#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 -0.03 -0.89 0.00 -1.26 -4.57 117.00 110.25 2kix n LEU 2 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 56.01 55.90 2kix n LEU 2 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 43.42 43.36 2kix n LEU 2 CO 0.00 0.00 0.83 -0.08 0.00 0.00 0.00 177.39 178.14 2kix h GLU 3 N 0.00 0.20 0.00 1.96 4.57 -2.06 -1.77 114.58 117.48 2kix h GLU 3 Ca 0.00 -0.04 -0.32 0.00 -1.18 0.00 0.00 59.36 57.82 2kix h GLU 3 Cb 0.00 -0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 28.50 2kix h GLU 3 CO 0.00 0.31 -2.09 -0.35 -1.18 0.00 0.00 179.01 175.70 2kix n PRO 4 N -4.88 0.66 0.04 0.92 -0.04 -1.26 -4.50 135.00 125.94 2kix n PRO 4 Ca -0.05 0.10 -0.22 0.00 -0.04 0.00 0.00 63.50 63.30 2kix n PRO 4 Cb 0.12 -1.63 -0.14 0.00 -0.04 0.00 0.00 33.50 31.81 2kix n PRO 4 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 2kix h PHE 5 N 0.00 0.57 -0.24 0.54 3.04 -1.86 -3.34 116.94 115.65 2kix h PHE 5 Ca -0.42 -0.41 0.03 0.00 3.98 0.00 0.00 57.97 61.15 2kix h PHE 5 Cb 2.09 -0.02 -0.05 0.00 2.56 0.00 0.00 35.95 40.53 2kix h PHE 5 CO 0.00 1.51 -0.33 0.37 -2.02 0.00 0.00 178.31 177.84 2kix h GLN 6 N -0.21 -0.24 -0.14 1.11 -0.00 -1.55 0.44 115.11 114.52 2kix h GLN 6 Ca -0.27 0.02 0.04 0.00 -0.00 0.00 0.00 58.65 58.44 2kix h GLN 6 Cb 1.83 0.05 -0.01 0.00 0.00 0.00 0.00 27.48 29.35 2kix h GLN 6 CO 0.12 -0.16 0.48 0.97 0.00 0.00 0.00 178.83 180.24 2kix h ILE 7 N -0.25 0.09 0.11 2.39 2.10 -1.75 -0.64 117.51 119.56 2kix h ILE 7 Ca 0.04 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 65.98 2kix h ILE 7 Cb 0.36 0.55 0.00 0.00 -1.09 0.00 0.00 36.82 36.64 2kix h ILE 7 CO -0.35 0.00 -0.05 0.25 -1.08 0.00 0.00 178.15 176.91 2kix h LEU 8 N 0.00 -0.13 -1.22 2.19 6.46 -0.24 -2.81 115.31 119.55 2kix h LEU 8 Ca 0.07 -0.43 0.16 0.00 -0.12 0.00 0.00 57.88 57.56 2kix h LEU 8 Cb 1.02 0.03 -0.08 0.00 -0.73 0.00 0.00 40.66 40.90 2kix h LEU 8 CO -0.00 0.43 0.60 0.77 -0.62 0.00 0.00 178.44 179.61 2kix h SER 9 N -0.76 0.68 0.28 1.25 4.64 -0.73 -1.28 113.55 117.64 2kix h SER 9 Ca -0.02 0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2kix h SER 9 Cb 0.55 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 2kix h SER 9 CO 0.03 0.31 -0.21 0.40 -0.87 0.00 0.00 176.83 176.49 2kix h ILE 10 N 0.70 0.55 -0.84 0.95 1.08 -1.42 -1.57 117.51 116.96 2kix h ILE 10 Ca 0.49 0.00 0.21 0.00 -0.39 0.00 0.00 64.86 65.17 2kix h ILE 10 Cb 0.81 0.55 -0.15 0.00 -3.07 0.00 0.00 36.82 34.97 2kix h ILE 10 CO -0.25 0.00 0.04 0.28 -0.69 0.00 0.00 178.15 177.53 2kix h SER 11 N -0.49 -0.35 -0.74 1.72 0.02 -0.97 0.42 113.55 113.15 2kix h SER 11 Ca -0.02 0.22 -0.01 0.00 -0.84 0.00 0.00 61.79 61.14 2kix h SER 11 Cb 0.43 0.38 -0.04 0.00 0.14 0.00 0.00 62.40 63.31 2kix h SER 11 CO -0.01 -0.22 0.44 -1.28 -1.14 0.00 0.00 176.83 174.62 2kix h SER 12 N 0.09 0.91 0.05 3.07 0.87 -1.11 0.19 113.55 117.62 2kix h SER 12 Ca 0.48 -0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 60.96 2kix h SER 12 Cb 0.90 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.63 2kix h SER 12 CO -0.74 0.72 -0.02 0.15 -0.53 0.00 0.00 176.83 176.41 2kix h PHE 13 N 1.02 -0.06 -0.88 2.24 3.57 0.68 0.41 116.94 123.92 2kix h PHE 13 Ca 0.27 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.77 2kix h PHE 13 Cb -0.01 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.70 2kix h PHE 13 CO -0.01 0.09 0.58 0.82 -2.23 0.00 0.00 178.31 177.57 2kix h ILE 14 N -0.20 1.22 -0.04 1.41 2.04 -0.68 -2.71 117.51 118.56 2kix h ILE 14 Ca -0.01 -0.41 -0.03 0.00 1.00 0.00 0.00 64.86 65.42 2kix h ILE 14 Cb 0.18 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.18 2kix h ILE 14 CO 0.01 0.22 -0.08 0.25 0.00 0.00 0.00 178.15 178.55 2kix h LEU 15 N 1.19 0.14 -0.82 1.44 6.46 -0.64 -2.52 115.31 120.56 2kix h LEU 15 Ca 0.32 -0.57 0.20 0.00 -0.12 0.00 0.00 57.88 57.71 2kix h LEU 15 Cb -0.14 -0.04 -0.14 0.00 -0.73 0.00 0.00 40.66 39.62 2kix h LEU 15 CO -0.07 0.68 0.11 0.28 -0.62 0.00 0.00 178.44 178.82 2kix h SER 16 N -0.40 -0.19 -0.21 1.25 0.02 0.08 0.21 113.55 114.30 2kix h SER 16 Ca 0.00 0.20 -0.08 0.00 -0.84 0.00 0.00 61.79 61.07 2kix h SER 16 Cb 0.66 0.31 -0.00 0.00 0.14 0.00 0.00 62.40 63.51 2kix h SER 16 CO 0.02 -0.17 -0.19 0.00 -1.14 0.00 0.00 176.83 175.35 2kix h ALA 17 N 1.75 0.31 -0.39 3.77 0.00 -1.50 -0.31 119.26 122.88 2kix h ALA 17 Ca 0.48 -0.35 0.07 0.00 0.00 0.00 0.00 54.91 55.11 2kix h ALA 17 Cb 0.90 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.56 2kix h ALA 17 CO -0.67 0.23 0.03 1.25 0.00 0.00 0.00 179.25 180.10 2kix h LEU 18 N 0.18 -0.10 -0.97 0.00 5.85 -0.41 -0.13 115.31 119.73 2kix h LEU 18 Ca 0.04 0.08 -0.10 0.00 0.84 0.00 0.00 57.88 58.74 2kix h LEU 18 Cb 0.73 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 2kix h LEU 18 CO 0.05 -0.02 -0.32 -0.74 -0.34 0.00 0.00 178.44 177.07 2kix h HIS 19 N 0.14 0.40 0.17 1.25 2.76 -0.67 0.18 115.15 119.38 2kix h HIS 19 Ca 0.19 -0.09 -0.01 0.00 -2.20 0.00 0.00 60.37 58.26 2kix h HIS 19 Cb 0.26 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.13 2kix h HIS 19 CO -0.24 0.64 -0.08 0.35 -1.30 0.00 0.00 177.93 177.29 2kix h PHE 20 N 0.30 -0.21 -0.01 5.26 3.57 0.68 0.41 116.94 126.94 2kix h PHE 20 Ca 0.04 -0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.40 2kix h PHE 20 Cb 0.72 0.07 0.01 0.00 2.79 0.00 0.00 35.95 39.54 2kix h PHE 20 CO 0.02 -0.13 -0.51 0.82 -2.23 0.00 0.00 178.31 176.27 2kix h ILE 21 N -0.23 1.45 -0.84 1.41 2.04 -1.10 -2.63 117.51 117.61 2kix h ILE 21 Ca -0.02 -2.03 0.04 0.00 1.00 0.00 0.00 64.86 63.85 2kix h ILE 21 Cb 0.18 2.61 -0.05 0.00 -0.74 0.00 0.00 36.82 38.81 2kix h ILE 21 CO 0.04 0.58 0.54 0.00 0.00 0.00 0.00 178.15 179.31 2kix h ALA 22 N 0.32 1.12 -0.46 1.87 0.00 -0.61 0.01 119.26 121.52 2kix h ALA 22 Ca -0.06 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 2kix h ALA 22 Cb 1.23 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 2kix h ALA 22 CO 0.10 0.35 0.10 2.35 0.00 0.00 0.00 179.25 182.15 2kix h TRP 23 N 1.03 0.79 -0.28 0.00 2.91 -0.22 0.23 115.95 120.41 2kix h TRP 23 Ca 0.34 -0.10 -0.07 0.00 1.13 0.00 0.00 58.89 60.20 2kix h TRP 23 Cb 0.04 -0.22 -0.02 0.00 -0.51 0.00 0.00 29.16 28.46 2kix h TRP 23 CO -0.03 0.72 -0.11 1.15 -1.03 0.00 0.00 178.44 179.15 2kix h THR 24 N 0.62 1.22 0.01 2.65 2.02 -0.99 0.16 112.91 118.60 2kix h THR 24 Ca 0.14 -0.97 -0.00 0.00 0.77 0.00 0.00 66.41 66.35 2kix h THR 24 Cb 0.34 1.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 2kix h THR 24 CO 0.00 0.32 -0.00 0.40 0.37 0.00 0.00 175.52 176.61 2kix h ILE 25 N 0.44 0.39 -0.41 3.11 2.04 -0.69 -1.71 117.51 120.67 2kix h ILE 25 Ca 0.08 -1.28 -0.01 0.00 1.00 0.00 0.00 64.86 64.65 2kix h ILE 25 Cb 0.46 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 2kix h ILE 25 CO 0.03 0.13 0.23 1.23 0.00 0.00 0.00 178.15 179.77 2kix h GLY 26 N -1.00 0.60 0.21 5.37 0.00 -0.59 0.59 103.07 108.24 2kix h GLY 26 Ca -0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 2kix h GLY 26 CO 0.00 0.24 -0.04 0.84 0.00 0.00 0.00 176.54 177.58 2kix h HIS 27 N 0.57 0.04 -0.61 5.60 -0.00 -0.80 -2.83 115.15 117.11 2kix h HIS 27 Ca 0.15 -0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 60.44 2kix h HIS 27 Cb 0.01 -0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 27.39 2kix h HIS 27 CO 0.00 0.85 0.15 1.25 -0.00 0.00 0.00 177.93 180.18 2kix h LEU 28 N -0.79 0.93 -1.23 0.26 6.46 -1.13 -2.53 115.31 117.29 2kix h LEU 28 Ca -0.01 -0.23 0.05 0.00 -0.12 0.00 0.00 57.88 57.57 2kix h LEU 28 Cb 0.86 -0.25 -0.05 0.00 -0.73 0.00 0.00 40.66 40.50 2kix h LEU 28 CO 0.01 0.92 0.54 -1.13 -0.62 0.00 0.00 178.44 178.17 2kix h ASN 29 N 0.90 0.84 -0.22 1.25 -0.73 0.10 -2.14 115.58 115.58 2kix h ASN 29 Ca 0.19 -0.00 0.04 0.00 1.87 0.00 0.00 56.30 58.40 2kix h ASN 29 Cb 0.36 -0.19 -0.04 0.00 0.27 0.00 0.00 38.32 38.72 2kix h ASN 29 CO 0.00 0.56 -0.02 -0.61 -0.37 0.00 0.00 177.43 176.99 2kix h GLN 30 N 0.97 0.04 -2.37 6.67 4.15 -1.18 -2.36 115.11 121.02 2kix h GLN 30 Ca 0.34 -0.00 -0.65 0.00 0.77 0.00 0.00 58.65 59.11 2kix h GLN 30 Cb 0.13 -0.01 -0.15 0.00 0.21 0.00 0.00 27.48 27.66 2kix h GLN 30 CO -0.11 0.02 1.62 1.51 -1.93 0.00 0.00 178.83 179.94 2kix n ILE 31 N -5.17 4.56 0.03 2.39 3.06 -0.81 -4.35 119.36 119.07 2kix n ILE 31 Ca -0.02 -3.89 0.00 0.00 -2.50 0.00 0.00 62.75 56.34 2kix n ILE 31 Cb 0.12 -1.87 0.00 0.00 0.54 0.00 0.00 39.64 38.43 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 1.33 0.00 -0.43 9.51 4.81 -0.92 -4.99 118.16 127.46 2kix n LYS 32 Ca 0.57 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 58.01 2kix n LYS 32 Cb 0.36 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.41 2kix n LYS 32 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44