#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbg s LYS 2 N 0.00 4.17 0.88 2.12 2.20 -1.26 -5.08 119.74 122.76 2qbg s LYS 2 Ca 0.00 0.34 -0.15 0.00 -0.36 0.00 0.00 55.97 55.80 2qbg s LYS 2 Cb 0.00 -3.36 0.22 0.00 -1.51 0.00 0.00 37.83 33.18 2qbg s LYS 2 CO 0.00 0.36 0.88 0.54 -0.36 0.00 0.00 175.35 176.78 2qbg n ARG 3 N 3.01 -2.18 -0.06 4.03 5.12 -1.26 -5.01 116.66 120.31 2qbg n ARG 3 Ca -0.11 -1.40 -0.16 0.00 -1.93 0.00 0.00 57.85 54.25 2qbg n ARG 3 Cb 0.52 -1.19 -0.14 0.00 -1.16 0.00 0.00 32.46 30.49 2qbg n ARG 3 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 2qbg n THR 4 N -4.05 1.60 -2.36 0.55 -2.24 -1.26 -4.85 114.28 101.67 2qbg n THR 4 Ca 0.12 -0.68 -0.43 0.00 -2.27 0.00 0.00 64.05 60.79 2qbg n THR 4 Cb 0.45 -1.32 -0.02 0.00 -2.10 0.00 0.00 70.33 67.33 2qbg n THR 4 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2qbg s PHE 5 N -2.54 2.42 -0.35 4.78 5.99 -1.26 -4.97 117.98 122.05 2qbg s PHE 5 Ca -0.22 0.67 0.04 0.00 0.00 0.00 0.00 56.93 57.42 2qbg s PHE 5 Cb 0.08 -4.32 0.10 0.00 0.00 0.00 0.00 43.02 38.87 2qbg s PHE 5 CO 0.73 -1.95 0.07 -0.65 -0.00 0.00 0.00 175.22 173.42 2qbg s GLN 6 N 4.92 1.47 0.44 10.12 -1.52 -1.26 -5.10 119.66 128.72 2qbg s GLN 6 Ca 0.61 -1.89 -0.23 0.00 -1.95 0.00 0.00 55.36 51.90 2qbg s GLN 6 Cb -0.13 -3.14 -0.11 0.00 -0.22 0.00 0.00 33.01 29.41 2qbg s GLN 6 CO 0.33 -0.96 0.80 -0.35 -0.25 0.00 0.00 175.29 174.86 2qbg n PRO 7 N 4.20 0.95 -2.81 2.91 -0.04 -1.26 -5.01 135.00 133.95 2qbg n PRO 7 Ca 0.04 0.35 0.02 0.00 -0.04 0.00 0.00 63.50 63.87 2qbg n PRO 7 Cb 0.41 -1.81 0.01 0.00 -0.04 0.00 0.00 33.50 32.07 2qbg n PRO 7 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2qbg s SER 8 N -0.88 -0.28 0.35 3.54 0.15 -1.26 -5.04 113.70 110.28 2qbg s SER 8 Ca 0.64 -0.11 0.15 0.00 0.70 0.00 0.00 55.95 57.33 2qbg s SER 8 Cb -0.57 0.47 1.05 0.00 -1.71 0.00 0.00 66.02 65.26 2qbg s SER 8 CO 0.56 -0.03 1.71 1.62 1.20 0.00 0.00 173.24 178.30 2qbg h VAL 9 N 3.49 0.42 0.32 4.45 3.04 -1.99 -0.28 116.25 125.70 2qbg h VAL 9 Ca -0.05 -0.14 -0.02 0.00 -1.01 0.00 0.00 66.70 65.48 2qbg h VAL 9 Cb 1.23 -0.03 0.00 0.00 -2.01 0.00 0.00 31.29 30.48 2qbg h VAL 9 CO -0.09 0.08 -0.15 0.25 -1.01 0.00 0.00 177.57 176.64 2qbg h LEU 10 N 0.41 -0.36 -0.97 3.16 7.12 -2.00 -2.37 115.31 120.29 2qbg h LEU 10 Ca 0.68 -0.06 -0.05 0.00 0.13 0.00 0.00 57.88 58.58 2qbg h LEU 10 Cb 1.56 0.09 -0.03 0.00 -0.53 0.00 0.00 40.66 41.76 2qbg h LEU 10 CO -0.47 -0.17 0.14 0.11 -0.13 0.00 0.00 178.44 177.91 2qbg h LYS 11 N -0.54 0.89 0.31 1.25 1.57 -1.61 -2.92 116.57 115.52 2qbg h LYS 11 Ca -0.04 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.54 2qbg h LYS 11 Cb 0.40 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 2qbg h LYS 11 CO 0.07 0.80 -0.22 -0.09 -0.57 0.00 0.00 179.45 179.44 2qbg h ARG 12 N 0.86 -0.49 -0.35 3.15 2.43 -1.00 -3.04 114.38 115.94 2qbg h ARG 12 Ca 0.19 0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.45 2qbg h ARG 12 Cb 0.31 0.11 -0.08 0.00 -0.42 0.00 0.00 29.97 29.89 2qbg h ARG 12 CO -0.00 -0.33 -0.44 -0.91 -1.51 0.00 0.00 179.97 176.78 2qbg h ASN 13 N -0.51 -1.45 0.00 -3.80 -0.26 -1.47 0.11 115.58 108.20 2qbg h ASN 13 Ca -0.04 0.21 0.00 0.00 -0.56 0.00 0.00 56.30 55.91 2qbg h ASN 13 Cb 0.42 0.62 0.00 0.00 -1.06 0.00 0.00 38.32 38.30 2qbg h ASN 13 CO 0.02 -0.39 0.00 -2.11 -1.06 0.00 0.00 177.43 173.90 2qbg n ARG 14 N -5.42 0.78 0.00 0.81 1.85 -1.11 0.18 116.66 113.76 2qbg n ARG 14 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.83 2qbg n ARG 14 Cb 0.35 -1.11 0.00 0.00 -1.05 0.00 0.00 32.46 30.65 2qbg n ARG 14 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2qbg n SER 15 N 0.80 0.00 0.00 2.89 7.64 -0.33 -4.90 113.62 119.72 2qbg n SER 15 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2qbg n SER 15 Cb 0.39 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 2qbg n SER 15 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2qbg n HIS 16 N -0.41 0.00 -1.31 1.43 8.25 0.22 -4.95 115.22 118.45 2qbg n HIS 16 Ca 0.00 -0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.16 2qbg n HIS 16 Cb 0.00 -0.00 0.21 0.00 1.12 0.00 0.00 29.99 31.32 2qbg n HIS 16 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2qbg s GLY 17 N -0.01 1.62 -0.05 -1.41 0.00 0.46 -4.16 107.32 103.77 2qbg s GLY 17 Ca 0.00 -0.89 -0.19 0.00 0.00 0.00 0.00 44.72 43.64 2qbg s GLY 17 CO 0.00 -0.09 0.78 -2.75 0.00 0.00 0.00 173.10 171.04 2qbg h PHE 18 N -2.20 -0.26 0.00 1.90 3.04 -1.81 0.13 116.94 117.74 2qbg h PHE 18 Ca -0.47 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.48 2qbg h PHE 18 Cb 1.29 0.09 0.00 0.00 2.56 0.00 0.00 35.95 39.89 2qbg h PHE 18 CO -1.39 0.10 0.00 0.54 -2.02 0.00 0.00 178.31 175.54 2qbg n ARG 19 N -4.97 0.00 -0.08 1.11 1.74 -1.26 0.12 116.66 113.33 2qbg n ARG 19 Ca -0.07 0.44 -0.16 0.00 -0.77 0.00 0.00 57.85 57.29 2qbg n ARG 19 Cb 0.24 -1.51 -0.14 0.00 -1.02 0.00 0.00 32.46 30.03 2qbg n ARG 19 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qbg n ALA 20 N -1.51 1.33 0.08 7.54 0.00 -1.17 -3.29 120.51 123.49 2qbg n ALA 20 Ca 0.01 -0.99 -0.06 0.00 0.00 0.00 0.00 53.44 52.40 2qbg n ALA 20 Cb 0.05 -0.36 0.10 0.00 0.00 0.00 0.00 19.45 19.24 2qbg n ALA 20 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2qbg h ARG 21 N 0.02 0.24 0.00 0.00 2.43 0.10 -2.60 114.38 114.57 2qbg h ARG 21 Ca -0.50 -0.18 -0.04 0.00 -0.81 0.00 0.00 59.98 58.45 2qbg h ARG 21 Cb 2.03 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 31.60 2qbg h ARG 21 CO 0.00 0.80 -0.21 0.52 -1.51 0.00 0.00 179.97 179.58 2qbg h MET 22 N 0.18 0.00 -0.05 0.20 2.86 -0.49 -3.08 114.93 114.54 2qbg h MET 22 Ca -0.01 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.66 2qbg h MET 22 Cb 1.16 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.77 2qbg h MET 22 CO 0.10 0.21 -0.21 0.00 1.06 0.00 0.00 176.91 178.06 2qbg h ALA 23 N 1.79 -0.23 -2.05 6.32 0.00 -1.45 -3.44 119.26 120.21 2qbg h ALA 23 Ca -0.00 0.02 -0.46 0.00 0.00 0.00 0.00 54.91 54.47 2qbg h ALA 23 Cb 0.88 0.39 0.04 0.00 0.00 0.00 0.00 17.79 19.10 2qbg h ALA 23 CO 0.03 -0.69 -0.05 0.95 0.00 0.00 0.00 179.25 179.49 2qbg s THR 24 N -6.10 3.65 -0.05 0.00 -4.23 -1.24 -5.01 115.64 102.67 2qbg s THR 24 Ca -0.15 -0.47 0.12 0.00 -1.18 0.00 0.00 61.69 60.01 2qbg s THR 24 Cb 0.10 -3.37 -0.07 0.00 1.34 0.00 0.00 72.50 70.50 2qbg s THR 24 CO 0.67 -0.27 1.28 0.50 -0.54 0.00 0.00 174.62 176.25 2qbg h LYS 25 N 0.25 0.00 0.00 3.99 1.63 -1.86 -3.18 116.57 117.40 2qbg h LYS 25 Ca -0.45 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.35 2qbg h LYS 25 Cb 1.26 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.89 2qbg h LYS 25 CO 0.57 0.66 -0.49 -0.91 -3.45 0.00 0.00 179.45 175.82 2qbg h ASN 26 N 0.00 0.00 0.66 4.20 -0.26 -1.95 -3.09 115.58 115.14 2qbg h ASN 26 Ca -0.04 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.69 2qbg h ASN 26 Cb 1.58 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.84 2qbg h ASN 26 CO 0.09 0.01 -0.16 0.61 -1.06 0.00 0.00 177.43 176.91 2qbg n GLY 27 N 1.16 -1.26 0.09 2.83 0.00 -1.22 -2.75 105.19 104.04 2qbg n GLY 27 Ca 0.02 -0.21 -0.11 0.00 0.00 0.00 0.00 46.02 45.71 2qbg n GLY 27 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2qbg h ARG 28 N 0.16 0.07 -0.07 1.61 2.43 -1.45 -3.27 114.38 113.86 2qbg h ARG 28 Ca 0.00 -0.12 -0.13 0.00 -0.81 0.00 0.00 59.98 58.92 2qbg h ARG 28 Cb 0.45 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 2qbg h ARG 28 CO 0.00 0.71 -0.56 1.96 -1.51 0.00 0.00 179.97 180.58 2qbg h GLN 29 N 0.02 0.20 -0.64 0.20 4.20 -1.54 -2.16 115.11 115.39 2qbg h GLN 29 Ca -0.28 -0.13 0.09 0.00 0.06 0.00 0.00 58.65 58.39 2qbg h GLN 29 Cb 2.00 0.01 -0.07 0.00 0.30 0.00 0.00 27.48 29.72 2qbg h GLN 29 CO 0.09 0.71 0.28 0.28 -0.67 0.00 0.00 178.83 179.52 2qbg h VAL 30 N 0.16 0.81 0.50 -0.54 2.07 -1.56 0.72 116.25 118.40 2qbg h VAL 30 Ca -0.00 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 2qbg h VAL 30 Cb 1.03 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 2qbg h VAL 30 CO 0.08 0.09 -0.24 -0.07 0.02 0.00 0.00 177.57 177.45 2qbg h LEU 31 N 0.49 -0.57 -1.09 2.57 3.38 -1.55 -1.31 115.31 117.22 2qbg h LEU 31 Ca 0.32 0.02 0.35 0.00 0.09 0.00 0.00 57.88 58.66 2qbg h LEU 31 Cb 0.36 0.15 -0.15 0.00 0.09 0.00 0.00 40.66 41.11 2qbg h LEU 31 CO -0.28 -0.21 0.62 0.00 0.09 0.00 0.00 178.44 178.66 2qbg h ALA 32 N -1.28 2.13 0.80 1.53 0.00 -1.16 1.85 119.26 123.12 2qbg h ALA 32 Ca -0.07 0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 2qbg h ALA 32 Cb 0.52 0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.49 2qbg h ALA 32 CO 0.11 -0.76 -0.38 -0.09 0.00 0.00 0.00 179.25 178.13 2qbg h ARG 33 N 0.25 -1.03 -0.23 0.00 9.65 0.55 0.34 114.38 123.92 2qbg h ARG 33 Ca 0.75 0.07 0.01 0.00 -1.10 0.00 0.00 59.98 59.72 2qbg h ARG 33 Cb 1.88 0.23 -0.02 0.00 -1.39 0.00 0.00 29.97 30.68 2qbg h ARG 33 CO -0.57 -0.68 0.11 0.00 2.80 0.00 0.00 179.97 181.63 2qbg h ARG 34 N -1.14 0.23 -0.49 0.20 3.08 0.11 -1.28 114.38 115.10 2qbg h ARG 34 Ca -0.11 -0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.02 2qbg h ARG 34 Cb 0.83 -0.05 -0.09 0.00 0.08 0.00 0.00 29.97 30.74 2qbg h ARG 34 CO 0.18 0.15 -0.06 0.00 -1.07 0.00 0.00 179.97 179.17 2qbg h ARG 35 N 0.24 0.05 0.06 0.04 3.08 0.27 0.46 114.38 118.57 2qbg h ARG 35 Ca 0.09 -0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.14 2qbg h ARG 35 Cb 0.02 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 2qbg h ARG 35 CO -0.06 0.03 -0.24 0.00 -1.07 0.00 0.00 179.97 178.63 2qbg h ALA 36 N 1.46 -0.76 -0.41 0.04 0.00 0.37 0.35 119.26 120.32 2qbg h ALA 36 Ca 0.24 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.22 2qbg h ALA 36 Cb 0.37 0.65 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2qbg h ALA 36 CO -0.46 -0.82 0.63 -0.22 0.00 0.00 0.00 179.25 178.39 2qbg h LYS 37 N -0.34 0.00 -0.12 0.00 3.64 -0.49 -3.44 116.57 115.82 2qbg h LYS 37 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2qbg h LYS 37 Cb 0.34 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 2qbg h LYS 37 CO -0.13 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 177.46 2qbg n GLY 38 N -1.48 0.48 3.54 5.01 0.00 0.15 -5.01 105.19 107.88 2qbg n GLY 38 Ca 0.08 -0.84 -0.37 0.00 0.00 0.00 0.00 46.02 44.89 2qbg n GLY 38 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2qbg n ARG 39 N -0.94 0.56 -0.03 1.61 3.00 -0.63 -4.93 116.66 115.30 2qbg n ARG 39 Ca 0.00 0.23 -0.15 0.00 -0.00 0.00 0.00 57.85 57.94 2qbg n ARG 39 Cb 0.49 -1.97 -0.11 0.00 0.00 0.00 0.00 32.46 30.86 2qbg n ARG 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2qbg h ALA 40 N 0.05 0.02 -3.28 5.13 0.00 -1.95 -3.44 119.26 115.79 2qbg h ALA 40 Ca -0.47 -0.44 -0.64 0.00 0.00 0.00 0.00 54.91 53.36 2qbg h ALA 40 Cb 1.36 0.01 -0.17 0.00 0.00 0.00 0.00 17.79 18.99 2qbg h ALA 40 CO 0.47 0.02 -0.61 1.03 0.00 0.00 0.00 179.25 180.16 2qbg s ARG 41 N -3.11 3.60 -0.14 0.00 0.52 -1.26 -5.04 118.95 113.52 2qbg s ARG 41 Ca -0.16 -0.41 -0.10 0.00 -0.52 0.00 0.00 55.73 54.53 2qbg s ARG 41 Cb 0.00 -3.00 -0.05 0.00 0.52 0.00 0.00 34.95 32.43 2qbg s ARG 41 CO 0.72 0.39 -0.10 -0.07 0.02 0.00 0.00 175.30 176.26 2qbg h LEU 42 N 6.24 0.00 -6.71 2.53 -0.00 -1.99 -3.47 115.31 111.92 2qbg h LEU 42 Ca -0.39 -0.07 -0.50 0.00 -0.00 0.00 0.00 57.88 56.93 2qbg h LEU 42 Cb 1.18 0.00 -0.38 0.00 -0.00 0.00 0.00 40.66 41.46 2qbg h LEU 42 CO 0.63 0.80 -0.76 0.42 -0.00 0.00 0.00 178.44 179.54 2qbg s THR 43 N -2.17 -0.11 -0.82 0.22 -4.23 -1.26 -4.92 115.64 102.34 2qbg s THR 43 Ca -0.14 -0.82 -0.10 0.00 -1.18 0.00 0.00 61.69 59.44 2qbg s THR 43 Cb 0.02 -0.99 0.10 0.00 1.34 0.00 0.00 72.50 72.98 2qbg s THR 43 CO 0.24 -0.71 0.26 0.52 -0.54 0.00 0.00 174.62 174.39 2qbg n VAL 44 N 5.10 0.00 0.00 2.29 0.31 -1.26 -4.35 118.33 120.43 2qbg n VAL 44 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 2qbg n VAL 44 Cb 0.42 -0.22 0.00 0.00 -0.91 0.00 0.00 33.84 33.14 2qbg n VAL 44 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2qbg n SER 45 N -0.98 0.00 0.00 4.52 3.41 -1.26 -4.99 113.62 114.32 2qbg n SER 45 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 2qbg n SER 45 Cb 0.26 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 2qbg n SER 45 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05