#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kix n LEU 2 N 0.00 0.00 0.06 4.03 7.94 -1.26 -5.05 117.00 122.72 2kix n LEU 2 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2kix n LEU 2 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2kix n LEU 2 CO 0.00 0.00 0.00 -0.62 -1.11 0.00 0.00 177.39 175.66 2kix n GLU 3 N 0.00 0.00 -0.16 1.96 1.02 -1.26 -4.78 120.64 117.43 2kix n GLU 3 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.04 2kix n GLU 3 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.41 2kix n GLU 3 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2kix h PRO 4 N 0.00 0.83 0.16 3.49 0.13 -2.00 -3.00 132.00 131.60 2kix h PRO 4 Ca 0.00 -0.29 -0.30 0.00 -0.87 0.00 0.00 66.00 64.54 2kix h PRO 4 Cb 0.00 -0.06 0.01 0.00 0.13 0.00 0.00 31.00 31.08 2kix h PRO 4 CO 0.00 0.90 -1.46 0.35 -0.23 0.00 0.00 178.00 177.56 2kix h PHE 5 N 0.67 0.63 -0.42 1.56 3.57 -2.01 -3.34 116.94 117.61 2kix h PHE 5 Ca 0.12 -0.46 0.09 0.00 3.53 0.00 0.00 57.97 61.25 2kix h PHE 5 Cb 0.56 -0.03 -0.09 0.00 2.79 0.00 0.00 35.95 39.18 2kix h PHE 5 CO 0.04 1.57 -0.27 0.37 -2.23 0.00 0.00 178.31 177.79 2kix h GLN 6 N -0.10 -0.19 -0.01 1.11 5.75 -1.86 0.67 115.11 120.48 2kix h GLN 6 Ca -0.29 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.22 2kix h GLN 6 Cb 1.92 0.04 -0.00 0.00 1.07 0.00 0.00 27.48 30.52 2kix h GLN 6 CO 0.14 -0.12 0.12 0.97 -2.65 0.00 0.00 178.83 177.28 2kix h ILE 7 N -0.19 0.02 -0.04 2.39 2.10 -1.68 -1.07 117.51 119.05 2kix h ILE 7 Ca 0.19 0.00 -0.03 0.00 1.08 0.00 0.00 64.86 66.11 2kix h ILE 7 Cb 0.50 0.89 0.00 0.00 -1.09 0.00 0.00 36.82 37.12 2kix h ILE 7 CO -0.53 0.00 -0.08 0.25 -1.08 0.00 0.00 178.15 176.71 2kix h LEU 8 N 0.00 0.14 -0.82 2.19 6.46 0.24 -2.84 115.31 120.68 2kix h LEU 8 Ca 0.00 -0.57 0.05 0.00 -0.12 0.00 0.00 57.88 57.24 2kix h LEU 8 Cb 0.23 -0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 40.07 2kix h LEU 8 CO -0.00 0.68 0.52 0.28 -0.62 0.00 0.00 178.44 179.30 2kix h SER 9 N -0.40 0.83 0.42 1.25 0.02 -0.89 -2.54 113.55 112.25 2kix h SER 9 Ca 0.00 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 2kix h SER 9 Cb 0.66 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 63.00 2kix h SER 9 CO 0.02 0.55 -0.50 0.40 -1.14 0.00 0.00 176.83 176.16 2kix h ILE 10 N 0.97 0.03 -0.84 3.27 1.08 -1.45 0.48 117.51 121.05 2kix h ILE 10 Ca 0.34 0.00 0.20 0.00 -0.39 0.00 0.00 64.86 65.01 2kix h ILE 10 Cb 0.09 0.03 -0.15 0.00 -3.07 0.00 0.00 36.82 33.71 2kix h ILE 10 CO -0.14 0.00 -0.05 0.28 -0.69 0.00 0.00 178.15 177.55 2kix h SER 11 N -0.94 -0.51 -0.92 1.72 0.02 -1.23 0.53 113.55 112.22 2kix h SER 11 Ca -0.05 0.23 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 2kix h SER 11 Cb 0.84 0.43 -0.05 0.00 0.14 0.00 0.00 62.40 63.77 2kix h SER 11 CO -0.11 -0.25 0.59 0.28 -1.14 0.00 0.00 176.83 176.20 2kix h SER 12 N 0.05 1.09 -0.59 3.07 0.02 -0.94 -1.60 113.55 114.65 2kix h SER 12 Ca 0.46 -0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.33 2kix h SER 12 Cb 0.82 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 63.06 2kix h SER 12 CO -0.79 0.81 0.27 0.15 -1.14 0.00 0.00 176.83 176.13 2kix h PHE 13 N 1.26 0.87 -0.77 3.45 3.57 0.22 0.24 116.94 125.79 2kix h PHE 13 Ca 0.34 -0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.74 2kix h PHE 13 Cb -0.10 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.34 2kix h PHE 13 CO -0.00 0.68 0.31 0.82 -2.23 0.00 0.00 178.31 177.88 2kix h ILE 14 N 0.81 1.25 -0.16 1.41 2.04 -0.64 -2.68 117.51 119.55 2kix h ILE 14 Ca 0.20 -0.80 -0.13 0.00 1.00 0.00 0.00 64.86 65.13 2kix h ILE 14 Cb 0.15 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 2kix h ILE 14 CO -0.02 0.32 -0.42 0.25 0.00 0.00 0.00 178.15 178.28 2kix h LEU 15 N 1.11 0.64 -0.60 1.44 6.46 -0.87 -2.63 115.31 120.86 2kix h LEU 15 Ca 0.26 -0.58 0.12 0.00 -0.12 0.00 0.00 57.88 57.55 2kix h LEU 15 Cb 0.20 -0.19 -0.10 0.00 -0.73 0.00 0.00 40.66 39.85 2kix h LEU 15 CO -0.02 1.11 0.04 0.77 -0.62 0.00 0.00 178.44 179.72 2kix h SER 16 N 0.20 -0.18 -0.46 1.25 4.64 -0.29 0.34 113.55 119.05 2kix h SER 16 Ca -0.01 0.14 -0.14 0.00 -0.47 0.00 0.00 61.79 61.31 2kix h SER 16 Cb 1.04 0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 63.34 2kix h SER 16 CO 0.09 -0.07 -0.25 0.00 -0.87 0.00 0.00 176.83 175.73 2kix h ALA 17 N 1.52 0.66 -0.04 5.18 0.00 -1.50 -1.47 119.26 123.61 2kix h ALA 17 Ca 0.31 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2kix h ALA 17 Cb 0.49 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2kix h ALA 17 CO -0.48 0.67 0.02 1.25 0.00 0.00 0.00 179.25 180.72 2kix h LEU 18 N 0.84 0.06 -1.16 0.00 5.85 -0.76 -2.11 115.31 118.02 2kix h LEU 18 Ca 0.10 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 2kix h LEU 18 Cb 0.84 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 2kix h LEU 18 CO 0.07 0.17 0.23 -0.74 -0.34 0.00 0.00 178.44 177.83 2kix h HIS 19 N -0.06 0.82 0.10 1.25 2.76 -0.36 0.40 115.15 120.07 2kix h HIS 19 Ca 0.01 -0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.14 2kix h HIS 19 Cb 0.13 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 28.84 2kix h HIS 19 CO -0.03 0.63 -0.05 0.35 -1.30 0.00 0.00 177.93 177.53 2kix h PHE 20 N 0.81 -0.12 -0.07 5.26 3.57 -0.92 0.45 116.94 125.91 2kix h PHE 20 Ca 0.19 -0.00 -0.22 0.00 3.53 0.00 0.00 57.97 61.47 2kix h PHE 20 Cb 0.16 0.04 0.01 0.00 2.79 0.00 0.00 35.95 38.95 2kix h PHE 20 CO 0.01 -0.07 -0.85 0.82 -2.23 0.00 0.00 178.31 175.99 2kix h ILE 21 N -0.14 1.33 -0.14 1.41 2.04 -1.15 -2.78 117.51 118.08 2kix h ILE 21 Ca -0.01 -2.18 -0.09 0.00 1.00 0.00 0.00 64.86 63.58 2kix h ILE 21 Cb 0.11 2.19 -0.01 0.00 -0.74 0.00 0.00 36.82 38.37 2kix h ILE 21 CO 0.02 0.67 -0.29 0.00 0.00 0.00 0.00 178.15 178.55 2kix h ALA 22 N 0.67 1.25 -0.09 1.87 0.00 -0.05 -2.27 119.26 120.64 2kix h ALA 22 Ca -0.07 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 2kix h ALA 22 Cb 1.47 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2kix h ALA 22 CO 0.16 0.50 -0.19 2.35 0.00 0.00 0.00 179.25 182.07 2kix h TRP 23 N 0.24 0.38 -0.20 0.00 2.91 -0.07 -0.91 115.95 118.29 2kix h TRP 23 Ca 0.03 -0.14 -0.03 0.00 1.13 0.00 0.00 58.89 59.89 2kix h TRP 23 Cb 0.64 -0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 29.21 2kix h TRP 23 CO 0.01 0.80 0.01 1.15 -1.03 0.00 0.00 178.44 179.38 2kix h THR 24 N -0.16 1.13 0.08 2.65 2.02 -1.40 0.34 112.91 117.57 2kix h THR 24 Ca 0.00 -0.48 -0.00 0.00 0.77 0.00 0.00 66.41 66.70 2kix h THR 24 Cb 0.78 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 68.16 2kix h THR 24 CO 0.04 0.16 -0.04 0.40 0.37 0.00 0.00 175.52 176.45 2kix h ILE 25 N 0.29 0.00 -0.59 3.11 2.04 -1.35 -1.47 117.51 119.54 2kix h ILE 25 Ca 0.07 -0.77 0.01 0.00 1.00 0.00 0.00 64.86 65.17 2kix h ILE 25 Cb 0.18 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.23 2kix h ILE 25 CO 0.00 0.00 0.39 1.23 0.00 0.00 0.00 178.15 179.78 2kix h GLY 26 N -0.88 0.83 0.40 5.37 0.00 -1.17 0.42 103.07 108.04 2kix h GLY 26 Ca -0.01 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 2kix h GLY 26 CO 0.02 0.30 -0.14 0.84 0.00 0.00 0.00 176.54 177.56 2kix h HIS 27 N 0.80 -0.36 -0.67 5.60 -0.00 -0.45 -1.88 115.15 118.19 2kix h HIS 27 Ca 0.22 -0.01 0.08 0.00 -0.00 0.00 0.00 60.37 60.66 2kix h HIS 27 Cb -0.09 0.12 -0.06 0.00 -0.00 0.00 0.00 27.41 27.38 2kix h HIS 27 CO -0.00 -0.06 0.33 1.25 -0.00 0.00 0.00 177.93 179.45 2kix h LEU 28 N -1.00 0.44 -0.99 0.26 6.46 -1.14 -0.21 115.31 119.14 2kix h LEU 28 Ca -0.04 0.05 0.06 0.00 -0.12 0.00 0.00 57.88 57.84 2kix h LEU 28 Cb 0.46 -0.02 -0.07 0.00 -0.73 0.00 0.00 40.66 40.30 2kix h LEU 28 CO 0.07 0.27 0.63 0.78 -0.62 0.00 0.00 178.44 179.57 2kix h ASN 29 N 0.59 1.02 -0.57 1.25 -0.26 -0.19 -1.67 115.58 115.74 2kix h ASN 29 Ca 0.32 0.01 0.03 0.00 -0.56 0.00 0.00 56.30 56.10 2kix h ASN 29 Cb 0.30 -0.21 -0.04 0.00 -1.06 0.00 0.00 38.32 37.32 2kix h ASN 29 CO -0.24 0.65 0.34 -0.61 -1.06 0.00 0.00 177.43 176.50 2kix h GLN 30 N 1.15 0.64 -2.16 0.81 4.15 -0.18 -2.17 115.11 117.36 2kix h GLN 30 Ca 0.43 -0.04 -0.56 0.00 0.77 0.00 0.00 58.65 59.25 2kix h GLN 30 Cb 0.16 -0.14 -0.16 0.00 0.21 0.00 0.00 27.48 27.55 2kix h GLN 30 CO -0.17 0.42 0.91 0.44 -1.93 0.00 0.00 178.83 178.50 2kix n ILE 31 N -4.78 3.83 0.06 2.39 -5.35 -0.63 -4.13 119.36 110.75 2kix n ILE 31 Ca 0.05 -3.31 0.00 0.00 -0.27 0.00 0.00 62.75 59.22 2kix n ILE 31 Cb 0.09 -1.73 0.00 0.00 -1.74 0.00 0.00 39.64 36.26 2kix n ILE 31 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 2kix n LYS 32 N 1.15 0.00 0.00 6.28 4.81 -0.94 -4.98 118.16 124.47 2kix n LYS 32 Ca 0.52 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 58.08 2kix n LYS 32 Cb 0.48 0.00 0.69 0.00 0.02 0.00 0.00 35.03 36.22 2kix n LYS 32 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11