#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u7j n ASP 2 N 0.00 0.00 -0.09 6.12 5.68 -1.26 -5.06 116.55 121.94 1u7j n ASP 2 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 54.79 54.28 1u7j n ASP 2 Cb 0.00 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1u7j n ASP 2 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 1u7j n TYR 3 N 0.00 0.00 -0.14 2.11 4.01 -1.26 -4.91 117.16 116.97 1u7j n TYR 3 Ca 0.00 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.88 1u7j n TYR 3 Cb 0.00 -1.39 0.49 0.00 -0.31 0.00 0.00 39.34 38.13 1u7j n TYR 3 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 1u7j h LEU 4 N 0.00 0.41 -0.63 7.72 3.38 -1.97 -2.70 115.31 121.53 1u7j h LEU 4 Ca -0.02 0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.98 1u7j h LEU 4 Cb 0.67 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.31 1u7j h LEU 4 CO 0.03 0.23 0.40 -0.09 0.09 0.00 0.00 178.44 179.10 1u7j h ARG 5 N 0.44 0.78 -0.22 1.13 2.43 -1.98 0.97 114.38 117.93 1u7j h ARG 5 Ca 0.34 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.41 1u7j h ARG 5 Cb 0.72 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 1u7j h ARG 5 CO -0.11 0.51 -0.10 0.93 -1.51 0.00 0.00 179.97 179.69 1u7j h GLU 6 N 0.80 0.35 -0.18 0.20 5.08 -1.89 -1.10 114.58 117.84 1u7j h GLU 6 Ca 0.24 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.46 1u7j h GLU 6 Cb -0.03 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 1u7j h GLU 6 CO -0.08 0.47 -0.12 -0.07 -1.00 0.00 0.00 179.01 178.21 1u7j h LEU 7 N 0.33 0.41 -0.40 1.33 3.38 -1.31 -2.86 115.31 116.20 1u7j h LEU 7 Ca 0.07 -0.44 0.08 0.00 0.09 0.00 0.00 57.88 57.68 1u7j h LEU 7 Cb 0.40 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 40.95 1u7j h LEU 7 CO 0.02 0.76 -0.15 0.22 0.09 0.00 0.00 178.44 179.39 1u7j h TYR 8 N 0.07 -0.36 0.00 1.13 5.03 -0.67 0.24 116.97 122.41 1u7j h TYR 8 Ca 0.04 0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.39 1u7j h TYR 8 Cb 0.62 0.22 0.00 0.00 1.55 0.00 0.00 36.73 39.12 1u7j h TYR 8 CO 0.07 -0.23 0.00 1.63 -1.32 0.00 0.00 178.16 178.31 1u7j n LYS 9 N -5.35 0.29 0.00 1.82 4.76 -0.43 -2.34 118.16 116.92 1u7j n LYS 9 Ca 0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 1u7j n LYS 9 Cb 0.26 -1.36 0.00 0.00 -1.84 0.00 0.00 35.03 32.09 1u7j n LYS 9 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1u7j n LEU 10 N -0.86 1.91 0.10 -0.35 4.77 -0.31 -4.68 117.00 117.59 1u7j n LEU 10 Ca 0.05 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.98 1u7j n LEU 10 Cb 0.02 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.15 1u7j n LEU 10 CO 0.04 0.32 0.33 -0.33 -1.33 0.00 0.00 177.39 176.42 1u7j h GLU 11 N 0.00 0.04 0.00 3.23 4.39 -0.52 -0.33 114.58 121.38 1u7j h GLU 11 Ca 0.00 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1u7j h GLU 11 Cb 0.87 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.53 1u7j h GLU 11 CO 0.00 0.81 0.00 1.04 -1.16 0.00 0.00 179.01 179.70 1u7j n GLN 12 N -3.63 0.91 0.00 2.33 1.13 -0.99 -4.27 117.38 112.86 1u7j n GLN 12 Ca -0.01 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.05 1u7j n GLN 12 Cb 0.76 -1.16 0.00 0.00 0.11 0.00 0.00 30.24 29.95 1u7j n GLN 12 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1u7j n GLN 13 N -0.66 0.00 -0.49 -1.09 6.02 -0.85 -4.40 117.38 115.92 1u7j n GLN 13 Ca 0.07 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.92 1u7j n GLN 13 Cb 0.03 -0.60 -0.01 0.00 1.02 0.00 0.00 30.24 30.68 1u7j n GLN 13 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1u7j n ALA 14 N -2.43 3.46 0.04 -1.58 0.00 -0.19 -3.48 120.51 116.34 1u7j n ALA 14 Ca 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 53.44 52.13 1u7j n ALA 14 Cb 0.32 -2.81 0.00 0.00 0.00 0.00 0.00 19.45 16.95 1u7j n ALA 14 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1u7j n MET 15 N 4.41 0.00 -0.25 0.00 0.00 -1.26 -4.88 117.12 115.14 1u7j n MET 15 Ca 0.29 0.00 -0.06 0.00 0.00 0.00 0.00 57.70 57.93 1u7j n MET 15 Cb 0.09 0.00 0.05 0.00 0.00 0.00 0.00 33.22 33.36 1u7j n MET 15 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 1u7j h LYS 16 N 0.00 0.99 -0.03 2.12 3.64 -1.76 -1.32 116.57 120.20 1u7j h LYS 16 Ca 0.00 -0.14 -0.15 0.00 -1.27 0.00 0.00 60.65 59.10 1u7j h LYS 16 Cb 0.00 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.62 1u7j h LYS 16 CO 0.00 0.77 -0.66 -0.07 -2.27 0.00 0.00 179.45 177.22 1u7j h LEU 17 N 0.96 0.17 0.50 5.20 4.07 -1.94 -1.94 115.31 122.32 1u7j h LEU 17 Ca 0.24 -0.10 -0.02 0.00 0.08 0.00 0.00 57.88 58.07 1u7j h LEU 17 Cb 0.09 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 41.79 1u7j h LEU 17 CO -0.03 0.78 -0.24 1.88 -1.08 0.00 0.00 178.44 179.74 1u7j h TYR 18 N 0.10 -0.62 -0.70 1.13 0.05 -1.74 -0.80 116.97 114.38 1u7j h TYR 18 Ca -0.01 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.75 1u7j h TYR 18 Cb 1.17 0.20 -0.03 0.00 1.01 0.00 0.00 36.73 39.08 1u7j h TYR 18 CO 0.01 -0.38 0.44 0.07 -1.05 0.00 0.00 178.16 177.25 1u7j h ARG 19 N -0.67 0.94 0.15 4.88 0.11 -1.22 -0.22 114.38 118.36 1u7j h ARG 19 Ca -0.07 -0.07 -0.01 0.00 0.10 0.00 0.00 59.98 59.93 1u7j h ARG 19 Cb 0.51 -0.20 0.00 0.00 1.11 0.00 0.00 29.97 31.39 1u7j h ARG 19 CO 0.11 0.65 -0.07 1.49 0.10 0.00 0.00 179.97 182.25 1u7j h GLU 20 N 0.96 -0.19 -0.38 0.08 4.22 -1.20 -0.61 114.58 117.46 1u7j h GLU 20 Ca 0.26 0.01 -0.04 0.00 0.08 0.00 0.00 59.36 59.67 1u7j h GLU 20 Cb -0.07 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1u7j h GLU 20 CO -0.05 -0.11 0.10 0.00 -2.18 0.00 0.00 179.01 176.76 1u7j h ALA 21 N 0.63 0.50 -0.57 2.92 0.00 -1.01 -3.21 119.26 118.53 1u7j h ALA 21 Ca -0.02 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 1u7j h ALA 21 Cb 0.17 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1u7j h ALA 21 CO 0.03 0.18 0.11 1.03 0.00 0.00 0.00 179.25 180.60 1u7j h SER 22 N 0.47 0.86 -0.30 0.00 0.87 -0.94 0.19 113.55 114.70 1u7j h SER 22 Ca 0.12 -0.18 0.09 0.00 -1.23 0.00 0.00 61.79 60.59 1u7j h SER 22 Cb 0.30 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 1u7j h SER 22 CO 0.00 0.86 0.24 -0.08 -0.53 0.00 0.00 176.83 177.32 1u7j h GLU 23 N 0.86 0.00 0.00 2.24 4.81 -1.11 -3.19 114.58 118.20 1u7j h GLU 23 Ca 0.18 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1u7j h GLU 23 Cb 0.36 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.74 1u7j h GLU 23 CO 0.01 0.00 -0.09 0.00 -0.73 0.00 0.00 179.01 178.19 1u7j h ARG 24 N 0.00 0.00 0.00 1.92 3.08 -1.49 -3.51 114.38 114.38 1u7j h ARG 24 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1u7j h ARG 24 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.67 1u7j h ARG 24 CO -0.00 0.00 0.00 0.28 -1.07 0.00 0.00 179.97 179.18 1u7j n VAL 25 N -2.70 0.00 -0.39 2.04 0.31 -0.01 -5.07 118.33 112.51 1u7j n VAL 25 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1u7j n VAL 25 Cb 0.05 -0.02 0.00 0.00 -0.91 0.00 0.00 33.84 32.96 1u7j n VAL 25 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1u7j n GLY 26 N -0.23 0.60 0.87 2.92 0.00 -0.79 -4.36 105.19 104.21 1u7j n GLY 26 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1u7j n GLY 26 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1u7j n ASP 27 N 0.00 -5.28 0.28 1.61 -0.08 -1.26 -4.46 116.55 107.36 1u7j n ASP 27 Ca 0.00 0.66 0.19 0.00 -1.51 0.00 0.00 54.79 54.13 1u7j n ASP 27 Cb 0.00 -2.03 1.03 0.00 2.34 0.00 0.00 41.12 42.45 1u7j n ASP 27 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1u7j h PRO 28 N 1.12 0.00 0.00 -0.67 0.13 -2.00 -0.94 132.00 129.64 1u7j h PRO 28 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 1u7j h PRO 28 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 1u7j h PRO 28 CO 0.00 0.00 -0.15 -0.24 -0.23 0.00 0.00 178.00 177.38 1u7j h VAL 29 N 0.00 0.63 -0.86 1.56 3.04 -1.94 -2.91 116.25 115.77 1u7j h VAL 29 Ca 0.00 -0.66 0.02 0.00 -1.01 0.00 0.00 66.70 65.05 1u7j h VAL 29 Cb 0.00 1.42 -0.05 0.00 -2.01 0.00 0.00 31.29 30.66 1u7j h VAL 29 CO 0.00 0.15 0.56 0.25 -1.01 0.00 0.00 177.57 177.52 1u7j h LEU 30 N 0.00 0.95 0.00 3.16 6.46 -1.38 0.42 115.31 124.92 1u7j h LEU 30 Ca -0.00 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 1u7j h LEU 30 Cb 0.41 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 40.12 1u7j h LEU 30 CO 0.02 0.66 0.00 0.00 -0.62 0.00 0.00 178.44 178.50 1u7j n ALA 31 N -2.34 1.74 -0.02 1.25 0.00 -1.10 -1.74 120.51 118.31 1u7j n ALA 31 Ca 0.10 -0.04 -0.02 0.00 0.00 0.00 0.00 53.44 53.49 1u7j n ALA 31 Cb 0.06 -1.11 -0.02 0.00 0.00 0.00 0.00 19.45 18.38 1u7j n ALA 31 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1u7j n LYS 32 N -0.99 3.10 -0.12 0.00 3.00 -0.26 -4.52 118.16 118.36 1u7j n LYS 32 Ca 0.05 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.27 1u7j n LYS 32 Cb 0.02 -1.08 -0.01 0.00 0.00 0.00 0.00 35.03 33.97 1u7j n LYS 32 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 1u7j h ILE 33 N 0.00 1.15 0.00 3.15 2.04 -0.29 -2.31 117.51 121.26 1u7j h ILE 33 Ca -0.08 -0.41 -0.02 0.00 1.00 0.00 0.00 64.86 65.34 1u7j h ILE 33 Cb 1.18 0.73 -0.00 0.00 -0.74 0.00 0.00 36.82 37.99 1u7j h ILE 33 CO 0.00 0.16 -0.11 0.17 0.00 0.00 0.00 178.15 178.37 1u7j h LEU 34 N 0.48 0.00 -0.25 1.44 8.10 -1.61 -1.42 115.31 122.05 1u7j h LEU 34 Ca 0.13 0.00 -0.09 0.00 0.11 0.00 0.00 57.88 58.03 1u7j h LEU 34 Cb 0.08 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.29 1u7j h LEU 34 CO -0.02 0.11 -0.22 -0.33 -4.11 0.00 0.00 178.44 173.87 1u7j h GLU 35 N 0.00 0.58 -0.37 0.17 4.39 -1.71 -2.22 114.58 115.41 1u7j h GLU 35 Ca -0.00 -0.30 0.02 0.00 0.34 0.00 0.00 59.36 59.42 1u7j h GLU 35 Cb 0.38 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.01 1u7j h GLU 35 CO 0.01 0.89 0.22 -0.44 -1.16 0.00 0.00 179.01 178.53 1u7j h ASP 36 N 0.29 0.36 0.46 1.42 3.32 -0.87 -2.42 116.42 118.99 1u7j h ASP 36 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1u7j h ASP 36 Cb 0.76 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.24 1u7j h ASP 36 CO 0.06 0.26 0.00 -0.62 -1.72 0.00 0.00 179.24 177.21 1u7j n GLU 37 N -4.88 0.09 0.00 3.56 -0.58 -0.59 -2.95 120.64 115.29 1u7j n GLU 37 Ca 0.01 0.39 -0.12 0.00 -0.42 0.00 0.00 57.16 57.01 1u7j n GLU 37 Cb 0.06 -1.69 -0.10 0.00 -0.57 0.00 0.00 31.44 29.14 1u7j n GLU 37 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 1u7j h GLU 38 N 0.00 -0.08 -0.46 3.49 4.81 -0.87 -3.30 114.58 118.17 1u7j h GLU 38 Ca 0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1u7j h GLU 38 Cb 0.23 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 1u7j h GLU 38 CO 0.00 0.47 0.29 0.87 -0.73 0.00 0.00 179.01 179.91 1u7j h LYS 39 N -0.72 0.60 0.00 1.92 6.56 -1.54 -2.12 116.57 121.27 1u7j h LYS 39 Ca -0.01 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.54 1u7j h LYS 39 Cb 0.59 -0.13 0.00 0.00 -0.57 0.00 0.00 32.23 32.12 1u7j h LYS 39 CO 0.01 0.41 0.00 0.72 -2.06 0.00 0.00 179.45 178.53 1u7j n HIS 40 N -4.46 0.00 -0.03 -1.35 8.25 -1.16 -1.61 115.22 114.86 1u7j n HIS 40 Ca 0.04 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.47 1u7j n HIS 40 Cb 0.06 -0.26 -0.04 0.00 1.12 0.00 0.00 29.99 30.87 1u7j n HIS 40 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 1u7j n ILE 41 N -1.26 0.38 -0.00 1.59 0.13 -0.81 -4.06 119.36 115.34 1u7j n ILE 41 Ca 0.02 -0.22 -0.13 0.00 -1.10 0.00 0.00 62.75 61.32 1u7j n ILE 41 Cb 0.03 -0.84 -0.09 0.00 -0.84 0.00 0.00 39.64 37.89 1u7j n ILE 41 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 1u7j h GLU 42 N 0.00 0.00 -0.44 9.51 5.08 -1.42 -2.61 114.58 124.70 1u7j h GLU 42 Ca -0.15 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 1u7j h GLU 42 Cb 1.33 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.55 1u7j h GLU 42 CO 0.00 0.40 0.24 -1.49 -1.00 0.00 0.00 179.01 177.17 1u7j h TRP 43 N -0.39 0.57 0.59 4.33 6.55 -1.58 -2.33 115.95 123.69 1u7j h TRP 43 Ca 0.00 0.00 -0.02 0.00 0.95 0.00 0.00 58.89 59.82 1u7j h TRP 43 Cb 0.40 -0.19 -0.01 0.00 -0.86 0.00 0.00 29.16 28.50 1u7j h TRP 43 CO 0.06 0.40 -0.42 1.25 -1.05 0.00 0.00 178.44 178.68 1u7j h LEU 44 N 0.60 -1.09 -0.59 -4.49 6.46 -1.67 -2.84 115.31 111.68 1u7j h LEU 44 Ca 0.16 0.07 -0.13 0.00 -0.12 0.00 0.00 57.88 57.86 1u7j h LEU 44 Cb 0.01 0.34 -0.01 0.00 -0.73 0.00 0.00 40.66 40.26 1u7j h LEU 44 CO -0.03 -0.62 -0.24 -0.08 -0.62 0.00 0.00 178.44 176.85 1u7j h GLU 45 N -0.97 0.86 -0.10 1.25 4.81 -1.46 -2.91 114.58 116.06 1u7j h GLU 45 Ca -0.07 -0.37 0.03 0.00 -0.13 0.00 0.00 59.36 58.82 1u7j h GLU 45 Cb 0.81 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.16 1u7j h GLU 45 CO 0.03 1.01 0.17 1.15 -0.73 0.00 0.00 179.01 180.63 1u7j h THR 46 N 0.74 0.30 -0.00 0.32 2.02 -1.38 -2.00 112.91 112.91 1u7j h THR 46 Ca 0.09 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.27 1u7j h THR 46 Cb 0.79 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 68.05 1u7j h THR 46 CO 0.07 0.00 -0.77 -0.38 0.37 0.00 0.00 175.52 174.81 1u7j n ILE 47 N -3.51 0.00 1.20 3.11 2.08 -1.08 -3.98 119.36 117.19 1u7j n ILE 47 Ca -0.00 -0.12 0.13 0.00 0.56 0.00 0.00 62.75 63.32 1u7j n ILE 47 Cb 0.26 1.01 0.36 0.00 -0.75 0.00 0.00 39.64 40.52 1u7j n ILE 47 CO 0.00 0.00 0.00 -3.20 0.56 0.00 0.00 176.55 173.91 1u7j n ASN 48 N -1.34 0.92 0.00 4.38 5.15 -0.76 -5.11 115.26 118.50 1u7j n ASN 48 Ca 0.03 -0.77 0.00 0.00 -0.60 0.00 0.00 54.58 53.25 1u7j n ASN 48 Cb 0.26 0.15 0.00 0.00 -0.53 0.00 0.00 39.78 39.67 1u7j n ASN 48 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27