#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 2.76 -0.26 -3.48 0.00 -1.26 -4.92 121.76 114.61 2obu s ALA 2 Ca 0.00 -0.21 -0.06 0.00 0.00 0.00 0.00 51.96 51.68 2obu s ALA 2 Cb 0.00 -3.07 -0.21 0.00 0.00 0.00 0.00 23.12 19.83 2obu s ALA 2 CO 0.00 -1.20 3.46 -0.85 0.00 0.00 0.00 175.76 177.17 2obu n GLU 3 N -3.07 2.28 0.00 0.00 0.00 -1.26 -4.34 120.64 114.25 2obu n GLU 3 Ca 0.07 -1.30 0.14 0.00 0.00 0.00 0.00 57.16 56.07 2obu n GLU 3 Cb 0.56 -2.12 0.58 0.00 0.00 0.00 0.00 31.44 30.46 2obu n GLU 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2obu n GLY 4 N 2.48 -0.89 0.08 -1.84 0.00 -1.26 -4.11 105.19 99.65 2obu n GLY 4 Ca 0.48 -0.29 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 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 0.67 1.07 -0.43 2.61 2.02 -1.99 0.19 112.91 117.05 2obu h THR 5 Ca 0.00 -0.48 -0.12 0.00 0.77 0.00 0.00 66.41 66.58 2obu h THR 5 Cb 0.38 1.38 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 2obu h THR 5 CO 0.00 0.12 -0.22 2.19 0.37 0.00 0.00 175.52 177.98 2obu h PHE 6 N -0.31 0.99 -0.13 3.16 -5.15 -1.96 0.11 116.94 113.66 2obu h PHE 6 Ca -0.01 -0.23 0.00 0.00 -0.20 0.00 0.00 57.97 57.53 2obu h PHE 6 Cb 0.27 -0.23 -0.01 0.00 0.22 0.00 0.00 35.95 36.20 2obu h PHE 6 CO -0.00 1.00 0.08 0.82 -2.00 0.00 0.00 178.31 178.21 2obu h ILE 7 N 0.75 1.04 -0.31 0.88 1.08 -1.69 0.34 117.51 119.60 2obu h ILE 7 Ca 0.10 -0.07 -0.00 0.00 -0.39 0.00 0.00 64.86 64.50 2obu h ILE 7 Cb 0.76 0.86 -0.01 0.00 -3.07 0.00 0.00 36.82 35.35 2obu h ILE 7 CO 0.06 0.03 0.18 -1.28 -0.69 0.00 0.00 178.15 176.45 2obu h SER 8 N 0.17 0.38 -0.74 1.72 0.87 -0.32 0.20 113.55 115.83 2obu h SER 8 Ca 0.05 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 2obu h SER 8 Cb -0.02 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 61.81 2obu h SER 8 CO -0.01 0.34 0.48 -0.78 -0.53 0.00 0.00 176.83 176.33 2obu h ASP 9 N 0.39 0.86 -0.21 6.23 3.58 -0.48 0.21 116.42 126.99 2obu h ASP 9 Ca 0.11 -0.03 -0.11 0.00 0.42 0.00 0.00 57.03 57.42 2obu h ASP 9 Cb 0.04 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 40.87 2obu h ASP 9 CO -0.02 0.63 -0.31 0.22 -2.88 0.00 0.00 179.24 176.88 2obu h TYR 10 N 1.00 0.72 -0.22 0.28 3.20 0.60 0.32 116.97 122.86 2obu h TYR 10 Ca 0.27 -0.24 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 2obu h TYR 10 Cb -0.10 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.02 2obu h TYR 10 CO 0.00 0.96 -0.03 1.03 -1.64 0.00 0.00 178.16 178.48 2obu h SER 11 N 0.26 0.41 -0.47 -2.11 0.87 -0.37 -1.18 113.55 110.95 2obu h SER 11 Ca 0.02 -0.35 0.05 0.00 -1.23 0.00 0.00 61.79 60.28 2obu h SER 11 Cb 0.89 -0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 62.69 2obu h SER 11 CO 0.07 0.66 0.21 0.40 -0.53 0.00 0.00 176.83 177.65 2obu h ILE 12 N 0.15 0.92 -0.52 2.23 2.04 -0.59 -1.08 117.51 120.66 2obu h ILE 12 Ca 0.06 -0.15 0.08 0.00 1.00 0.00 0.00 64.86 65.86 2obu h ILE 12 Cb 0.47 0.46 -0.07 0.00 -0.74 0.00 0.00 36.82 36.94 2obu h ILE 12 CO 0.02 0.08 0.14 0.00 0.00 0.00 0.00 178.15 178.39 2obu h ALA 13 N 1.28 0.62 0.18 1.87 0.00 0.05 0.59 119.26 123.84 2obu h ALA 13 Ca 0.21 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.22 2obu h ALA 13 Cb 0.16 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2obu h ALA 13 CO -0.18 -0.27 -0.20 1.98 0.00 0.00 0.00 179.25 180.59 2obu h MET 14 N 0.29 -0.40 -0.99 0.00 1.85 -0.36 0.57 114.93 115.89 2obu h MET 14 Ca 0.26 0.03 0.07 0.00 -0.61 0.00 0.00 59.70 59.45 2obu h MET 14 Cb 0.33 0.09 -0.07 0.00 0.43 0.00 0.00 31.60 32.38 2obu h MET 14 CO -0.30 -0.27 0.64 0.22 -0.40 0.00 0.00 176.91 176.79 2obu h ASP 15 N -0.42 1.02 1.07 1.39 1.82 0.00 -2.58 116.42 118.72 2obu h ASP 15 Ca 0.01 0.01 -0.19 0.00 -0.39 0.00 0.00 57.03 56.47 2obu h ASP 15 Cb 0.40 -0.20 -0.03 0.00 0.68 0.00 0.00 39.33 40.18 2obu h ASP 15 CO -0.06 0.64 -0.95 0.50 -1.61 0.00 0.00 179.24 177.76 2obu h LYS 16 N 1.15 0.00 -0.04 0.28 1.63 0.60 -3.23 116.57 116.96 2obu h LYS 16 Ca 0.43 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 60.23 2obu h LYS 16 Cb 0.19 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.82 2obu h LYS 16 CO -0.18 0.81 0.00 0.82 -3.45 0.00 0.00 179.45 177.46 2obu h ILE 17 N 0.00 1.23 -0.85 2.00 2.04 0.54 0.33 117.51 122.79 2obu h ILE 17 Ca -0.04 -0.69 0.02 0.00 1.00 0.00 0.00 64.86 65.16 2obu h ILE 17 Cb 1.69 1.62 -0.05 0.00 -0.74 0.00 0.00 36.82 39.34 2obu h ILE 17 CO 0.11 0.19 0.56 1.12 0.00 0.00 0.00 178.15 180.12 2obu h HIS 18 N -0.20 1.06 -0.25 1.37 2.07 -1.63 0.29 115.15 117.85 2obu h HIS 18 Ca 0.01 0.03 -0.01 0.00 -2.85 0.00 0.00 60.37 57.54 2obu h HIS 18 Cb 0.29 -0.36 -0.01 0.00 2.57 0.00 0.00 27.41 29.91 2obu h HIS 18 CO 0.02 0.64 0.10 0.37 -3.07 0.00 0.00 177.93 176.00 2obu h GLN 19 N 1.12 0.37 -0.55 5.12 4.15 -1.52 0.33 115.11 124.14 2obu h GLN 19 Ca 0.32 -0.07 -0.00 0.00 0.77 0.00 0.00 58.65 59.68 2obu h GLN 19 Cb -0.08 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.52 2obu h GLN 19 CO -0.09 0.40 0.34 0.37 -1.93 0.00 0.00 178.83 177.92 2obu h GLN 20 N 0.26 0.75 -0.71 1.69 4.15 0.42 0.35 115.11 122.01 2obu h GLN 20 Ca 0.08 -0.06 0.05 0.00 0.77 0.00 0.00 58.65 59.49 2obu h GLN 20 Cb 0.17 -0.16 -0.05 0.00 0.21 0.00 0.00 27.48 27.65 2obu h GLN 20 CO -0.01 0.53 0.42 -0.44 -1.93 0.00 0.00 178.83 177.41 2obu h ASP 21 N 0.74 0.66 -0.51 -0.69 3.32 -0.25 0.24 116.42 119.93 2obu h ASP 21 Ca 0.20 0.02 -0.10 0.00 0.02 0.00 0.00 57.03 57.16 2obu h ASP 21 Cb -0.02 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 2obu h ASP 21 CO -0.04 0.43 -0.09 0.15 -1.72 0.00 0.00 179.24 177.98 2obu h PHE 22 N 0.79 1.08 0.51 4.55 3.57 0.60 0.23 116.94 128.26 2obu h PHE 22 Ca 0.31 -0.22 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 2obu h PHE 22 Cb 0.14 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.61 2obu h PHE 22 CO -0.06 1.01 -0.24 0.28 -2.23 0.00 0.00 178.31 177.07 2obu h VAL 23 N 0.83 0.17 -0.14 1.41 2.07 0.12 -0.02 116.25 120.69 2obu h VAL 23 Ca 0.13 -0.51 0.04 0.00 0.82 0.00 0.00 66.70 67.19 2obu h VAL 23 Cb 0.64 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 2obu h VAL 23 CO 0.04 0.03 0.11 -0.55 0.02 0.00 0.00 177.57 177.23 2obu h ASN 24 N -1.11 0.00 -0.25 0.57 7.08 -0.56 0.27 115.58 121.58 2obu h ASN 24 Ca -0.07 0.00 -0.04 0.00 -3.08 0.00 0.00 56.30 53.11 2obu h ASN 24 Cb 0.58 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.81 2obu h ASN 24 CO 0.11 0.00 0.01 -0.25 -2.08 0.00 0.00 177.43 175.23 2obu h TRP 25 N 0.00 0.46 0.16 4.14 7.01 -0.41 0.20 115.95 127.52 2obu h TRP 25 Ca 0.07 -0.07 -0.01 0.00 2.11 0.00 0.00 58.89 60.99 2obu h TRP 25 Cb 0.30 -0.12 0.00 0.00 -2.10 0.00 0.00 29.16 27.23 2obu h TRP 25 CO 0.00 0.58 -0.08 -0.07 -2.79 0.00 0.00 178.44 176.08 2obu h LEU 26 N 0.21 -0.18 -0.45 0.65 3.38 0.13 0.36 115.31 119.40 2obu h LEU 26 Ca 0.07 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.10 2obu h LEU 26 Cb 0.38 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.12 2obu h LEU 26 CO 0.01 -0.11 0.11 -0.07 0.09 0.00 0.00 178.44 178.47 2obu h LEU 27 N -0.24 0.04 -1.33 1.67 3.38 -0.53 0.26 115.31 118.56 2obu h LEU 27 Ca -0.02 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.03 2obu h LEU 27 Cb 0.18 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 2obu h LEU 27 CO 0.04 0.06 0.46 0.00 0.09 0.00 0.00 178.44 179.08 2obu h ALA 28 N 1.34 1.53 -1.35 1.53 0.00 -0.30 -1.68 119.26 120.33 2obu h ALA 28 Ca 0.22 -0.04 -0.75 0.00 0.00 0.00 0.00 54.91 54.34 2obu h ALA 28 Cb 0.27 -0.27 -0.31 0.00 0.00 0.00 0.00 17.79 17.49 2obu h ALA 28 CO -0.28 0.43 0.65 0.94 0.00 0.00 0.00 179.25 180.99 2obu n GLN 29 N -4.44 4.16 0.15 0.00 7.27 0.12 -4.40 117.38 120.24 2obu n GLN 29 Ca 0.08 -4.34 0.00 0.00 0.07 0.00 0.00 57.00 52.80 2obu n GLN 29 Cb 0.06 -2.36 0.00 0.00 2.41 0.00 0.00 30.24 30.35 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 -0.27 0.00 0.32 3.69 0.00 -0.19 -4.71 118.16 117.00 2obu n LYS 30 Ca 0.46 0.00 -0.15 0.00 0.00 0.00 0.00 58.31 58.62 2obu n LYS 30 Cb 0.31 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.26 2obu n LYS 30 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 2obu h GLY 31 N 0.00 -1.14 2.00 3.14 0.00 -1.55 0.20 103.07 105.72 2obu h GLY 31 Ca 0.00 0.48 -0.06 0.00 0.00 0.00 0.00 47.33 47.75 2obu h GLY 31 CO 0.00 -0.38 -0.27 0.07 0.00 0.00 0.00 176.54 175.96 2obu h LYS 32 N -0.93 0.00 0.00 4.80 5.09 -1.77 -2.89 116.57 120.87 2obu h LYS 32 Ca -0.08 0.00 -0.14 0.00 0.09 0.00 0.00 60.65 60.52 2obu h LYS 32 Cb 0.76 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 33.07 2obu h LYS 32 CO 0.05 0.27 -0.79 -0.22 -2.09 0.00 0.00 179.45 176.68 2obu h LYS 33 N 0.00 0.00 -0.39 0.07 1.63 -1.72 0.55 116.57 116.70 2obu h LYS 33 Ca -0.00 0.00 0.02 0.00 -0.85 0.00 0.00 60.65 59.82 2obu h LYS 33 Cb 0.63 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.24 2obu h LYS 33 CO 0.04 0.92 0.26 -0.91 -3.45 0.00 0.00 179.45 176.31 2obu h ASN 34 N -1.00 0.39 -0.24 4.20 4.21 -0.74 -0.01 115.58 122.38 2obu h ASN 34 Ca -0.21 -0.01 -0.16 0.00 1.21 0.00 0.00 56.30 57.13 2obu h ASN 34 Cb 1.13 -0.09 0.00 0.00 -1.12 0.00 0.00 38.32 38.24 2obu h ASN 34 CO -0.13 0.27 -0.49 0.44 -1.29 0.00 0.00 177.43 176.23 2obu h ASP 35 N 0.45 0.85 -6.76 5.81 5.19 -1.58 -3.44 116.42 116.95 2obu h ASP 35 Ca 0.16 -0.54 -0.55 0.00 -0.62 0.00 0.00 57.03 55.47 2obu h ASP 35 Cb 0.07 -0.25 -0.12 0.00 0.18 0.00 0.00 39.33 39.22 2obu h ASP 35 CO -0.04 1.24 -0.93 -2.67 -3.12 0.00 0.00 179.24 173.72 2obu n TRP 36 N -4.11 -1.48 -4.06 4.55 4.27 0.19 -1.22 117.44 115.58 2obu n TRP 36 Ca -0.05 0.66 -0.35 0.00 -3.89 0.00 0.00 57.50 53.86 2obu n TRP 36 Cb 0.59 -3.30 -0.03 0.00 -1.36 0.00 0.00 31.31 27.21 2obu n TRP 36 CO 0.00 0.00 0.00 0.36 -2.29 0.00 0.00 177.69 175.76 2obu n LYS 37 N -4.50 -0.57 0.20 -2.67 0.00 -1.22 -4.71 118.16 104.69 2obu n LYS 37 Ca -0.31 0.02 0.00 0.00 -0.00 0.00 0.00 58.31 58.02 2obu n LYS 37 Cb 0.69 -2.44 0.00 0.00 -0.00 0.00 0.00 35.03 33.27 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 -4.36 -4.00 -0.19 5.58 -0.00 -0.36 -4.89 115.22 106.99 2obu n HIS 38 Ca -0.17 1.23 0.12 0.00 0.46 0.00 0.00 57.72 59.35 2obu n HIS 38 Cb 0.53 2.96 0.43 0.00 -0.12 0.00 0.00 29.99 33.79 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 0.00 0.54 -0.65 0.26 -0.73 -1.74 -3.43 115.58 109.82 2obu h ASN 39 Ca 0.00 0.02 -0.48 0.00 1.87 0.00 0.00 56.30 57.72 2obu h ASN 39 Cb 0.00 -0.09 0.05 0.00 0.27 0.00 0.00 38.32 38.55 2obu h ASN 39 CO 0.00 0.30 -0.15 0.00 -0.37 0.00 0.00 177.43 177.21 2obu n ILE 40 N -4.50 0.66 0.00 2.57 0.13 -1.26 -4.80 119.36 112.15 2obu n ILE 40 Ca 0.14 -0.16 0.00 0.00 -1.10 0.00 0.00 62.75 61.63 2obu n ILE 40 Cb 0.42 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.22 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 0.48 0.00 -0.33 9.51 5.66 -1.26 -5.11 114.28 123.23 2obu n THR 41 Ca 0.12 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.12 2obu n THR 41 Cb 0.11 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.89 2obu n THR 41 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69