#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ocz s THR 2 N 0.00 0.89 0.02 9.51 -4.23 -1.26 -5.16 115.64 115.41 1ocz s THR 2 Ca 0.00 -1.25 -0.15 0.00 -1.18 0.00 0.00 61.69 59.10 1ocz s THR 2 Cb 0.00 -0.93 0.03 0.00 1.34 0.00 0.00 72.50 72.94 1ocz s THR 2 CO 0.00 -0.31 0.34 0.00 -0.54 0.00 0.00 174.62 174.10 1ocz s ALA 3 N -1.42 -0.81 0.69 3.99 0.00 -1.26 -5.14 121.76 117.81 1ocz s ALA 3 Ca -0.04 0.24 -0.15 0.00 0.00 0.00 0.00 51.96 52.00 1ocz s ALA 3 Cb -0.09 0.21 0.02 0.00 0.00 0.00 0.00 23.12 23.25 1ocz s ALA 3 CO 0.01 -0.35 1.16 0.15 0.00 0.00 0.00 175.76 176.73 1ocz s LYS 4 N -1.96 2.51 1.12 0.00 1.02 -1.26 -4.98 119.74 116.18 1ocz s LYS 4 Ca -0.09 1.59 -0.13 0.00 0.02 0.00 0.00 55.97 57.36 1ocz s LYS 4 Cb -0.03 -1.90 0.26 0.00 -0.52 0.00 0.00 37.83 35.64 1ocz s LYS 4 CO 0.01 -1.51 1.05 -1.25 -0.92 0.00 0.00 175.35 172.72 1ocz s PRO 5 N -3.95 -0.54 0.03 -1.68 0.04 -1.26 -4.90 135.00 122.74 1ocz s PRO 5 Ca 0.71 0.74 -0.30 0.00 0.04 0.00 0.00 61.00 62.18 1ocz s PRO 5 Cb -0.25 -1.61 -0.07 0.00 0.04 0.00 0.00 34.50 32.62 1ocz s PRO 5 CO 0.42 -3.44 1.55 0.00 0.04 0.00 0.00 177.00 175.57 1ocz s ALA 6 N -2.62 3.64 0.48 8.56 0.00 -1.26 -4.88 121.76 125.68 1ocz s ALA 6 Ca 0.67 1.05 0.21 0.00 0.00 0.00 0.00 51.96 53.89 1ocz s ALA 6 Cb -0.23 -3.66 1.31 0.00 0.00 0.00 0.00 23.12 20.55 1ocz s ALA 6 CO 0.62 -1.05 2.09 0.87 0.00 0.00 0.00 175.76 178.30 1ocz h LYS 7 N 8.21 0.00 -1.42 0.00 1.57 -2.04 -3.27 116.57 119.62 1ocz h LYS 7 Ca -0.40 0.00 -0.45 0.00 -1.87 0.00 0.00 60.65 57.93 1ocz h LYS 7 Cb 1.19 0.00 -0.32 0.00 0.08 0.00 0.00 32.23 33.18 1ocz h LYS 7 CO 0.92 0.10 -0.94 0.25 -0.57 0.00 0.00 179.45 179.21 1ocz n THR 8 N -4.13 -0.40 -1.43 -0.16 -2.24 -1.26 -5.13 114.28 99.53 1ocz n THR 8 Ca -0.03 -3.38 -0.39 0.00 -2.27 0.00 0.00 64.05 57.99 1ocz n THR 8 Cb 0.18 -0.64 0.03 0.00 -2.10 0.00 0.00 70.33 67.80 1ocz n THR 8 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1ocz n PRO 9 N 1.17 0.44 -3.73 -0.78 -0.04 -1.24 -4.96 135.00 125.88 1ocz n PRO 9 Ca 0.18 0.17 -0.37 0.00 -0.04 0.00 0.00 63.50 63.44 1ocz n PRO 9 Cb 0.59 -1.57 -0.11 0.00 -0.04 0.00 0.00 33.50 32.37 1ocz n PRO 9 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1ocz s THR 10 N -1.74 3.50 0.60 0.52 2.01 -1.26 -5.10 115.64 114.17 1ocz s THR 10 Ca 0.66 -2.04 -0.20 0.00 0.31 0.00 0.00 61.69 60.43 1ocz s THR 10 Cb -0.47 -3.37 -0.03 0.00 0.01 0.00 0.00 72.50 68.63 1ocz s THR 10 CO 0.57 -0.72 1.32 -0.94 -0.69 0.00 0.00 174.62 174.16 1ocz s SER 11 N 1.96 4.95 0.34 3.53 1.04 -1.26 -4.63 113.70 119.63 1ocz s SER 11 Ca 0.08 2.68 0.14 0.00 0.48 0.00 0.00 55.95 59.33 1ocz s SER 11 Cb -0.23 -2.63 1.10 0.00 0.10 0.00 0.00 66.02 64.36 1ocz s SER 11 CO -0.03 -1.78 1.63 -0.65 0.98 0.00 0.00 173.24 173.38 1ocz h PRO 12 N 1.00 0.17 0.05 4.02 0.11 -1.98 0.74 132.00 136.11 1ocz h PRO 12 Ca -0.51 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.60 1ocz h PRO 12 Cb 1.32 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.37 1ocz h PRO 12 CO 0.55 0.11 -0.12 0.87 -0.21 0.00 0.00 178.00 179.21 1ocz h LYS 13 N 0.17 -0.22 -0.21 1.05 6.56 -2.00 -0.51 116.57 121.42 1ocz h LYS 13 Ca 0.74 0.01 0.04 0.00 -1.06 0.00 0.00 60.65 60.38 1ocz h LYS 13 Cb 1.75 0.05 -0.03 0.00 -0.57 0.00 0.00 32.23 33.43 1ocz h LYS 13 CO -0.70 -0.14 -0.00 0.93 -2.06 0.00 0.00 179.45 177.48 1ocz h GLU 14 N -0.22 0.06 -0.76 3.15 5.08 0.13 -1.44 114.58 120.57 1ocz h GLU 14 Ca 0.03 -0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.50 1ocz h GLU 14 Cb 0.25 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 1ocz h GLU 14 CO -0.08 0.04 0.50 1.96 -1.00 0.00 0.00 179.01 180.43 1ocz h GLN 15 N 0.06 0.56 -0.26 2.33 4.20 -0.81 0.11 115.11 121.29 1ocz h GLN 15 Ca 0.10 -0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.68 1ocz h GLN 15 Cb 0.13 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 1ocz h GLN 15 CO -0.17 0.37 -0.21 0.00 -0.67 0.00 0.00 178.83 178.15 1ocz h ALA 16 N 1.63 0.38 0.37 3.87 0.00 -0.09 0.11 119.26 125.54 1ocz h ALA 16 Ca 0.36 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1ocz h ALA 16 Cb 0.62 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1ocz h ALA 16 CO -0.13 0.32 -0.23 0.82 0.00 0.00 0.00 179.25 180.03 1ocz h ILE 17 N 0.33 0.52 -0.90 0.00 2.04 -0.26 -0.34 117.51 118.90 1ocz h ILE 17 Ca 0.05 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.93 1ocz h ILE 17 Cb 0.75 0.52 -0.05 0.00 -0.74 0.00 0.00 36.82 37.30 1ocz h ILE 17 CO 0.05 0.00 0.59 1.23 0.00 0.00 0.00 178.15 180.03 1ocz h GLY 18 N -0.58 1.28 1.15 5.37 0.00 -1.07 0.15 103.07 109.38 1ocz h GLY 18 Ca -0.04 -0.46 -0.12 0.00 0.00 0.00 0.00 47.33 46.71 1ocz h GLY 18 CO 0.04 0.42 -0.18 -2.00 0.00 0.00 0.00 176.54 174.81 1ocz h LEU 19 N 1.17 0.99 0.92 3.11 6.46 -0.76 -2.55 115.31 124.65 1ocz h LEU 19 Ca 0.35 -0.36 -0.05 0.00 -0.12 0.00 0.00 57.88 57.70 1ocz h LEU 19 Cb -0.05 -0.27 0.01 0.00 -0.73 0.00 0.00 40.66 39.62 1ocz h LEU 19 CO -0.09 1.15 -0.44 0.28 -0.62 0.00 0.00 178.44 178.71 1ocz h SER 20 N 0.85 -1.05 -0.80 1.25 0.02 -0.31 -2.19 113.55 111.33 1ocz h SER 20 Ca 0.12 0.03 0.16 0.00 -0.84 0.00 0.00 61.79 61.26 1ocz h SER 20 Cb 0.75 0.27 -0.10 0.00 0.14 0.00 0.00 62.40 63.46 1ocz h SER 20 CO 0.06 -0.74 0.32 0.58 -1.14 0.00 0.00 176.83 175.91 1ocz h VAL 21 N -1.26 0.60 0.37 2.27 2.07 -0.77 -0.80 116.25 118.73 1ocz h VAL 21 Ca -0.13 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 1ocz h VAL 21 Cb 0.95 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1ocz h VAL 21 CO 0.21 0.08 -0.23 0.74 0.02 0.00 0.00 177.57 178.38 1ocz h THR 22 N 0.43 0.51 -0.64 2.57 2.02 -1.30 -1.03 112.91 115.48 1ocz h THR 22 Ca 0.45 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.66 1ocz h THR 22 Cb 0.74 0.51 -0.04 0.00 -1.74 0.00 0.00 68.15 67.62 1ocz h THR 22 CO -0.44 0.00 0.40 -0.26 0.37 0.00 0.00 175.52 175.59 1ocz h PHE 23 N -0.58 0.75 -0.32 3.16 -1.00 -0.99 -2.65 116.94 115.30 1ocz h PHE 23 Ca -0.04 0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.76 1ocz h PHE 23 Cb 0.48 -0.24 -0.02 0.00 3.61 0.00 0.00 35.95 39.78 1ocz h PHE 23 CO -0.10 0.43 0.19 -0.07 -1.61 0.00 0.00 178.31 177.15 1ocz h LEU 24 N 0.78 0.39 -2.78 1.54 -0.00 -0.98 0.41 115.31 114.67 1ocz h LEU 24 Ca 0.26 -0.06 -0.00 0.00 -0.00 0.00 0.00 57.88 58.07 1ocz h LEU 24 Cb 0.01 -0.10 -0.00 0.00 -0.00 0.00 0.00 40.66 40.57 1ocz h LEU 24 CO -0.10 0.34 -0.00 0.77 -0.00 0.00 0.00 178.44 179.45 1ocz h SER 25 N 0.41 0.00 0.20 -0.43 4.64 -0.85 0.12 113.55 117.65 1ocz h SER 25 Ca 0.12 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.08 1ocz h SER 25 Cb 0.03 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.09 1ocz h SER 25 CO -0.02 0.00 -1.96 0.49 -0.87 0.00 0.00 176.83 174.47 1ocz n PHE 26 N -3.23 1.15 0.03 4.77 3.01 -0.84 -4.57 117.46 117.77 1ocz n PHE 26 Ca -0.03 0.27 -0.12 0.00 1.01 0.00 0.00 57.45 58.59 1ocz n PHE 26 Cb 0.09 -1.16 -0.14 0.00 -0.01 0.00 0.00 39.48 38.26 1ocz n PHE 26 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1ocz h LEU 27 N 0.05 0.16 0.31 4.37 3.38 -0.10 -3.38 115.31 120.10 1ocz h LEU 27 Ca -0.40 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.31 1ocz h LEU 27 Cb 2.03 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.73 1ocz h LEU 27 CO 0.08 1.20 -0.15 -0.07 0.09 0.00 0.00 178.44 179.59 1ocz h LEU 28 N 0.03 -0.35 -0.70 1.67 3.38 -1.02 -1.44 115.31 116.88 1ocz h LEU 28 Ca -0.21 0.01 0.15 0.00 0.09 0.00 0.00 57.88 57.92 1ocz h LEU 28 Cb 1.95 0.09 -0.13 0.00 0.09 0.00 0.00 40.66 42.67 1ocz h LEU 28 CO 0.12 -0.19 -0.08 -0.65 0.09 0.00 0.00 178.44 177.73 1ocz h PRO 29 N -0.54 0.05 -0.33 1.13 0.11 -1.81 0.21 132.00 130.82 1ocz h PRO 29 Ca -0.04 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.03 1ocz h PRO 29 Cb 0.32 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 1ocz h PRO 29 CO 0.07 0.03 0.09 0.00 -0.21 0.00 0.00 178.00 177.98 1ocz h ALA 30 N 1.67 0.43 -0.50 -0.75 0.00 -1.74 -1.80 119.26 116.57 1ocz h ALA 30 Ca 0.36 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 55.18 1ocz h ALA 30 Cb 0.58 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 1ocz h ALA 30 CO -0.66 0.09 0.11 0.78 0.00 0.00 0.00 179.25 179.56 1ocz h GLY 31 N 0.38 0.62 0.88 0.00 0.00 0.43 0.14 103.07 105.51 1ocz h GLY 31 Ca 0.10 -0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 1ocz h GLY 31 CO -0.00 -0.06 -0.26 -0.25 0.00 0.00 0.00 176.54 175.96 1ocz h TRP 32 N 0.25 -0.69 -0.60 5.60 7.01 -0.62 0.34 115.95 127.23 1ocz h TRP 32 Ca 0.25 -0.01 0.10 0.00 2.11 0.00 0.00 58.89 61.34 1ocz h TRP 32 Cb 0.33 0.25 -0.08 0.00 -2.10 0.00 0.00 29.16 27.56 1ocz h TRP 32 CO -0.22 -0.41 0.20 0.28 -2.79 0.00 0.00 178.44 175.50 1ocz h VAL 33 N -0.66 0.73 0.00 2.65 2.07 -0.79 -1.82 116.25 118.42 1ocz h VAL 33 Ca -0.05 -0.12 -0.12 0.00 0.82 0.00 0.00 66.70 67.23 1ocz h VAL 33 Cb 0.54 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1ocz h VAL 33 CO 0.05 0.07 -0.58 -0.07 0.02 0.00 0.00 177.57 177.06 1ocz h LEU 34 N 0.36 0.00 -1.29 2.57 3.38 -0.46 -3.10 115.31 116.78 1ocz h LEU 34 Ca 0.31 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.21 1ocz h LEU 34 Cb 0.41 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1ocz h LEU 34 CO -0.33 0.58 -0.26 0.22 0.09 0.00 0.00 178.44 178.73 1ocz h TYR 35 N 0.00 0.16 -0.53 1.13 3.20 0.52 -3.04 116.97 118.42 1ocz h TYR 35 Ca -0.01 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.84 1ocz h TYR 35 Cb 1.13 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.35 1ocz h TYR 35 CO 0.00 0.40 0.00 0.72 -1.64 0.00 0.00 178.16 177.64 1ocz n HIS 36 N -4.18 1.83 -0.09 -3.82 8.25 -0.98 -4.67 115.22 111.56 1ocz n HIS 36 Ca -0.01 -0.74 -0.06 0.00 -0.26 0.00 0.00 57.72 56.65 1ocz n HIS 36 Cb 0.35 -0.45 0.00 0.00 1.12 0.00 0.00 29.99 31.01 1ocz n HIS 36 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1ocz h LEU 37 N 3.65 -0.27 -0.11 2.41 3.38 -1.55 -2.49 115.31 120.33 1ocz h LEU 37 Ca 0.00 0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.11 1ocz h LEU 37 Cb 1.83 0.19 -0.05 0.00 0.09 0.00 0.00 40.66 42.72 1ocz h LEU 37 CO 0.42 -0.09 -0.22 -0.78 0.09 0.00 0.00 178.44 177.86 1ocz h ASP 38 N 0.02 -0.66 -0.42 -0.43 3.58 -1.86 -0.13 116.42 116.52 1ocz h ASP 38 Ca 0.16 0.11 0.12 0.00 0.42 0.00 0.00 57.03 57.84 1ocz h ASP 38 Cb 0.24 0.30 -0.02 0.00 1.72 0.00 0.00 39.33 41.57 1ocz h ASP 38 CO -0.33 -0.27 0.49 0.78 -2.88 0.00 0.00 179.24 177.03 1ocz h ASN 39 N -0.29 0.00 0.13 2.28 4.21 -1.80 0.65 115.58 120.77 1ocz h ASN 39 Ca 0.09 0.00 -0.26 0.00 1.21 0.00 0.00 56.30 57.34 1ocz h ASN 39 Cb 0.42 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.63 1ocz h ASN 39 CO -0.27 0.00 -1.32 1.88 -1.29 0.00 0.00 177.43 176.43 1ocz h TYR 40 N 0.00 0.48 0.00 1.19 0.05 -0.72 -3.09 116.97 114.88 1ocz h TYR 40 Ca 0.20 -0.35 -0.04 0.00 0.05 0.00 0.00 58.73 58.58 1ocz h TYR 40 Cb 1.18 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.89 1ocz h TYR 40 CO 0.00 1.51 -0.21 0.87 -1.05 0.00 0.00 178.16 179.29 1ocz h LYS 41 N -0.29 0.00 -0.00 4.88 1.57 0.17 0.91 116.57 123.80 1ocz h LYS 41 Ca -0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1ocz h LYS 41 Cb 1.76 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.07 1ocz h LYS 41 CO 0.08 0.21 -0.19 1.63 -0.57 0.00 0.00 179.45 180.61 1ocz n LYS 42 N -3.74 0.62 -0.80 3.15 4.01 0.01 -5.10 118.16 116.32 1ocz n LYS 42 Ca -0.01 -0.28 0.00 0.00 -0.51 0.00 0.00 58.31 57.51 1ocz n LYS 42 Cb 0.32 -1.49 0.00 0.00 -0.51 0.00 0.00 35.03 33.34 1ocz n LYS 42 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72