#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 0.23 4.03 4.77 -1.26 -4.16 117.00 120.61 2kix n LEU 2 Ca 0.00 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.83 2kix n LEU 2 Cb 0.00 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 2kix n LEU 2 CO 0.00 0.00 0.72 -0.33 -1.33 0.00 0.00 177.39 176.45 2kix h GLU 3 N 0.00 -0.51 -0.00 3.23 3.07 -2.03 -2.96 114.58 115.37 2kix h GLU 3 Ca 0.00 0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 2kix h GLU 3 Cb 0.00 0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.03 2kix h GLU 3 CO 0.00 -0.32 -0.78 -0.35 -1.40 0.00 0.00 179.01 176.16 2kix n PRO 4 N -5.30 0.85 -0.05 2.33 -0.04 -1.26 -4.48 135.00 127.05 2kix n PRO 4 Ca -0.11 -0.26 -0.05 0.00 -0.04 0.00 0.00 63.50 63.05 2kix n PRO 4 Cb 0.24 -1.41 -0.02 0.00 -0.04 0.00 0.00 33.50 32.27 2kix n PRO 4 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2kix n PHE 5 N -1.07 0.00 -0.07 0.54 7.35 -1.24 -4.20 117.46 118.78 2kix n PHE 5 Ca 0.05 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.63 2kix n PHE 5 Cb 0.33 -0.26 -0.07 0.00 0.35 0.00 0.00 39.48 39.83 2kix n PHE 5 CO 0.00 0.00 0.00 0.37 -0.76 0.00 0.00 176.76 176.37 2kix h GLN 6 N -0.52 -0.33 -0.21 -4.13 5.75 -1.81 0.70 115.11 114.57 2kix h GLN 6 Ca 0.00 0.02 0.06 0.00 -0.15 0.00 0.00 58.65 58.58 2kix h GLN 6 Cb 0.52 0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.13 2kix h GLN 6 CO 0.00 -0.22 0.66 0.97 -2.65 0.00 0.00 178.83 177.59 2kix h ILE 7 N -0.34 0.07 0.18 2.39 2.10 -1.78 0.10 117.51 120.23 2kix h ILE 7 Ca 0.04 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 65.97 2kix h ILE 7 Cb 0.46 0.39 0.00 0.00 -1.09 0.00 0.00 36.82 36.58 2kix h ILE 7 CO -0.39 0.00 -0.09 0.25 -1.08 0.00 0.00 178.15 176.84 2kix h LEU 8 N 0.00 -0.20 -1.55 2.19 6.46 0.23 -2.83 115.31 119.61 2kix h LEU 8 Ca 0.10 -0.32 0.23 0.00 -0.12 0.00 0.00 57.88 57.76 2kix h LEU 8 Cb 1.41 0.05 -0.07 0.00 -0.73 0.00 0.00 40.66 41.33 2kix h LEU 8 CO -0.00 0.34 0.63 0.77 -0.62 0.00 0.00 178.44 179.56 2kix h SER 9 N -0.88 0.36 0.88 1.25 4.64 -0.44 -1.67 113.55 117.69 2kix h SER 9 Ca -0.02 0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 61.30 2kix h SER 9 Cb 0.51 -0.02 0.01 0.00 -0.31 0.00 0.00 62.40 62.59 2kix h SER 9 CO 0.04 0.12 -0.42 0.40 -0.87 0.00 0.00 176.83 176.10 2kix h ILE 10 N 0.35 0.02 -1.30 0.95 1.08 -1.40 -2.21 117.51 115.00 2kix h ILE 10 Ca 0.49 -0.12 0.39 0.00 -0.39 0.00 0.00 64.86 65.23 2kix h ILE 10 Cb 1.33 0.02 -0.10 0.00 -3.07 0.00 0.00 36.82 35.00 2kix h ILE 10 CO -0.18 0.00 0.87 0.77 -0.69 0.00 0.00 178.15 178.92 2kix h SER 11 N -1.31 0.23 -0.33 1.72 4.64 -1.07 0.40 113.55 117.84 2kix h SER 11 Ca -0.12 0.09 -0.11 0.00 -0.47 0.00 0.00 61.79 61.18 2kix h SER 11 Cb 0.91 0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.06 2kix h SER 11 CO 0.20 -0.07 -0.20 0.28 -0.87 0.00 0.00 176.83 176.17 2kix h SER 12 N 0.14 0.76 0.22 4.97 0.02 -0.99 -2.11 113.55 116.56 2kix h SER 12 Ca 0.74 -0.42 -0.01 0.00 -0.84 0.00 0.00 61.79 61.25 2kix h SER 12 Cb 2.38 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 64.72 2kix h SER 12 CO -0.29 1.02 -0.11 0.15 -1.14 0.00 0.00 176.83 176.46 2kix h PHE 13 N 0.50 -0.28 -0.95 3.45 3.57 0.35 0.34 116.94 123.93 2kix h PHE 13 Ca 0.07 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.65 2kix h PHE 13 Cb 0.75 0.09 -0.07 0.00 2.79 0.00 0.00 35.95 39.51 2kix h PHE 13 CO 0.06 -0.05 0.61 0.82 -2.23 0.00 0.00 178.31 177.53 2kix h ILE 14 N -0.47 1.01 -0.11 1.41 2.04 -1.42 -2.12 117.51 117.85 2kix h ILE 14 Ca -0.03 -0.35 -0.08 0.00 1.00 0.00 0.00 64.86 65.40 2kix h ILE 14 Cb 0.35 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.34 2kix h ILE 14 CO 0.05 0.18 -0.24 0.25 0.00 0.00 0.00 178.15 178.39 2kix h LEU 15 N 1.01 0.40 -0.65 1.44 6.46 -1.11 -2.42 115.31 120.44 2kix h LEU 15 Ca 0.43 -0.58 0.14 0.00 -0.12 0.00 0.00 57.88 57.75 2kix h LEU 15 Cb 0.32 -0.12 -0.11 0.00 -0.73 0.00 0.00 40.66 40.03 2kix h LEU 15 CO -0.19 0.90 0.01 0.77 -0.62 0.00 0.00 178.44 179.31 2kix h SER 16 N -0.09 -0.28 -0.01 1.25 4.64 0.33 0.39 113.55 119.78 2kix h SER 16 Ca -0.00 0.16 -0.00 0.00 -0.47 0.00 0.00 61.79 61.48 2kix h SER 16 Cb 0.84 0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2kix h SER 16 CO 0.05 -0.12 -0.01 0.00 -0.87 0.00 0.00 176.83 175.88 2kix h ALA 17 N 1.59 0.02 -0.76 5.18 0.00 -1.47 -0.68 119.26 123.14 2kix h ALA 17 Ca 0.34 -0.24 0.11 0.00 0.00 0.00 0.00 54.91 55.12 2kix h ALA 17 Cb 0.57 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.27 2kix h ALA 17 CO -0.56 -0.23 0.38 1.25 0.00 0.00 0.00 179.25 180.09 2kix h LEU 18 N -0.43 0.48 -0.87 0.00 5.85 -0.83 0.67 115.31 120.18 2kix h LEU 18 Ca 0.00 0.07 -0.12 0.00 0.84 0.00 0.00 57.88 58.68 2kix h LEU 18 Cb 0.49 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 2kix h LEU 18 CO 0.00 0.25 -0.45 -0.74 -0.34 0.00 0.00 178.44 177.17 2kix h HIS 19 N 0.61 0.31 0.09 1.25 2.76 -0.19 0.09 115.15 120.07 2kix h HIS 19 Ca 0.39 -0.09 -0.00 0.00 -2.20 0.00 0.00 60.37 58.47 2kix h HIS 19 Cb 0.46 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 29.36 2kix h HIS 19 CO -0.11 0.66 -0.04 0.35 -1.30 0.00 0.00 177.93 177.49 2kix h PHE 20 N 0.21 -0.11 -0.01 5.26 3.04 0.69 0.40 116.94 126.42 2kix h PHE 20 Ca 0.02 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.96 2kix h PHE 20 Cb 0.87 0.04 0.00 0.00 2.56 0.00 0.00 35.95 39.42 2kix h PHE 20 CO 0.02 0.08 -0.01 0.82 -2.02 0.00 0.00 178.31 177.20 2kix h ILE 21 N -0.29 1.44 -0.84 1.41 2.04 -1.20 -0.85 117.51 119.23 2kix h ILE 21 Ca -0.01 -1.32 0.12 0.00 1.00 0.00 0.00 64.86 64.65 2kix h ILE 21 Cb 0.25 2.33 -0.08 0.00 -0.74 0.00 0.00 36.82 38.57 2kix h ILE 21 CO 0.02 0.35 0.45 0.00 0.00 0.00 0.00 178.15 178.97 2kix h ALA 22 N 0.45 1.24 -0.25 1.87 0.00 -1.00 0.24 119.26 121.81 2kix h ALA 22 Ca 0.00 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 2kix h ALA 22 Cb 0.57 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2kix h ALA 22 CO 0.00 -0.01 -0.37 2.35 0.00 0.00 0.00 179.25 181.23 2kix h TRP 23 N 0.70 0.84 -0.43 0.00 2.91 -0.90 0.11 115.95 119.18 2kix h TRP 23 Ca 0.44 -0.28 -0.05 0.00 1.13 0.00 0.00 58.89 60.12 2kix h TRP 23 Cb 0.53 -0.17 -0.02 0.00 -0.51 0.00 0.00 29.16 28.99 2kix h TRP 23 CO -0.08 1.04 0.06 1.15 -1.03 0.00 0.00 178.44 179.58 2kix h THR 24 N 0.40 1.21 0.00 2.65 2.02 0.02 0.13 112.91 119.34 2kix h THR 24 Ca 0.02 -0.80 -0.01 0.00 0.77 0.00 0.00 66.41 66.40 2kix h THR 24 Cb 0.95 0.82 -0.00 0.00 -1.74 0.00 0.00 68.15 68.18 2kix h THR 24 CO 0.08 0.28 -0.09 0.40 0.37 0.00 0.00 175.52 176.57 2kix h ILE 25 N 0.64 0.52 -0.59 3.11 2.04 -0.50 -1.63 117.51 121.11 2kix h ILE 25 Ca 0.14 -1.41 0.04 0.00 1.00 0.00 0.00 64.86 64.63 2kix h ILE 25 Cb 0.31 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 2kix h ILE 25 CO 0.01 0.18 0.39 1.23 0.00 0.00 0.00 178.15 179.95 2kix h GLY 26 N -1.00 0.76 0.14 5.37 0.00 -1.02 0.92 103.07 108.24 2kix h GLY 26 Ca -0.01 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 2kix h GLY 26 CO -0.01 0.21 -0.03 0.84 0.00 0.00 0.00 176.54 177.55 2kix h HIS 27 N 0.65 -0.08 -0.08 5.60 -0.00 -0.87 -2.65 115.15 117.72 2kix h HIS 27 Ca 0.24 -0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.62 2kix h HIS 27 Cb 0.15 0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 27.58 2kix h HIS 27 CO -0.00 0.40 0.03 1.25 -0.00 0.00 0.00 177.93 179.61 2kix h LEU 28 N -0.95 0.04 -1.41 0.26 6.46 -1.13 -1.72 115.31 116.85 2kix h LEU 28 Ca -0.01 0.01 0.15 0.00 -0.12 0.00 0.00 57.88 57.90 2kix h LEU 28 Cb 0.52 -0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 40.39 2kix h LEU 28 CO 0.02 0.04 0.55 -1.13 -0.62 0.00 0.00 178.44 177.29 2kix h ASN 29 N 0.07 0.54 0.50 1.25 -0.73 0.76 -2.07 115.58 115.90 2kix h ASN 29 Ca 0.03 0.03 -0.02 0.00 1.87 0.00 0.00 56.30 58.21 2kix h ASN 29 Cb 0.01 -0.07 0.00 0.00 0.27 0.00 0.00 38.32 38.53 2kix h ASN 29 CO -0.03 0.27 -0.24 -0.61 -0.37 0.00 0.00 177.43 176.45 2kix h GLN 30 N 0.57 -0.65 -2.00 6.67 5.75 -0.94 -2.76 115.11 121.75 2kix h GLN 30 Ca 0.42 0.04 -0.19 0.00 -0.15 0.00 0.00 58.65 58.77 2kix h GLN 30 Cb 0.79 0.15 -0.07 0.00 1.07 0.00 0.00 27.48 29.41 2kix h GLN 30 CO -0.17 -0.40 -0.30 1.51 -2.65 0.00 0.00 178.83 176.82 2kix n ILE 31 N -5.35 2.92 -0.11 2.39 3.06 -0.79 -4.03 119.36 117.46 2kix n ILE 31 Ca -0.12 -1.50 -0.22 0.00 -2.50 0.00 0.00 62.75 58.41 2kix n ILE 31 Cb 0.30 -1.92 -0.07 0.00 0.54 0.00 0.00 39.64 38.48 2kix n ILE 31 CO 0.00 0.00 0.00 1.17 -2.50 0.00 0.00 176.55 175.22 2kix n LYS 32 N 2.29 0.48 -0.30 9.51 4.81 -1.04 -5.00 118.16 128.90 2kix n LYS 32 Ca 0.39 0.21 0.00 0.00 -0.87 0.00 0.00 58.31 58.04 2kix n LYS 32 Cb 0.86 -1.30 0.00 0.00 0.02 0.00 0.00 35.03 34.60 2kix n LYS 32 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44