63 -2.07 -3.45 116.57 126.12 3kcr h LYS 25 Ca -0.42 -0.31 -0.52 0.00 -0.85 0.00 0.00 60.65 58.55 3kcr h LYS 25 Cb 1.20 0.04 0.05 0.00 -0.60 0.00 0.00 32.23 32.92 3kcr h LYS 25 CO 0.91 0.91 0.65 0.42 -3.45 0.00 0.00 179.45 178.90 3kcr s ILE 26 N -4.03 2.89 -0.14 2.00 1.01 -1.26 -5.04 121.20 116.64 3kcr s ILE 26 Ca -0.13 0.82 0.00 0.00 0.00 0.00 0.00 60.65 61.34 3kcr s ILE 26 Cb 0.06 -3.52 -0.01 0.00 0.01 0.00 0.00 42.46 39.00 3kcr s ILE 26 CO 0.79 0.16 -0.15 -0.13 0.00 0.00 0.00 174.94 175.61 3kcr s ARG 27 N -1.03 3.25 -0.10 2.79 1.81 -1.26 -5.10 118.95 119.30 3kcr s ARG 27 Ca 0.53 -0.74 -0.01 0.00 -1.72 0.00 0.00 55.73 53.79 3kcr s ARG 27 Cb -0.39 -2.60 0.03 0.00 -0.45 0.00 0.00 34.95 31.54 3kcr s ARG 27 CO 0.46 0.08 -0.06 0.08 -0.68 0.00 0.00 175.30 175.19 3kcr s VAL 28 N 0.66 0.87 0.33 3.52 1.01 -1.26 -5.12 120.40 120.40 3kcr s VAL 28 Ca -0.08 -0.20 -0.29 0.00 0.00 0.00 0.00 61.98 61.41 3kcr s VAL 28 Cb -0.16 -0.93 -0.11 0.00 0.00 0.00 0.00 36.38 35.19 3kcr s VAL 28 CO 0.02 0.34 1.49 -0.54 0.00 0.00 0.00 175.10 176.41 3kcr s LYS 29 N 1.77 4.16 0.54 2.72 1.02 -1.26 -4.93 119.74 123.76 3kcr s LYS 29 Ca 0.05 2.50 0.21 0.00 0.02 0.00 0.00 55.97 58.74 3kcr s LYS 29 Cb -0.13 -3.02 1.40 0.00 -0.52 0.00 0.00 37.83 35.57 3kcr s LYS 29 CO -0.08 -0.51 2.13 -1.00 -0.92 0.00 0.00 175.35 174.98 3kcr h PRO 30 N 3.90 0.00 -0.88 -1.68 0.13 -2.00 -1.95 132.00 129.52 3kcr h PRO 30 Ca -0.49 0.00 0.19 0.00 -0.87 0.00 0.00 66.00 64.83 3kcr h PRO 30 Cb 1.23 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.29 3kcr h PRO 30 CO 0.71 0.00 0.58 0.93 -0.23 0.00 0.00 178.00 179.99 3kcr h GLU 31 N 0.00 0.44 -0.04 0.86 3.07 -1.99 -0.28 114.58 116.64 3kcr h GLU 31 Ca 0.05 -0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 58.84 3kcr h GLU 31 Cb 0.22 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.03 3kcr h GLU 31 CO -0.00 0.29 -0.13 0.45 -1.40 0.00 0.00 179.01 178.22 3kcr h HIS 32 N 0.45 0.22 0.00 4.33 3.86 -1.73 -2.02 115.15 120.26 3kcr h HIS 32 Ca 0.45 -0.09 -0.09 0.00 -1.16 0.00 0.00 60.37 59.49 3kcr h HIS 32 Cb 1.06 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 29.48 3kcr h HIS 32 CO -0.00 0.75 -0.42 -0.39 0.86 0.00 0.00 177.93 178.73 3kcr h VAL 33 N -0.38 1.13 0.11 2.45 -1.51 -1.50 0.20 116.25 116.74 3kcr h VAL 33 Ca -0.00 -1.51 -0.01 0.00 -1.23 0.00 0.00 66.70 63.95 3kcr h VAL 33 Cb 0.75 1.86 0.00 0.00 -2.13 0.00 0.00 31.29 31.77 3kcr h VAL 33 CO 0.03 0.41 -0.05 0.40 -1.23 0.00 0.00 177.57 177.12 3kcr h ILE 34 N 0.00 0.94 -0.06 7.19 1.08 -1.11 -1.63 117.51 123.92 3kcr h ILE 34 Ca -0.00 -0.18 -0.12 0.00 -0.39 0.00 0.00 64.86 64.16 3kcr h ILE 34 Cb 0.82 1.06 -0.01 0.00 -3.07 0.00 0.00 36.82 35.61 3kcr h ILE 34 CO 0.05 0.04 -0.53 1.23 -0.69 0.00 0.00 178.15 178.26 3kcr h GLY 35 N -0.23 0.18 1.18 5.37 0.00 -1.06 -1.69 103.07 106.82 3kcr h GLY 35 Ca -0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.10 3kcr h GLY 35 CO 0.02 0.18 0.40 -2.08 0.00 0.00 0.00 176.54 175.06 3kcr h VAL 36 N 0.13 1.23 -0.34 4.60 2.07 -0.61 -1.01 116.25 122.32 3kcr h VAL 36 Ca 0.00 -0.61 -0.17 0.00 0.82 0.00 0.00 66.70 66.74 3kcr h VAL 36 Cb 0.98 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 3kcr h VAL 36 CO 0.08 0.27 -0.46 0.74 0.02 0.00 0.00 177.57 178.22 3kcr h THR 37 N 1.08 1.27 -0.69 2.57 2.02 -0.76 -2.24 112.91 116.16 3kcr h THR 37 Ca 0.27 -1.64 0.11 0.00 0.77 0.00 0.00 66.41 65.93 3kcr h THR 37 Cb 0.06 1.49 -0.04 0.00 -1.74 0.00 0.00 68.15 67.92 3kcr h THR 37 CO -0.04 0.54 0.46 0.58 0.37 0.00 0.00 175.52 177.43 3kcr h VAL 38 N 0.72 0.87 -0.14 3.16 2.07 -1.18 -1.86 116.25 119.89 3kcr h VAL 38 Ca 0.04 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 3kcr h VAL 38 Cb 1.06 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 3kcr h VAL 38 CO 0.11 0.09 0.08 0.00 0.02 0.00 0.00 177.57 177.86 3kcr h ALA 39 N 1.66 0.17 -0.72 1.67 0.00 -0.60 -1.59 119.26 119.86 3kcr h ALA 39 Ca 0.32 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 3kcr h ALA 39 Cb 0.63 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3kcr h ALA 39 CO -0.10 -0.31 0.32 0.74 0.00 0.00 0.00 179.25 179.90 3kcr h PHE 40 N 0.15 1.04 0.35 0.00 -1.00 -1.09 -0.73 116.94 115.65 3kcr h PHE 40 Ca 0.05 -0.05 -0.02 0.00 2.81 0.00 0.00 57.97 60.76 3kcr h PHE 40 Cb 0.03 -0.32 0.00 0.00 3.61 0.00 0.00 35.95 39.27 3kcr h PHE 40 CO -0.05 0.77 -0.17 0.28 -1.61 0.00 0.00 178.31 177.52 3kcr h VAL 41 N 1.02 0.66 -0.66 -0.55 2.07 -1.17 -1.73 116.25 115.90 3kcr h VAL 41 Ca 0.25 -0.08 -0.07 0.00 0.82 0.00 0.00 66.70 67.61 3kcr h VAL 41 Cb 0.14 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 3kcr h VAL 41 CO -0.03 0.02 0.14 0.40 0.02 0.00 0.00 177.57 178.12 3kcr h ILE 42 N -0.52 1.26 0.22 4.57 1.08 -1.16 -0.64 117.51 122.32 3kcr h ILE 42 Ca -0.05 -0.97 -0.01 0.00 -0.39 0.00 0.00 64.86 63.44 3kcr h ILE 42 Cb 0.39 0.60 0.00 0.00 -3.07 0.00 0.00 36.82 34.75 3kcr h ILE 42 CO 0.08 0.37 -0.10 0.40 -0.69 0.00 0.00 178.15 178.20 3kcr h ILE 43 N 1.00 0.84 0.00 -0.67 2.04 -1.11 -3.10 117.51 116.51 3kcr h ILE 43 Ca 0.21 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.77 3kcr h ILE 43 Cb 0.38 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 3kcr h ILE 43 CO 0.01 0.07 -0.82 -0.33 0.00 0.00 0.00 178.15 177.08 3kcr h GLU 44 N -0.44 0.00 -0.05 2.37 5.08 -1.30 -0.24 114.58 120.00 3kcr h GLU 44 Ca -0.03 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 3kcr h GLU 44 Cb 0.33 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 3kcr h GLU 44 CO 0.05 0.00 -0.03 0.00 -1.00 0.00 0.00 179.01 178.03 3kcr h ALA 45 N 2.03 1.87 0.00 3.43 0.00 -1.18 -2.76 119.26 122.65 3kcr h ALA 45 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3kcr h ALA 45 Cb 0.99 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3kcr h ALA 45 CO 0.00 0.10 -0.77 -0.89 0.00 0.00 0.00 179.25 177.69 3kcr n ILE 46 N -4.46 0.00 -0.19 0.00 5.41 -1.17 -2.91 119.36 116.04 3kcr n ILE 46 Ca -0.02 -0.25 -0.06 0.00 1.00 0.00 0.00 62.75 63.42 3kcr n ILE 46 Cb 0.14 0.68 0.10 0.00 -0.71 0.00 0.00 39.64 39.85 3kcr n ILE 46 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 3kcr h LEU 47 N 0.00 0.93 0.00 1.39 5.85 -1.09 -3.40 115.31 119.00 3kcr h LEU 47 Ca 0.00 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.51 3kcr h LEU 47 Cb 0.20 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.98 3kcr h LEU 47 CO 0.00 0.93 0.00 0.41 -0.34 0.00 0.00 178.44 179.44 3kcr n THR 48 N -4.23 0.00 -1.17 1.05 -1.04 -1.04 -4.92 114.28 102.93 3kcr n THR 48 Ca 0.04 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.71 3kcr n THR 48 Cb 0.28 -0.31 0.12 0.00 -1.82 0.00 0.00 70.33 68.59 3kcr n THR 48 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3kcr n TYR 49 N 0.00 1.32 -2.70 -1.42 0.53 -1.15 -3.78 117.16 109.96 3kcr n TYR 49 Ca 0.00 0.41 -0.05 0.00 -1.02 0.00 0.00 57.90 57.24 3kcr n TYR 49 Cb 0.00 -2.12 0.02 0.00 -1.03 0.00 0.00 39.34 36.20 3kcr n TYR 49 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3kcr n GLY 50 N 0.60 0.64 3.64 2.72 0.00 -1.26 -4.04 105.19 107.49 3kcr n GLY 50 Ca 0.14 -0.49 -0.45 0.00 0.00 0.00 0.00 46.02 45.22 3kcr n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kcr n ARG 51 N -1.41 2.27 0.00 1.61 5.12 -1.25 -4.98 116.66 118.02 3kcr n ARG 51 Ca -0.00 0.78 0.00 0.00 -1.93 0.00 0.00 57.85 56.70 3kcr n ARG 51 Cb 0.51 -2.89 0.00 0.00 -1.16 0.00 0.00 32.46 28.93 3kcr n ARG 51 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04