#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbk n ILE 4 N 0.00 0.00 -2.43 -0.61 -5.35 -1.26 -4.74 119.36 104.97 2qbk n ILE 4 Ca 0.00 0.00 -0.36 0.00 -0.27 0.00 0.00 62.75 62.12 2qbk n ILE 4 Cb 0.00 -0.34 0.01 0.00 -1.74 0.00 0.00 39.64 37.58 2qbk n ILE 4 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2qbk n ARG 5 N -0.83 3.81 -1.44 6.28 5.12 -1.26 -4.34 116.66 124.01 2qbk n ARG 5 Ca 0.00 -4.30 -0.38 0.00 -1.93 0.00 0.00 57.85 51.24 2qbk n ARG 5 Cb 0.02 -2.32 0.04 0.00 -1.16 0.00 0.00 32.46 29.03 2qbk n ARG 5 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2qbk n GLU 6 N -0.33 0.48 -0.04 5.56 4.71 -1.02 -4.20 120.64 125.80 2qbk n GLU 6 Ca 0.45 0.19 -0.01 0.00 -0.01 0.00 0.00 57.16 57.78 2qbk n GLU 6 Cb 0.35 -1.71 0.01 0.00 -1.01 0.00 0.00 31.44 29.08 2qbk n GLU 6 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2qbk n LYS 7 N -0.12 -1.26 -3.64 3.49 4.76 -1.26 -0.24 118.16 119.88 2qbk n LYS 7 Ca 0.11 -0.07 -0.03 0.00 -2.87 0.00 0.00 58.31 55.45 2qbk n LYS 7 Cb 0.48 -0.07 -0.05 0.00 -1.84 0.00 0.00 35.03 33.55 2qbk n LYS 7 CO 0.00 0.00 0.00 -1.50 -1.37 0.00 0.00 177.40 174.53 2qbk s ILE 8 N -1.08 0.00 -0.07 -0.18 -1.16 0.35 -4.37 121.20 114.68 2qbk s ILE 8 Ca 0.03 0.00 0.01 0.00 -0.51 0.00 0.00 60.65 60.18 2qbk s ILE 8 Cb -0.00 -1.00 -0.03 0.00 0.61 0.00 0.00 42.46 42.04 2qbk s ILE 8 CO 0.02 0.00 -0.07 -1.59 -2.81 0.00 0.00 174.94 170.49 2qbk s LYS 9 N -0.69 2.82 -0.64 3.50 0.00 -1.26 -0.84 119.74 122.63 2qbk s LYS 9 Ca 0.08 -0.55 -0.08 0.00 0.00 0.00 0.00 55.97 55.41 2qbk s LYS 9 Cb -0.02 -2.61 0.17 0.00 0.00 0.00 0.00 37.83 35.36 2qbk s LYS 9 CO -0.10 0.63 0.51 -0.51 0.00 0.00 0.00 175.35 175.88 2qbk s LEU 10 N -0.71 5.85 0.67 2.77 1.02 -0.31 -4.17 118.68 123.80 2qbk s LEU 10 Ca 0.11 -2.50 -0.15 0.00 0.02 0.00 0.00 54.13 51.60 2qbk s LEU 10 Cb -0.11 -2.01 0.01 0.00 0.02 0.00 0.00 46.19 44.09 2qbk s LEU 10 CO 0.02 -0.54 1.15 -0.69 0.02 0.00 0.00 176.35 176.31 2qbk s VAL 11 N 0.47 2.87 -0.17 -1.59 1.01 -0.28 -1.22 120.40 121.48 2qbk s VAL 11 Ca 0.14 0.43 -0.19 0.00 0.00 0.00 0.00 61.98 62.35 2qbk s VAL 11 Cb -0.19 -2.97 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 2qbk s VAL 11 CO -0.04 -0.23 0.54 -0.55 0.00 0.00 0.00 175.10 174.82 2qbk s SER 12 N -2.28 6.64 0.44 3.32 0.15 -1.04 -1.02 113.70 119.91 2qbk s SER 12 Ca 0.70 0.77 0.19 0.00 0.70 0.00 0.00 55.95 58.31 2qbk s SER 12 Cb -0.24 -2.31 1.14 0.00 -1.71 0.00 0.00 66.02 62.89 2qbk s SER 12 CO 0.41 -0.16 1.87 0.77 1.20 0.00 0.00 173.24 177.34 2qbk h SER 13 N 7.27 0.34 -4.03 5.45 4.64 -1.49 -3.41 113.55 122.33 2qbk h SER 13 Ca -0.35 0.03 -0.53 0.00 -0.47 0.00 0.00 61.79 60.48 2qbk h SER 13 Cb 1.16 -0.03 0.10 0.00 -0.31 0.00 0.00 62.40 63.32 2qbk h SER 13 CO 0.75 0.14 0.54 0.00 -0.87 0.00 0.00 176.83 177.39 2qbk s ALA 14 N -5.36 2.87 0.60 5.18 0.00 -1.26 -4.86 121.76 118.93 2qbk s ALA 14 Ca -0.08 1.12 0.28 0.00 0.00 0.00 0.00 51.96 53.27 2qbk s ALA 14 Cb 0.22 -3.47 1.30 0.00 0.00 0.00 0.00 23.12 21.17 2qbk s ALA 14 CO 0.78 -1.02 1.71 0.78 0.00 0.00 0.00 175.76 178.01 2qbk h GLY 15 N 1.68 0.00 -3.68 0.00 0.00 -2.02 -3.43 103.07 95.63 2qbk h GLY 15 Ca -0.50 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.25 2qbk h GLY 15 CO 0.58 0.00 0.18 -0.37 0.00 0.00 0.00 176.54 176.93 2qbk n THR 16 N -3.46 2.52 0.58 4.70 5.66 -1.26 -4.87 114.28 118.15 2qbk n THR 16 Ca 0.11 -0.50 0.02 0.00 -3.05 0.00 0.00 64.05 60.63 2qbk n THR 16 Cb 0.88 -1.18 0.09 0.00 -1.55 0.00 0.00 70.33 68.58 2qbk n THR 16 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2qbk n GLY 17 N 1.17 1.81 3.83 1.09 0.00 -1.26 -4.58 105.19 107.25 2qbk n GLY 17 Ca 0.09 -0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 2qbk n GLY 17 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2qbk s HIS 18 N -1.40 3.21 0.03 1.61 5.65 -1.26 -4.95 115.29 118.17 2qbk s HIS 18 Ca 0.12 1.45 -0.28 0.00 0.25 0.00 0.00 55.06 56.60 2qbk s HIS 18 Cb 0.09 -2.89 0.09 0.00 -1.18 0.00 0.00 32.58 28.70 2qbk s HIS 18 CO 0.04 -0.93 0.90 -0.59 -0.65 0.00 0.00 174.74 173.51 2qbk s PHE 19 N -2.76 -0.31 0.55 3.88 -0.71 -1.26 -2.48 117.98 114.89 2qbk s PHE 19 Ca 0.60 0.14 0.06 0.00 -1.04 0.00 0.00 56.93 56.69 2qbk s PHE 19 Cb -0.13 0.56 0.05 0.00 -1.21 0.00 0.00 43.02 42.28 2qbk s PHE 19 CO 0.43 -0.60 0.47 0.71 -1.34 0.00 0.00 175.22 174.89 2qbk s TYR 20 N -3.15 1.58 -0.12 3.49 2.02 -0.36 -4.89 117.35 115.92 2qbk s TYR 20 Ca 0.06 -0.82 -0.06 0.00 -0.37 0.00 0.00 57.07 55.88 2qbk s TYR 20 Cb -0.01 -1.96 0.05 0.00 -0.40 0.00 0.00 41.96 39.64 2qbk s TYR 20 CO -0.07 -0.59 0.28 -0.08 -1.57 0.00 0.00 175.55 173.52 2qbk s THR 21 N -2.76 -0.05 0.24 -0.71 -1.32 -1.26 -1.16 115.64 108.62 2qbk s THR 21 Ca 0.39 0.14 -0.22 0.00 -1.21 0.00 0.00 61.69 60.79 2qbk s THR 21 Cb -0.03 -0.43 0.03 0.00 -1.51 0.00 0.00 72.50 70.56 2qbk s THR 21 CO 0.24 0.06 0.74 0.28 -2.21 0.00 0.00 174.62 173.73 2qbk s THR 22 N 1.33 0.00 0.34 5.08 -1.32 -0.02 -4.99 115.64 116.06 2qbk s THR 22 Ca -0.09 -0.81 0.06 0.00 -1.21 0.00 0.00 61.69 59.64 2qbk s THR 22 Cb -0.10 -1.85 -0.01 0.00 -1.51 0.00 0.00 72.50 69.03 2qbk s THR 22 CO -0.10 0.00 0.48 0.42 -2.21 0.00 0.00 174.62 173.21 2qbk s THR 23 N -3.80 4.19 0.14 5.08 -4.23 -1.26 0.13 115.64 115.89 2qbk s THR 23 Ca 0.10 -0.94 -0.12 0.00 -1.18 0.00 0.00 61.69 59.54 2qbk s THR 23 Cb -0.05 -3.46 0.01 0.00 1.34 0.00 0.00 72.50 70.34 2qbk s THR 23 CO 0.03 -0.19 0.33 -0.75 -0.54 0.00 0.00 174.62 173.50 2qbk s LYS 24 N -4.19 1.10 -0.80 3.99 2.20 0.66 -4.87 119.74 117.83 2qbk s LYS 24 Ca 0.44 -0.95 0.02 0.00 -0.36 0.00 0.00 55.97 55.12 2qbk s LYS 24 Cb -0.10 0.42 0.30 0.00 -1.51 0.00 0.00 37.83 36.94 2qbk s LYS 24 CO 0.32 -0.41 1.18 -1.71 -0.36 0.00 0.00 175.35 174.37 2qbk n ASN 25 N -0.20 5.29 -0.52 1.43 2.85 -1.26 -2.42 115.26 120.42 2qbk n ASN 25 Ca -0.12 -3.55 0.44 0.00 -0.11 0.00 0.00 54.58 51.24 2qbk n ASN 25 Cb 0.63 -0.88 0.74 0.00 1.24 0.00 0.00 39.78 41.51 2qbk n ASN 25 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 2qbk h LYS 26 N 4.15 0.00 -0.45 1.20 1.63 -1.79 0.39 116.57 121.70 2qbk h LYS 26 Ca 0.25 0.00 0.13 0.00 -0.85 0.00 0.00 60.65 60.18 2qbk h LYS 26 Cb 0.54 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.15 2qbk h LYS 26 CO 1.02 0.00 0.36 0.00 -3.45 0.00 0.00 179.45 177.38 2qbk h ARG 27 N 0.00 0.00 0.00 1.90 2.47 -1.90 -2.95 114.38 113.91 2qbk h ARG 27 Ca 0.77 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.49 2qbk h ARG 27 Cb 3.27 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 31.59 2qbk h ARG 27 CO -0.01 0.00 0.00 0.25 0.56 0.00 0.00 179.97 180.77 2qbk n THR 28 N -4.17 0.00 -3.16 2.04 -2.24 0.12 -4.89 114.28 101.99 2qbk n THR 28 Ca 0.08 -0.22 -0.23 0.00 -2.27 0.00 0.00 64.05 61.41 2qbk n THR 28 Cb 0.56 1.53 -0.05 0.00 -2.10 0.00 0.00 70.33 70.27 2qbk n THR 28 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2qbk n LYS 29 N -0.02 1.74 0.00 -0.78 4.76 -0.54 -4.93 118.16 118.39 2qbk n LYS 29 Ca 0.00 -3.93 0.02 0.00 -2.87 0.00 0.00 58.31 51.54 2qbk n LYS 29 Cb 0.13 -1.82 0.13 0.00 -1.84 0.00 0.00 35.03 31.63 2qbk n LYS 29 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 2qbk n PRO 30 N 0.46 0.13 -2.99 1.97 -0.02 -1.23 -4.50 135.00 128.82 2qbk n PRO 30 Ca 0.26 0.05 -0.41 0.00 -2.02 0.00 0.00 63.50 61.39 2qbk n PRO 30 Cb 0.53 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.45 2qbk n PRO 30 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 2qbk s GLU 31 N -2.13 4.14 -0.05 -0.52 1.03 -1.26 -4.98 118.70 114.94 2qbk s GLU 31 Ca 0.06 0.76 -0.33 0.00 0.03 0.00 0.00 54.97 55.49 2qbk s GLU 31 Cb 0.03 -3.65 -0.11 0.00 -0.80 0.00 0.00 34.13 29.60 2qbk s GLU 31 CO 0.06 -0.48 1.92 1.63 -1.33 0.00 0.00 175.26 177.05 2qbk n LYS 32 N 5.89 2.43 -2.26 -4.83 4.01 -1.26 -4.77 118.16 117.37 2qbk n LYS 32 Ca 0.03 0.89 -0.41 0.00 -0.51 0.00 0.00 58.31 58.31 2qbk n LYS 32 Cb 0.48 -2.78 -0.03 0.00 -0.51 0.00 0.00 35.03 32.19 2qbk n LYS 32 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 2qbk s LEU 33 N 4.25 4.47 -0.00 -0.35 2.96 -0.28 -4.84 118.68 124.89 2qbk s LEU 33 Ca 0.92 2.48 -0.02 0.00 -0.22 0.00 0.00 54.13 57.29 2qbk s LEU 33 Cb -0.60 -3.63 -0.00 0.00 0.50 0.00 0.00 46.19 42.45 2qbk s LEU 33 CO 0.48 -0.40 0.03 -1.61 -1.32 0.00 0.00 176.35 173.53 2qbk s GLU 34 N -1.28 0.20 0.00 1.98 2.02 -1.26 -3.53 118.70 116.83 2qbk s GLU 34 Ca 0.49 -0.24 0.00 0.00 0.02 0.00 0.00 54.97 55.25 2qbk s GLU 34 Cb -0.36 0.08 0.00 0.00 0.10 0.00 0.00 34.13 33.94 2qbk s GLU 34 CO 0.45 -0.04 0.00 1.47 0.02 0.00 0.00 175.26 177.17 2qbk n LEU 35 N 2.34 0.00 -1.51 1.80 -0.00 -1.14 -5.00 117.00 113.49 2qbk n LEU 35 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.83 2qbk n LEU 35 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.00 2qbk n LEU 35 CO 0.23 0.00 -0.38 0.29 -0.00 0.00 0.00 177.39 177.53 2qbk n LYS 36 N 0.00 -4.15 -0.84 1.47 5.02 -1.26 -4.86 118.16 113.53 2qbk n LYS 36 Ca 0.00 3.01 0.00 0.00 -2.02 0.00 0.00 58.31 59.30 2qbk n LYS 36 Cb 0.00 -3.27 0.00 0.00 -0.02 0.00 0.00 35.03 31.74 2qbk n LYS 36 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2qbk n LYS 37 N 0.51 0.00 -3.43 1.97 5.02 0.32 -4.83 118.16 117.72 2qbk n LYS 37 Ca 0.00 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.91 2qbk n LYS 37 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 34.95 2qbk n LYS 37 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 2qbk s PHE 38 N -3.83 3.57 -0.58 2.13 5.36 -1.26 -0.18 117.98 123.19 2qbk s PHE 38 Ca 0.00 0.86 -0.06 0.00 -0.96 0.00 0.00 56.93 56.76 2qbk s PHE 38 Cb 0.00 -2.41 0.15 0.00 -0.34 0.00 0.00 43.02 40.42 2qbk s PHE 38 CO 0.00 0.34 0.43 0.34 -1.46 0.00 0.00 175.22 174.87 2qbk s ASP 39 N 0.02 5.58 0.37 6.13 -1.08 -1.21 -4.94 116.67 121.53 2qbk s ASP 39 Ca 0.23 -2.46 0.18 0.00 -0.52 0.00 0.00 52.55 49.98 2qbk s ASP 39 Cb -0.15 -1.94 1.16 0.00 -1.46 0.00 0.00 42.92 40.53 2qbk s ASP 39 CO 0.10 -0.51 1.67 -0.65 0.52 0.00 0.00 175.17 176.29 2qbk h PRO 40 N 7.66 0.27 0.05 4.34 0.11 -1.95 1.39 132.00 143.87 2qbk h PRO 40 Ca -0.07 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.03 2qbk h PRO 40 Cb 1.01 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.06 2qbk h PRO 40 CO 0.75 0.18 -0.03 0.28 -0.21 0.00 0.00 178.00 178.98 2qbk h VAL 41 N 0.28 1.00 -0.02 3.15 2.07 -1.98 -2.85 116.25 117.90 2qbk h VAL 41 Ca 0.74 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 68.08 2qbk h VAL 41 Cb 1.84 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 32.73 2qbk h VAL 41 CO -0.54 0.05 -0.09 0.52 0.02 0.00 0.00 177.57 177.53 2qbk n VAL 42 N -5.08 0.00 -4.10 2.57 0.31 -0.38 -4.96 118.33 106.68 2qbk n VAL 42 Ca -0.08 -0.29 -0.34 0.00 -0.01 0.00 0.00 64.34 63.62 2qbk n VAL 42 Cb 0.09 0.79 -0.03 0.00 -0.91 0.00 0.00 33.84 33.78 2qbk n VAL 42 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2qbk n ARG 43 N 0.30 -1.32 -3.61 5.55 1.74 0.46 -4.95 116.66 114.83 2qbk n ARG 43 Ca 0.16 0.20 -0.03 0.00 -0.77 0.00 0.00 57.85 57.40 2qbk n ARG 43 Cb 0.42 -3.56 -0.06 0.00 -1.02 0.00 0.00 32.46 28.24 2qbk n ARG 43 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2qbk s GLN 44 N -7.06 0.51 0.05 5.56 -1.52 -1.18 -4.97 119.66 111.05 2qbk s GLN 44 Ca 0.19 0.98 -0.34 0.00 -1.95 0.00 0.00 55.36 54.24 2qbk s GLN 44 Cb -0.09 0.24 -0.13 0.00 -0.22 0.00 0.00 33.01 32.81 2qbk s GLN 44 CO 0.95 -0.12 1.73 0.72 -0.25 0.00 0.00 175.29 178.31 2qbk n HIS 45 N 4.30 2.32 -4.10 0.91 8.25 -1.26 -3.32 115.22 122.32 2qbk n HIS 45 Ca -0.17 0.12 -0.11 0.00 -0.26 0.00 0.00 57.72 57.30 2qbk n HIS 45 Cb 0.56 -2.61 -0.08 0.00 1.12 0.00 0.00 29.99 28.99 2qbk n HIS 45 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2qbk s VAL 46 N 2.40 0.02 0.14 1.59 0.11 0.75 -4.92 120.40 120.48 2qbk s VAL 46 Ca 0.85 -1.73 -0.31 0.00 -2.93 0.00 0.00 61.98 57.86 2qbk s VAL 46 Cb -0.67 -2.29 -0.08 0.00 -1.53 0.00 0.00 36.38 31.81 2qbk s VAL 46 CO 0.44 -0.07 1.35 -0.63 -3.33 0.00 0.00 175.10 172.86 2qbk s ILE 47 N -4.08 3.30 -0.19 7.04 1.09 -1.26 -0.52 121.20 126.57 2qbk s ILE 47 Ca 0.30 0.97 -0.03 0.00 -1.10 0.00 0.00 60.65 60.79 2qbk s ILE 47 Cb 0.04 -3.62 -0.01 0.00 -1.06 0.00 0.00 42.46 37.81 2qbk s ILE 47 CO 0.09 0.10 -0.07 -0.31 -0.10 0.00 0.00 174.94 174.65 2qbk s TYR 48 N 0.76 2.93 0.00 3.97 2.02 -1.26 -1.17 117.35 124.60 2qbk s TYR 48 Ca 0.62 -0.78 0.00 0.00 -0.37 0.00 0.00 57.07 56.54 2qbk s TYR 48 Cb -0.36 -2.02 0.00 0.00 -0.40 0.00 0.00 41.96 39.18 2qbk s TYR 48 CO 0.33 -0.39 0.00 1.17 -1.57 0.00 0.00 175.55 175.09 2qbk n LYS 49 N 4.29 1.59 -1.93 -0.62 3.00 -0.19 -2.86 118.16 121.44 2qbk n LYS 49 Ca -0.18 0.00 -0.00 0.00 -0.00 0.00 0.00 58.31 58.13 2qbk n LYS 49 Cb 0.52 0.00 -0.00 0.00 0.00 0.00 0.00 35.03 35.54 2qbk n LYS 49 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2qbk n GLU 50 N -0.42 -3.49 0.00 1.64 4.07 -1.23 -1.13 120.64 120.08 2qbk n GLU 50 Ca 0.00 2.70 0.00 0.00 -0.06 0.00 0.00 57.16 59.80 2qbk n GLU 50 Cb 0.00 -3.37 0.00 0.00 -0.06 0.00 0.00 31.44 28.01 2qbk n GLU 50 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2qbk n ALA 51 N 1.23 0.00 0.00 4.31 0.00 -1.26 -3.87 120.51 120.93 2qbk n ALA 51 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2qbk n ALA 51 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.47 2qbk n ALA 51 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13