#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 3.93 0.12 -3.83 1.13 -1.26 -4.72 117.38 112.74 1nkz n GLN 3 Ca 0.00 -3.03 0.10 0.00 -1.94 0.00 0.00 57.00 52.12 1nkz n GLN 3 Cb 0.00 -2.08 0.46 0.00 0.11 0.00 0.00 30.24 28.72 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 0.04 -0.97 0.49 1.08 0.00 -1.26 -1.66 105.19 102.92 1nkz n GLY 4 Ca 0.26 0.11 0.06 0.00 0.00 0.00 0.00 46.02 46.46 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 -2.09 1.63 -0.16 1.61 5.02 -1.26 -4.38 118.16 118.53 1nkz n LYS 5 Ca 0.00 -0.97 0.05 0.00 -2.02 0.00 0.00 58.31 55.38 1nkz n LYS 5 Cb 0.11 -1.26 0.34 0.00 -0.02 0.00 0.00 35.03 34.20 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 1.67 1.07 -0.00 -0.18 6.09 -1.71 -1.49 117.51 122.95 1nkz h ILE 6 Ca 0.00 -0.27 0.00 0.00 -1.37 0.00 0.00 64.86 63.22 1nkz h ILE 6 Cb 0.38 0.22 0.00 0.00 0.47 0.00 0.00 36.82 37.89 1nkz h ILE 6 CO 0.00 0.14 0.00 0.79 -3.07 0.00 0.00 178.15 176.01 1nkz n TRP 7 N -4.47 0.00 0.60 2.19 7.02 -1.26 -1.02 117.44 120.50 1nkz n TRP 7 Ca 0.09 -0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.70 1nkz n TRP 7 Cb 0.17 0.00 0.43 0.00 -2.42 0.00 0.00 31.31 29.48 1nkz n TRP 7 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 1nkz n THR 8 N -0.94 0.61 0.00 -0.99 -2.24 -0.56 -4.42 114.28 105.74 1nkz n THR 8 Ca 0.21 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1nkz n THR 8 Cb 0.10 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 67.65 1nkz n THR 8 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1nkz n VAL 9 N -2.23 0.00 -3.62 2.28 0.24 -0.54 -4.99 118.33 109.47 1nkz n VAL 9 Ca 0.05 0.00 -0.36 0.00 -2.04 0.00 0.00 64.34 61.99 1nkz n VAL 9 Cb 0.40 -0.51 -0.08 0.00 -1.47 0.00 0.00 33.84 32.18 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 -1.94 5.35 -0.22 3.34 1.01 -0.19 -5.04 120.40 122.70 1nkz s VAL 10 Ca 0.00 0.39 -0.29 0.00 0.00 0.00 0.00 61.98 62.08 1nkz s VAL 10 Cb 0.00 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 1nkz s VAL 10 CO 0.00 0.40 1.66 0.21 0.00 0.00 0.00 175.10 177.37 1nkz s ASN 11 N 0.47 6.32 0.58 3.32 2.47 -1.26 -4.32 114.94 122.52 1nkz s ASN 11 Ca 0.13 1.64 0.31 0.00 0.42 0.00 0.00 52.86 55.35 1nkz s ASN 11 Cb -0.12 -2.53 1.77 0.00 -1.45 0.00 0.00 41.25 38.91 1nkz s ASN 11 CO 0.01 -1.30 2.21 1.55 -3.72 0.00 0.00 177.10 175.85 1nkz h PRO 12 N 10.98 0.00 -0.04 0.43 0.13 -1.96 0.10 132.00 141.65 1nkz h PRO 12 Ca -0.34 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.80 1nkz h PRO 12 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 1nkz h PRO 12 CO 1.00 0.04 0.04 0.00 -0.23 0.00 0.00 178.00 178.85 1nkz h ALA 13 N 1.96 1.82 0.01 -0.56 0.00 -2.00 -1.59 119.26 118.91 1nkz h ALA 13 Ca -0.00 -0.00 -0.40 0.00 0.00 0.00 0.00 54.91 54.51 1nkz h ALA 13 Cb 0.11 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 1nkz h ALA 13 CO 0.00 -0.06 -2.38 -0.89 0.00 0.00 0.00 179.25 175.93 1nkz n ILE 14 N -4.19 1.54 -0.20 0.00 2.08 -0.55 -4.57 119.36 113.45 1nkz n ILE 14 Ca -0.02 -0.49 -0.10 0.00 0.56 0.00 0.00 62.75 62.70 1nkz n ILE 14 Cb 0.13 -1.63 0.02 0.00 -0.75 0.00 0.00 39.64 37.41 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 0.83 1.13 0.69 7.39 0.00 -0.77 -1.63 103.07 110.72 1nkz h GLY 15 Ca -0.59 -0.86 -0.03 0.00 0.00 0.00 0.00 47.33 45.85 1nkz h GLY 15 CO -0.18 0.79 -0.07 -2.22 0.00 0.00 0.00 176.54 174.86 1nkz h ILE 16 N 0.94 1.33 -0.63 2.60 2.04 -1.53 -0.63 117.51 121.64 1nkz h ILE 16 Ca 0.16 -1.14 -0.00 0.00 1.00 0.00 0.00 64.86 64.88 1nkz h ILE 16 Cb 0.59 1.87 -0.03 0.00 -0.74 0.00 0.00 36.82 38.51 1nkz h ILE 16 CO 0.04 0.32 0.39 -0.65 0.00 0.00 0.00 178.15 178.25 1nkz h PRO 17 N -0.15 0.84 -0.54 2.37 0.11 -1.76 -1.44 132.00 131.44 1nkz h PRO 17 Ca 0.02 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 1nkz h PRO 17 Cb 0.55 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.45 1nkz h PRO 17 CO 0.02 0.58 0.24 0.00 -0.21 0.00 0.00 178.00 178.63 1nkz h ALA 18 N 1.57 0.69 -0.08 -0.75 0.00 -1.20 -0.06 119.26 119.43 1nkz h ALA 18 Ca 0.23 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1nkz h ALA 18 Cb -0.05 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 1nkz h ALA 18 CO -0.04 0.28 0.05 1.25 0.00 0.00 0.00 179.25 180.79 1nkz h LEU 19 N 0.72 0.09 -0.44 0.00 5.85 -0.76 -0.54 115.31 120.24 1nkz h LEU 19 Ca 0.18 -0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.84 1nkz h LEU 19 Cb 0.15 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 1nkz h LEU 19 CO -0.02 0.07 0.05 -0.07 -0.34 0.00 0.00 178.44 178.13 1nkz h LEU 20 N 0.11 0.72 -0.59 2.25 3.38 -1.12 -1.12 115.31 118.95 1nkz h LEU 20 Ca 0.03 -0.28 -0.09 0.00 0.09 0.00 0.00 57.88 57.64 1nkz h LEU 20 Cb -0.01 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1nkz h LEU 20 CO -0.01 0.82 0.03 1.23 0.09 0.00 0.00 178.44 180.60 1nkz h GLY 21 N 0.60 1.09 0.91 0.83 0.00 -1.01 -2.57 103.07 102.94 1nkz h GLY 21 Ca 0.13 -0.78 -0.02 0.00 0.00 0.00 0.00 47.33 46.66 1nkz h GLY 21 CO 0.01 0.72 0.11 1.76 0.00 0.00 0.00 176.54 179.15 1nkz h SER 22 N 0.91 0.42 -0.70 0.19 0.02 -0.88 -1.18 113.55 112.33 1nkz h SER 22 Ca 0.17 -0.18 0.08 0.00 -0.84 0.00 0.00 61.79 61.03 1nkz h SER 22 Cb 0.51 -0.11 -0.06 0.00 0.14 0.00 0.00 62.40 62.87 1nkz h SER 22 CO 0.02 0.48 0.37 0.58 -1.14 0.00 0.00 176.83 177.14 1nkz h VAL 23 N 0.33 0.90 -0.53 2.27 2.07 -1.20 -1.25 116.25 118.85 1nkz h VAL 23 Ca 0.10 -0.22 -0.09 0.00 0.82 0.00 0.00 66.70 67.30 1nkz h VAL 23 Cb 0.20 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 1nkz h VAL 23 CO -0.01 0.12 -0.03 0.74 0.02 0.00 0.00 177.57 178.41 1nkz h THR 24 N 0.65 1.27 -0.54 2.57 2.02 -1.24 -1.69 112.91 115.94 1nkz h THR 24 Ca 0.33 -1.15 -0.00 0.00 0.77 0.00 0.00 66.41 66.36 1nkz h THR 24 Cb 0.30 0.95 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 1nkz h THR 24 CO -0.23 0.41 0.32 0.58 0.37 0.00 0.00 175.52 176.97 1nkz h VAL 25 N 0.83 1.16 -0.57 3.16 2.07 -0.94 -0.90 116.25 121.06 1nkz h VAL 25 Ca 0.15 -0.37 0.03 0.00 0.82 0.00 0.00 66.70 67.33 1nkz h VAL 25 Cb 0.58 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 1nkz h VAL 25 CO 0.03 0.17 0.34 0.40 0.02 0.00 0.00 177.57 178.53 1nkz h ILE 26 N 0.72 1.05 -0.76 4.57 2.04 -0.97 -0.71 117.51 123.45 1nkz h ILE 26 Ca 0.19 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 1nkz h ILE 26 Cb -0.01 0.33 -0.04 0.00 -0.74 0.00 0.00 36.82 36.36 1nkz h ILE 26 CO -0.04 0.12 0.43 0.00 0.00 0.00 0.00 178.15 178.67 1nkz h ALA 27 N 1.26 0.98 -0.33 1.87 0.00 -0.88 -0.53 119.26 121.62 1nkz h ALA 27 Ca 0.23 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1nkz h ALA 27 Cb 0.04 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1nkz h ALA 27 CO -0.11 0.48 0.16 0.82 0.00 0.00 0.00 179.25 180.60 1nkz h ILE 28 N 1.05 1.16 -0.64 0.00 2.04 -0.78 -1.97 117.51 118.38 1nkz h ILE 28 Ca 0.27 -0.46 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 1nkz h ILE 28 Cb 0.02 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 1nkz h ILE 28 CO -0.05 0.17 0.32 -0.07 0.00 0.00 0.00 178.15 178.52 1nkz h LEU 29 N 0.40 0.82 -0.50 1.44 3.38 -0.62 -1.27 115.31 118.97 1nkz h LEU 29 Ca 0.11 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1nkz h LEU 29 Cb 0.12 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1nkz h LEU 29 CO -0.01 0.71 0.25 0.58 0.09 0.00 0.00 178.44 180.06 1nkz h VAL 30 N 0.87 1.19 -0.09 1.22 2.07 -1.05 -0.84 116.25 119.62 1nkz h VAL 30 Ca 0.22 -0.51 0.02 0.00 0.82 0.00 0.00 66.70 67.25 1nkz h VAL 30 Cb 0.10 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 1nkz h VAL 30 CO -0.03 0.20 -0.03 0.45 0.02 0.00 0.00 177.57 178.18 1nkz h HIS 31 N 0.67 -0.07 -0.34 1.57 3.86 -1.15 -2.00 115.15 117.69 1nkz h HIS 31 Ca 0.17 0.01 -0.08 0.00 -1.16 0.00 0.00 60.37 59.31 1nkz h HIS 31 Cb 0.09 0.04 -0.02 0.00 1.06 0.00 0.00 27.41 28.59 1nkz h HIS 31 CO -0.01 -0.05 -0.12 -0.07 0.86 0.00 0.00 177.93 178.54 1nkz h LEU 32 N -0.01 0.58 -0.35 2.43 3.38 -1.08 -1.41 115.31 118.85 1nkz h LEU 32 Ca 0.05 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 1nkz h LEU 32 Cb 0.08 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1nkz h LEU 32 CO -0.10 0.73 0.03 0.00 0.09 0.00 0.00 178.44 179.19 1nkz h ALA 33 N 1.33 0.47 -0.61 1.53 0.00 -1.00 -2.10 119.26 118.88 1nkz h ALA 33 Ca 0.10 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1nkz h ALA 33 Cb 0.53 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1nkz h ALA 33 CO 0.03 0.20 0.24 0.82 0.00 0.00 0.00 179.25 180.55 1nkz h ILE 34 N 0.43 1.23 -0.94 0.00 2.04 -1.16 -1.68 117.51 117.43 1nkz h ILE 34 Ca 0.10 -0.73 0.07 0.00 1.00 0.00 0.00 64.86 65.30 1nkz h ILE 34 Cb 0.40 0.56 -0.06 0.00 -0.74 0.00 0.00 36.82 36.98 1nkz h ILE 34 CO 0.01 0.28 0.61 0.25 0.00 0.00 0.00 178.15 179.31 1nkz h LEU 35 N 0.86 0.95 0.00 1.44 5.85 -1.20 -2.14 115.31 121.06 1nkz h LEU 35 Ca 0.20 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.93 1nkz h LEU 35 Cb 0.21 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.05 1nkz h LEU 35 CO -0.02 0.60 -0.23 0.28 -0.34 0.00 0.00 178.44 178.74 1nkz h SER 36 N 1.07 0.00 0.00 1.25 0.02 -1.03 -3.37 113.55 111.49 1nkz h SER 36 Ca 0.41 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 1nkz h SER 36 Cb 0.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.75 1nkz h SER 36 CO -0.16 0.03 -0.09 1.41 -1.14 0.00 0.00 176.83 176.88 1nkz n HIS 37 N -2.37 0.00 -4.21 3.45 8.25 -0.66 -5.01 115.22 114.66 1nkz n HIS 37 Ca 0.04 -0.62 -0.14 0.00 -0.26 0.00 0.00 57.72 56.74 1nkz n HIS 37 Cb 0.45 -0.10 -0.10 0.00 1.12 0.00 0.00 29.99 31.37 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 -1.69 1.02 -0.11 1.59 -4.23 -0.85 -5.01 115.64 106.36 1nkz s THR 38 Ca 0.16 -1.88 0.15 0.00 -1.18 0.00 0.00 61.69 58.94 1nkz s THR 38 Cb 0.14 -1.64 -0.07 0.00 1.34 0.00 0.00 72.50 72.28 1nkz s THR 38 CO 0.02 -0.69 1.12 0.71 -0.54 0.00 0.00 174.62 175.24 1nkz h THR 39 N 3.11 0.80 0.00 3.99 1.35 -1.89 -3.40 112.91 116.86 1nkz h THR 39 Ca -0.37 -2.27 -0.10 0.00 -0.55 0.00 0.00 66.41 63.12 1nkz h THR 39 Cb 1.19 2.30 -0.01 0.00 -1.73 0.00 0.00 68.15 69.89 1nkz h THR 39 CO 0.59 0.45 -0.49 4.11 -0.25 0.00 0.00 175.52 179.94 1nkz h TRP 40 N 0.00 0.00 0.06 4.73 5.08 -1.95 -1.64 115.95 122.23 1nkz h TRP 40 Ca -0.09 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.88 1nkz h TRP 40 Cb 1.54 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.70 1nkz h TRP 40 CO 0.00 0.49 -0.03 0.35 -1.28 0.00 0.00 178.44 177.97 1nkz h PHE 41 N 0.00 -0.08 -0.93 0.12 3.57 -1.88 -1.39 116.94 116.35 1nkz h PHE 41 Ca -0.00 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.58 1nkz h PHE 41 Cb 1.36 0.03 -0.07 0.00 2.79 0.00 0.00 35.95 40.06 1nkz h PHE 41 CO 0.00 0.51 0.60 -1.35 -2.23 0.00 0.00 178.31 175.83 1nkz h PRO 42 N -0.80 0.95 -0.12 6.41 0.11 -1.79 -2.17 132.00 134.59 1nkz h PRO 42 Ca -0.01 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.02 1nkz h PRO 42 Cb 0.62 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 1nkz h PRO 42 CO 0.01 0.63 -0.02 0.00 -0.21 0.00 0.00 178.00 178.41 1nkz h ALA 43 N 1.53 1.75 -0.38 -0.75 0.00 -1.19 -0.82 119.26 119.39 1nkz h ALA 43 Ca 0.42 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.27 1nkz h ALA 43 Cb 0.33 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1nkz h ALA 43 CO -0.18 0.19 0.16 -0.92 0.00 0.00 0.00 179.25 178.51 1nkz h TYR 44 N 0.17 0.30 -0.32 0.00 3.20 -0.58 -1.16 116.97 118.58 1nkz h TYR 44 Ca 0.04 0.02 -0.17 0.00 3.14 0.00 0.00 58.73 61.76 1nkz h TYR 44 Cb 0.16 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.35 1nkz h TYR 44 CO 0.00 0.14 -0.48 -1.49 -1.64 0.00 0.00 178.16 174.69 1nkz h TRP 45 N 0.34 1.06 -0.68 -3.82 6.55 -1.38 -3.18 115.95 114.84 1nkz h TRP 45 Ca 0.17 -0.35 -0.01 0.00 0.95 0.00 0.00 58.89 59.64 1nkz h TRP 45 Cb 0.11 -0.21 -0.03 0.00 -0.86 0.00 0.00 29.16 28.16 1nkz h TRP 45 CO -0.12 1.17 0.37 0.37 -1.05 0.00 0.00 178.44 179.18 1nkz h GLN 46 N 0.68 0.94 0.00 0.49 5.75 -0.98 -3.47 115.11 118.52 1nkz h GLN 46 Ca 0.03 -0.10 0.00 0.00 -0.15 0.00 0.00 58.65 58.43 1nkz h GLN 46 Cb 1.07 -0.19 0.00 0.00 1.07 0.00 0.00 27.48 29.44 1nkz h GLN 46 CO 0.11 0.69 0.00 0.41 -2.65 0.00 0.00 178.83 177.39 1nkz n GLY 47 N -1.22 1.91 2.51 2.39 0.00 -0.45 -4.91 105.19 105.42 1nkz n GLY 47 Ca 0.07 -0.52 -0.09 0.00 0.00 0.00 0.00 46.02 45.47 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 1.04 3.66 -0.02 0.00 -1.26 -4.99 105.19 103.62 1nkz n GLY 48 Ca 0.00 -0.23 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.12 5.16 -0.36 1.61 -7.23 -1.26 -4.97 120.40 111.23 1nkz s VAL 49 Ca 0.00 0.79 0.13 0.00 -1.81 0.00 0.00 61.98 61.09 1nkz s VAL 49 Cb 0.00 -3.77 0.42 0.00 0.56 0.00 0.00 36.38 33.59 1nkz s VAL 49 CO 0.00 0.21 1.21 0.29 -0.31 0.00 0.00 175.10 176.51 1nkz n LYS 50 N 4.67 1.22 0.00 4.82 4.76 -1.26 -5.14 118.16 127.22 1nkz n LYS 50 Ca -0.07 -2.39 0.00 0.00 -2.87 0.00 0.00 58.31 52.98 1nkz n LYS 50 Cb 0.51 -0.53 0.00 0.00 -1.84 0.00 0.00 35.03 33.17 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 -0.47 0.00 0.00 1.97 0.00 -1.26 -5.08 118.16 113.32 1nkz n LYS 51 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.32 1nkz n LYS 51 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.87 1nkz n LYS 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1nkz n ALA 52 N 4.25 0.00 -1.71 3.14 0.00 -1.26 -5.28 120.51 119.65 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