#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 -1.48 0.56 -3.48 0.00 -1.26 -5.11 121.76 111.00 2obu s ALA 2 Ca 0.00 0.16 -0.20 0.00 0.00 0.00 0.00 51.96 51.91 2obu s ALA 2 Cb 0.00 0.78 -0.04 0.00 0.00 0.00 0.00 23.12 23.85 2obu s ALA 2 CO 0.00 -0.92 1.27 -2.00 0.00 0.00 0.00 175.76 174.11 2obu s GLU 3 N -3.67 3.11 0.00 0.00 2.12 -1.26 -2.28 118.70 116.72 2obu s GLU 3 Ca 0.07 2.00 0.00 0.00 0.36 0.00 0.00 54.97 57.41 2obu s GLU 3 Cb -0.03 -2.12 0.00 0.00 0.26 0.00 0.00 34.13 32.24 2obu s GLU 3 CO -0.02 -1.14 0.00 0.41 -0.54 0.00 0.00 175.26 173.97 2obu n GLY 4 N 0.63 2.55 0.12 -1.50 0.00 -1.26 -4.89 105.19 100.84 2obu n GLY 4 Ca 0.12 -0.20 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 2obu n GLY 4 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2obu h THR 5 N 0.00 1.11 -0.59 2.61 2.02 -1.89 0.66 112.91 116.83 2obu h THR 5 Ca 0.00 -0.31 -0.07 0.00 0.77 0.00 0.00 66.41 66.80 2obu h THR 5 Cb 0.00 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 2obu h THR 5 CO 0.00 0.11 0.08 2.19 0.37 0.00 0.00 175.52 178.27 2obu h PHE 6 N 0.24 1.03 0.01 3.16 -5.15 -1.90 0.87 116.94 115.20 2obu h PHE 6 Ca 0.08 -0.13 -0.00 0.00 -0.20 0.00 0.00 57.97 57.71 2obu h PHE 6 Cb 0.07 -0.28 0.00 0.00 0.22 0.00 0.00 35.95 35.96 2obu h PHE 6 CO -0.03 0.88 -0.01 0.82 -2.00 0.00 0.00 178.31 177.97 2obu h ILE 7 N 0.91 1.01 -0.42 0.88 1.08 -1.90 0.34 117.51 119.42 2obu h ILE 7 Ca 0.18 -0.07 0.04 0.00 -0.39 0.00 0.00 64.86 64.63 2obu h ILE 7 Cb 0.42 1.06 -0.04 0.00 -3.07 0.00 0.00 36.82 35.18 2obu h ILE 7 CO 0.01 0.02 0.19 -1.28 -0.69 0.00 0.00 178.15 176.40 2obu h SER 8 N -0.04 0.26 -0.76 1.72 0.87 -0.40 0.97 113.55 116.16 2obu h SER 8 Ca -0.00 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.57 2obu h SER 8 Cb 0.04 -0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 61.95 2obu h SER 8 CO 0.00 0.19 0.41 -0.78 -0.53 0.00 0.00 176.83 176.12 2obu h ASP 9 N 0.39 0.98 -0.30 6.23 1.82 -0.48 0.10 116.42 125.16 2obu h ASP 9 Ca 0.19 -0.09 -0.05 0.00 -0.39 0.00 0.00 57.03 56.69 2obu h ASP 9 Cb 0.12 -0.25 -0.01 0.00 0.68 0.00 0.00 39.33 39.87 2obu h ASP 9 CO -0.15 0.80 -0.01 0.22 -1.61 0.00 0.00 179.24 178.49 2obu h TYR 10 N 1.09 0.58 -0.19 0.28 3.20 0.90 0.27 116.97 123.10 2obu h TYR 10 Ca 0.27 -0.11 -0.03 0.00 3.14 0.00 0.00 58.73 62.00 2obu h TYR 10 Cb 0.05 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.17 2obu h TYR 10 CO 0.01 0.68 -0.01 1.03 -1.64 0.00 0.00 178.16 178.22 2obu h SER 11 N 0.32 0.34 -0.55 -2.11 0.87 -0.59 -0.50 113.55 111.34 2obu h SER 11 Ca 0.08 -0.33 -0.02 0.00 -1.23 0.00 0.00 61.79 60.29 2obu h SER 11 Cb 0.45 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.29 2obu h SER 11 CO 0.02 0.59 0.27 -0.29 -0.53 0.00 0.00 176.83 176.88 2obu h ILE 12 N 0.09 1.20 0.15 2.23 -0.00 -0.74 -0.68 117.51 119.76 2obu h ILE 12 Ca 0.05 -0.58 -0.01 0.00 -0.00 0.00 0.00 64.86 64.33 2obu h ILE 12 Cb 0.42 0.47 0.00 0.00 -0.00 0.00 0.00 36.82 37.71 2obu h ILE 12 CO 0.01 0.24 -0.07 0.00 -0.00 0.00 0.00 178.15 178.33 2obu h ALA 13 N 1.47 -0.20 -0.41 0.18 0.00 -0.15 0.12 119.26 120.27 2obu h ALA 13 Ca 0.20 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.13 2obu h ALA 13 Cb 0.11 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.90 2obu h ALA 13 CO -0.02 -0.59 -0.06 1.98 0.00 0.00 0.00 179.25 180.56 2obu h MET 14 N -0.24 0.04 -0.44 0.00 1.85 -0.18 1.08 114.93 117.04 2obu h MET 14 Ca -0.02 -0.00 0.06 0.00 -0.61 0.00 0.00 59.70 59.12 2obu h MET 14 Cb 0.19 -0.01 -0.05 0.00 0.43 0.00 0.00 31.60 32.16 2obu h MET 14 CO 0.03 0.03 0.15 0.22 -0.40 0.00 0.00 176.91 176.94 2obu h ASP 15 N 0.04 0.15 1.66 1.39 3.58 -0.81 -2.09 116.42 120.34 2obu h ASP 15 Ca 0.20 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.70 2obu h ASP 15 Cb 0.30 0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.39 2obu h ASP 15 CO -0.39 0.12 0.00 0.11 -2.88 0.00 0.00 179.24 176.20 2obu h LYS 16 N 0.31 0.00 0.12 0.28 1.57 0.90 -3.10 116.57 116.66 2obu h LYS 16 Ca 0.20 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 2obu h LYS 16 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 2obu h LYS 16 CO -0.21 0.00 -0.06 0.82 -0.57 0.00 0.00 179.45 179.43 2obu h ILE 17 N 0.00 1.06 -0.87 1.86 2.04 0.18 0.68 117.51 122.46 2obu h ILE 17 Ca 0.00 -0.89 0.04 0.00 1.00 0.00 0.00 64.86 65.01 2obu h ILE 17 Cb 0.83 1.61 -0.05 0.00 -0.74 0.00 0.00 36.82 38.47 2obu h ILE 17 CO 0.00 0.21 0.57 1.12 0.00 0.00 0.00 178.15 180.05 2obu h HIS 18 N -0.59 1.05 0.43 1.37 2.07 -1.58 0.27 115.15 118.16 2obu h HIS 18 Ca -0.02 0.03 -0.02 0.00 -2.85 0.00 0.00 60.37 57.51 2obu h HIS 18 Cb 0.46 -0.35 0.00 0.00 2.57 0.00 0.00 27.41 30.10 2obu h HIS 18 CO 0.06 0.60 -0.21 0.37 -3.07 0.00 0.00 177.93 175.68 2obu h GLN 19 N 1.07 -0.56 0.21 5.12 4.15 -1.43 0.12 115.11 123.80 2obu h GLN 19 Ca 0.35 0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.81 2obu h GLN 19 Cb 0.05 0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 2obu h GLN 19 CO -0.11 -0.29 -0.17 1.96 -1.93 0.00 0.00 178.83 178.29 2obu h GLN 20 N -0.74 -0.37 -0.91 1.69 7.50 -0.57 0.25 115.11 121.95 2obu h GLN 20 Ca -0.06 0.03 0.24 0.00 0.50 0.00 0.00 58.65 59.36 2obu h GLN 20 Cb 0.53 0.08 -0.14 0.00 0.05 0.00 0.00 27.48 28.00 2obu h GLN 20 CO 0.10 -0.25 0.36 0.22 -1.50 0.00 0.00 178.83 177.76 2obu h ASP 21 N -0.39 0.23 -0.13 1.46 3.58 -0.41 0.87 116.42 121.64 2obu h ASP 21 Ca -0.01 0.18 -0.15 0.00 0.42 0.00 0.00 57.03 57.47 2obu h ASP 21 Cb 0.35 0.19 0.01 0.00 1.72 0.00 0.00 39.33 41.59 2obu h ASP 21 CO -0.02 -0.09 -0.50 0.15 -2.88 0.00 0.00 179.24 175.91 2obu h PHE 22 N 0.31 0.76 0.45 0.28 3.57 0.38 0.18 116.94 122.86 2obu h PHE 22 Ca 0.59 -0.32 -0.02 0.00 3.53 0.00 0.00 57.97 61.75 2obu h PHE 22 Cb 1.19 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.82 2obu h PHE 22 CO -0.16 1.09 -0.22 0.28 -2.23 0.00 0.00 178.31 177.07 2obu h VAL 23 N 0.20 0.39 -1.02 1.41 2.07 0.89 -0.46 116.25 119.74 2obu h VAL 23 Ca -0.03 -0.51 0.26 0.00 0.82 0.00 0.00 66.70 67.24 2obu h VAL 23 Cb 1.13 0.56 -0.12 0.00 -1.52 0.00 0.00 31.29 31.34 2obu h VAL 23 CO 0.11 0.07 0.61 0.78 0.02 0.00 0.00 177.57 179.15 2obu h ASN 24 N -0.97 0.61 -0.51 0.57 4.21 0.62 0.36 115.58 120.47 2obu h ASN 24 Ca -0.06 0.13 -0.03 0.00 1.21 0.00 0.00 56.30 57.55 2obu h ASN 24 Cb 0.58 0.04 -0.02 0.00 -1.12 0.00 0.00 38.32 37.80 2obu h ASN 24 CO 0.10 0.07 0.19 -0.25 -1.29 0.00 0.00 177.43 176.24 2obu h TRP 25 N 0.51 0.80 0.18 1.19 7.01 -0.33 0.33 115.95 125.63 2obu h TRP 25 Ca 0.65 -0.07 -0.01 0.00 2.11 0.00 0.00 58.89 61.58 2obu h TRP 25 Cb 1.36 -0.23 0.00 0.00 -2.10 0.00 0.00 29.16 28.18 2obu h TRP 25 CO -0.01 0.67 -0.08 -0.07 -2.79 0.00 0.00 178.44 176.16 2obu h LEU 26 N 0.69 -0.20 -0.64 0.65 3.38 0.13 0.20 115.31 119.52 2obu h LEU 26 Ca 0.17 -0.07 0.07 0.00 0.09 0.00 0.00 57.88 58.13 2obu h LEU 26 Cb 0.23 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 2obu h LEU 26 CO -0.01 -0.06 0.33 -0.07 0.09 0.00 0.00 178.44 178.72 2obu h LEU 27 N -0.33 0.46 -0.55 1.67 3.38 -0.45 0.38 115.31 119.88 2obu h LEU 27 Ca -0.02 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2obu h LEU 27 Cb 0.26 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 2obu h LEU 27 CO 0.04 0.29 0.34 0.00 0.09 0.00 0.00 178.44 179.20 2obu h ALA 28 N 1.36 0.69 -1.02 1.53 0.00 -0.17 -0.24 119.26 121.42 2obu h ALA 28 Ca 0.30 -0.06 -0.74 0.00 0.00 0.00 0.00 54.91 54.40 2obu h ALA 28 Cb 0.24 -0.22 -0.28 0.00 0.00 0.00 0.00 17.79 17.53 2obu h ALA 28 CO -0.21 0.17 0.95 0.94 0.00 0.00 0.00 179.25 181.10 2obu n GLN 29 N -4.67 2.77 0.10 0.00 7.27 0.69 -3.77 117.38 119.77 2obu n GLN 29 Ca 0.03 -3.52 0.00 0.00 0.07 0.00 0.00 57.00 53.58 2obu n GLN 29 Cb 0.05 -2.27 0.00 0.00 2.41 0.00 0.00 30.24 30.42 2obu n GLN 29 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 2obu n LYS 30 N -0.61 0.00 0.04 3.69 4.81 0.11 -4.57 118.16 121.63 2obu n LYS 30 Ca 0.55 0.00 0.20 0.00 -0.87 0.00 0.00 58.31 58.20 2obu n LYS 30 Cb 0.33 0.00 0.73 0.00 0.02 0.00 0.00 35.03 36.11 2obu n LYS 30 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 2obu h GLY 31 N 0.00 0.00 0.00 3.14 0.00 -1.25 0.17 103.07 105.13 2obu h GLY 31 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.99 2obu h GLY 31 CO 0.00 0.00 -2.26 0.28 0.00 0.00 0.00 176.54 174.56 2obu n LYS 32 N -4.10 0.54 0.12 4.80 4.01 -1.25 -3.99 118.16 118.29 2obu n LYS 32 Ca 0.09 0.15 -0.11 0.00 -0.51 0.00 0.00 58.31 57.92 2obu n LYS 32 Cb 0.60 -1.41 -0.07 0.00 -0.51 0.00 0.00 35.03 33.64 2obu n LYS 32 CO 0.00 0.00 0.00 -0.22 -1.11 0.00 0.00 177.40 176.07 2obu h LYS 33 N -0.19 -0.36 -0.41 1.97 3.11 -1.68 0.66 116.57 119.68 2obu h LYS 33 Ca -0.51 0.02 0.05 0.00 -2.81 0.00 0.00 60.65 57.40 2obu h LYS 33 Cb 1.70 0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 32.99 2obu h LYS 33 CO -0.14 -0.01 0.27 -0.97 -2.81 0.00 0.00 179.45 175.79 2obu h ASN 34 N -0.90 0.31 1.34 4.20 -1.24 -0.92 0.25 115.58 118.62 2obu h ASN 34 Ca -0.04 -0.00 -0.10 0.00 0.71 0.00 0.00 56.30 56.88 2obu h ASN 34 Cb 0.51 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.48 2obu h ASN 34 CO 0.06 0.21 -0.45 -0.78 -1.29 0.00 0.00 177.43 175.17 2obu h ASP 35 N 0.35 0.00 -6.00 1.15 3.58 -1.49 -3.49 116.42 110.52 2obu h ASP 35 Ca 0.17 0.00 -0.35 0.00 0.42 0.00 0.00 57.03 57.27 2obu h ASP 35 Cb 0.25 0.00 0.10 0.00 1.72 0.00 0.00 39.33 41.40 2obu h ASP 35 CO -0.04 0.45 -0.85 -2.67 -2.88 0.00 0.00 179.24 173.26 2obu n TRP 36 N -3.29 -2.14 -3.97 0.28 4.27 0.23 -1.48 117.44 111.34 2obu n TRP 36 Ca 0.01 0.62 -0.30 0.00 -3.89 0.00 0.00 57.50 53.95 2obu n TRP 36 Cb 0.67 -3.62 0.01 0.00 -1.36 0.00 0.00 31.31 27.01 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 -3.66 -4.66 0.00 -2.67 4.76 -1.20 -4.31 118.16 106.42 2obu n LYS 37 Ca -0.09 0.53 0.00 0.00 -2.87 0.00 0.00 58.31 55.87 2obu n LYS 37 Cb 0.59 -5.26 0.00 0.00 -1.84 0.00 0.00 35.03 28.52 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 -4.54 0.00 0.94 2.13 -0.00 -0.55 -0.87 115.22 112.33 2obu n HIS 38 Ca -0.03 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 57.81 2obu n HIS 38 Cb 0.55 0.00 0.18 0.00 -0.00 0.00 0.00 29.99 30.72 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 5.34 0.58 -4.77 0.26 2.85 -1.26 -4.91 115.26 113.36 2obu n ASN 39 Ca 0.00 -0.31 -0.38 0.00 -0.11 0.00 0.00 54.58 53.78 2obu n ASN 39 Cb 0.00 0.37 -0.01 0.00 1.24 0.00 0.00 39.78 41.38 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 -3.03 3.02 0.07 -1.44 1.01 -0.05 -5.04 121.20 115.75 2obu s ILE 40 Ca 0.10 0.83 0.04 0.00 0.00 0.00 0.00 60.65 61.62 2obu s ILE 40 Cb 0.17 -3.45 -0.04 0.00 0.01 0.00 0.00 42.46 39.15 2obu s ILE 40 CO 0.73 0.05 0.01 0.28 0.00 0.00 0.00 174.94 176.01 2obu s THR 41 N -1.43 4.12 0.00 2.92 -1.32 -1.26 -4.47 115.64 114.19 2obu s THR 41 Ca 0.60 -0.89 0.00 0.00 -1.21 0.00 0.00 61.69 60.18 2obu s THR 41 Cb -0.31 -2.95 0.00 0.00 -1.51 0.00 0.00 72.50 67.73 2obu s THR 41 CO 0.39 0.16 0.00 1.67 -2.21 0.00 0.00 174.62 174.63