#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 0.71 0.01 9.51 -4.23 -1.26 -5.16 115.64 115.21 1ocz s THR 2 Ca 0.00 -1.25 -0.17 0.00 -1.18 0.00 0.00 61.69 59.09 1ocz s THR 2 Cb 0.00 -0.86 0.03 0.00 1.34 0.00 0.00 72.50 73.01 1ocz s THR 2 CO 0.00 -0.41 0.37 0.00 -0.54 0.00 0.00 174.62 174.04 1ocz s ALA 3 N -1.64 -0.91 0.78 3.99 0.00 -1.26 -5.14 121.76 117.58 1ocz s ALA 3 Ca -0.05 0.36 -0.13 0.00 0.00 0.00 0.00 51.96 52.15 1ocz s ALA 3 Cb -0.08 0.17 0.07 0.00 0.00 0.00 0.00 23.12 23.28 1ocz s ALA 3 CO 0.00 -0.34 1.15 0.15 0.00 0.00 0.00 175.76 176.72 1ocz s LYS 4 N -1.79 1.93 0.98 0.00 1.02 -1.26 -4.98 119.74 115.64 1ocz s LYS 4 Ca -0.10 1.52 -0.12 0.00 0.02 0.00 0.00 55.97 57.29 1ocz s LYS 4 Cb -0.03 -1.83 0.18 0.00 -0.52 0.00 0.00 37.83 35.62 1ocz s LYS 4 CO 0.02 -1.95 1.08 -1.25 -0.92 0.00 0.00 175.35 172.34 1ocz s PRO 5 N -4.37 0.60 0.01 -1.68 0.04 -1.26 -4.90 135.00 123.44 1ocz s PRO 5 Ca 0.68 0.79 -0.30 0.00 0.04 0.00 0.00 61.00 62.21 1ocz s PRO 5 Cb -0.23 -1.74 -0.07 0.00 0.04 0.00 0.00 34.50 32.50 1ocz s PRO 5 CO 0.51 -2.68 1.79 0.00 0.04 0.00 0.00 177.00 176.65 1ocz s ALA 6 N -2.84 3.62 0.55 8.56 0.00 -1.26 -4.87 121.76 125.52 1ocz s ALA 6 Ca 0.65 1.16 0.21 0.00 0.00 0.00 0.00 51.96 53.98 1ocz s ALA 6 Cb -0.20 -3.78 1.47 0.00 0.00 0.00 0.00 23.12 20.61 1ocz s ALA 6 CO 0.59 -1.42 2.19 0.87 0.00 0.00 0.00 175.76 177.98 1ocz h LYS 7 N 9.75 0.00 -1.55 0.00 1.57 -2.04 -3.26 116.57 121.05 1ocz h LYS 7 Ca -0.44 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 57.86 1ocz h LYS 7 Cb 1.21 0.00 -0.33 0.00 0.08 0.00 0.00 32.23 33.18 1ocz h LYS 7 CO 0.94 0.00 -0.98 0.25 -0.57 0.00 0.00 179.45 179.10 1ocz n THR 8 N -4.30 -0.50 -1.48 -0.16 -2.24 -1.26 -5.13 114.28 99.21 1ocz n THR 8 Ca -0.03 -3.49 -0.39 0.00 -2.27 0.00 0.00 64.05 57.87 1ocz n THR 8 Cb 0.09 -1.04 0.03 0.00 -2.10 0.00 0.00 70.33 67.30 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 1.34 0.63 -3.66 -0.78 -0.04 -1.23 -4.96 135.00 126.30 1ocz n PRO 9 Ca 0.19 0.24 -0.39 0.00 -0.04 0.00 0.00 63.50 63.50 1ocz n PRO 9 Cb 0.56 -1.69 -0.10 0.00 -0.04 0.00 0.00 33.50 32.23 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 -1.60 3.77 0.59 0.52 2.01 -1.26 -5.09 115.64 114.59 1ocz s THR 10 Ca 0.67 -1.94 -0.20 0.00 0.31 0.00 0.00 61.69 60.53 1ocz s THR 10 Cb -0.50 -3.53 -0.03 0.00 0.01 0.00 0.00 72.50 68.45 1ocz s THR 10 CO 0.55 -0.74 1.33 -0.94 -0.69 0.00 0.00 174.62 174.14 1ocz s SER 11 N 2.24 4.98 0.36 3.53 1.04 -1.26 -4.63 113.70 119.96 1ocz s SER 11 Ca 0.07 2.71 0.18 0.00 0.48 0.00 0.00 55.95 59.39 1ocz s SER 11 Cb -0.24 -2.63 1.21 0.00 0.10 0.00 0.00 66.02 64.46 1ocz s SER 11 CO -0.02 -1.76 1.63 -0.65 0.98 0.00 0.00 173.24 173.41 1ocz h PRO 12 N 1.07 0.18 0.39 4.02 0.11 -1.98 0.68 132.00 136.47 1ocz h PRO 12 Ca -0.51 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 1ocz h PRO 12 Cb 1.32 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 1ocz h PRO 12 CO 0.55 0.12 -0.28 0.87 -0.21 0.00 0.00 178.00 179.05 1ocz h LYS 13 N 0.18 -0.64 -0.19 1.05 6.56 -2.00 -0.26 116.57 121.27 1ocz h LYS 13 Ca 0.78 0.04 0.06 0.00 -1.06 0.00 0.00 60.65 60.47 1ocz h LYS 13 Cb 1.94 0.15 -0.06 0.00 -0.57 0.00 0.00 32.23 33.68 1ocz h LYS 13 CO -0.66 -0.43 -0.24 0.93 -2.06 0.00 0.00 179.45 176.99 1ocz h GLU 14 N -0.66 -0.27 -0.91 3.15 5.08 -0.00 -0.37 114.58 120.61 1ocz h GLU 14 Ca -0.04 0.02 0.18 0.00 -1.00 0.00 0.00 59.36 58.52 1ocz h GLU 14 Cb 0.56 0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.80 1ocz h GLU 14 CO 0.01 -0.18 0.59 1.96 -1.00 0.00 0.00 179.01 180.39 1ocz h GLN 15 N -0.28 0.52 -0.33 2.33 4.20 -1.03 0.21 115.11 120.75 1ocz h GLN 15 Ca 0.12 -0.03 -0.13 0.00 0.06 0.00 0.00 58.65 58.67 1ocz h GLN 15 Cb 0.46 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 1ocz h GLN 15 CO -0.35 0.35 -0.30 0.00 -0.67 0.00 0.00 178.83 177.85 1ocz h ALA 16 N 1.61 0.48 0.54 3.87 0.00 0.63 0.59 119.26 126.99 1ocz h ALA 16 Ca 0.48 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1ocz h ALA 16 Cb 0.99 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1ocz h ALA 16 CO -0.21 0.51 -0.31 0.82 0.00 0.00 0.00 179.25 180.06 1ocz h ILE 17 N 0.56 0.36 -0.84 0.00 2.04 0.17 0.39 117.51 120.20 1ocz h ILE 17 Ca 0.06 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.99 1ocz h ILE 17 Cb 0.88 0.36 -0.07 0.00 -0.74 0.00 0.00 36.82 37.25 1ocz h ILE 17 CO 0.08 0.00 0.50 1.23 0.00 0.00 0.00 178.15 179.96 1ocz h GLY 18 N -0.80 1.28 1.16 5.37 0.00 -0.90 0.25 103.07 109.43 1ocz h GLY 18 Ca -0.07 -0.35 -0.09 0.00 0.00 0.00 0.00 47.33 46.82 1ocz h GLY 18 CO 0.08 0.21 0.01 -2.00 0.00 0.00 0.00 176.54 174.84 1ocz h LEU 19 N 0.89 0.99 0.70 3.11 6.46 -0.67 -2.36 115.31 124.42 1ocz h LEU 19 Ca 0.38 -0.27 -0.03 0.00 -0.12 0.00 0.00 57.88 57.84 1ocz h LEU 19 Cb 0.25 -0.26 0.01 0.00 -0.73 0.00 0.00 40.66 39.92 1ocz h LEU 19 CO -0.20 1.04 -0.34 0.28 -0.62 0.00 0.00 178.44 178.60 1ocz h SER 20 N 0.93 -0.79 -0.72 1.25 0.02 0.46 -2.23 113.55 112.47 1ocz h SER 20 Ca 0.17 0.01 0.15 0.00 -0.84 0.00 0.00 61.79 61.27 1ocz h SER 20 Cb 0.53 0.21 -0.10 0.00 0.14 0.00 0.00 62.40 63.17 1ocz h SER 20 CO 0.03 -0.52 0.21 0.58 -1.14 0.00 0.00 176.83 175.99 1ocz h VAL 21 N -1.01 0.58 0.36 2.27 2.07 -0.57 -0.56 116.25 119.39 1ocz h VAL 21 Ca -0.10 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 1ocz h VAL 21 Cb 0.74 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1ocz h VAL 21 CO 0.16 0.06 -0.29 0.74 0.02 0.00 0.00 177.57 178.26 1ocz h THR 22 N 0.32 0.40 -0.79 2.57 2.02 -1.32 -1.16 112.91 114.97 1ocz h THR 22 Ca 0.40 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.61 1ocz h THR 22 Cb 0.64 0.40 -0.05 0.00 -1.74 0.00 0.00 68.15 67.40 1ocz h THR 22 CO -0.46 0.00 0.50 -0.26 0.37 0.00 0.00 175.52 175.67 1ocz h PHE 23 N -0.65 0.93 -0.13 3.16 -1.00 -0.99 -2.61 116.94 115.65 1ocz h PHE 23 Ca -0.03 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.77 1ocz h PHE 23 Cb 0.57 -0.31 -0.01 0.00 3.61 0.00 0.00 35.95 39.82 1ocz h PHE 23 CO -0.15 0.53 0.07 -0.07 -1.61 0.00 0.00 178.31 177.08 1ocz h LEU 24 N 0.96 0.17 -2.80 1.54 -0.00 -0.91 0.50 115.31 114.77 1ocz h LEU 24 Ca 0.32 -0.09 0.00 0.00 -0.00 0.00 0.00 57.88 58.11 1ocz h LEU 24 Cb 0.03 -0.04 -0.00 0.00 -0.00 0.00 0.00 40.66 40.65 1ocz h LEU 24 CO -0.12 0.21 0.05 0.77 -0.00 0.00 0.00 178.44 179.35 1ocz h SER 25 N 0.11 0.00 0.14 -0.43 4.64 -0.86 0.26 113.55 117.42 1ocz h SER 25 Ca 0.05 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 61.00 1ocz h SER 25 Cb 0.08 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.14 1ocz h SER 25 CO -0.01 0.00 -2.04 0.49 -0.87 0.00 0.00 176.83 174.40 1ocz n PHE 26 N -3.16 1.08 0.03 4.77 3.01 -0.94 -4.60 117.46 117.65 1ocz n PHE 26 Ca -0.03 0.24 -0.11 0.00 1.01 0.00 0.00 57.45 58.56 1ocz n PHE 26 Cb 0.12 -1.14 -0.13 0.00 -0.01 0.00 0.00 39.48 38.31 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 0.06 0.13 0.29 4.37 3.38 0.58 -3.37 115.31 120.73 1ocz h LEU 27 Ca -0.43 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.34 1ocz h LEU 27 Cb 2.02 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.73 1ocz h LEU 27 CO 0.07 1.15 -0.14 -0.07 0.09 0.00 0.00 178.44 179.54 1ocz h LEU 28 N 0.02 -0.33 -0.74 1.67 3.38 -0.79 -1.00 115.31 117.53 1ocz h LEU 28 Ca -0.18 0.01 0.15 0.00 0.09 0.00 0.00 57.88 57.95 1ocz h LEU 28 Cb 1.93 0.08 -0.14 0.00 0.09 0.00 0.00 40.66 42.62 1ocz h LEU 28 CO 0.12 -0.18 -0.21 -0.65 0.09 0.00 0.00 178.44 177.62 1ocz h PRO 29 N -0.49 -0.02 -0.56 1.13 0.11 -1.80 0.58 132.00 130.95 1ocz h PRO 29 Ca -0.04 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.04 1ocz h PRO 29 Cb 0.30 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.38 1ocz h PRO 29 CO 0.06 -0.01 0.24 0.00 -0.21 0.00 0.00 178.00 178.09 1ocz h ALA 30 N 1.66 0.73 -0.35 -0.75 0.00 -1.73 -1.74 119.26 117.08 1ocz h ALA 30 Ca 0.35 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.16 1ocz h ALA 30 Cb 0.55 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1ocz h ALA 30 CO -0.77 0.32 0.07 0.78 0.00 0.00 0.00 179.25 179.65 1ocz h GLY 31 N 0.76 0.41 0.78 0.00 0.00 0.14 0.18 103.07 105.35 1ocz h GLY 31 Ca 0.19 -0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.49 1ocz h GLY 31 CO -0.02 -0.02 -0.29 -0.25 0.00 0.00 0.00 176.54 175.96 1ocz h TRP 32 N 0.19 -0.77 -0.64 5.60 7.01 -0.43 0.48 115.95 127.39 1ocz h TRP 32 Ca 0.17 -0.00 0.10 0.00 2.11 0.00 0.00 58.89 61.27 1ocz h TRP 32 Cb 0.19 0.29 -0.08 0.00 -2.10 0.00 0.00 29.16 27.46 1ocz h TRP 32 CO -0.19 -0.43 0.24 0.28 -2.79 0.00 0.00 178.44 175.55 1ocz h VAL 33 N -0.67 0.75 -0.04 2.65 2.07 -0.93 -1.69 116.25 118.40 1ocz h VAL 33 Ca -0.03 -0.14 -0.15 0.00 0.82 0.00 0.00 66.70 67.20 1ocz h VAL 33 Cb 0.58 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1ocz h VAL 33 CO -0.00 0.08 -0.65 -0.07 0.02 0.00 0.00 177.57 176.95 1ocz h LEU 34 N 0.42 0.17 -1.43 2.57 3.38 -0.27 -3.10 115.31 117.05 1ocz h LEU 34 Ca 0.32 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 1ocz h LEU 34 Cb 0.42 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1ocz h LEU 34 CO -0.32 0.77 0.11 0.22 0.09 0.00 0.00 178.44 179.31 1ocz h TYR 35 N 0.11 0.49 -0.57 1.13 3.20 0.89 -2.95 116.97 119.27 1ocz h TYR 35 Ca -0.01 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.84 1ocz h TYR 35 Cb 1.16 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.27 1ocz h TYR 35 CO 0.01 0.41 0.00 0.72 -1.64 0.00 0.00 178.16 177.67 1ocz n HIS 36 N -4.37 1.90 -0.06 -3.82 8.25 -0.98 -4.67 115.22 111.47 1ocz n HIS 36 Ca 0.02 -0.72 -0.07 0.00 -0.26 0.00 0.00 57.72 56.69 1ocz n HIS 36 Cb 0.16 -0.45 -0.01 0.00 1.12 0.00 0.00 29.99 30.80 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 3.86 -0.36 -0.09 2.41 3.38 -1.53 -2.43 115.31 120.55 1ocz h LEU 37 Ca 0.00 0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.10 1ocz h LEU 37 Cb 1.85 0.21 -0.05 0.00 0.09 0.00 0.00 40.66 42.76 1ocz h LEU 37 CO 0.43 -0.14 -0.22 -0.78 0.09 0.00 0.00 178.44 177.82 1ocz h ASP 38 N -0.07 -0.67 -0.50 -0.43 3.58 -1.86 -0.02 116.42 116.45 1ocz h ASP 38 Ca 0.13 0.10 0.15 0.00 0.42 0.00 0.00 57.03 57.83 1ocz h ASP 38 Cb 0.27 0.29 -0.02 0.00 1.72 0.00 0.00 39.33 41.59 1ocz h ASP 38 CO -0.30 -0.27 0.54 0.78 -2.88 0.00 0.00 179.24 177.11 1ocz h ASN 39 N -0.30 0.00 0.14 2.28 4.21 -1.79 0.11 115.58 120.23 1ocz h ASN 39 Ca 0.09 0.00 -0.27 0.00 1.21 0.00 0.00 56.30 57.33 1ocz h ASN 39 Cb 0.43 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.63 1ocz h ASN 39 CO -0.26 0.00 -1.33 1.88 -1.29 0.00 0.00 177.43 176.43 1ocz h TYR 40 N 0.00 0.54 0.00 1.19 0.05 -0.60 -3.07 116.97 115.08 1ocz h TYR 40 Ca 0.24 -0.39 -0.05 0.00 0.05 0.00 0.00 58.73 58.58 1ocz h TYR 40 Cb 1.32 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 39.03 1ocz h TYR 40 CO 0.00 1.52 -0.23 0.87 -1.05 0.00 0.00 178.16 179.27 1ocz h LYS 41 N -0.24 0.00 -0.00 4.88 1.57 0.33 0.95 116.57 124.06 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 1.81 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.12 1ocz h LYS 41 CO 0.11 0.23 -0.16 1.63 -0.57 0.00 0.00 179.45 180.69 1ocz n LYS 42 N -3.69 0.64 -0.82 3.15 4.01 0.15 -5.10 118.16 116.50 1ocz n LYS 42 Ca -0.01 -0.26 0.00 0.00 -0.51 0.00 0.00 58.31 57.52 1ocz n LYS 42 Cb 0.35 -1.49 0.00 0.00 -0.51 0.00 0.00 35.03 33.37 1ocz n LYS 42 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72