#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2obu s ALA 2 N 0.00 -0.01 0.14 -3.48 0.00 -1.26 -5.04 121.76 112.12 2obu s ALA 2 Ca 0.00 -0.22 -0.12 0.00 0.00 0.00 0.00 51.96 51.62 2obu s ALA 2 Cb 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.16 2obu s ALA 2 CO 0.00 -0.09 1.53 1.49 0.00 0.00 0.00 175.76 178.69 2obu h GLU 3 N 5.35 0.92 -0.11 0.00 4.57 -2.08 -2.95 114.58 120.28 2obu h GLU 3 Ca -0.28 -0.39 0.03 0.00 -1.18 0.00 0.00 59.36 57.54 2obu h GLU 3 Cb 1.21 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.76 2obu h GLU 3 CO 0.45 1.05 0.56 0.78 -1.18 0.00 0.00 179.01 180.67 2obu h GLY 4 N 0.75 0.00 -0.89 1.92 0.00 -2.00 -2.49 103.07 100.35 2obu h GLY 4 Ca 0.10 0.00 0.22 0.00 0.00 0.00 0.00 47.33 47.65 2obu h GLY 4 CO 0.06 0.00 -0.11 -0.84 0.00 0.00 0.00 176.54 175.65 2obu h THR 5 N 0.00 0.06 -0.49 4.70 2.02 -1.95 0.35 112.91 117.60 2obu h THR 5 Ca 0.05 -0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.11 2obu h THR 5 Cb 1.17 0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 2obu h THR 5 CO -0.00 0.00 -0.16 2.19 0.37 0.00 0.00 175.52 177.92 2obu h PHE 6 N 0.01 1.08 -0.22 3.16 -5.15 -1.72 -0.74 116.94 113.36 2obu h PHE 6 Ca 0.51 -0.24 0.02 0.00 -0.20 0.00 0.00 57.97 58.06 2obu h PHE 6 Cb 0.92 -0.26 -0.02 0.00 0.22 0.00 0.00 35.95 36.81 2obu h PHE 6 CO -0.62 1.04 0.09 0.82 -2.00 0.00 0.00 178.31 177.64 2obu h ILE 7 N 0.84 0.97 -0.44 0.88 1.08 -0.64 0.37 117.51 120.57 2obu h ILE 7 Ca 0.12 -0.07 0.03 0.00 -0.39 0.00 0.00 64.86 64.55 2obu h ILE 7 Cb 0.72 0.75 -0.04 0.00 -3.07 0.00 0.00 36.82 35.18 2obu h ILE 7 CO 0.06 0.04 0.22 -1.28 -0.69 0.00 0.00 178.15 176.50 2obu h SER 8 N 0.21 0.33 -0.81 1.72 0.87 -0.42 0.27 113.55 115.71 2obu h SER 8 Ca 0.09 0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.68 2obu h SER 8 Cb 0.04 -0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 61.92 2obu h SER 8 CO -0.08 0.23 0.53 -0.78 -0.53 0.00 0.00 176.83 176.21 2obu h ASP 9 N 0.45 0.92 -0.60 6.23 3.58 -0.56 0.37 116.42 126.80 2obu h ASP 9 Ca 0.19 -0.02 -0.08 0.00 0.42 0.00 0.00 57.03 57.54 2obu h ASP 9 Cb 0.09 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 40.89 2obu h ASP 9 CO -0.13 0.66 0.06 0.22 -2.88 0.00 0.00 179.24 177.17 2obu h TYR 10 N 1.08 1.10 -0.02 0.28 5.03 0.82 0.89 116.97 126.15 2obu h TYR 10 Ca 0.30 -0.17 -0.01 0.00 2.58 0.00 0.00 58.73 61.43 2obu h TYR 10 Cb -0.11 -0.30 -0.00 0.00 1.55 0.00 0.00 36.73 37.88 2obu h TYR 10 CO -0.02 0.96 -0.03 1.03 -1.32 0.00 0.00 178.16 178.78 2obu h SER 11 N 0.92 0.06 -0.74 -2.11 0.87 -0.06 0.28 113.55 112.78 2obu h SER 11 Ca 0.18 -0.54 -0.01 0.00 -1.23 0.00 0.00 61.79 60.19 2obu h SER 11 Cb 0.48 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.38 2obu h SER 11 CO 0.02 0.59 0.41 -0.29 -0.53 0.00 0.00 176.83 177.03 2obu h ILE 12 N -0.46 1.22 -0.29 2.23 -0.00 -0.94 -0.12 117.51 119.16 2obu h ILE 12 Ca 0.00 -0.56 -0.01 0.00 -0.00 0.00 0.00 64.86 64.30 2obu h ILE 12 Cb 0.58 0.20 -0.01 0.00 -0.00 0.00 0.00 36.82 37.59 2obu h ILE 12 CO 0.01 0.25 0.14 0.00 -0.00 0.00 0.00 178.15 178.55 2obu h ALA 13 N 1.40 0.37 -0.30 0.18 0.00 -0.67 0.25 119.26 120.49 2obu h ALA 13 Ca 0.27 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.14 2obu h ALA 13 Cb 0.03 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 2obu h ALA 13 CO -0.04 -0.08 0.01 1.98 0.00 0.00 0.00 179.25 181.12 2obu h MET 14 N 0.33 0.10 -0.49 0.00 1.85 0.94 1.15 114.93 118.81 2obu h MET 14 Ca 0.10 -0.01 -0.00 0.00 -0.61 0.00 0.00 59.70 59.18 2obu h MET 14 Cb 0.11 -0.02 -0.02 0.00 0.43 0.00 0.00 31.60 32.09 2obu h MET 14 CO -0.01 0.06 0.30 0.22 -0.40 0.00 0.00 176.91 177.08 2obu h ASP 15 N 0.10 0.59 1.59 1.39 1.82 -0.86 -2.90 116.42 118.15 2obu h ASP 15 Ca 0.14 -0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.73 2obu h ASP 15 Cb 0.19 -0.15 0.00 0.00 0.68 0.00 0.00 39.33 40.05 2obu h ASP 15 CO -0.23 0.46 0.00 0.50 -1.61 0.00 0.00 179.24 178.36 2obu h LYS 16 N 0.66 0.00 0.09 0.28 3.64 0.87 -3.12 116.57 118.99 2obu h LYS 16 Ca 0.18 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.55 2obu h LYS 16 Cb -0.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 2obu h LYS 16 CO -0.03 0.00 -0.04 0.82 -2.27 0.00 0.00 179.45 177.92 2obu h ILE 17 N 0.00 1.17 -0.98 2.00 2.04 0.15 0.34 117.51 122.24 2obu h ILE 17 Ca 0.00 -1.21 0.04 0.00 1.00 0.00 0.00 64.86 64.68 2obu h ILE 17 Cb 0.80 1.92 -0.06 0.00 -0.74 0.00 0.00 36.82 38.73 2obu h ILE 17 CO 0.00 0.28 0.64 1.12 0.00 0.00 0.00 178.15 180.19 2obu h HIS 18 N -0.70 1.20 -0.04 1.37 2.07 -1.62 0.27 115.15 117.69 2obu h HIS 18 Ca -0.01 0.03 -0.01 0.00 -2.85 0.00 0.00 60.37 57.53 2obu h HIS 18 Cb 0.55 -0.40 -0.00 0.00 2.57 0.00 0.00 27.41 30.13 2obu h HIS 18 CO 0.10 0.69 0.00 0.37 -3.07 0.00 0.00 177.93 176.03 2obu h GLN 19 N 1.24 0.07 -0.47 5.12 5.75 -1.48 0.59 115.11 125.93 2obu h GLN 19 Ca 0.39 -0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.84 2obu h GLN 19 Cb -0.00 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.52 2obu h GLN 19 CO -0.12 0.34 0.20 0.37 -2.65 0.00 0.00 178.83 176.97 2obu h GLN 20 N -0.20 0.70 -0.73 1.69 5.75 0.11 0.13 115.11 122.56 2obu h GLN 20 Ca 0.01 -0.12 0.03 0.00 -0.15 0.00 0.00 58.65 58.42 2obu h GLN 20 Cb 0.30 -0.12 -0.04 0.00 1.07 0.00 0.00 27.48 28.69 2obu h GLN 20 CO 0.00 0.61 0.47 0.22 -2.65 0.00 0.00 178.83 177.48 2obu h ASP 21 N 0.62 0.77 -0.51 -0.69 1.82 -0.41 0.30 116.42 118.32 2obu h ASP 21 Ca 0.16 -0.00 -0.10 0.00 -0.39 0.00 0.00 57.03 56.70 2obu h ASP 21 Cb 0.17 -0.17 -0.02 0.00 0.68 0.00 0.00 39.33 39.99 2obu h ASP 21 CO -0.02 0.54 -0.04 0.15 -1.61 0.00 0.00 179.24 178.26 2obu h PHE 22 N 0.91 1.05 0.07 0.28 3.57 -0.00 0.31 116.94 123.14 2obu h PHE 22 Ca 0.29 -0.19 -0.00 0.00 3.53 0.00 0.00 57.97 61.60 2obu h PHE 22 Cb 0.00 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.47 2obu h PHE 22 CO -0.04 0.96 -0.04 0.28 -2.23 0.00 0.00 178.31 177.25 2obu h VAL 23 N 0.88 1.09 -0.96 1.41 2.07 -0.25 0.40 116.25 120.89 2obu h VAL 23 Ca 0.15 -0.58 0.15 0.00 0.82 0.00 0.00 66.70 67.24 2obu h VAL 23 Cb 0.57 1.47 -0.08 0.00 -1.52 0.00 0.00 31.29 31.73 2obu h VAL 23 CO 0.03 0.14 0.61 0.78 0.02 0.00 0.00 177.57 179.15 2obu h ASN 24 N -0.36 0.76 0.13 0.57 4.21 -0.16 0.24 115.58 120.97 2obu h ASN 24 Ca -0.01 0.06 -0.01 0.00 1.21 0.00 0.00 56.30 57.55 2obu h ASN 24 Cb 0.31 -0.09 0.00 0.00 -1.12 0.00 0.00 38.32 37.42 2obu h ASN 24 CO 0.02 0.36 -0.06 -0.25 -1.29 0.00 0.00 177.43 176.20 2obu h TRP 25 N 0.79 -0.16 -0.74 1.19 7.01 -0.02 0.14 115.95 124.16 2obu h TRP 25 Ca 0.50 -0.00 0.10 0.00 2.11 0.00 0.00 58.89 61.60 2obu h TRP 25 Cb 0.73 0.05 -0.08 0.00 -2.10 0.00 0.00 29.16 27.77 2obu h TRP 25 CO -0.00 0.04 0.37 -0.07 -2.79 0.00 0.00 178.44 175.99 2obu h LEU 26 N -0.34 0.48 -0.56 0.65 3.38 0.10 0.35 115.31 119.37 2obu h LEU 26 Ca -0.02 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.04 2obu h LEU 26 Cb 0.27 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 2obu h LEU 26 CO 0.03 0.26 0.35 -0.07 0.09 0.00 0.00 178.44 179.10 2obu h LEU 27 N 0.61 0.58 -2.12 1.67 3.38 -0.33 -0.54 115.31 118.56 2obu h LEU 27 Ca 0.37 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.33 2obu h LEU 27 Cb 0.42 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 2obu h LEU 27 CO -0.29 0.41 -0.04 0.00 0.09 0.00 0.00 178.44 178.62 2obu h ALA 28 N 1.23 1.08 -0.41 1.53 0.00 0.22 0.12 119.26 123.03 2obu h ALA 28 Ca 0.22 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 2obu h ALA 28 Cb -0.02 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.69 2obu h ALA 28 CO -0.08 0.04 0.16 1.04 0.00 0.00 0.00 179.25 180.41 2obu n GLN 29 N -3.24 2.46 0.00 0.00 1.13 0.92 -3.92 117.38 114.73 2obu n GLN 29 Ca -0.01 -1.66 0.00 0.00 -1.94 0.00 0.00 57.00 53.39 2obu n GLN 29 Cb 0.21 -1.79 0.00 0.00 0.11 0.00 0.00 30.24 28.77 2obu n GLN 29 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 2obu n LYS 30 N 0.02 0.00 0.00 -1.09 2.85 -0.56 -4.64 118.16 114.74 2obu n LYS 30 Ca 0.23 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.49 2obu n LYS 30 Cb 0.93 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.31 2obu n LYS 30 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2obu n GLY 31 N -1.46 -2.60 0.26 2.58 0.00 0.32 -0.08 105.19 104.20 2obu n GLY 31 Ca 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 46.02 46.07 2obu n GLY 31 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2obu h LYS 32 N 0.00 0.45 0.09 1.61 5.09 -1.78 -1.79 116.57 120.24 2obu h LYS 32 Ca 0.00 -0.11 -0.27 0.00 0.09 0.00 0.00 60.65 60.36 2obu h LYS 32 Cb 0.00 -0.06 -0.01 0.00 0.10 0.00 0.00 32.23 32.26 2obu h LYS 32 CO 0.00 0.55 -1.29 -0.22 -2.09 0.00 0.00 179.45 176.40 2obu h LYS 33 N 0.43 0.20 -0.00 0.07 1.63 -1.67 -3.25 116.57 113.97 2obu h LYS 33 Ca 0.09 -0.34 0.00 0.00 -0.85 0.00 0.00 60.65 59.55 2obu h LYS 33 Cb 0.41 0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.17 2obu h LYS 33 CO 0.02 1.11 -0.59 -1.71 -3.45 0.00 0.00 179.45 174.83 2obu n ASN 34 N -3.45 0.79 0.36 4.20 5.15 0.88 -2.36 115.26 120.83 2obu n ASN 34 Ca -0.09 -0.60 -0.15 0.00 -0.60 0.00 0.00 54.58 53.14 2obu n ASN 34 Cb 1.01 0.44 -0.07 0.00 -0.53 0.00 0.00 39.78 40.63 2obu n ASN 34 CO 0.00 0.00 0.00 -0.78 1.40 0.00 0.00 177.26 177.88 2obu h ASP 35 N 0.30 -0.85 1.23 1.20 1.82 -1.35 -3.06 116.42 115.71 2obu h ASP 35 Ca 0.00 0.03 -0.07 0.00 -0.39 0.00 0.00 57.03 56.61 2obu h ASP 35 Cb 0.52 0.23 -0.01 0.00 0.68 0.00 0.00 39.33 40.74 2obu h ASP 35 CO 0.00 -0.58 -0.33 4.11 -1.61 0.00 0.00 179.24 180.83 2obu h TRP 36 N -0.95 0.00 -6.55 0.28 5.08 -1.75 -3.47 115.95 108.59 2obu h TRP 36 Ca -0.09 0.00 -0.46 0.00 1.08 0.00 0.00 58.89 59.41 2obu h TRP 36 Cb 0.74 0.00 -0.16 0.00 -3.00 0.00 0.00 29.16 26.73 2obu h TRP 36 CO 0.03 0.33 -0.72 1.17 -1.28 0.00 0.00 178.44 177.97 2obu n LYS 37 N -3.31 -0.95 -0.09 0.12 3.00 -1.00 -4.82 118.16 111.11 2obu n LYS 37 Ca 0.01 0.07 -0.18 0.00 -0.00 0.00 0.00 58.31 58.21 2obu n LYS 37 Cb 0.56 -2.72 -0.07 0.00 0.00 0.00 0.00 35.03 32.81 2obu n LYS 37 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 2obu n HIS 38 N -3.67 0.00 -0.38 5.64 -0.00 -1.26 -4.52 115.22 111.03 2obu n HIS 38 Ca -0.23 0.00 0.33 0.00 0.46 0.00 0.00 57.72 58.27 2obu n HIS 38 Cb 0.52 -0.65 0.65 0.00 -0.12 0.00 0.00 29.99 30.39 2obu n HIS 38 CO 0.00 0.00 0.00 -0.97 0.46 0.00 0.00 176.34 175.83 2obu h ASN 39 N -0.53 0.20 -1.43 0.26 -1.24 -1.88 -3.42 115.58 107.55 2obu h ASN 39 Ca -0.45 0.06 -0.61 0.00 0.71 0.00 0.00 56.30 56.01 2obu h ASN 39 Cb 1.44 0.03 0.14 0.00 0.73 0.00 0.00 38.32 40.66 2obu h ASN 39 CO -0.24 -0.01 -0.80 0.00 -1.29 0.00 0.00 177.43 175.10 2obu n ILE 40 N -4.42 0.99 0.04 2.57 0.13 -1.26 -4.90 119.36 112.51 2obu n ILE 40 Ca 0.29 -0.48 0.00 0.00 -1.10 0.00 0.00 62.75 61.46 2obu n ILE 40 Cb 1.22 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 40.02 2obu n ILE 40 CO 0.00 0.00 0.00 1.07 2.80 0.00 0.00 176.55 180.42 2obu n THR 41 N -0.70 0.00 -0.21 9.51 5.66 -1.26 -5.16 114.28 122.12 2obu n THR 41 Ca 0.13 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.13 2obu n THR 41 Cb 0.34 -0.21 0.00 0.00 -1.55 0.00 0.00 70.33 68.91 2obu n THR 41 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69