#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 -1.13 0.51 -3.48 0.00 -1.26 -5.09 121.76 111.32 2obu s ALA 2 Ca 0.00 -0.28 -0.23 0.00 0.00 0.00 0.00 51.96 51.45 2obu s ALA 2 Cb 0.00 0.88 -0.06 0.00 0.00 0.00 0.00 23.12 23.94 2obu s ALA 2 CO 0.00 -0.97 1.34 -2.00 0.00 0.00 0.00 175.76 174.12 2obu s GLU 3 N -3.91 3.34 0.00 0.00 2.12 -1.26 -1.89 118.70 117.10 2obu s GLU 3 Ca 0.11 2.19 0.00 0.00 0.36 0.00 0.00 54.97 57.63 2obu s GLU 3 Cb -0.05 -2.35 0.00 0.00 0.26 0.00 0.00 34.13 31.99 2obu s GLU 3 CO 0.04 -1.02 0.00 0.41 -0.54 0.00 0.00 175.26 174.16 2obu n GLY 4 N 0.66 2.79 0.17 -1.50 0.00 -1.26 -4.89 105.19 101.16 2obu n GLY 4 Ca 0.09 -0.47 -0.06 0.00 0.00 0.00 0.00 46.02 45.58 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 0.90 -0.39 2.61 2.02 -1.81 0.16 112.91 116.41 2obu h THR 5 Ca 0.00 -0.11 -0.15 0.00 0.77 0.00 0.00 66.41 66.92 2obu h THR 5 Cb 0.00 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 2obu h THR 5 CO 0.00 0.06 -0.34 2.19 0.37 0.00 0.00 175.52 177.80 2obu h PHE 6 N 0.32 1.09 -0.14 3.16 -5.15 -1.90 0.15 116.94 114.46 2obu h PHE 6 Ca 0.18 -0.32 0.01 0.00 -0.20 0.00 0.00 57.97 57.64 2obu h PHE 6 Cb 0.14 -0.23 -0.01 0.00 0.22 0.00 0.00 35.95 36.07 2obu h PHE 6 CO -0.14 1.14 0.07 0.82 -2.00 0.00 0.00 178.31 178.20 2obu h ILE 7 N 0.73 1.00 -0.35 0.88 1.08 -1.89 0.32 117.51 119.28 2obu h ILE 7 Ca 0.07 -0.05 0.02 0.00 -0.39 0.00 0.00 64.86 64.51 2obu h ILE 7 Cb 0.93 0.83 -0.03 0.00 -3.07 0.00 0.00 36.82 35.49 2obu h ILE 7 CO 0.09 0.03 0.17 -1.28 -0.69 0.00 0.00 178.15 176.47 2obu h SER 8 N 0.15 0.26 -0.83 1.72 0.87 -0.49 0.11 113.55 115.34 2obu h SER 8 Ca 0.06 0.02 0.02 0.00 -1.23 0.00 0.00 61.79 60.65 2obu h SER 8 Cb 0.01 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 61.89 2obu h SER 8 CO -0.04 0.19 0.55 -0.78 -0.53 0.00 0.00 176.83 176.22 2obu h ASP 9 N 0.36 0.92 -0.09 6.23 3.58 -0.48 0.18 116.42 127.12 2obu h ASP 9 Ca 0.14 -0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.55 2obu h ASP 9 Cb 0.05 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 40.88 2obu h ASP 9 CO -0.10 0.65 -0.07 0.22 -2.88 0.00 0.00 179.24 177.06 2obu h TYR 10 N 1.08 0.24 -0.27 0.28 3.20 0.98 0.27 116.97 122.74 2obu h TYR 10 Ca 0.32 -0.07 -0.04 0.00 3.14 0.00 0.00 58.73 62.08 2obu h TYR 10 Cb -0.05 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.16 2obu h TYR 10 CO -0.00 0.61 0.00 1.03 -1.64 0.00 0.00 178.16 178.16 2obu h SER 11 N -0.20 0.47 -0.46 -2.11 0.87 -0.67 -1.46 113.55 109.98 2obu h SER 11 Ca 0.02 -0.30 0.05 0.00 -1.23 0.00 0.00 61.79 60.32 2obu h SER 11 Cb 0.56 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.35 2obu h SER 11 CO 0.02 0.66 0.21 0.40 -0.53 0.00 0.00 176.83 177.58 2obu h ILE 12 N 0.26 0.92 -0.37 2.23 2.04 -0.65 -0.87 117.51 121.08 2obu h ILE 12 Ca 0.08 -0.14 0.07 0.00 1.00 0.00 0.00 64.86 65.86 2obu h ILE 12 Cb 0.42 0.48 -0.06 0.00 -0.74 0.00 0.00 36.82 36.91 2obu h ILE 12 CO 0.01 0.07 0.02 0.00 0.00 0.00 0.00 178.15 178.25 2obu h ALA 13 N 1.26 0.35 0.03 1.87 0.00 -0.11 0.41 119.26 123.07 2obu h ALA 13 Ca 0.21 0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.24 2obu h ALA 13 Cb 0.15 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 2obu h ALA 13 CO -0.17 -0.38 -0.21 1.98 0.00 0.00 0.00 179.25 180.47 2obu h MET 14 N 0.12 -0.34 -0.74 0.00 1.85 -0.41 0.64 114.93 116.05 2obu h MET 14 Ca 0.18 0.02 0.09 0.00 -0.61 0.00 0.00 59.70 59.39 2obu h MET 14 Cb 0.24 0.08 -0.07 0.00 0.43 0.00 0.00 31.60 32.28 2obu h MET 14 CO -0.29 -0.23 0.38 0.22 -0.40 0.00 0.00 176.91 176.60 2obu h ASP 15 N -0.35 0.52 1.23 1.39 3.58 -0.13 -1.86 116.42 120.80 2obu h ASP 15 Ca 0.05 0.06 -0.09 0.00 0.42 0.00 0.00 57.03 57.47 2obu h ASP 15 Cb 0.42 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.42 2obu h ASP 15 CO -0.18 0.29 -0.43 0.50 -2.88 0.00 0.00 179.24 176.55 2obu h LYS 16 N 0.65 0.00 0.01 0.28 1.63 0.66 -3.16 116.57 116.64 2obu h LYS 16 Ca 0.36 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 60.16 2obu h LYS 16 Cb 0.36 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.99 2obu h LYS 16 CO -0.26 0.43 -0.01 0.82 -3.45 0.00 0.00 179.45 176.98 2obu h ILE 17 N 0.00 1.29 -0.86 2.00 2.04 0.11 0.35 117.51 122.44 2obu h ILE 17 Ca -0.00 -0.93 0.04 0.00 1.00 0.00 0.00 64.86 64.96 2obu h ILE 17 Cb 1.16 1.92 -0.05 0.00 -0.74 0.00 0.00 36.82 39.12 2obu h ILE 17 CO 0.06 0.24 0.55 1.12 0.00 0.00 0.00 178.15 180.12 2obu h HIS 18 N -0.42 1.04 0.01 1.37 2.07 -1.60 0.24 115.15 117.86 2obu h HIS 18 Ca -0.00 0.03 -0.00 0.00 -2.85 0.00 0.00 60.37 57.54 2obu h HIS 18 Cb 0.41 -0.34 0.00 0.00 2.57 0.00 0.00 27.41 30.05 2obu h HIS 18 CO 0.06 0.59 -0.01 0.37 -3.07 0.00 0.00 177.93 175.88 2obu h GLN 19 N 1.07 -0.01 -0.44 5.12 4.15 -1.48 -0.12 115.11 123.40 2obu h GLN 19 Ca 0.35 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.75 2obu h GLN 19 Cb 0.02 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.69 2obu h GLN 19 CO -0.12 0.15 0.20 0.37 -1.93 0.00 0.00 178.83 177.50 2obu h GLN 20 N -0.17 0.64 -0.65 1.69 5.75 0.28 0.29 115.11 122.94 2obu h GLN 20 Ca -0.00 -0.10 0.06 0.00 -0.15 0.00 0.00 58.65 58.46 2obu h GLN 20 Cb 0.17 -0.11 -0.06 0.00 1.07 0.00 0.00 27.48 28.55 2obu h GLN 20 CO 0.00 0.56 0.34 0.22 -2.65 0.00 0.00 178.83 177.30 2obu h ASP 21 N 0.57 0.49 -0.39 -0.69 3.58 -0.49 0.20 116.42 119.70 2obu h ASP 21 Ca 0.15 0.04 -0.11 0.00 0.42 0.00 0.00 57.03 57.53 2obu h ASP 21 Cb 0.14 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.11 2obu h ASP 21 CO -0.02 0.31 -0.15 0.15 -2.88 0.00 0.00 179.24 176.65 2obu h PHE 22 N 0.63 0.96 0.54 0.28 3.57 0.28 0.55 116.94 123.75 2obu h PHE 22 Ca 0.30 -0.20 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 2obu h PHE 22 Cb 0.22 -0.24 0.01 0.00 2.79 0.00 0.00 35.95 38.73 2obu h PHE 22 CO -0.09 0.95 -0.26 0.28 -2.23 0.00 0.00 178.31 176.95 2obu h VAL 23 N 0.76 0.08 -0.46 1.41 2.07 0.18 -0.73 116.25 119.56 2obu h VAL 23 Ca 0.12 -0.47 0.10 0.00 0.82 0.00 0.00 66.70 67.27 2obu h VAL 23 Cb 0.67 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 2obu h VAL 23 CO 0.05 0.02 0.32 -0.55 0.02 0.00 0.00 177.57 177.42 2obu h ASN 24 N -1.16 0.18 0.31 0.57 7.08 -0.64 0.23 115.58 122.15 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 0.59 -0.03 0.00 0.00 -2.08 0.00 0.00 38.32 36.80 2obu h ASN 24 CO 0.12 0.11 -0.15 -0.25 -2.08 0.00 0.00 177.43 175.18 2obu h TRP 25 N 0.20 -0.39 -0.86 4.14 7.01 -0.80 0.10 115.95 125.35 2obu h TRP 25 Ca 0.21 -0.01 0.11 0.00 2.11 0.00 0.00 58.89 61.31 2obu h TRP 25 Cb 0.59 0.13 -0.08 0.00 -2.10 0.00 0.00 29.16 27.70 2obu h TRP 25 CO -0.00 -0.20 0.50 -0.07 -2.79 0.00 0.00 178.44 175.87 2obu h LEU 26 N -0.47 0.70 -1.37 0.65 3.38 0.89 0.24 115.31 119.34 2obu h LEU 26 Ca -0.04 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2obu h LEU 26 Cb 0.36 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 2obu h LEU 26 CO 0.07 0.38 0.29 -0.07 0.09 0.00 0.00 178.44 179.20 2obu h LEU 27 N 0.80 0.64 -2.41 1.67 3.38 -0.43 -0.10 115.31 118.86 2obu h LEU 27 Ca 0.43 -0.04 -0.12 0.00 0.09 0.00 0.00 57.88 58.24 2obu h LEU 27 Cb 0.44 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 40.96 2obu h LEU 27 CO -0.27 0.51 0.15 0.00 0.09 0.00 0.00 178.44 178.92 2obu n ALA 28 N -2.46 3.24 -2.72 1.53 0.00 0.82 -0.58 120.51 120.34 2obu n ALA 28 Ca 0.05 -0.71 -0.05 0.00 0.00 0.00 0.00 53.44 52.73 2obu n ALA 28 Cb 0.09 -1.10 0.04 0.00 0.00 0.00 0.00 19.45 18.48 2obu n ALA 28 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2obu n GLN 29 N 0.09 1.74 0.00 0.00 1.13 -0.05 -4.71 117.38 115.58 2obu n GLN 29 Ca 0.14 -3.51 0.00 0.00 -1.94 0.00 0.00 57.00 51.69 2obu n GLN 29 Cb 0.76 -1.57 0.00 0.00 0.11 0.00 0.00 30.24 29.55 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 -0.45 0.00 0.03 -1.09 -0.00 -1.24 -4.94 118.16 110.47 2obu n LYS 30 Ca 0.11 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.28 2obu n LYS 30 Cb 0.81 0.00 -0.08 0.00 -0.00 0.00 0.00 35.03 35.77 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 -0.87 -5.03 2.58 0.00 -1.06 -3.38 103.07 95.31 2obu h GLY 31 Ca 0.00 0.57 -0.21 0.00 0.00 0.00 0.00 47.33 47.68 2obu h GLY 31 CO 0.00 -0.23 -0.44 1.17 0.00 0.00 0.00 176.54 177.04 2obu n LYS 32 N -5.45 1.29 -0.10 4.80 3.00 -1.26 -5.02 118.16 115.43 2obu n LYS 32 Ca -0.06 -1.81 -0.16 0.00 -0.00 0.00 0.00 58.31 56.28 2obu n LYS 32 Cb 0.38 -0.06 -0.07 0.00 0.00 0.00 0.00 35.03 35.27 2obu n LYS 32 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2obu n LYS 33 N -0.91 0.53 -0.02 1.64 3.00 -1.26 -1.65 118.16 119.48 2obu n LYS 33 Ca -0.07 0.49 0.12 0.00 -0.00 0.00 0.00 58.31 58.86 2obu n LYS 33 Cb 0.86 -1.67 0.55 0.00 0.00 0.00 0.00 35.03 34.76 2obu n LYS 33 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.40 176.49 2obu h ASN 34 N -1.00 0.26 0.57 3.14 4.21 -1.93 -1.27 115.58 119.57 2obu h ASN 34 Ca -0.26 0.00 -0.28 0.00 1.21 0.00 0.00 56.30 56.98 2obu h ASN 34 Cb 1.06 -0.05 -0.02 0.00 -1.12 0.00 0.00 38.32 38.19 2obu h ASN 34 CO -0.15 0.16 -1.47 -0.78 -1.29 0.00 0.00 177.43 173.90 2obu h ASP 35 N 0.30 0.23 -6.62 5.81 3.58 -1.96 -3.47 116.42 114.28 2obu h ASP 35 Ca 0.23 -0.33 -0.53 0.00 0.42 0.00 0.00 57.03 56.83 2obu h ASP 35 Cb 0.52 -0.07 -0.15 0.00 1.72 0.00 0.00 39.33 41.34 2obu h ASP 35 CO -0.05 1.27 -0.82 -2.67 -2.88 0.00 0.00 179.24 174.09 2obu n TRP 36 N -3.35 -1.86 -3.78 0.28 4.27 -0.48 -2.32 117.44 110.20 2obu n TRP 36 Ca -0.13 0.82 -0.24 0.00 -3.89 0.00 0.00 57.50 54.06 2obu n TRP 36 Cb 1.02 -3.28 0.02 0.00 -1.36 0.00 0.00 31.31 27.71 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 -4.46 -3.83 0.11 -2.67 4.01 -1.26 -4.75 118.16 105.32 2obu n LYS 37 Ca 0.02 0.53 0.00 0.00 -0.51 0.00 0.00 58.31 58.35 2obu n LYS 37 Cb 0.52 -4.84 0.00 0.00 -0.51 0.00 0.00 35.03 30.20 2obu n LYS 37 CO 0.00 0.00 0.00 1.58 -1.11 0.00 0.00 177.40 177.87 2obu n HIS 38 N -4.28 -3.46 0.17 2.13 -0.00 -0.98 -4.92 115.22 103.87 2obu n HIS 38 Ca -0.28 0.78 0.19 0.00 0.46 0.00 0.00 57.72 58.87 2obu n HIS 38 Cb 0.67 2.17 0.79 0.00 -0.12 0.00 0.00 29.99 33.51 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 0.00 -1.13 0.26 -0.73 -1.81 -3.34 115.58 108.83 2obu h ASN 39 Ca 0.00 0.00 -0.31 0.00 1.87 0.00 0.00 56.30 57.86 2obu h ASN 39 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.59 2obu h ASN 39 CO 0.00 0.00 1.12 -0.38 -0.37 0.00 0.00 177.43 177.80 2obu n ILE 40 N -3.61 -0.06 0.15 2.57 5.41 -1.26 -4.74 119.36 117.83 2obu n ILE 40 Ca 0.04 -0.68 -0.00 0.00 1.00 0.00 0.00 62.75 63.11 2obu n ILE 40 Cb 0.48 -2.45 0.22 0.00 -0.71 0.00 0.00 39.64 37.18 2obu n ILE 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2obu h THR 41 N 7.70 1.37 0.00 1.39 1.03 -2.02 -3.51 112.91 118.86 2obu h THR 41 Ca -0.15 -1.93 0.00 0.00 -0.01 0.00 0.00 66.41 64.32 2obu h THR 41 Cb 1.18 2.05 0.00 0.00 -1.07 0.00 0.00 68.15 70.31 2obu h THR 41 CO 1.12 0.55 0.00 0.00 -0.01 0.00 0.00 175.52 177.18