#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 -0.01 3.17 5.75 -1.26 -4.92 116.55 119.29 1u7j n ASP 2 Ca 0.00 0.00 0.23 0.00 -0.01 0.00 0.00 54.79 55.01 1u7j n ASP 2 Cb 0.00 0.00 0.72 0.00 -1.03 0.00 0.00 41.12 40.81 1u7j n ASP 2 CO 0.00 0.00 0.00 1.88 -0.11 0.00 0.00 177.20 178.97 1u7j h TYR 3 N 0.00 0.00 -0.94 2.11 0.05 -2.03 -2.47 116.97 113.69 1u7j h TYR 3 Ca 0.00 0.00 0.23 0.00 0.05 0.00 0.00 58.73 59.01 1u7j h TYR 3 Cb 0.00 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 37.67 1u7j h TYR 3 CO 0.00 0.00 0.63 -0.07 -1.05 0.00 0.00 178.16 177.67 1u7j h LEU 4 N 0.00 0.34 -0.11 3.88 3.38 -1.92 0.76 115.31 121.65 1u7j h LEU 4 Ca 0.28 0.04 -0.15 0.00 0.09 0.00 0.00 57.88 58.15 1u7j h LEU 4 Cb 1.38 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 42.12 1u7j h LEU 4 CO -0.00 0.12 -0.51 -0.09 0.09 0.00 0.00 178.44 178.04 1u7j h ARG 5 N 0.33 0.54 -0.89 1.13 2.43 -1.84 -1.40 114.38 114.68 1u7j h ARG 5 Ca 0.49 -0.44 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 1u7j h ARG 5 Cb 1.35 0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 30.95 1u7j h ARG 5 CO -0.17 1.06 0.49 0.93 -1.51 0.00 0.00 179.97 180.77 1u7j h GLU 6 N 0.15 1.24 0.36 0.20 5.08 -1.47 -1.40 114.58 118.74 1u7j h GLU 6 Ca -0.03 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 1u7j h GLU 6 Cb 1.15 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 1u7j h GLU 6 CO 0.11 0.90 -0.25 -0.07 -1.00 0.00 0.00 179.01 178.70 1u7j h LEU 7 N 1.24 -0.63 -0.29 1.33 3.38 -0.90 -2.23 115.31 117.22 1u7j h LEU 7 Ca 0.31 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.39 1u7j h LEU 7 Cb 0.03 0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.90 1u7j h LEU 7 CO -0.05 -0.38 -0.17 0.22 0.09 0.00 0.00 178.44 178.14 1u7j h TYR 8 N -0.59 -0.43 0.00 1.13 5.03 -1.01 0.94 116.97 122.04 1u7j h TYR 8 Ca -0.03 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1u7j h TYR 8 Cb 0.50 0.23 0.00 0.00 1.55 0.00 0.00 36.73 39.02 1u7j h TYR 8 CO -0.12 -0.25 0.00 0.36 -1.32 0.00 0.00 178.16 176.84 1u7j n LYS 9 N -5.34 0.47 -0.11 1.82 -0.00 -0.55 -1.84 118.16 112.62 1u7j n LYS 9 Ca 0.00 0.04 -0.14 0.00 -0.00 0.00 0.00 58.31 58.21 1u7j n LYS 9 Cb 0.25 -1.50 -0.11 0.00 -0.00 0.00 0.00 35.03 33.67 1u7j n LYS 9 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1u7j n LEU 10 N -1.09 2.49 0.01 -5.58 4.77 -0.57 -4.33 117.00 112.69 1u7j n LEU 10 Ca 0.12 -0.10 -0.18 0.00 -0.03 0.00 0.00 56.01 55.82 1u7j n LEU 10 Cb 0.08 -0.58 -0.12 0.00 -2.33 0.00 0.00 43.42 40.48 1u7j n LEU 10 CO 0.11 0.80 0.24 -0.33 -1.33 0.00 0.00 177.39 176.88 1u7j h GLU 11 N 0.00 0.37 -0.18 3.23 4.39 -0.56 -0.56 114.58 121.28 1u7j h GLU 11 Ca -0.49 -0.42 -0.09 0.00 0.34 0.00 0.00 59.36 58.70 1u7j h GLU 11 Cb 1.82 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 30.58 1u7j h GLU 11 CO -0.06 1.10 -0.28 1.96 -1.16 0.00 0.00 179.01 180.57 1u7j h GLN 12 N -0.19 0.35 -0.61 2.33 1.08 -1.61 -1.18 115.11 115.28 1u7j h GLN 12 Ca -0.08 -0.13 -0.10 0.00 -1.45 0.00 0.00 58.65 56.89 1u7j h GLN 12 Cb 1.33 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.71 1u7j h GLN 12 CO 0.12 0.60 -0.00 1.96 -0.95 0.00 0.00 178.83 180.55 1u7j h GLN 13 N 0.31 1.09 -0.28 1.46 1.08 -1.74 -1.96 115.11 115.07 1u7j h GLN 13 Ca 0.04 -0.35 -0.05 0.00 -1.45 0.00 0.00 58.65 56.84 1u7j h GLN 13 Cb 0.66 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.98 1u7j h GLN 13 CO 0.05 1.06 -0.03 0.00 -0.95 0.00 0.00 178.83 178.96 1u7j h ALA 14 N 0.99 0.37 -0.89 3.87 0.00 -0.96 -3.23 119.26 119.41 1u7j h ALA 14 Ca 0.17 -0.25 0.13 0.00 0.00 0.00 0.00 54.91 54.96 1u7j h ALA 14 Cb 0.57 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.17 1u7j h ALA 14 CO 0.03 0.15 0.50 1.98 0.00 0.00 0.00 179.25 181.91 1u7j h MET 15 N 0.28 0.74 -0.98 0.00 1.85 -1.11 -0.63 114.93 115.08 1u7j h MET 15 Ca 0.07 -0.04 0.23 0.00 -0.61 0.00 0.00 59.70 59.35 1u7j h MET 15 Cb 0.48 -0.17 -0.08 0.00 0.43 0.00 0.00 31.60 32.26 1u7j h MET 15 CO 0.02 0.49 0.64 0.87 -0.40 0.00 0.00 176.91 178.53 1u7j h LYS 16 N 0.76 0.42 0.09 0.39 1.79 -1.37 -0.30 116.57 118.35 1u7j h LYS 16 Ca 0.46 -0.02 -0.36 0.00 -2.18 0.00 0.00 60.65 58.54 1u7j h LYS 16 Cb 0.55 -0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 31.08 1u7j h LYS 16 CO -0.31 0.27 -2.04 1.28 -1.08 0.00 0.00 179.45 177.58 1u7j n LEU 17 N -4.57 2.62 -0.27 2.94 4.77 -0.57 -3.47 117.00 118.45 1u7j n LEU 17 Ca 0.22 0.17 0.01 0.00 -0.03 0.00 0.00 56.01 56.38 1u7j n LEU 17 Cb 0.77 -1.06 0.14 0.00 -2.33 0.00 0.00 43.42 40.94 1u7j n LEU 17 CO 0.28 0.81 1.12 1.88 -1.33 0.00 0.00 177.39 180.15 1u7j h TYR 18 N -0.07 0.77 0.00 -1.77 0.05 -0.95 -1.79 116.97 113.22 1u7j h TYR 18 Ca -0.45 0.03 -0.09 0.00 0.05 0.00 0.00 58.73 58.26 1u7j h TYR 18 Cb 1.93 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 39.43 1u7j h TYR 18 CO 0.07 0.33 -0.45 0.07 -1.05 0.00 0.00 178.16 177.13 1u7j h ARG 19 N 0.74 0.00 -0.17 4.88 0.11 -1.21 -1.94 114.38 116.79 1u7j h ARG 19 Ca 0.36 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 60.35 1u7j h ARG 19 Cb 0.29 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.37 1u7j h ARG 19 CO -0.22 0.45 -0.23 1.49 0.10 0.00 0.00 179.97 181.56 1u7j h GLU 20 N 0.00 0.45 -0.46 0.08 4.57 -1.42 -0.58 114.58 117.22 1u7j h GLU 20 Ca -0.00 -0.26 -0.01 0.00 -1.18 0.00 0.00 59.36 57.90 1u7j h GLU 20 Cb 0.82 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.41 1u7j h GLU 20 CO 0.06 0.85 0.23 0.00 -1.18 0.00 0.00 179.01 178.96 1u7j h ALA 21 N 0.60 1.54 -0.42 2.92 0.00 -1.35 -1.20 119.26 121.35 1u7j h ALA 21 Ca 0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1u7j h ALA 21 Cb 0.79 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1u7j h ALA 21 CO 0.05 0.38 0.20 1.03 0.00 0.00 0.00 179.25 180.90 1u7j h SER 22 N 0.64 0.56 -0.33 0.00 0.87 -1.05 -1.84 113.55 112.39 1u7j h SER 22 Ca 0.16 -0.14 -0.06 0.00 -1.23 0.00 0.00 61.79 60.52 1u7j h SER 22 Cb 0.06 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.85 1u7j h SER 22 CO -0.02 0.54 0.01 -0.33 -0.53 0.00 0.00 176.83 176.50 1u7j h GLU 23 N 0.54 0.69 -0.52 2.24 4.39 -0.82 -1.85 114.58 119.24 1u7j h GLU 23 Ca 0.14 -0.17 -0.11 0.00 0.34 0.00 0.00 59.36 59.56 1u7j h GLU 23 Cb 0.14 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 1u7j h GLU 23 CO -0.02 0.70 -0.12 0.00 -1.16 0.00 0.00 179.01 178.41 1u7j h ARG 24 N 0.65 0.99 0.00 2.33 3.08 -1.05 -3.45 114.38 116.93 1u7j h ARG 24 Ca 0.13 -0.37 0.00 0.00 0.07 0.00 0.00 59.98 59.81 1u7j h ARG 24 Cb 0.40 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.38 1u7j h ARG 24 CO 0.01 1.05 0.00 0.28 -1.07 0.00 0.00 179.97 180.24 1u7j n VAL 25 N -4.14 0.00 0.00 2.04 0.31 -0.71 -5.10 118.33 110.73 1u7j n VAL 25 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 1u7j n VAL 25 Cb 0.41 -0.39 0.00 0.00 -0.91 0.00 0.00 33.84 32.95 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 0.82 2.52 1.70 2.92 0.00 -0.70 -4.98 105.19 107.46 1u7j n GLY 26 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1u7j n GLY 26 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1u7j n ASP 27 N 0.00 -4.35 -0.11 1.61 8.00 -1.26 -3.98 116.55 116.45 1u7j n ASP 27 Ca 0.00 1.18 -0.13 0.00 0.71 0.00 0.00 54.79 56.55 1u7j n ASP 27 Cb 0.00 -3.20 -0.03 0.00 -0.02 0.00 0.00 41.12 37.88 1u7j n ASP 27 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1u7j h PRO 28 N 2.54 0.90 0.00 -0.24 0.13 -2.00 -1.29 132.00 132.04 1u7j h PRO 28 Ca 0.00 -0.48 -0.08 0.00 -0.87 0.00 0.00 66.00 64.57 1u7j h PRO 28 Cb 0.00 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.14 1u7j h PRO 28 CO 0.00 1.13 -0.40 -0.24 -0.23 0.00 0.00 178.00 178.25 1u7j h VAL 29 N 0.71 0.82 -0.33 1.56 3.04 -2.00 -3.02 116.25 117.03 1u7j h VAL 29 Ca 0.06 -1.74 -0.10 0.00 -1.01 0.00 0.00 66.70 63.91 1u7j h VAL 29 Cb 0.96 2.10 -0.01 0.00 -2.01 0.00 0.00 31.29 32.34 1u7j h VAL 29 CO 0.09 0.40 -0.18 0.25 -1.01 0.00 0.00 177.57 177.12 1u7j h LEU 30 N 0.00 0.74 -0.95 3.16 6.46 -1.73 -1.01 115.31 121.98 1u7j h LEU 30 Ca -0.00 -0.41 0.06 0.00 -0.12 0.00 0.00 57.88 57.40 1u7j h LEU 30 Cb 1.07 -0.20 -0.06 0.00 -0.73 0.00 0.00 40.66 40.73 1u7j h LEU 30 CO 0.05 0.99 0.61 0.00 -0.62 0.00 0.00 178.44 179.47 1u7j h ALA 31 N 0.77 1.30 -0.63 1.25 0.00 -1.25 -1.39 119.26 119.31 1u7j h ALA 31 Ca 0.07 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1u7j h ALA 31 Cb 0.72 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1u7j h ALA 31 CO 0.05 0.40 0.07 -0.22 0.00 0.00 0.00 179.25 179.56 1u7j h LYS 32 N 1.12 1.05 -0.26 0.00 1.63 -1.37 -2.36 116.57 116.38 1u7j h LYS 32 Ca 0.41 -0.29 -0.00 0.00 -0.85 0.00 0.00 60.65 59.91 1u7j h LYS 32 Cb 0.14 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.64 1u7j h LYS 32 CO -0.17 0.98 0.16 0.82 -3.45 0.00 0.00 179.45 177.79 1u7j h ILE 33 N 0.98 1.10 -0.20 2.00 2.04 -0.74 -1.22 117.51 121.47 1u7j h ILE 33 Ca 0.19 -0.24 -0.05 0.00 1.00 0.00 0.00 64.86 65.75 1u7j h ILE 33 Cb 0.46 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 1u7j h ILE 33 CO 0.02 0.10 -0.12 0.17 0.00 0.00 0.00 178.15 178.31 1u7j h LEU 34 N 0.32 0.30 -0.68 1.44 8.10 -1.16 0.40 115.31 124.03 1u7j h LEU 34 Ca 0.09 -0.06 -0.10 0.00 0.11 0.00 0.00 57.88 57.92 1u7j h LEU 34 Cb 0.02 -0.08 -0.02 0.00 -0.44 0.00 0.00 40.66 40.14 1u7j h LEU 34 CO -0.02 0.45 -0.05 -0.33 -4.11 0.00 0.00 178.44 174.39 1u7j h GLU 35 N 0.30 0.97 -0.21 0.17 4.39 -1.23 -2.89 114.58 116.08 1u7j h GLU 35 Ca 0.06 -0.32 -0.18 0.00 0.34 0.00 0.00 59.36 59.26 1u7j h GLU 35 Cb 0.40 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 1u7j h GLU 35 CO 0.02 0.99 -0.57 -0.44 -1.16 0.00 0.00 179.01 177.86 1u7j h ASP 36 N 0.88 0.87 0.13 1.42 3.32 -0.65 -2.93 116.42 119.46 1u7j h ASP 36 Ca 0.15 -0.57 0.00 0.00 0.02 0.00 0.00 57.03 56.63 1u7j h ASP 36 Cb 0.59 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1u7j h ASP 36 CO 0.04 1.29 0.00 -0.62 -1.72 0.00 0.00 179.24 178.22 1u7j n GLU 37 N -4.07 0.07 -0.04 3.56 -0.58 0.08 -3.04 120.64 116.61 1u7j n GLU 37 Ca -0.06 0.26 -0.08 0.00 -0.42 0.00 0.00 57.16 56.86 1u7j n GLU 37 Cb 0.63 -1.50 -0.07 0.00 -0.57 0.00 0.00 31.44 29.93 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 -0.03 -0.99 3.49 4.22 -1.30 -3.35 114.58 116.62 1u7j h GLU 38 Ca 0.00 0.00 0.14 0.00 0.08 0.00 0.00 59.36 59.59 1u7j h GLU 38 Cb 0.06 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.23 1u7j h GLU 38 CO 0.00 0.52 0.62 0.87 -2.18 0.00 0.00 179.01 178.84 1u7j h LYS 39 N -0.98 0.86 0.00 1.92 6.56 -1.64 -1.69 116.57 121.60 1u7j h LYS 39 Ca -0.00 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.54 1u7j h LYS 39 Cb 0.56 -0.19 0.00 0.00 -0.57 0.00 0.00 32.23 32.03 1u7j h LYS 39 CO 0.01 0.57 0.05 0.72 -2.06 0.00 0.00 179.45 178.73 1u7j n HIS 40 N -4.65 0.00 -0.06 -1.35 8.25 -1.17 -1.15 115.22 115.09 1u7j n HIS 40 Ca 0.20 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.58 1u7j n HIS 40 Cb 0.44 -0.27 -0.06 0.00 1.12 0.00 0.00 29.99 31.21 1u7j n HIS 40 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1u7j n ILE 41 N -1.24 0.71 0.16 1.59 2.08 -0.64 -3.84 119.36 118.19 1u7j n ILE 41 Ca 0.00 -0.31 -0.14 0.00 0.56 0.00 0.00 62.75 62.86 1u7j n ILE 41 Cb 0.05 -0.90 -0.08 0.00 -0.75 0.00 0.00 39.64 37.96 1u7j n ILE 41 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 1u7j h GLU 42 N 0.00 -0.35 -0.33 0.38 5.08 -1.48 -2.89 114.58 114.99 1u7j h GLU 42 Ca -0.28 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 1u7j h GLU 42 Cb 1.47 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.79 1u7j h GLU 42 CO -0.03 -0.17 0.22 -1.49 -1.00 0.00 0.00 179.01 176.54 1u7j h TRP 43 N -0.46 0.42 0.24 4.33 6.55 -1.39 -0.53 115.95 125.10 1u7j h TRP 43 Ca -0.04 0.01 0.01 0.00 0.95 0.00 0.00 58.89 59.82 1u7j h TRP 43 Cb 0.35 -0.14 -0.03 0.00 -0.86 0.00 0.00 29.16 28.47 1u7j h TRP 43 CO -0.03 0.26 -0.39 1.25 -1.05 0.00 0.00 178.44 178.48 1u7j h LEU 44 N 0.45 -1.11 0.03 -4.49 6.46 -1.63 -1.82 115.31 113.20 1u7j h LEU 44 Ca 0.12 0.11 -0.23 0.00 -0.12 0.00 0.00 57.88 57.76 1u7j h LEU 44 Cb -0.05 0.40 -0.03 0.00 -0.73 0.00 0.00 40.66 40.25 1u7j h LEU 44 CO -0.03 -0.50 -1.13 -0.08 -0.62 0.00 0.00 178.44 176.08 1u7j h GLU 45 N -0.70 0.06 -0.49 1.25 4.57 -1.41 -3.27 114.58 114.58 1u7j h GLU 45 Ca -0.00 -0.10 -0.00 0.00 -1.18 0.00 0.00 59.36 58.08 1u7j h GLU 45 Cb 0.68 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.28 1u7j h GLU 45 CO -0.15 0.99 0.29 1.15 -1.18 0.00 0.00 179.01 180.11 1u7j h THR 46 N 0.02 1.14 0.00 0.32 2.02 -1.05 -2.51 112.91 112.84 1u7j h THR 46 Ca -0.07 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.80 1u7j h THR 46 Cb 1.84 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 68.71 1u7j h THR 46 CO 0.14 0.15 0.00 -0.38 0.37 0.00 0.00 175.52 175.80 1u7j n ILE 47 N -4.43 1.61 0.31 3.11 2.08 -0.69 -1.63 119.36 119.73 1u7j n ILE 47 Ca 0.04 0.40 0.20 0.00 0.56 0.00 0.00 62.75 63.96 1u7j n ILE 47 Cb 0.08 -1.38 1.02 0.00 -0.75 0.00 0.00 39.64 38.62 1u7j n ILE 47 CO 0.00 0.00 0.00 0.78 0.56 0.00 0.00 176.55 177.89 1u7j h ASN 48 N 0.00 0.00 0.00 4.38 4.21 -1.64 -3.50 115.58 119.03 1u7j h ASN 48 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1u7j h ASN 48 Cb 0.02 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.22 1u7j h ASN 48 CO 0.00 0.01 0.00 0.61 -1.29 0.00 0.00 177.43 176.76