#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 -0.00 4.03 0.00 -1.26 -4.51 117.00 115.25 2kix n LEU 2 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 56.01 55.84 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 0.28 -0.33 0.00 0.00 0.00 177.39 177.34 2kix h GLU 3 N 0.00 0.47 -0.01 1.96 4.39 -2.03 -2.99 114.58 116.38 2kix h GLU 3 Ca 0.00 -0.46 0.00 0.00 0.34 0.00 0.00 59.36 59.24 2kix h GLU 3 Cb 0.00 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 2kix h GLU 3 CO 0.00 1.10 -0.69 -0.35 -1.16 0.00 0.00 179.01 177.92 2kix n PRO 4 N -4.19 0.97 -0.00 2.33 -0.04 -1.26 -4.35 135.00 128.46 2kix n PRO 4 Ca -0.10 -0.45 -0.02 0.00 -0.04 0.00 0.00 63.50 62.89 2kix n PRO 4 Cb 0.66 -1.41 -0.01 0.00 -0.04 0.00 0.00 33.50 32.70 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 -0.79 0.00 0.17 0.54 7.35 -1.25 -4.41 117.46 119.06 2kix n PHE 5 Ca 0.06 0.00 0.19 0.00 -0.76 0.00 0.00 57.45 56.94 2kix n PHE 5 Cb 0.36 -0.13 0.79 0.00 0.35 0.00 0.00 39.48 40.85 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 -0.27 0.00 0.00 -4.13 4.15 -1.82 0.84 115.11 113.89 2kix h GLN 6 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.38 2kix h GLN 6 Cb 0.27 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.95 2kix h GLN 6 CO 0.00 0.00 -0.20 0.97 -1.93 0.00 0.00 178.83 177.67 2kix h ILE 7 N 0.00 0.45 0.12 2.39 2.10 -1.75 -2.77 117.51 118.05 2kix h ILE 7 Ca 0.13 -1.15 -0.18 0.00 1.08 0.00 0.00 64.86 64.73 2kix h ILE 7 Cb 0.84 1.83 0.02 0.00 -1.09 0.00 0.00 36.82 38.42 2kix h ILE 7 CO -0.00 0.20 -0.79 0.25 -1.08 0.00 0.00 178.15 176.72 2kix h LEU 8 N 0.00 0.49 -0.83 2.19 6.46 0.51 -2.80 115.31 121.33 2kix h LEU 8 Ca -0.00 -0.92 0.05 0.00 -0.12 0.00 0.00 57.88 56.88 2kix h LEU 8 Cb 0.82 -0.16 -0.05 0.00 -0.73 0.00 0.00 40.66 40.53 2kix h LEU 8 CO 0.03 1.37 0.52 0.77 -0.62 0.00 0.00 178.44 180.51 2kix h SER 9 N -0.32 0.84 0.35 1.25 4.64 -1.43 0.16 113.55 119.05 2kix h SER 9 Ca -0.13 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.18 2kix h SER 9 Cb 1.60 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.52 2kix h SER 9 CO 0.15 0.56 -0.17 0.40 -0.87 0.00 0.00 176.83 176.90 2kix h ILE 10 N 0.99 0.00 -0.84 0.95 2.04 -1.56 0.13 117.51 119.22 2kix h ILE 10 Ca 0.35 -0.11 0.21 0.00 1.00 0.00 0.00 64.86 66.31 2kix h ILE 10 Cb 0.09 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.03 2kix h ILE 10 CO -0.14 0.00 0.19 0.28 0.00 0.00 0.00 178.15 178.48 2kix h SER 11 N -0.59 -0.06 0.83 1.72 0.02 -1.43 1.12 113.55 115.16 2kix h SER 11 Ca -0.05 0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 2kix h SER 11 Cb 0.36 0.27 -0.00 0.00 0.14 0.00 0.00 62.40 63.17 2kix h SER 11 CO 0.08 -0.14 -0.05 -1.28 -1.14 0.00 0.00 176.83 174.30 2kix h SER 12 N 0.20 0.00 0.00 3.07 0.87 -0.62 -2.64 113.55 114.43 2kix h SER 12 Ca 0.51 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 61.07 2kix h SER 12 Cb 0.99 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.95 2kix h SER 12 CO -0.64 0.05 -0.04 0.15 -0.53 0.00 0.00 176.83 175.82 2kix h PHE 13 N 0.00 0.00 -0.87 2.24 3.57 0.41 -2.12 116.94 120.17 2kix h PHE 13 Ca -0.00 0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.65 2kix h PHE 13 Cb 0.47 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.15 2kix h PHE 13 CO 0.00 0.16 0.57 0.97 -2.23 0.00 0.00 178.31 177.78 2kix h ILE 14 N -1.00 0.80 -0.10 1.41 2.10 -1.22 0.74 117.51 120.24 2kix h ILE 14 Ca -0.00 -0.21 -0.18 0.00 1.08 0.00 0.00 64.86 65.54 2kix h ILE 14 Cb 0.18 0.14 -0.00 0.00 -1.09 0.00 0.00 36.82 36.05 2kix h ILE 14 CO -0.00 0.11 -0.71 -0.07 -1.08 0.00 0.00 178.15 176.40 2kix h LEU 15 N 0.61 0.53 -0.27 2.19 3.38 -1.58 -2.69 115.31 117.48 2kix h LEU 15 Ca 0.44 -0.34 0.05 0.00 0.09 0.00 0.00 57.88 58.12 2kix h LEU 15 Cb 0.80 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 2kix h LEU 15 CO -0.19 1.08 0.01 0.28 0.09 0.00 0.00 178.44 179.71 2kix h SER 16 N 0.31 -0.09 -0.59 -0.43 0.02 -0.14 -1.61 113.55 111.03 2kix h SER 16 Ca -0.03 0.06 -0.08 0.00 -0.84 0.00 0.00 61.79 60.90 2kix h SER 16 Cb 1.28 0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.90 2kix h SER 16 CO 0.13 -0.01 0.05 0.00 -1.14 0.00 0.00 176.83 175.85 2kix h ALA 17 N 1.23 0.93 -0.41 3.77 0.00 -1.47 -2.34 119.26 120.97 2kix h ALA 17 Ca 0.13 -0.29 0.08 0.00 0.00 0.00 0.00 54.91 54.84 2kix h ALA 17 Cb 0.16 -0.23 -0.08 0.00 0.00 0.00 0.00 17.79 17.64 2kix h ALA 17 CO -0.21 0.65 -0.12 1.25 0.00 0.00 0.00 179.25 180.82 2kix h LEU 18 N 0.96 -0.43 -1.30 0.00 7.12 -0.97 0.95 115.31 121.63 2kix h LEU 18 Ca 0.18 0.13 -0.07 0.00 0.13 0.00 0.00 57.88 58.25 2kix h LEU 18 Cb 0.49 0.27 -0.01 0.00 -0.53 0.00 0.00 40.66 40.88 2kix h LEU 18 CO 0.02 -0.15 -0.28 -0.74 -0.13 0.00 0.00 178.44 177.15 2kix h HIS 19 N -0.02 0.11 -0.16 1.25 2.76 -1.15 -1.09 115.15 116.85 2kix h HIS 19 Ca 0.20 -0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.34 2kix h HIS 19 Cb 0.32 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.25 2kix h HIS 19 CO -0.38 0.38 0.08 0.35 -1.30 0.00 0.00 177.93 177.06 2kix h PHE 20 N 0.09 0.24 0.00 5.26 3.57 -0.30 -1.45 116.94 124.35 2kix h PHE 20 Ca 0.01 -0.01 -0.16 0.00 3.53 0.00 0.00 57.97 61.34 2kix h PHE 20 Cb 0.56 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.20 2kix h PHE 20 CO 0.00 0.28 -0.77 -0.84 -2.23 0.00 0.00 178.31 174.75 2kix h ILE 21 N 0.13 1.55 -0.32 1.41 3.07 -1.15 -2.75 117.51 119.44 2kix h ILE 21 Ca 0.06 -2.64 -0.06 0.00 1.55 0.00 0.00 64.86 63.76 2kix h ILE 21 Cb 0.13 2.43 -0.02 0.00 -0.27 0.00 0.00 36.82 39.09 2kix h ILE 21 CO -0.01 0.75 -0.06 0.00 -1.05 0.00 0.00 178.15 177.79 2kix h ALA 22 N 1.23 1.31 0.00 0.16 0.00 -0.95 0.50 119.26 121.51 2kix h ALA 22 Ca -0.01 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 2kix h ALA 22 Cb 1.37 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2kix h ALA 22 CO 0.10 0.46 -0.18 2.35 0.00 0.00 0.00 179.25 181.98 2kix h TRP 23 N 0.48 0.18 -0.30 0.00 2.91 -1.19 -1.55 115.95 116.48 2kix h TRP 23 Ca 0.10 -0.10 -0.07 0.00 1.13 0.00 0.00 58.89 59.95 2kix h TRP 23 Cb 0.40 -0.02 -0.02 0.00 -0.51 0.00 0.00 29.16 29.02 2kix h TRP 23 CO 0.01 0.90 -0.11 1.15 -1.03 0.00 0.00 178.44 179.37 2kix h THR 24 N -0.60 1.23 0.06 2.65 2.02 -1.39 0.33 112.91 117.21 2kix h THR 24 Ca -0.02 -0.99 -0.00 0.00 0.77 0.00 0.00 66.41 66.17 2kix h THR 24 Cb 0.95 1.12 0.00 0.00 -1.74 0.00 0.00 68.15 68.48 2kix h THR 24 CO 0.04 0.32 -0.03 0.40 0.37 0.00 0.00 175.52 176.62 2kix h ILE 25 N 0.47 1.11 -0.21 3.11 2.04 -0.97 -1.69 117.51 121.37 2kix h ILE 25 Ca 0.09 -1.57 -0.08 0.00 1.00 0.00 0.00 64.86 64.29 2kix h ILE 25 Cb 0.47 1.99 -0.01 0.00 -0.74 0.00 0.00 36.82 38.53 2kix h ILE 25 CO 0.03 0.34 -0.23 1.23 0.00 0.00 0.00 178.15 179.51 2kix h GLY 26 N -0.91 0.41 0.76 5.37 0.00 -1.28 -1.88 103.07 105.53 2kix h GLY 26 Ca -0.01 -0.31 -0.10 0.00 0.00 0.00 0.00 47.33 46.91 2kix h GLY 26 CO 0.01 0.29 -0.31 0.84 0.00 0.00 0.00 176.54 177.37 2kix h HIS 27 N 0.34 0.53 -0.66 5.60 -0.00 -0.44 -3.08 115.15 117.44 2kix h HIS 27 Ca 0.05 -0.21 0.03 0.00 -0.00 0.00 0.00 60.37 60.25 2kix h HIS 27 Cb 0.60 -0.09 -0.04 0.00 -0.00 0.00 0.00 27.41 27.88 2kix h HIS 27 CO 0.02 0.92 0.44 1.25 -0.00 0.00 0.00 177.93 180.56 2kix h LEU 28 N -0.02 0.69 -1.63 0.26 6.46 -1.18 -0.73 115.31 119.17 2kix h LEU 28 Ca -0.01 -0.01 0.01 0.00 -0.12 0.00 0.00 57.88 57.75 2kix h LEU 28 Cb 0.92 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.67 2kix h LEU 28 CO 0.07 0.48 0.26 0.78 -0.62 0.00 0.00 178.44 179.41 2kix h ASN 29 N 0.81 0.44 -0.37 1.25 -0.26 -1.25 -2.17 115.58 114.02 2kix h ASN 29 Ca 0.26 -0.01 -0.00 0.00 -0.56 0.00 0.00 56.30 55.99 2kix h ASN 29 Cb 0.04 -0.11 -0.02 0.00 -1.06 0.00 0.00 38.32 37.18 2kix h ASN 29 CO -0.07 0.31 0.22 -0.61 -1.06 0.00 0.00 177.43 176.22 2kix h GLN 30 N 0.51 0.51 -2.29 0.81 5.75 -1.07 -2.86 115.11 116.47 2kix h GLN 30 Ca 0.15 -0.05 -0.67 0.00 -0.15 0.00 0.00 58.65 57.93 2kix h GLN 30 Cb -0.03 -0.10 -0.18 0.00 1.07 0.00 0.00 27.48 28.24 2kix h GLN 30 CO -0.03 0.40 1.38 1.51 -2.65 0.00 0.00 178.83 179.44 2kix n ILE 31 N -4.77 4.52 0.06 2.39 3.06 -0.82 -4.39 119.36 119.41 2kix n ILE 31 Ca -0.00 -4.07 0.00 0.00 -2.50 0.00 0.00 62.75 56.18 2kix n ILE 31 Cb 0.06 -1.75 0.00 0.00 0.54 0.00 0.00 39.64 38.49 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 0.96 0.00 -0.25 9.51 4.81 -1.10 -5.01 118.16 127.09 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 0.36 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