#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nkz n GLN 3 N 0.00 3.82 0.12 -3.83 1.13 -1.26 -4.74 117.38 112.62 1nkz n GLN 3 Ca 0.00 -2.96 0.08 0.00 -1.94 0.00 0.00 57.00 52.18 1nkz n GLN 3 Cb 0.00 -2.01 0.43 0.00 0.11 0.00 0.00 30.24 28.77 1nkz n GLN 3 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1nkz n GLY 4 N 0.10 -0.78 0.31 1.08 0.00 -1.26 -1.43 105.19 103.22 1nkz n GLY 4 Ca 0.24 0.14 0.07 0.00 0.00 0.00 0.00 46.02 46.47 1nkz n GLY 4 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nkz n LYS 5 N -2.05 1.40 -0.10 1.61 5.02 -1.26 -4.44 118.16 118.34 1nkz n LYS 5 Ca -0.01 -0.61 0.06 0.00 -2.02 0.00 0.00 58.31 55.72 1nkz n LYS 5 Cb 0.03 -1.26 0.39 0.00 -0.02 0.00 0.00 35.03 34.18 1nkz n LYS 5 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 1nkz h ILE 6 N 1.12 1.05 -0.01 -0.18 6.09 -1.64 -1.60 117.51 122.34 1nkz h ILE 6 Ca 0.00 -0.22 0.00 0.00 -1.37 0.00 0.00 64.86 63.27 1nkz h ILE 6 Cb 0.25 0.35 0.00 0.00 0.47 0.00 0.00 36.82 37.89 1nkz h ILE 6 CO 0.00 0.12 0.00 0.79 -3.07 0.00 0.00 178.15 175.99 1nkz n TRP 7 N -4.47 0.01 0.47 2.19 7.02 -1.26 -0.84 117.44 120.55 1nkz n TRP 7 Ca 0.07 -0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.68 1nkz n TRP 7 Cb 0.16 0.00 0.44 0.00 -2.42 0.00 0.00 31.31 29.50 1nkz n TRP 7 CO 0.00 0.00 0.00 1.79 -2.02 0.00 0.00 177.69 177.46 1nkz h THR 8 N 0.57 0.00 0.00 -0.99 1.35 -1.61 -3.40 112.91 108.83 1nkz h THR 8 Ca 0.00 -0.44 -0.03 0.00 -0.55 0.00 0.00 66.41 65.39 1nkz h THR 8 Cb 0.12 1.34 -0.01 0.00 -1.73 0.00 0.00 68.15 67.87 1nkz h THR 8 CO 0.00 0.00 -1.13 1.33 -0.25 0.00 0.00 175.52 175.47 1nkz n VAL 9 N -2.42 0.13 -3.50 6.82 0.24 -0.46 -4.99 118.33 114.15 1nkz n VAL 9 Ca 0.04 -0.05 -0.37 0.00 -2.04 0.00 0.00 64.34 61.92 1nkz n VAL 9 Cb 0.35 -0.63 -0.08 0.00 -1.47 0.00 0.00 33.84 32.02 1nkz n VAL 9 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1nkz s VAL 10 N -2.04 5.27 -0.13 3.34 1.01 -0.02 -5.05 120.40 122.77 1nkz s VAL 10 Ca -0.03 0.53 -0.29 0.00 0.00 0.00 0.00 61.98 62.18 1nkz s VAL 10 Cb 0.01 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.70 1nkz s VAL 10 CO 0.05 0.32 1.78 0.21 0.00 0.00 0.00 175.10 177.46 1nkz s ASN 11 N 0.85 6.32 0.57 3.32 3.84 -1.26 -4.35 114.94 124.23 1nkz s ASN 11 Ca 0.15 2.00 0.33 0.00 0.21 0.00 0.00 52.86 55.56 1nkz s ASN 11 Cb -0.14 -2.53 1.68 0.00 -0.55 0.00 0.00 41.25 39.72 1nkz s ASN 11 CO 0.06 -1.25 2.13 1.55 -2.79 0.00 0.00 177.10 176.80 1nkz h PRO 12 N 11.07 0.00 -0.10 0.43 0.13 -1.96 0.62 132.00 142.19 1nkz h PRO 12 Ca -0.39 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.77 1nkz h PRO 12 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 1nkz h PRO 12 CO 0.97 0.06 0.08 0.00 -0.23 0.00 0.00 178.00 178.88 1nkz h ALA 13 N 1.94 2.06 0.01 -0.56 0.00 -2.00 -1.55 119.26 119.16 1nkz h ALA 13 Ca -0.00 -0.00 -0.40 0.00 0.00 0.00 0.00 54.91 54.50 1nkz h ALA 13 Cb 0.29 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 1nkz h ALA 13 CO 0.01 -0.13 -2.37 -0.89 0.00 0.00 0.00 179.25 175.87 1nkz n ILE 14 N -4.45 1.54 -0.23 0.00 2.08 -0.66 -4.60 119.36 113.04 1nkz n ILE 14 Ca -0.01 -0.47 -0.08 0.00 0.56 0.00 0.00 62.75 62.76 1nkz n ILE 14 Cb 0.19 -1.67 0.03 0.00 -0.75 0.00 0.00 39.64 37.45 1nkz n ILE 14 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1nkz h GLY 15 N 0.59 1.09 0.72 7.39 0.00 -0.82 -1.82 103.07 110.22 1nkz h GLY 15 Ca -0.59 -0.67 -0.02 0.00 0.00 0.00 0.00 47.33 46.05 1nkz h GLY 15 CO -0.20 0.63 -0.01 -2.22 0.00 0.00 0.00 176.54 174.73 1nkz h ILE 16 N 0.94 1.28 -0.96 2.60 2.04 -1.53 -1.11 117.51 120.76 1nkz h ILE 16 Ca 0.20 -0.89 0.05 0.00 1.00 0.00 0.00 64.86 65.22 1nkz h ILE 16 Cb 0.34 1.70 -0.06 0.00 -0.74 0.00 0.00 36.82 38.06 1nkz h ILE 16 CO -0.00 0.25 0.62 -0.65 0.00 0.00 0.00 178.15 178.37 1nkz h PRO 17 N -0.15 1.13 -0.82 2.37 0.11 -1.76 -1.42 132.00 131.46 1nkz h PRO 17 Ca 0.02 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.06 1nkz h PRO 17 Cb 0.40 -0.25 -0.04 0.00 0.11 0.00 0.00 31.00 31.21 1nkz h PRO 17 CO 0.01 0.75 0.50 0.00 -0.21 0.00 0.00 178.00 179.04 1nkz h ALA 18 N 1.42 1.04 0.10 -0.75 0.00 -1.22 0.04 119.26 119.89 1nkz h ALA 18 Ca 0.40 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 1nkz h ALA 18 Cb 0.10 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 1nkz h ALA 18 CO -0.15 0.49 -0.07 1.25 0.00 0.00 0.00 179.25 180.78 1nkz h LEU 19 N 1.12 -0.17 -0.37 0.00 5.85 -0.81 -0.28 115.31 120.65 1nkz h LEU 19 Ca 0.29 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 59.00 1nkz h LEU 19 Cb -0.06 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1nkz h LEU 19 CO -0.06 -0.11 0.12 -0.07 -0.34 0.00 0.00 178.44 177.99 1nkz h LEU 20 N -0.17 0.54 -0.63 2.25 3.38 -1.10 -0.92 115.31 118.66 1nkz h LEU 20 Ca -0.01 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.68 1nkz h LEU 20 Cb 0.14 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1nkz h LEU 20 CO 0.00 0.59 0.07 1.23 0.09 0.00 0.00 178.44 180.42 1nkz h GLY 21 N 0.45 1.15 0.96 0.83 0.00 -0.98 -2.51 103.07 102.97 1nkz h GLY 21 Ca 0.12 -0.80 -0.04 0.00 0.00 0.00 0.00 47.33 46.62 1nkz h GLY 21 CO -0.01 0.74 0.14 1.76 0.00 0.00 0.00 176.54 179.17 1nkz h SER 22 N 0.98 0.67 -0.88 0.19 0.02 -0.73 -0.86 113.55 112.94 1nkz h SER 22 Ca 0.19 -0.21 0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1nkz h SER 22 Cb 0.48 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.80 1nkz h SER 22 CO 0.02 0.70 0.58 0.58 -1.14 0.00 0.00 176.83 177.57 1nkz h VAL 23 N 0.60 1.22 -0.49 2.27 2.07 -1.14 -1.18 116.25 119.60 1nkz h VAL 23 Ca 0.15 -0.41 -0.13 0.00 0.82 0.00 0.00 66.70 67.13 1nkz h VAL 23 Cb 0.27 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 29.96 1nkz h VAL 23 CO -0.00 0.22 -0.20 0.74 0.02 0.00 0.00 177.57 178.34 1nkz h THR 24 N 1.18 1.27 -0.64 2.57 2.02 -1.23 -1.76 112.91 116.33 1nkz h THR 24 Ca 0.33 -1.36 -0.03 0.00 0.77 0.00 0.00 66.41 66.11 1nkz h THR 24 Cb -0.12 1.10 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 1nkz h THR 24 CO -0.08 0.47 0.29 0.58 0.37 0.00 0.00 175.52 177.16 1nkz h VAL 25 N 0.86 1.23 -0.55 3.16 2.07 -0.87 -1.35 116.25 120.80 1nkz h VAL 25 Ca 0.11 -0.67 0.02 0.00 0.82 0.00 0.00 66.70 66.99 1nkz h VAL 25 Cb 0.78 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 1nkz h VAL 25 CO 0.06 0.27 0.35 0.40 0.02 0.00 0.00 177.57 178.67 1nkz h ILE 26 N 0.89 1.09 -0.84 4.57 2.04 -0.97 -0.87 117.51 123.42 1nkz h ILE 26 Ca 0.22 -0.24 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 1nkz h ILE 26 Cb 0.15 0.34 -0.04 0.00 -0.74 0.00 0.00 36.82 36.53 1nkz h ILE 26 CO -0.02 0.13 0.52 0.00 0.00 0.00 0.00 178.15 178.78 1nkz h ALA 27 N 1.23 1.08 -0.24 1.87 0.00 -0.96 -0.13 119.26 122.09 1nkz h ALA 27 Ca 0.21 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1nkz h ALA 27 Cb -0.02 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1nkz h ALA 27 CO -0.08 0.52 0.11 0.82 0.00 0.00 0.00 179.25 180.63 1nkz h ILE 28 N 1.16 1.15 -0.76 0.00 2.04 -0.83 -2.04 117.51 118.23 1nkz h ILE 28 Ca 0.30 -0.43 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 1nkz h ILE 28 Cb -0.07 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 1nkz h ILE 28 CO -0.06 0.15 0.47 -0.07 0.00 0.00 0.00 178.15 178.64 1nkz h LEU 29 N 0.26 0.90 -0.44 1.44 3.38 -0.68 -0.85 115.31 119.32 1nkz h LEU 29 Ca 0.08 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1nkz h LEU 29 Cb 0.13 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1nkz h LEU 29 CO -0.01 0.69 0.14 0.58 0.09 0.00 0.00 178.44 179.93 1nkz h VAL 30 N 1.04 1.22 0.04 1.22 2.07 -0.91 -1.03 116.25 119.90 1nkz h VAL 30 Ca 0.27 -0.72 0.02 0.00 0.82 0.00 0.00 66.70 67.09 1nkz h VAL 30 Cb -0.06 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 1nkz h VAL 30 CO -0.05 0.26 -0.20 0.45 0.02 0.00 0.00 177.57 178.04 1nkz h HIS 31 N 0.58 -0.54 -0.49 1.57 3.86 -1.10 -2.02 115.15 117.01 1nkz h HIS 31 Ca 0.14 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.32 1nkz h HIS 31 Cb 0.26 0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.94 1nkz h HIS 31 CO 0.01 -0.29 0.11 -0.07 0.86 0.00 0.00 177.93 178.55 1nkz h LEU 32 N -0.35 0.70 -0.19 2.43 3.38 -1.05 -1.44 115.31 118.78 1nkz h LEU 32 Ca 0.05 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1nkz h LEU 32 Cb 0.40 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1nkz h LEU 32 CO -0.16 0.70 0.09 0.00 0.09 0.00 0.00 178.44 179.16 1nkz h ALA 33 N 1.39 0.25 -0.62 1.53 0.00 -1.01 -1.91 119.26 118.89 1nkz h ALA 33 Ca 0.16 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1nkz h ALA 33 Cb 0.29 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1nkz h ALA 33 CO 0.00 -0.19 0.15 0.82 0.00 0.00 0.00 179.25 180.04 1nkz h ILE 34 N 0.18 1.24 -0.94 0.00 2.04 -1.16 -1.71 117.51 117.18 1nkz h ILE 34 Ca 0.07 -0.88 -0.00 0.00 1.00 0.00 0.00 64.86 65.04 1nkz h ILE 34 Cb 0.12 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 36.76 1nkz h ILE 34 CO -0.01 0.33 0.57 0.25 0.00 0.00 0.00 178.15 179.30 1nkz h LEU 35 N 0.93 1.12 0.00 1.44 5.85 -1.16 -2.23 115.31 121.26 1nkz h LEU 35 Ca 0.20 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1nkz h LEU 35 Cb 0.32 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.07 1nkz h LEU 35 CO -0.00 0.86 -0.11 0.28 -0.34 0.00 0.00 178.44 179.12 1nkz h SER 36 N 1.29 0.00 0.00 1.25 0.02 -1.01 -3.37 113.55 111.73 1nkz h SER 36 Ca 0.34 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 1nkz h SER 36 Cb -0.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.48 1nkz h SER 36 CO -0.06 0.02 -0.14 1.41 -1.14 0.00 0.00 176.83 176.91 1nkz n HIS 37 N -2.33 0.00 -4.19 3.45 8.25 -0.67 -5.02 115.22 114.71 1nkz n HIS 37 Ca 0.05 -0.57 -0.12 0.00 -0.26 0.00 0.00 57.72 56.82 1nkz n HIS 37 Cb 0.44 -0.10 -0.10 0.00 1.12 0.00 0.00 29.99 31.36 1nkz n HIS 37 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1nkz s THR 38 N -1.58 0.88 -0.13 1.59 -4.23 -0.87 -5.02 115.64 106.28 1nkz s THR 38 Ca 0.16 -1.91 0.17 0.00 -1.18 0.00 0.00 61.69 58.92 1nkz s THR 38 Cb 0.14 -1.67 -0.08 0.00 1.34 0.00 0.00 72.50 72.23 1nkz s THR 38 CO 0.01 -0.78 0.99 0.71 -0.54 0.00 0.00 174.62 175.02 1nkz h THR 39 N 3.02 0.57 0.00 3.99 1.35 -1.90 -3.41 112.91 116.54 1nkz h THR 39 Ca -0.36 -2.00 -0.13 0.00 -0.55 0.00 0.00 66.41 63.37 1nkz h THR 39 Cb 1.18 2.10 -0.02 0.00 -1.73 0.00 0.00 68.15 69.68 1nkz h THR 39 CO 0.62 0.32 -0.60 4.11 -0.25 0.00 0.00 175.52 179.73 1nkz h TRP 40 N 0.00 0.00 -0.01 4.73 5.08 -1.95 -1.81 115.95 121.99 1nkz h TRP 40 Ca -0.11 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.85 1nkz h TRP 40 Cb 1.51 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.67 1nkz h TRP 40 CO 0.00 0.60 -0.02 0.35 -1.28 0.00 0.00 178.44 178.09 1nkz h PHE 41 N 0.00 0.04 -0.89 0.12 3.57 -1.88 -1.66 116.94 116.24 1nkz h PHE 41 Ca -0.01 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.55 1nkz h PHE 41 Cb 1.40 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 40.07 1nkz h PHE 41 CO 0.00 0.64 0.55 -1.35 -2.23 0.00 0.00 178.31 175.92 1nkz h PRO 42 N -0.58 0.96 -0.22 6.41 0.11 -1.79 -1.78 132.00 135.11 1nkz h PRO 42 Ca -0.00 -0.06 0.01 0.00 0.11 0.00 0.00 66.00 66.06 1nkz h PRO 42 Cb 0.64 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.53 1nkz h PRO 42 CO 0.00 0.64 0.14 0.00 -0.21 0.00 0.00 178.00 178.57 1nkz h ALA 43 N 1.42 1.91 -0.40 -0.75 0.00 -1.21 -0.60 119.26 119.63 1nkz h ALA 43 Ca 0.39 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 1nkz h ALA 43 Cb 0.20 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1nkz h ALA 43 CO -0.18 0.07 0.20 -0.92 0.00 0.00 0.00 179.25 178.42 1nkz h TYR 44 N 0.24 0.57 -0.32 0.00 3.20 -0.38 -1.42 116.97 118.86 1nkz h TYR 44 Ca 0.08 -0.03 -0.12 0.00 3.14 0.00 0.00 58.73 61.81 1nkz h TYR 44 Cb 0.04 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 1nkz h TYR 44 CO -0.00 0.47 -0.28 -1.49 -1.64 0.00 0.00 178.16 175.21 1nkz h TRP 45 N 0.50 0.89 -0.93 -3.82 6.55 -1.37 -3.13 115.95 114.65 1nkz h TRP 45 Ca 0.14 -0.26 0.05 0.00 0.95 0.00 0.00 58.89 59.77 1nkz h TRP 45 Cb 0.11 -0.19 -0.06 0.00 -0.86 0.00 0.00 29.16 28.16 1nkz h TRP 45 CO -0.01 1.02 0.61 0.37 -1.05 0.00 0.00 178.44 179.37 1nkz h GLN 46 N 0.51 1.08 0.00 0.49 5.75 -0.97 -3.47 115.11 118.51 1nkz h GLN 46 Ca 0.05 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 1nkz h GLN 46 Cb 0.85 -0.24 0.00 0.00 1.07 0.00 0.00 27.48 29.16 1nkz h GLN 46 CO 0.07 0.72 0.00 0.41 -2.65 0.00 0.00 178.83 177.38 1nkz n GLY 47 N -1.39 2.45 2.46 2.39 0.00 -0.55 -4.91 105.19 105.65 1nkz n GLY 47 Ca 0.13 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1nkz n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nkz n GLY 48 N 0.00 0.36 3.88 -0.02 0.00 -1.26 -5.01 105.19 103.15 1nkz n GLY 48 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1nkz n GLY 48 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1nkz s VAL 49 N -1.80 4.76 0.00 1.61 -7.23 -1.26 -5.01 120.40 111.47 1nkz s VAL 49 Ca 0.00 0.70 0.00 0.00 -1.81 0.00 0.00 61.98 60.87 1nkz s VAL 49 Cb 0.00 -3.86 0.00 0.00 0.56 0.00 0.00 36.38 33.08 1nkz s VAL 49 CO 0.00 -1.03 0.00 0.29 -0.31 0.00 0.00 175.10 174.05 1nkz n LYS 50 N -2.53 0.00 0.00 4.82 4.76 -1.26 -5.18 118.16 118.77 1nkz n LYS 50 Ca 0.04 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.48 1nkz n LYS 50 Cb 0.54 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.73 1nkz n LYS 50 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1nkz n LYS 51 N 0.00 0.00 0.00 1.97 4.81 -1.26 -5.19 118.16 118.49 1nkz n LYS 51 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1nkz n LYS 51 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1nkz n LYS 51 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1nkz n ALA 52 N -3.00 0.00 -1.79 3.14 0.00 -1.26 -5.32 120.51 112.29 1nkz n ALA 52 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1nkz n ALA 52 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1nkz n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50