#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2obu n ALA 2 N 0.00 3.20 -0.23 -3.48 0.00 -1.26 -4.90 120.51 113.84 2obu n ALA 2 Ca 0.00 -4.02 -0.06 0.00 0.00 0.00 0.00 53.44 49.36 2obu n ALA 2 Cb 0.00 -0.86 0.09 0.00 0.00 0.00 0.00 19.45 18.68 2obu n ALA 2 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2obu h GLU 3 N 4.28 1.08 -0.75 0.00 4.81 -2.08 -2.38 114.58 119.55 2obu h GLU 3 Ca 0.14 -0.23 0.22 0.00 -0.13 0.00 0.00 59.36 59.36 2obu h GLU 3 Cb 0.78 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.98 2obu h GLU 3 CO 0.63 0.93 0.83 0.78 -0.73 0.00 0.00 179.01 181.45 2obu h GLY 4 N 1.08 0.00 -0.79 1.92 0.00 -2.01 -1.37 103.07 101.90 2obu h GLY 4 Ca 0.22 0.00 0.21 0.00 0.00 0.00 0.00 47.33 47.76 2obu h GLY 4 CO -0.00 0.00 -0.09 -0.84 0.00 0.00 0.00 176.54 175.61 2obu h THR 5 N 0.00 0.11 -0.69 4.70 2.02 -1.85 0.36 112.91 117.57 2obu h THR 5 Ca 0.36 -0.01 -0.07 0.00 0.77 0.00 0.00 66.41 67.46 2obu h THR 5 Cb 2.01 0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 68.47 2obu h THR 5 CO -0.00 0.00 0.15 2.19 0.37 0.00 0.00 175.52 178.23 2obu h PHE 6 N 0.02 1.16 -0.01 3.16 -5.15 -1.49 0.37 116.94 115.00 2obu h PHE 6 Ca 0.49 -0.14 -0.00 0.00 -0.20 0.00 0.00 57.97 58.12 2obu h PHE 6 Cb 0.88 -0.33 -0.00 0.00 0.22 0.00 0.00 35.95 36.72 2obu h PHE 6 CO -0.58 0.95 0.01 0.82 -2.00 0.00 0.00 178.31 177.51 2obu h ILE 7 N 1.04 1.06 -0.52 0.88 2.04 -0.58 0.28 117.51 121.72 2obu h ILE 7 Ca 0.21 -0.18 0.05 0.00 1.00 0.00 0.00 64.86 65.95 2obu h ILE 7 Cb 0.38 1.15 -0.05 0.00 -0.74 0.00 0.00 36.82 37.57 2obu h ILE 7 CO 0.00 0.05 0.24 -1.28 0.00 0.00 0.00 178.15 177.17 2obu h SER 8 N -0.05 0.33 -0.65 1.72 0.87 -0.47 0.25 113.55 115.55 2obu h SER 8 Ca 0.01 0.04 0.03 0.00 -1.23 0.00 0.00 61.79 60.63 2obu h SER 8 Cb 0.07 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 61.97 2obu h SER 8 CO -0.00 0.23 0.40 -0.78 -0.53 0.00 0.00 176.83 176.15 2obu h ASP 9 N 0.47 0.66 -0.64 6.23 1.82 -0.46 -0.26 116.42 124.25 2obu h ASP 9 Ca 0.23 0.00 -0.08 0.00 -0.39 0.00 0.00 57.03 56.79 2obu h ASP 9 Cb 0.17 -0.14 -0.03 0.00 0.68 0.00 0.00 39.33 40.02 2obu h ASP 9 CO -0.18 0.45 0.08 0.22 -1.61 0.00 0.00 179.24 178.20 2obu h TYR 10 N 0.79 1.16 0.11 0.28 3.20 0.75 0.14 116.97 123.41 2obu h TYR 10 Ca 0.26 -0.17 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 2obu h TYR 10 Cb 0.03 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 37.99 2obu h TYR 10 CO -0.05 0.99 -0.05 1.03 -1.64 0.00 0.00 178.16 178.43 2obu h SER 11 N 1.01 -0.13 -0.61 -2.11 0.87 -0.01 0.13 113.55 112.70 2obu h SER 11 Ca 0.19 -0.35 -0.04 0.00 -1.23 0.00 0.00 61.79 60.36 2obu h SER 11 Cb 0.47 0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.44 2obu h SER 11 CO 0.02 0.30 0.22 -0.29 -0.53 0.00 0.00 176.83 176.55 2obu h ILE 12 N -0.59 1.23 -0.32 2.23 -0.00 -1.06 -0.32 117.51 118.69 2obu h ILE 12 Ca -0.02 -0.78 0.00 0.00 -0.00 0.00 0.00 64.86 64.07 2obu h ILE 12 Cb 0.47 0.51 -0.02 0.00 -0.00 0.00 0.00 36.82 37.78 2obu h ILE 12 CO 0.03 0.31 0.21 0.00 -0.00 0.00 0.00 178.15 178.69 2obu h ALA 13 N 1.30 0.41 -0.13 0.18 0.00 -0.59 0.19 119.26 120.62 2obu h ALA 13 Ca 0.21 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 2obu h ALA 13 Cb 0.24 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2obu h ALA 13 CO -0.01 -0.13 0.08 1.98 0.00 0.00 0.00 179.25 181.16 2obu h MET 14 N 0.43 0.17 -0.30 0.00 1.85 0.14 0.45 114.93 117.67 2obu h MET 14 Ca 0.12 -0.01 0.03 0.00 -0.61 0.00 0.00 59.70 59.23 2obu h MET 14 Cb -0.04 -0.04 -0.03 0.00 0.43 0.00 0.00 31.60 31.92 2obu h MET 14 CO -0.03 0.15 0.10 0.22 -0.40 0.00 0.00 176.91 176.95 2obu h ASP 15 N 0.14 0.09 -0.51 1.39 3.58 -0.81 -2.72 116.42 117.58 2obu h ASP 15 Ca 0.05 0.04 -0.08 0.00 0.42 0.00 0.00 57.03 57.45 2obu h ASP 15 Cb 0.02 0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.08 2obu h ASP 15 CO -0.01 0.09 0.02 0.50 -2.88 0.00 0.00 179.24 176.96 2obu h LYS 16 N 0.22 0.89 -0.56 0.28 3.64 -0.22 -3.22 116.57 117.60 2obu h LYS 16 Ca 0.14 -0.27 0.11 0.00 -1.27 0.00 0.00 60.65 59.35 2obu h LYS 16 Cb 0.11 -0.08 -0.09 0.00 -0.41 0.00 0.00 32.23 31.76 2obu h LYS 16 CO -0.15 0.91 0.04 0.82 -2.27 0.00 0.00 179.45 178.80 2obu h ILE 17 N 0.75 0.58 -0.84 2.00 2.04 0.23 0.41 117.51 122.68 2obu h ILE 17 Ca 0.15 -0.05 0.03 0.00 1.00 0.00 0.00 64.86 65.98 2obu h ILE 17 Cb 0.50 0.41 -0.05 0.00 -0.74 0.00 0.00 36.82 36.94 2obu h ILE 17 CO 0.02 0.03 0.54 1.12 0.00 0.00 0.00 178.15 179.87 2obu h HIS 18 N 0.15 1.02 0.15 1.37 2.07 -1.55 0.18 115.15 118.56 2obu h HIS 18 Ca 0.29 0.03 -0.01 0.00 -2.85 0.00 0.00 60.37 57.83 2obu h HIS 18 Cb 0.45 -0.34 0.00 0.00 2.57 0.00 0.00 27.41 30.09 2obu h HIS 18 CO -0.31 0.60 -0.07 0.37 -3.07 0.00 0.00 177.93 175.44 2obu h GLN 19 N 1.07 -0.20 -0.58 5.12 4.15 -0.79 -0.22 115.11 123.66 2obu h GLN 19 Ca 0.33 0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.82 2obu h GLN 19 Cb -0.02 0.05 -0.05 0.00 0.21 0.00 0.00 27.48 27.67 2obu h GLN 19 CO -0.11 0.04 0.29 0.37 -1.93 0.00 0.00 178.83 177.49 2obu h GLN 20 N -0.42 0.54 -0.57 1.69 5.75 0.20 0.29 115.11 122.59 2obu h GLN 20 Ca -0.02 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.43 2obu h GLN 20 Cb 0.33 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.73 2obu h GLN 20 CO 0.03 0.35 0.29 0.22 -2.65 0.00 0.00 178.83 177.08 2obu h ASP 21 N 0.55 0.73 -0.68 -0.69 3.58 -0.61 0.72 116.42 120.02 2obu h ASP 21 Ca 0.26 -0.11 -0.04 0.00 0.42 0.00 0.00 57.03 57.56 2obu h ASP 21 Cb 0.19 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 41.02 2obu h ASP 21 CO -0.19 0.63 0.26 0.15 -2.88 0.00 0.00 179.24 177.21 2obu h PHE 22 N 0.77 1.07 0.50 0.28 3.57 0.67 0.76 116.94 124.57 2obu h PHE 22 Ca 0.20 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 2obu h PHE 22 Cb 0.08 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.51 2obu h PHE 22 CO -0.01 0.83 -0.24 0.28 -2.23 0.00 0.00 178.31 176.94 2obu h VAL 23 N 1.02 0.33 -0.26 1.41 2.07 -0.05 -0.84 116.25 119.92 2obu h VAL 23 Ca 0.23 -0.45 0.08 0.00 0.82 0.00 0.00 66.70 67.38 2obu h VAL 23 Cb 0.23 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 2obu h VAL 23 CO -0.02 0.05 0.19 -0.55 0.02 0.00 0.00 177.57 177.27 2obu h ASN 24 N -1.01 0.00 -0.16 0.57 7.08 -0.75 0.14 115.58 121.46 2obu h ASN 24 Ca -0.07 0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 53.13 2obu h ASN 24 Cb 0.61 -0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.84 2obu h ASN 24 CO 0.11 0.00 0.00 -0.25 -2.08 0.00 0.00 177.43 175.22 2obu h TRP 25 N 0.00 0.31 -0.20 4.14 7.01 -0.69 0.28 115.95 126.80 2obu h TRP 25 Ca 0.12 -0.05 0.03 0.00 2.11 0.00 0.00 58.89 61.10 2obu h TRP 25 Cb 0.50 -0.08 -0.03 0.00 -2.10 0.00 0.00 29.16 27.45 2obu h TRP 25 CO -0.00 0.49 0.03 -0.07 -2.79 0.00 0.00 178.44 176.10 2obu h LEU 26 N 0.03 -0.01 -1.02 0.65 3.38 0.61 -1.21 115.31 117.74 2obu h LEU 26 Ca 0.05 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.08 2obu h LEU 26 Cb 0.37 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 2obu h LEU 26 CO 0.01 0.02 0.66 -0.07 0.09 0.00 0.00 178.44 179.15 2obu h LEU 27 N 0.11 1.11 -1.51 1.67 3.38 -0.71 -0.21 115.31 119.14 2obu h LEU 27 Ca 0.09 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.05 2obu h LEU 27 Cb 0.09 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2obu h LEU 27 CO -0.13 0.77 0.33 0.00 0.09 0.00 0.00 178.44 179.50 2obu h ALA 28 N 1.41 1.65 -0.56 1.53 0.00 0.41 0.65 119.26 124.35 2obu h ALA 28 Ca 0.39 -0.03 -0.37 0.00 0.00 0.00 0.00 54.91 54.90 2obu h ALA 28 Cb -0.04 -0.20 -0.16 0.00 0.00 0.00 0.00 17.79 17.38 2obu h ALA 28 CO -0.11 0.32 0.47 1.04 0.00 0.00 0.00 179.25 180.98 2obu n GLN 29 N -4.46 1.91 0.14 0.00 6.02 -0.11 -3.29 117.38 117.58 2obu n GLN 29 Ca 0.04 -1.81 0.00 0.00 -0.01 0.00 0.00 57.00 55.22 2obu n GLN 29 Cb 0.05 -1.71 0.00 0.00 1.02 0.00 0.00 30.24 29.60 2obu n GLN 29 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2obu n LYS 30 N 0.07 0.00 0.32 -1.09 5.02 0.06 -4.53 118.16 118.00 2obu n LYS 30 Ca 0.35 0.00 0.20 0.00 -2.02 0.00 0.00 58.31 56.84 2obu n LYS 30 Cb 0.67 0.00 1.08 0.00 -0.02 0.00 0.00 35.03 36.76 2obu n LYS 30 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 2obu h GLY 31 N 0.00 0.00 -5.07 0.72 0.00 -1.30 -3.14 103.07 94.29 2obu h GLY 31 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.04 2obu h GLY 31 CO 0.00 0.00 -0.90 0.58 0.00 0.00 0.00 176.54 176.22 2obu n LYS 32 N -3.21 1.26 0.01 4.80 0.00 -1.21 -4.95 118.16 114.87 2obu n LYS 32 Ca -0.02 -2.77 -0.12 0.00 -0.00 0.00 0.00 58.31 55.40 2obu n LYS 32 Cb 0.15 -0.86 -0.09 0.00 -0.00 0.00 0.00 35.03 34.23 2obu n LYS 32 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 2obu h LYS 33 N 2.53 -0.11 -0.92 -1.58 3.11 -1.69 0.86 116.57 118.77 2obu h LYS 33 Ca -0.18 0.01 0.20 0.00 -2.81 0.00 0.00 60.65 57.86 2obu h LYS 33 Cb 1.23 0.02 -0.07 0.00 -1.00 0.00 0.00 32.23 32.41 2obu h LYS 33 CO 0.25 0.44 0.60 -0.91 -2.81 0.00 0.00 179.45 177.02 2obu h ASN 34 N -0.80 0.50 0.91 4.20 4.21 -1.92 0.17 115.58 122.84 2obu h ASN 34 Ca -0.01 0.05 -0.23 0.00 1.21 0.00 0.00 56.30 57.32 2obu h ASN 34 Cb 0.60 -0.04 -0.02 0.00 -1.12 0.00 0.00 38.32 37.73 2obu h ASN 34 CO 0.02 0.20 -1.07 -0.78 -1.29 0.00 0.00 177.43 174.50 2obu h ASP 35 N 0.50 0.08 -5.95 5.81 3.58 -1.92 -3.49 116.42 115.02 2obu h ASP 35 Ca 0.49 -0.09 -0.21 0.00 0.42 0.00 0.00 57.03 57.64 2obu h ASP 35 Cb 1.08 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.11 2obu h ASP 35 CO -0.21 1.07 -0.47 -2.67 -2.88 0.00 0.00 179.24 174.08 2obu n TRP 36 N -3.38 -2.58 -3.49 0.28 4.27 0.60 -1.94 117.44 111.21 2obu n TRP 36 Ca -0.02 1.00 -0.25 0.00 -3.89 0.00 0.00 57.50 54.34 2obu n TRP 36 Cb 0.96 -3.55 0.00 0.00 -1.36 0.00 0.00 31.31 27.36 2obu n TRP 36 CO 0.00 0.00 0.00 1.63 -2.29 0.00 0.00 177.69 177.03 2obu n LYS 37 N -2.17 -3.95 0.00 -2.67 4.76 -1.25 -4.03 118.16 108.85 2obu n LYS 37 Ca -0.13 0.54 0.00 0.00 -2.87 0.00 0.00 58.31 55.85 2obu n LYS 37 Cb 0.58 -5.31 0.00 0.00 -1.84 0.00 0.00 35.03 28.47 2obu n LYS 37 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 2obu n HIS 38 N -4.18 0.00 -2.64 2.13 -0.00 -0.82 -2.14 115.22 107.57 2obu n HIS 38 Ca -0.01 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.61 2obu n HIS 38 Cb 0.54 0.00 0.03 0.00 -0.00 0.00 0.00 29.99 30.56 2obu n HIS 38 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.34 174.63 2obu n ASN 39 N 3.30 2.09 -4.20 0.26 2.85 -1.26 -4.96 115.26 113.34 2obu n ASN 39 Ca 0.00 -2.76 -0.27 0.00 -0.11 0.00 0.00 54.58 51.44 2obu n ASN 39 Cb 0.00 -0.50 -0.16 0.00 1.24 0.00 0.00 39.78 40.36 2obu n ASN 39 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2obu s ILE 40 N -3.67 1.63 -1.17 -1.44 -1.09 -0.91 -5.06 121.20 109.49 2obu s ILE 40 Ca 0.31 -0.86 -0.06 0.00 -2.23 0.00 0.00 60.65 57.81 2obu s ILE 40 Cb 0.42 -1.37 0.24 0.00 -1.58 0.00 0.00 42.46 40.17 2obu s ILE 40 CO -0.01 0.46 1.71 0.35 -1.23 0.00 0.00 174.94 176.22 2obu n THR 41 N 2.81 5.00 0.62 2.92 -2.24 -1.26 -4.66 114.28 117.47 2obu n THR 41 Ca -0.16 -5.26 0.05 0.00 -2.27 0.00 0.00 64.05 56.41 2obu n THR 41 Cb 0.53 -2.15 0.29 0.00 -2.10 0.00 0.00 70.33 66.90 2obu n THR 41 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17