#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 3.17 0.00 -1.26 -4.54 117.00 114.34 2kix n LEU 2 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 56.01 55.87 2kix n LEU 2 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 43.42 43.32 2kix n LEU 2 CO 0.00 0.00 0.50 -0.08 0.00 0.00 0.00 177.39 177.81 2kix h GLU 3 N 0.00 0.18 0.00 1.96 4.81 -2.03 -3.04 114.58 116.46 2kix h GLU 3 Ca 0.00 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 2kix h GLU 3 Cb 0.00 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.41 2kix h GLU 3 CO 0.00 0.78 -1.44 -0.35 -0.73 0.00 0.00 179.01 177.27 2kix n PRO 4 N -4.60 0.40 -0.06 0.92 -0.04 -1.26 -4.28 135.00 126.08 2kix n PRO 4 Ca -0.09 -0.08 -0.06 0.00 -0.04 0.00 0.00 63.50 63.23 2kix n PRO 4 Cb 0.41 -1.55 -0.02 0.00 -0.04 0.00 0.00 33.50 32.30 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 -2.02 0.00 0.11 0.54 7.35 -1.26 -4.22 117.46 117.96 2kix n PHE 5 Ca -0.00 0.00 0.20 0.00 -0.76 0.00 0.00 57.45 56.88 2kix n PHE 5 Cb 0.48 -0.34 0.76 0.00 0.35 0.00 0.00 39.48 40.73 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 -0.68 0.00 0.00 -4.13 4.15 -1.81 1.01 115.11 113.65 2kix h GLN 6 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 2kix h GLN 6 Cb 0.68 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.37 2kix h GLN 6 CO 0.00 0.00 -0.04 0.97 -1.93 0.00 0.00 178.83 177.83 2kix h ILE 7 N 0.00 0.08 0.06 2.39 2.10 -1.74 -2.69 117.51 117.72 2kix h ILE 7 Ca 0.17 -0.70 -0.10 0.00 1.08 0.00 0.00 64.86 65.32 2kix h ILE 7 Cb 0.94 1.64 0.01 0.00 -1.09 0.00 0.00 36.82 38.32 2kix h ILE 7 CO -0.00 0.03 -0.42 0.25 -1.08 0.00 0.00 178.15 176.93 2kix h LEU 8 N 0.00 0.26 -1.21 2.19 6.46 0.89 -2.66 115.31 121.24 2kix h LEU 8 Ca -0.00 -0.94 0.07 0.00 -0.12 0.00 0.00 57.88 56.89 2kix h LEU 8 Cb 0.64 -0.08 -0.06 0.00 -0.73 0.00 0.00 40.66 40.43 2kix h LEU 8 CO 0.00 1.18 0.56 0.77 -0.62 0.00 0.00 178.44 180.33 2kix h SER 9 N -0.62 0.83 0.13 1.25 4.64 -1.39 0.80 113.55 119.18 2kix h SER 9 Ca -0.07 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.25 2kix h SER 9 Cb 1.30 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2kix h SER 9 CO 0.08 0.53 -0.06 0.40 -0.87 0.00 0.00 176.83 176.91 2kix h ILE 10 N 0.94 0.00 -0.91 0.95 2.04 -1.54 -1.53 117.51 117.45 2kix h ILE 10 Ca 0.38 -0.15 0.26 0.00 1.00 0.00 0.00 64.86 66.34 2kix h ILE 10 Cb 0.25 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.18 2kix h ILE 10 CO -0.14 0.00 0.28 0.28 0.00 0.00 0.00 178.15 178.57 2kix h SER 11 N -0.32 0.06 -0.56 1.72 0.02 -1.44 0.40 113.55 113.42 2kix h SER 11 Ca -0.02 0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 61.13 2kix h SER 11 Cb 0.13 0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.91 2kix h SER 11 CO 0.03 -0.18 0.32 -1.28 -1.14 0.00 0.00 176.83 174.58 2kix h SER 12 N 0.20 0.70 0.01 3.07 0.87 -0.89 0.00 113.55 117.52 2kix h SER 12 Ca 0.60 -0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 61.07 2kix h SER 12 Cb 1.25 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 63.03 2kix h SER 12 CO -0.67 0.58 -0.01 0.15 -0.53 0.00 0.00 176.83 176.35 2kix h PHE 13 N 0.76 -0.02 -0.46 2.24 3.57 0.82 0.38 116.94 124.22 2kix h PHE 13 Ca 0.20 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.70 2kix h PHE 13 Cb 0.03 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 2kix h PHE 13 CO -0.02 0.04 0.28 0.82 -2.23 0.00 0.00 178.31 177.21 2kix h ILE 14 N -0.07 1.13 -0.07 1.41 2.04 -0.93 -2.47 117.51 118.55 2kix h ILE 14 Ca -0.00 -0.29 -0.14 0.00 1.00 0.00 0.00 64.86 65.43 2kix h ILE 14 Cb 0.07 0.47 0.01 0.00 -0.74 0.00 0.00 36.82 36.63 2kix h ILE 14 CO 0.00 0.14 -0.51 0.25 0.00 0.00 0.00 178.15 178.03 2kix h LEU 15 N 0.63 0.58 -0.40 1.44 6.46 -0.40 -2.52 115.31 121.10 2kix h LEU 15 Ca 0.17 -0.67 0.08 0.00 -0.12 0.00 0.00 57.88 57.34 2kix h LEU 15 Cb -0.03 -0.17 -0.09 0.00 -0.73 0.00 0.00 40.66 39.64 2kix h LEU 15 CO -0.03 1.16 -0.19 0.77 -0.62 0.00 0.00 178.44 179.53 2kix h SER 16 N 0.04 -0.65 -0.55 1.25 4.64 0.19 -0.69 113.55 117.78 2kix h SER 16 Ca -0.04 0.15 -0.06 0.00 -0.47 0.00 0.00 61.79 61.37 2kix h SER 16 Cb 1.17 0.35 -0.02 0.00 -0.31 0.00 0.00 62.40 63.60 2kix h SER 16 CO 0.10 -0.22 0.09 0.00 -0.87 0.00 0.00 176.83 175.93 2kix h ALA 17 N 1.17 0.72 -0.73 5.18 0.00 -1.55 -2.56 119.26 121.50 2kix h ALA 17 Ca 0.20 -0.24 0.14 0.00 0.00 0.00 0.00 54.91 55.01 2kix h ALA 17 Cb 0.42 -0.21 -0.10 0.00 0.00 0.00 0.00 17.79 17.90 2kix h ALA 17 CO -0.48 0.46 0.25 1.25 0.00 0.00 0.00 179.25 180.73 2kix h LEU 18 N 0.79 0.17 -0.90 0.00 5.85 -0.72 0.20 115.31 120.71 2kix h LEU 18 Ca 0.17 0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.94 2kix h LEU 18 Cb 0.40 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 2kix h LEU 18 CO 0.01 0.05 0.13 -0.74 -0.34 0.00 0.00 178.44 177.56 2kix h HIS 19 N 0.37 0.98 0.19 1.25 2.76 -0.89 0.40 115.15 120.22 2kix h HIS 19 Ca 0.40 -0.11 -0.00 0.00 -2.20 0.00 0.00 60.37 58.47 2kix h HIS 19 Cb 0.63 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 29.30 2kix h HIS 19 CO -0.20 0.82 -0.15 0.35 -1.30 0.00 0.00 177.93 177.45 2kix h PHE 20 N 0.90 -0.39 -0.16 5.26 3.57 -0.25 0.45 116.94 126.32 2kix h PHE 20 Ca 0.19 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.60 2kix h PHE 20 Cb 0.34 0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.23 2kix h PHE 20 CO 0.02 -0.23 -0.27 0.82 -2.23 0.00 0.00 178.31 176.42 2kix h ILE 21 N -0.35 1.35 -0.57 1.41 2.04 -1.13 -2.17 117.51 118.09 2kix h ILE 21 Ca -0.01 -1.50 0.05 0.00 1.00 0.00 0.00 64.86 64.41 2kix h ILE 21 Cb 0.31 1.92 -0.03 0.00 -0.74 0.00 0.00 36.82 38.28 2kix h ILE 21 CO -0.01 0.45 0.38 0.00 0.00 0.00 0.00 178.15 178.97 2kix h ALA 22 N 0.58 1.78 -0.18 1.87 0.00 -0.08 -0.03 119.26 123.22 2kix h ALA 22 Ca 0.01 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 2kix h ALA 22 Cb 0.85 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2kix h ALA 22 CO 0.06 0.13 -0.39 2.35 0.00 0.00 0.00 179.25 181.40 2kix h TRP 23 N 0.59 0.74 -0.32 0.00 2.91 0.03 0.14 115.95 120.05 2kix h TRP 23 Ca 0.24 -0.28 -0.08 0.00 1.13 0.00 0.00 58.89 59.90 2kix h TRP 23 Cb 0.20 -0.13 -0.02 0.00 -0.51 0.00 0.00 29.16 28.70 2kix h TRP 23 CO -0.00 1.03 -0.15 1.15 -1.03 0.00 0.00 178.44 179.44 2kix h THR 24 N 0.24 1.24 0.03 2.65 2.02 -0.69 0.15 112.91 118.56 2kix h THR 24 Ca 0.00 -1.11 -0.00 0.00 0.77 0.00 0.00 66.41 66.07 2kix h THR 24 Cb 1.00 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 68.57 2kix h THR 24 CO 0.09 0.36 -0.02 0.40 0.37 0.00 0.00 175.52 176.73 2kix h ILE 25 N 0.51 0.79 -0.42 3.11 2.04 -1.00 -1.29 117.51 121.24 2kix h ILE 25 Ca 0.09 -1.51 0.00 0.00 1.00 0.00 0.00 64.86 64.44 2kix h ILE 25 Cb 0.55 1.46 -0.02 0.00 -0.74 0.00 0.00 36.82 38.07 2kix h ILE 25 CO 0.04 0.26 0.27 1.23 0.00 0.00 0.00 178.15 179.94 2kix h GLY 26 N -0.99 0.60 0.27 5.37 0.00 -1.01 0.78 103.07 108.10 2kix h GLY 26 Ca -0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 2kix h GLY 26 CO 0.01 0.23 -0.03 0.84 0.00 0.00 0.00 176.54 177.58 2kix h HIS 27 N 0.58 0.04 -0.57 5.60 -0.00 -0.79 -2.56 115.15 117.44 2kix h HIS 27 Ca 0.15 -0.02 -0.07 0.00 -0.00 0.00 0.00 60.37 60.44 2kix h HIS 27 Cb -0.04 -0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.34 2kix h HIS 27 CO 0.00 0.78 0.09 1.25 -0.00 0.00 0.00 177.93 180.05 2kix h LEU 28 N -0.72 0.91 -1.36 0.26 6.46 -0.98 -2.56 115.31 117.32 2kix h LEU 28 Ca -0.00 -0.26 0.01 0.00 -0.12 0.00 0.00 57.88 57.51 2kix h LEU 28 Cb 0.79 -0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 40.44 2kix h LEU 28 CO 0.01 0.94 0.44 -1.13 -0.62 0.00 0.00 178.44 178.08 2kix h ASN 29 N 0.85 0.74 -0.23 1.25 -0.73 0.51 -2.32 115.58 115.65 2kix h ASN 29 Ca 0.17 -0.02 0.03 0.00 1.87 0.00 0.00 56.30 58.35 2kix h ASN 29 Cb 0.42 -0.18 -0.03 0.00 0.27 0.00 0.00 38.32 38.80 2kix h ASN 29 CO 0.01 0.53 0.07 -0.61 -0.37 0.00 0.00 177.43 177.06 2kix h GLN 30 N 0.87 0.17 -2.30 6.67 5.75 -1.03 -1.53 115.11 123.71 2kix h GLN 30 Ca 0.25 -0.01 -0.63 0.00 -0.15 0.00 0.00 58.65 58.11 2kix h GLN 30 Cb -0.07 -0.04 -0.16 0.00 1.07 0.00 0.00 27.48 28.29 2kix h GLN 30 CO -0.06 0.11 1.37 1.51 -2.65 0.00 0.00 178.83 179.11 2kix n ILE 31 N -5.05 4.33 0.00 2.39 3.06 -0.87 -4.38 119.36 118.83 2kix n ILE 31 Ca -0.02 -3.74 0.00 0.00 -2.50 0.00 0.00 62.75 56.49 2kix n ILE 31 Cb 0.09 -1.81 0.00 0.00 0.54 0.00 0.00 39.64 38.46 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 1.22 0.00 -0.26 9.51 4.81 -0.98 -5.00 118.16 127.46 2kix n LYS 32 Ca 0.55 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.99 2kix n LYS 32 Cb 0.39 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.44 2kix n LYS 32 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44