#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qx8 h LYS 6 N 0.00 0.00 0.00 3.44 1.57 -2.06 -3.32 116.57 116.20 1qx8 h LYS 6 Ca 0.00 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.57 1qx8 h LYS 6 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 1qx8 h LYS 6 CO 0.00 0.14 -1.28 1.79 -0.57 0.00 0.00 179.45 179.53 1qx8 h THR 7 N 0.00 0.94 -0.23 -0.16 1.35 -2.05 -2.87 112.91 109.90 1qx8 h THR 7 Ca -0.00 -2.58 -0.04 0.00 -0.55 0.00 0.00 66.41 63.23 1qx8 h THR 7 Cb 0.83 2.40 -0.01 0.00 -1.73 0.00 0.00 68.15 69.64 1qx8 h THR 7 CO 0.02 0.54 -0.04 0.00 -0.25 0.00 0.00 175.52 175.78 1qx8 h ALA 8 N 1.20 1.51 0.06 6.62 0.00 -1.99 0.11 119.26 126.76 1qx8 h ALA 8 Ca -0.15 -0.18 -0.25 0.00 0.00 0.00 0.00 54.91 54.33 1qx8 h ALA 8 Cb 1.74 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 19.45 1qx8 h ALA 8 CO 0.08 0.35 -1.03 1.25 0.00 0.00 0.00 179.25 179.90 1qx8 h LEU 9 N 0.33 0.80 -1.43 0.00 5.85 -1.67 -2.22 115.31 116.97 1qx8 h LEU 9 Ca 0.07 -0.79 -0.01 0.00 0.84 0.00 0.00 57.88 57.99 1qx8 h LEU 9 Cb 0.30 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1qx8 h LEU 9 CO 0.01 1.50 0.27 0.78 -0.34 0.00 0.00 178.44 180.66 1qx8 h ASN 10 N 0.19 0.58 -0.27 1.25 2.35 -1.33 -2.27 115.58 116.08 1qx8 h ASN 10 Ca -0.15 -0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.53 1qx8 h ASN 10 Cb 1.71 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 39.93 1qx8 h ASN 10 CO 0.20 0.47 0.02 0.24 -1.65 0.00 0.00 177.43 176.70 1qx8 h MET 11 N 0.67 0.47 -0.68 0.81 2.86 -0.80 -2.31 114.93 115.94 1qx8 h MET 11 Ca 0.17 -0.14 -0.06 0.00 -2.06 0.00 0.00 59.70 57.61 1qx8 h MET 11 Cb 0.01 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.59 1qx8 h MET 11 CO -0.03 0.61 0.19 0.00 1.06 0.00 0.00 176.91 178.74 1qx8 h ALA 12 N 0.84 1.06 -0.46 6.32 0.00 -1.24 -1.33 119.26 124.45 1qx8 h ALA 12 Ca 0.08 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 1qx8 h ALA 12 Cb 0.39 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1qx8 h ALA 12 CO 0.01 0.63 -0.17 -0.09 0.00 0.00 0.00 179.25 179.63 1qx8 h ARG 13 N 1.01 0.90 -0.48 0.00 2.43 -1.43 -2.10 114.38 114.70 1qx8 h ARG 13 Ca 0.22 -0.35 -0.05 0.00 -0.81 0.00 0.00 59.98 58.99 1qx8 h ARG 13 Cb 0.32 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 1qx8 h ARG 13 CO -0.00 1.00 0.11 0.35 -1.51 0.00 0.00 179.97 179.91 1qx8 h PHE 14 N 0.79 0.82 -0.83 2.20 3.57 -1.13 -2.01 116.94 120.34 1qx8 h PHE 14 Ca 0.11 -0.10 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 1qx8 h PHE 14 Cb 0.71 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 39.19 1qx8 h PHE 14 CO 0.04 0.74 0.38 0.82 -2.23 0.00 0.00 178.31 178.06 1qx8 h ILE 15 N 0.66 1.26 -0.89 1.41 2.04 -1.15 -0.84 117.51 120.00 1qx8 h ILE 15 Ca 0.15 -0.76 -0.01 0.00 1.00 0.00 0.00 64.86 65.23 1qx8 h ILE 15 Cb 0.34 0.22 -0.04 0.00 -0.74 0.00 0.00 36.82 36.59 1qx8 h ILE 15 CO 0.00 0.32 0.51 -0.09 0.00 0.00 0.00 178.15 178.89 1qx8 h ARG 16 N 1.20 1.22 -0.08 2.37 2.43 -1.16 -2.61 114.38 117.76 1qx8 h ARG 16 Ca 0.28 -0.13 -0.24 0.00 -0.81 0.00 0.00 59.98 59.09 1qx8 h ARG 16 Cb 0.15 -0.25 0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1qx8 h ARG 16 CO -0.03 0.88 -0.90 0.77 -1.51 0.00 0.00 179.97 179.18 1qx8 h SER 17 N 1.24 0.87 -0.70 -3.80 0.02 -0.94 -3.10 113.55 107.14 1qx8 h SER 17 Ca 0.32 -0.63 0.12 0.00 -0.84 0.00 0.00 61.79 60.75 1qx8 h SER 17 Cb -0.01 -0.26 -0.05 0.00 0.14 0.00 0.00 62.40 62.23 1qx8 h SER 17 CO -0.05 1.43 0.46 1.56 -1.14 0.00 0.00 176.83 179.09 1qx8 h GLN 18 N 0.44 0.46 -0.06 3.45 4.20 -1.10 -1.74 115.11 120.76 1qx8 h GLN 18 Ca -0.08 -0.03 -0.11 0.00 0.06 0.00 0.00 58.65 58.48 1qx8 h GLN 18 Cb 1.53 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 29.20 1qx8 h GLN 18 CO 0.18 0.30 -0.49 1.79 -0.67 0.00 0.00 178.83 179.94 1qx8 h THR 19 N 0.47 1.35 -0.58 -0.54 1.35 -1.39 -1.03 112.91 112.53 1qx8 h THR 19 Ca 0.33 -1.70 -0.07 0.00 -0.55 0.00 0.00 66.41 64.42 1qx8 h THR 19 Cb 0.65 1.85 -0.02 0.00 -1.73 0.00 0.00 68.15 68.89 1qx8 h THR 19 CO -0.11 0.50 0.08 -0.07 -0.25 0.00 0.00 175.52 175.67 1qx8 h LEU 20 N 0.12 0.93 -0.82 3.87 3.38 -1.37 -2.03 115.31 119.39 1qx8 h LEU 20 Ca 0.00 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 1qx8 h LEU 20 Cb 0.91 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.37 1qx8 h LEU 20 CO 0.07 0.96 0.36 0.74 0.09 0.00 0.00 178.44 180.66 1qx8 h THR 21 N 0.86 1.26 -0.26 0.22 2.02 -1.12 -2.44 112.91 113.45 1qx8 h THR 21 Ca 0.17 -0.79 0.05 0.00 0.77 0.00 0.00 66.41 66.62 1qx8 h THR 21 Cb 0.44 0.25 -0.05 0.00 -1.74 0.00 0.00 68.15 67.05 1qx8 h THR 21 CO 0.01 0.33 -0.06 -0.07 0.37 0.00 0.00 175.52 176.11 1qx8 h LEU 22 N 1.19 -0.23 -0.29 2.58 3.38 -0.92 -1.36 115.31 119.66 1qx8 h LEU 22 Ca 0.28 0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.35 1qx8 h LEU 22 Cb 0.18 0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1qx8 h LEU 22 CO -0.03 -0.08 0.10 -0.07 0.09 0.00 0.00 178.44 178.46 1qx8 h LEU 23 N 0.01 0.12 -0.58 1.67 3.38 -1.16 -0.86 115.31 117.88 1qx8 h LEU 23 Ca 0.12 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.15 1qx8 h LEU 23 Cb 0.19 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 1qx8 h LEU 23 CO -0.26 0.10 0.36 -0.08 0.09 0.00 0.00 178.44 178.65 1qx8 h GLU 24 N 0.23 0.69 0.00 1.13 4.81 -1.23 -1.98 114.58 118.23 1qx8 h GLU 24 Ca 0.13 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.25 1qx8 h GLU 24 Cb 0.09 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 1qx8 h GLU 24 CO -0.13 0.46 -0.33 0.87 -0.73 0.00 0.00 179.01 179.15 1qx8 h LYS 25 N 0.71 0.00 -0.12 1.92 1.79 -0.86 -2.65 116.57 117.36 1qx8 h LYS 25 Ca 0.23 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.53 1qx8 h LYS 25 Cb 0.01 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1qx8 h LYS 25 CO -0.09 0.33 -0.65 -0.07 -1.08 0.00 0.00 179.45 177.88 1qx8 h LEU 26 N 0.00 0.54 -1.23 2.94 3.38 -0.47 -1.94 115.31 118.54 1qx8 h LEU 26 Ca -0.00 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.59 1qx8 h LEU 26 Cb 0.62 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1qx8 h LEU 26 CO 0.04 1.05 -0.02 0.78 0.09 0.00 0.00 178.44 180.39 1qx8 h ASN 27 N 0.34 0.47 0.27 -0.43 2.35 -1.07 -0.75 115.58 116.76 1qx8 h ASN 27 Ca -0.02 -0.09 -0.18 0.00 -0.55 0.00 0.00 56.30 55.46 1qx8 h ASN 27 Cb 1.21 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.46 1qx8 h ASN 27 CO 0.12 0.56 -0.73 -0.08 -1.65 0.00 0.00 177.43 175.64 1qx8 h GLU 28 N 0.48 0.39 -0.50 0.81 4.81 -1.27 -1.74 114.58 117.56 1qx8 h GLU 28 Ca 0.10 -0.32 -0.05 0.00 -0.13 0.00 0.00 59.36 58.96 1qx8 h GLU 28 Cb 0.34 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 1qx8 h GLU 28 CO 0.01 0.96 0.10 -0.07 -0.73 0.00 0.00 179.01 179.28 1qx8 h LEU 29 N 0.27 0.73 -0.36 1.64 3.38 -0.89 -2.38 115.31 117.69 1qx8 h LEU 29 Ca -0.03 -0.14 -0.18 0.00 0.09 0.00 0.00 57.88 57.62 1qx8 h LEU 29 Cb 1.31 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 1qx8 h LEU 29 CO 0.12 0.74 -0.57 0.00 0.09 0.00 0.00 178.44 178.82 1qx8 h ALA 30 N 1.35 0.53 -0.54 1.53 0.00 -0.75 -0.22 119.26 121.17 1qx8 h ALA 30 Ca 0.16 -0.52 0.06 0.00 0.00 0.00 0.00 54.91 54.61 1qx8 h ALA 30 Cb 0.32 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 1qx8 h ALA 30 CO 0.00 0.69 0.25 -0.44 0.00 0.00 0.00 179.25 179.75 1qx8 h ASP 31 N 0.57 0.34 -0.47 0.00 5.19 -1.25 -1.04 116.42 119.75 1qx8 h ASP 31 Ca 0.01 0.04 -0.04 0.00 -0.62 0.00 0.00 57.03 56.41 1qx8 h ASP 31 Cb 1.16 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 40.64 1qx8 h ASP 31 CO 0.12 0.23 0.12 0.40 -3.12 0.00 0.00 179.24 176.99 1qx8 h ILE 32 N 0.48 1.23 -0.89 0.35 2.04 -1.05 -2.27 117.51 117.41 1qx8 h ILE 32 Ca 0.25 -0.81 -0.02 0.00 1.00 0.00 0.00 64.86 65.28 1qx8 h ILE 32 Cb 0.20 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 1qx8 h ILE 32 CO -0.20 0.29 0.47 0.00 0.00 0.00 0.00 178.15 178.71 1qx8 h GLU 34 N 1.25 0.49 -0.67 0.00 4.11 -1.10 -0.18 114.58 118.47 1qx8 h GLU 34 Ca 0.31 -0.46 0.06 0.00 0.07 0.00 0.00 59.36 59.34 1qx8 h GLU 34 Cb 0.05 0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.36 1qx8 h GLU 34 CO -0.05 1.10 0.37 1.03 0.07 0.00 0.00 179.01 181.53 1qx8 h SER 35 N 0.30 0.54 -0.43 3.06 0.87 -1.33 0.90 113.55 117.46 1qx8 h SER 35 Ca -0.06 0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.48 1qx8 h SER 35 Cb 1.48 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 63.35 1qx8 h SER 35 CO 0.15 0.34 0.08 -0.07 -0.53 0.00 0.00 176.83 176.81 1qx8 h LEU 36 N 0.67 0.67 -0.46 2.23 3.38 -0.72 -1.74 115.31 119.34 1qx8 h LEU 36 Ca 0.31 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 58.05 1qx8 h LEU 36 Cb 0.21 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1qx8 h LEU 36 CO -0.20 0.74 0.27 -0.74 0.09 0.00 0.00 178.44 178.61 1qx8 h HIS 37 N 0.56 0.51 -0.63 1.13 2.76 -0.73 0.40 115.15 119.15 1qx8 h HIS 37 Ca 0.13 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.25 1qx8 h HIS 37 Cb 0.35 -0.16 -0.03 0.00 1.55 0.00 0.00 27.41 29.12 1qx8 h HIS 37 CO 0.02 0.29 0.14 -0.44 -1.30 0.00 0.00 177.93 176.64 1qx8 h ASP 38 N 0.55 0.94 -0.15 3.26 3.32 -0.51 -0.45 116.42 123.37 1qx8 h ASP 38 Ca 0.18 -0.19 -0.18 0.00 0.02 0.00 0.00 57.03 56.86 1qx8 h ASP 38 Cb 0.02 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.32 1qx8 h ASP 38 CO -0.08 0.92 -0.58 0.45 -1.72 0.00 0.00 179.24 178.22 1qx8 h HIS 39 N 0.95 0.96 -0.83 4.55 3.86 -1.13 -2.06 115.15 121.44 1qx8 h HIS 39 Ca 0.20 -0.35 0.02 0.00 -1.16 0.00 0.00 60.37 59.07 1qx8 h HIS 39 Cb 0.36 -0.17 -0.04 0.00 1.06 0.00 0.00 27.41 28.61 1qx8 h HIS 39 CO 0.02 1.15 0.55 0.00 0.86 0.00 0.00 177.93 180.51 1qx8 h ALA 40 N 0.77 1.07 -0.39 2.45 0.00 -0.61 -1.26 119.26 121.28 1qx8 h ALA 40 Ca 0.00 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1qx8 h ALA 40 Cb 1.18 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1qx8 h ALA 40 CO 0.12 0.43 -0.16 0.22 0.00 0.00 0.00 179.25 179.86 1qx8 h ASP 41 N 1.10 0.82 -0.06 0.00 1.82 -0.98 -1.00 116.42 118.12 1qx8 h ASP 41 Ca 0.31 -0.39 -0.00 0.00 -0.39 0.00 0.00 57.03 56.56 1qx8 h ASP 41 Cb -0.09 -0.23 -0.00 0.00 0.68 0.00 0.00 39.33 39.69 1qx8 h ASP 41 CO -0.08 1.03 0.03 -0.08 -1.61 0.00 0.00 179.24 178.53 1qx8 h GLU 42 N 0.61 0.09 -0.10 0.28 4.81 -1.18 -1.72 114.58 117.36 1qx8 h GLU 42 Ca 0.09 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.32 1qx8 h GLU 42 Cb 0.71 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 1qx8 h GLU 42 CO 0.05 0.18 0.03 1.25 -0.73 0.00 0.00 179.01 179.78 1qx8 h LEU 43 N -0.02 0.02 -0.45 1.64 6.46 -1.19 -1.78 115.31 120.00 1qx8 h LEU 43 Ca 0.02 0.01 0.09 0.00 -0.12 0.00 0.00 57.88 57.88 1qx8 h LEU 43 Cb 0.12 0.01 -0.09 0.00 -0.73 0.00 0.00 40.66 39.97 1qx8 h LEU 43 CO -0.00 0.03 -0.13 0.22 -0.62 0.00 0.00 178.44 177.93 1qx8 h TYR 44 N 0.07 -0.30 -0.49 1.25 3.20 -1.11 0.41 116.97 120.01 1qx8 h TYR 44 Ca 0.04 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 1qx8 h TYR 44 Cb 0.03 0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 1qx8 h TYR 44 CO -0.11 -0.22 0.24 0.00 -1.64 0.00 0.00 178.16 176.44 1qx8 h ARG 45 N -0.03 0.69 0.00 1.82 3.08 -0.99 0.22 114.38 119.18 1qx8 h ARG 45 Ca 0.22 -0.10 -0.07 0.00 0.07 0.00 0.00 59.98 60.11 1qx8 h ARG 45 Cb 0.36 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1qx8 h ARG 45 CO -0.48 0.57 -0.32 0.66 -1.07 0.00 0.00 179.97 179.33 1qx8 h SER 46 N 0.64 0.00 -0.11 7.04 4.64 -1.12 -0.67 113.55 123.97 1qx8 h SER 46 Ca 0.17 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.39 1qx8 h SER 46 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1qx8 h SER 46 CO -0.02 0.32 -0.32 0.00 -0.87 0.00 0.00 176.83 175.93 1qx8 h LEU 48 N -0.01 0.00 0.13 0.00 5.85 -0.26 -2.03 115.31 118.99 1qx8 h LEU 48 Ca -0.01 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.53 1qx8 h LEU 48 Cb 0.94 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.99 1qx8 h LEU 48 CO 0.07 0.00 -0.78 0.00 -0.34 0.00 0.00 178.44 177.39 1qx8 h ALA 49 N 2.01 -0.08 0.00 1.25 0.00 -1.16 -3.37 119.26 117.91 1qx8 h ALA 49 Ca 0.00 -0.69 -0.17 0.00 0.00 0.00 0.00 54.91 54.05 1qx8 h ALA 49 Cb 0.27 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1qx8 h ALA 49 CO 0.00 0.36 -0.80 0.00 0.00 0.00 0.00 179.25 178.82 1qx8 h ARG 50 N -0.41 0.00 -0.01 0.00 -0.00 -1.21 -3.51 114.38 109.24 1qx8 h ARG 50 Ca -0.14 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.34 1qx8 h ARG 50 Cb 1.61 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.58 1qx8 h ARG 50 CO 0.14 0.80 0.00 1.19 0.00 0.00 0.00 179.97 182.10