#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 3.81 0.32 -3.48 0.00 -1.26 -4.99 121.76 116.17 2obu s ALA 2 Ca 0.00 -0.49 0.01 0.00 0.00 0.00 0.00 51.96 51.47 2obu s ALA 2 Cb 0.00 -2.13 0.54 0.00 0.00 0.00 0.00 23.12 21.53 2obu s ALA 2 CO 0.00 0.60 1.96 1.49 0.00 0.00 0.00 175.76 179.80 2obu h GLU 3 N 4.37 0.88 0.00 0.00 4.57 -2.08 -2.66 114.58 119.66 2obu h GLU 3 Ca -0.52 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 57.58 2obu h GLU 3 Cb 1.21 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.62 2obu h GLU 3 CO 0.63 0.63 0.07 0.41 -1.18 0.00 0.00 179.01 179.58 2obu n GLY 4 N -1.29 -0.26 0.38 1.92 0.00 -1.26 -2.64 105.19 102.05 2obu n GLY 4 Ca 0.06 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.25 2obu n GLY 4 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2obu h THR 5 N 0.00 0.67 -0.22 2.61 1.35 -1.89 0.24 112.91 115.67 2obu h THR 5 Ca 0.00 -0.20 -0.18 0.00 -0.55 0.00 0.00 66.41 65.47 2obu h THR 5 Cb 0.15 0.03 0.00 0.00 -1.73 0.00 0.00 68.15 66.60 2obu h THR 5 CO 0.00 0.11 -0.58 2.19 -0.25 0.00 0.00 175.52 176.99 2obu h PHE 6 N 0.59 0.99 -0.41 4.73 -5.15 -1.80 -1.09 116.94 114.81 2obu h PHE 6 Ca 0.55 -0.39 0.04 0.00 -0.20 0.00 0.00 57.97 57.97 2obu h PHE 6 Cb 1.08 -0.17 -0.04 0.00 0.22 0.00 0.00 35.95 37.04 2obu h PHE 6 CO -0.00 1.20 0.18 0.82 -2.00 0.00 0.00 178.31 178.50 2obu h ILE 7 N 0.51 0.93 -0.19 0.88 1.08 -1.28 0.33 117.51 119.75 2obu h ILE 7 Ca -0.01 -0.12 0.00 0.00 -0.39 0.00 0.00 64.86 64.34 2obu h ILE 7 Cb 1.19 0.53 -0.01 0.00 -3.07 0.00 0.00 36.82 35.47 2obu h ILE 7 CO 0.12 0.07 0.13 -1.28 -0.69 0.00 0.00 178.15 176.50 2obu h SER 8 N 0.36 0.22 -0.95 1.72 0.87 -0.49 0.22 113.55 115.50 2obu h SER 8 Ca 0.18 -0.01 0.03 0.00 -1.23 0.00 0.00 61.79 60.76 2obu h SER 8 Cb 0.13 -0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 61.98 2obu h SER 8 CO -0.16 0.16 0.63 -0.78 -0.53 0.00 0.00 176.83 176.15 2obu h ASP 9 N 0.26 1.06 -0.25 6.23 1.82 -0.55 0.16 116.42 125.15 2obu h ASP 9 Ca 0.07 -0.02 -0.10 0.00 -0.39 0.00 0.00 57.03 56.60 2obu h ASP 9 Cb -0.03 -0.25 -0.00 0.00 0.68 0.00 0.00 39.33 39.73 2obu h ASP 9 CO -0.02 0.74 -0.22 0.22 -1.61 0.00 0.00 179.24 178.35 2obu h TYR 10 N 1.23 0.70 -0.36 0.28 3.20 0.42 0.19 116.97 122.64 2obu h TYR 10 Ca 0.37 -0.21 -0.05 0.00 3.14 0.00 0.00 58.73 61.99 2obu h TYR 10 Cb -0.04 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.06 2obu h TYR 10 CO -0.00 0.90 0.04 1.03 -1.64 0.00 0.00 178.16 178.49 2obu h SER 11 N 0.30 0.58 0.17 -2.11 0.87 -0.29 0.15 113.55 113.23 2obu h SER 11 Ca 0.04 -0.28 -0.00 0.00 -1.23 0.00 0.00 61.79 60.32 2obu h SER 11 Cb 0.78 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.57 2obu h SER 11 CO 0.06 0.72 -0.12 0.40 -0.53 0.00 0.00 176.83 177.35 2obu h ILE 12 N 0.43 0.74 -0.85 2.23 2.04 -0.65 0.36 117.51 121.81 2obu h ILE 12 Ca 0.11 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.12 2obu h ILE 12 Cb 0.39 0.74 -0.10 0.00 -0.74 0.00 0.00 36.82 37.12 2obu h ILE 12 CO 0.01 0.00 0.43 0.00 0.00 0.00 0.00 178.15 178.60 2obu h ALA 13 N 0.53 1.29 0.10 1.87 0.00 -0.37 0.81 119.26 123.48 2obu h ALA 13 Ca -0.01 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.00 2obu h ALA 13 Cb 0.26 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2obu h ALA 13 CO -0.00 -0.11 -0.13 1.98 0.00 0.00 0.00 179.25 180.99 2obu h MET 14 N 0.61 -0.25 -0.05 0.00 -1.53 0.29 0.52 114.93 114.51 2obu h MET 14 Ca 0.47 0.02 -0.03 0.00 -3.44 0.00 0.00 59.70 56.71 2obu h MET 14 Cb 0.69 0.06 -0.01 0.00 -0.55 0.00 0.00 31.60 31.79 2obu h MET 14 CO -0.38 -0.17 -0.13 0.22 0.14 0.00 0.00 176.91 176.60 2obu h ASP 15 N -0.26 0.07 0.82 1.39 1.82 0.12 -3.08 116.42 117.31 2obu h ASP 15 Ca 0.01 -0.01 -0.04 0.00 -0.39 0.00 0.00 57.03 56.60 2obu h ASP 15 Cb 0.27 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.25 2obu h ASP 15 CO -0.06 0.21 -1.20 1.17 -1.61 0.00 0.00 179.24 177.75 2obu n LYS 16 N -4.35 0.61 0.11 0.28 3.00 0.26 -3.56 118.16 114.52 2obu n LYS 16 Ca -0.02 0.11 -0.12 0.00 -0.00 0.00 0.00 58.31 58.28 2obu n LYS 16 Cb 0.22 -1.79 -0.08 0.00 0.00 0.00 0.00 35.03 33.39 2obu n LYS 16 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 2obu h ILE 17 N 0.00 0.74 -0.86 3.15 2.04 0.10 0.24 117.51 122.92 2obu h ILE 17 Ca -0.04 -0.84 0.07 0.00 1.00 0.00 0.00 64.86 65.04 2obu h ILE 17 Cb 1.14 1.16 -0.06 0.00 -0.74 0.00 0.00 36.82 38.32 2obu h ILE 17 CO 0.01 0.16 0.56 1.12 0.00 0.00 0.00 178.15 180.00 2obu h HIS 18 N -0.82 0.98 -0.08 1.37 2.07 -1.74 0.25 115.15 117.18 2obu h HIS 18 Ca -0.03 0.03 -0.01 0.00 -2.85 0.00 0.00 60.37 57.50 2obu h HIS 18 Cb 0.51 -0.32 -0.00 0.00 2.57 0.00 0.00 27.41 30.17 2obu h HIS 18 CO 0.05 0.51 -0.00 0.37 -3.07 0.00 0.00 177.93 175.79 2obu h GLN 19 N 0.96 0.14 -0.42 5.12 5.75 -1.58 0.78 115.11 125.86 2obu h GLN 19 Ca 0.37 -0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 58.79 2obu h GLN 19 Cb 0.22 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.74 2obu h GLN 19 CO -0.14 0.42 0.14 0.37 -2.65 0.00 0.00 178.83 176.97 2obu h GLN 20 N -0.15 0.65 -0.71 1.69 5.75 0.07 0.98 115.11 123.39 2obu h GLN 20 Ca 0.02 -0.14 0.09 0.00 -0.15 0.00 0.00 58.65 58.47 2obu h GLN 20 Cb 0.36 -0.10 -0.07 0.00 1.07 0.00 0.00 27.48 28.75 2obu h GLN 20 CO 0.00 0.64 0.37 0.22 -2.65 0.00 0.00 178.83 177.41 2obu h ASP 21 N 0.54 0.51 -0.56 -0.69 1.82 -0.45 0.24 116.42 117.81 2obu h ASP 21 Ca 0.14 0.05 -0.11 0.00 -0.39 0.00 0.00 57.03 56.72 2obu h ASP 21 Cb 0.25 -0.04 -0.02 0.00 0.68 0.00 0.00 39.33 40.21 2obu h ASP 21 CO -0.01 0.30 -0.07 0.15 -1.61 0.00 0.00 179.24 178.00 2obu h PHE 22 N 0.64 1.16 0.59 0.28 3.57 0.11 0.19 116.94 123.48 2obu h PHE 22 Ca 0.34 -0.22 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 2obu h PHE 22 Cb 0.32 -0.29 0.01 0.00 2.79 0.00 0.00 35.95 38.78 2obu h PHE 22 CO -0.10 1.05 -0.28 0.28 -2.23 0.00 0.00 178.31 177.03 2obu h VAL 23 N 0.94 0.20 -0.07 1.41 2.07 -0.05 -0.77 116.25 119.98 2obu h VAL 23 Ca 0.15 -0.38 0.02 0.00 0.82 0.00 0.00 66.70 67.31 2obu h VAL 23 Cb 0.63 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 2obu h VAL 23 CO 0.04 0.03 0.05 -0.55 0.02 0.00 0.00 177.57 177.17 2obu h ASN 24 N -1.11 0.00 -0.35 0.57 7.08 -0.55 0.17 115.58 121.39 2obu h ASN 24 Ca -0.08 0.00 -0.04 0.00 -3.08 0.00 0.00 56.30 53.09 2obu h ASN 24 Cb 0.66 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.88 2obu h ASN 24 CO 0.13 0.00 0.05 -0.25 -2.08 0.00 0.00 177.43 175.28 2obu h TRP 25 N 0.00 0.63 0.16 4.14 7.01 -0.46 0.26 115.95 127.70 2obu h TRP 25 Ca 0.03 -0.09 -0.01 0.00 2.11 0.00 0.00 58.89 60.93 2obu h TRP 25 Cb 0.14 -0.17 0.00 0.00 -2.10 0.00 0.00 29.16 27.03 2obu h TRP 25 CO 0.00 0.66 -0.08 -0.07 -2.79 0.00 0.00 178.44 176.16 2obu h LEU 26 N 0.42 -0.18 -0.59 0.65 3.38 0.73 0.18 115.31 119.91 2obu h LEU 26 Ca 0.11 -0.10 0.06 0.00 0.09 0.00 0.00 57.88 58.04 2obu h LEU 26 Cb 0.37 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 2obu h LEU 26 CO 0.01 -0.02 0.30 -0.07 0.09 0.00 0.00 178.44 178.75 2obu h LEU 27 N -0.34 0.42 -0.51 1.67 3.38 -0.71 0.34 115.31 119.56 2obu h LEU 27 Ca -0.02 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.00 2obu h LEU 27 Cb 0.26 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 2obu h LEU 27 CO 0.04 0.27 0.33 0.00 0.09 0.00 0.00 178.44 179.16 2obu h ALA 28 N 1.33 0.65 -0.98 1.53 0.00 -0.32 0.05 119.26 121.52 2obu h ALA 28 Ca 0.27 -0.03 -0.74 0.00 0.00 0.00 0.00 54.91 54.42 2obu h ALA 28 Cb 0.20 -0.19 -0.27 0.00 0.00 0.00 0.00 17.79 17.54 2obu h ALA 28 CO -0.19 0.06 1.00 0.94 0.00 0.00 0.00 179.25 181.05 2obu n GLN 29 N -4.76 2.71 0.09 0.00 7.27 0.63 -3.72 117.38 119.61 2obu n GLN 29 Ca 0.03 -3.40 0.00 0.00 0.07 0.00 0.00 57.00 53.70 2obu n GLN 29 Cb 0.04 -2.26 0.00 0.00 2.41 0.00 0.00 30.24 30.43 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 -0.55 0.00 0.11 3.69 4.81 0.10 -4.58 118.16 121.74 2obu n LYS 30 Ca 0.55 0.00 0.19 0.00 -0.87 0.00 0.00 58.31 58.19 2obu n LYS 30 Cb 0.34 0.00 0.76 0.00 0.02 0.00 0.00 35.03 36.15 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 -1.20 0.50 103.07 105.50 2obu h GLY 31 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.01 2obu h GLY 31 CO 0.00 0.00 -2.16 0.28 0.00 0.00 0.00 176.54 174.66 2obu n LYS 32 N -3.85 0.48 0.15 4.80 4.01 -1.24 -4.09 118.16 118.42 2obu n LYS 32 Ca 0.06 0.14 -0.11 0.00 -0.51 0.00 0.00 58.31 57.89 2obu n LYS 32 Cb 0.52 -1.35 -0.06 0.00 -0.51 0.00 0.00 35.03 33.63 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 -0.26 -0.43 -0.01 1.97 3.11 -1.68 0.67 116.57 119.95 2obu h LYS 33 Ca -0.48 0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.39 2obu h LYS 33 Cb 1.62 0.10 -0.00 0.00 -1.00 0.00 0.00 32.23 32.94 2obu h LYS 33 CO -0.16 -0.12 0.01 -0.97 -2.81 0.00 0.00 179.45 175.40 2obu h ASN 34 N -0.97 0.00 1.56 4.20 -1.24 -1.15 0.27 115.58 118.26 2obu h ASN 34 Ca -0.05 0.00 -0.09 0.00 0.71 0.00 0.00 56.30 56.88 2obu h ASN 34 Cb 0.51 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.55 2obu h ASN 34 CO 0.07 0.00 -0.41 -0.78 -1.29 0.00 0.00 177.43 175.03 2obu h ASP 35 N 0.00 0.00 -6.23 1.15 3.58 -1.47 -3.49 116.42 109.97 2obu h ASP 35 Ca 0.01 0.00 -0.43 0.00 0.42 0.00 0.00 57.03 57.03 2obu h ASP 35 Cb 0.02 0.00 0.08 0.00 1.72 0.00 0.00 39.33 41.16 2obu h ASP 35 CO -0.00 0.41 -0.93 -2.67 -2.88 0.00 0.00 179.24 173.17 2obu n TRP 36 N -3.21 -1.93 -3.86 0.28 4.27 0.23 -0.80 117.44 112.43 2obu n TRP 36 Ca 0.02 0.46 -0.30 0.00 -3.89 0.00 0.00 57.50 53.80 2obu n TRP 36 Cb 0.69 -3.42 0.02 0.00 -1.36 0.00 0.00 31.31 27.24 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 -4.12 -5.22 0.00 -2.67 4.76 -1.20 -3.75 118.16 105.95 2obu n LYS 37 Ca -0.09 0.59 0.00 0.00 -2.87 0.00 0.00 58.31 55.93 2obu n LYS 37 Cb 0.59 -5.46 0.00 0.00 -1.84 0.00 0.00 35.03 28.32 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 -4.61 0.00 0.00 2.13 -0.00 0.02 -2.67 115.22 110.08 2obu n HIS 38 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.76 2obu n HIS 38 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.52 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 0.86 0.85 -2.54 0.26 5.15 -1.25 -4.97 115.26 113.62 2obu n ASN 39 Ca 0.00 0.00 -0.31 0.00 -0.60 0.00 0.00 54.58 53.67 2obu n ASN 39 Cb 0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.22 2obu n ASN 39 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 2obu n ILE 40 N -2.17 0.51 0.01 -1.44 5.41 -1.09 -4.83 119.36 115.76 2obu n ILE 40 Ca 0.00 -0.13 -0.11 0.00 1.00 0.00 0.00 62.75 63.51 2obu n ILE 40 Cb 0.17 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 39.04 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 1.20 1.04 0.00 1.39 1.03 -1.89 -3.41 112.91 112.27 2obu h THR 41 Ca -0.23 -0.11 0.00 0.00 -0.01 0.00 0.00 66.41 66.06 2obu h THR 41 Cb 0.82 1.00 0.00 0.00 -1.07 0.00 0.00 68.15 68.90 2obu h THR 41 CO 0.35 0.04 0.00 1.67 -0.01 0.00 0.00 175.52 177.57