#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ocz n HIS 2 N 0.00 0.55 -3.25 1.43 8.25 -1.26 -4.88 115.22 116.07 1ocz n HIS 2 Ca 0.00 -1.24 -0.41 0.00 -0.26 0.00 0.00 57.72 55.80 1ocz n HIS 2 Cb 0.00 -0.61 -0.08 0.00 1.12 0.00 0.00 29.99 30.42 1ocz n HIS 2 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1ocz s TYR 3 N -0.65 3.18 1.00 4.41 2.02 -1.26 -5.05 117.35 121.00 1ocz s TYR 3 Ca 0.11 0.16 -0.11 0.00 -0.37 0.00 0.00 57.07 56.86 1ocz s TYR 3 Cb 0.09 -2.91 0.20 0.00 -0.40 0.00 0.00 41.96 38.93 1ocz s TYR 3 CO 0.00 -0.54 1.11 -1.21 -1.57 0.00 0.00 175.55 173.34 1ocz s GLU 4 N 2.37 0.32 0.14 -0.62 0.41 -1.26 -5.05 118.70 115.00 1ocz s GLU 4 Ca 0.18 1.35 -0.03 0.00 -0.41 0.00 0.00 54.97 56.06 1ocz s GLU 4 Cb -0.16 -1.66 -0.03 0.00 -1.78 0.00 0.00 34.13 30.50 1ocz s GLU 4 CO 0.13 -3.04 0.11 -1.21 -0.49 0.00 0.00 175.26 170.76 1ocz s GLU 5 N -4.57 0.98 0.00 1.61 2.02 -1.26 -4.80 118.70 112.68 1ocz s GLU 5 Ca 0.68 -1.36 0.00 0.00 0.02 0.00 0.00 54.97 54.31 1ocz s GLU 5 Cb -0.24 0.28 0.00 0.00 0.10 0.00 0.00 34.13 34.27 1ocz s GLU 5 CO 0.60 -0.30 0.00 0.41 0.02 0.00 0.00 175.26 175.99 1ocz n GLY 6 N -0.12 0.60 3.54 -1.39 0.00 -1.26 -4.76 105.19 101.80 1ocz n GLY 6 Ca -0.06 -1.96 -0.57 0.00 0.00 0.00 0.00 46.02 43.43 1ocz n GLY 6 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ocz n PRO 7 N 0.81 0.41 -1.01 1.61 -0.02 -1.26 -1.31 135.00 134.23 1ocz n PRO 7 Ca 0.00 0.15 -0.00 0.00 -2.02 0.00 0.00 63.50 61.62 1ocz n PRO 7 Cb 0.00 -1.70 -0.00 0.00 -0.02 0.00 0.00 33.50 31.78 1ocz n PRO 7 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ocz n GLY 8 N 1.93 0.35 0.00 -1.23 0.00 -1.26 -4.82 105.19 100.16 1ocz n GLY 8 Ca 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1ocz n GLY 8 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ocz n LYS 9 N -1.62 1.88 -0.91 1.61 5.02 -0.42 -4.61 118.16 119.11 1ocz n LYS 9 Ca -0.00 -0.27 -0.04 0.00 -2.02 0.00 0.00 58.31 55.97 1ocz n LYS 9 Cb 0.18 -0.75 0.27 0.00 -0.02 0.00 0.00 35.03 34.72 1ocz n LYS 9 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1ocz n ASN 10 N -0.35 4.21 -4.09 4.39 6.94 -1.25 -4.73 115.26 120.40 1ocz n ASN 10 Ca 0.00 -3.31 -0.17 0.00 -0.02 0.00 0.00 54.58 51.08 1ocz n ASN 10 Cb 0.02 -0.70 -0.13 0.00 -2.36 0.00 0.00 39.78 36.61 1ocz n ASN 10 CO 0.00 0.00 0.00 0.27 -1.03 0.00 0.00 177.26 176.50 1ocz s ILE 11 N -3.04 0.81 -2.00 1.53 -4.36 -1.26 -5.05 121.20 107.83 1ocz s ILE 11 Ca 0.51 -0.92 0.16 0.00 -0.26 0.00 0.00 60.65 60.14 1ocz s ILE 11 Cb 0.42 -0.78 0.45 0.00 1.25 0.00 0.00 42.46 43.81 1ocz s ILE 11 CO 0.10 -0.12 1.40 -0.81 0.24 0.00 0.00 174.94 175.75 1ocz n PRO 12 N 1.88 0.65 -4.33 0.37 -0.04 -1.26 -4.78 135.00 127.49 1ocz n PRO 12 Ca -0.19 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.03 1ocz n PRO 12 Cb 0.55 -1.38 -0.13 0.00 -0.04 0.00 0.00 33.50 32.50 1ocz n PRO 12 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1ocz s PHE 13 N -2.00 1.79 0.15 0.54 -0.71 -1.26 -5.12 117.98 111.36 1ocz s PHE 13 Ca 0.24 -0.41 -0.30 0.00 -1.04 0.00 0.00 56.93 55.41 1ocz s PHE 13 Cb 0.11 -0.99 -0.08 0.00 -1.21 0.00 0.00 43.02 40.85 1ocz s PHE 13 CO 0.18 0.19 1.27 0.45 -1.34 0.00 0.00 175.22 175.98 1ocz s SER 14 N -1.82 6.97 -0.12 1.98 0.15 -1.26 -4.94 113.70 114.66 1ocz s SER 14 Ca 0.06 2.26 0.16 0.00 0.70 0.00 0.00 55.95 59.13 1ocz s SER 14 Cb -0.10 -2.60 0.31 0.00 -1.71 0.00 0.00 66.02 61.92 1ocz s SER 14 CO 0.04 -0.50 1.20 0.55 1.20 0.00 0.00 173.24 175.73 1ocz n VAL 15 N 3.17 1.83 -0.08 4.45 3.14 -1.26 -4.70 118.33 124.87 1ocz n VAL 15 Ca 0.07 -1.95 -0.07 0.00 -2.96 0.00 0.00 64.34 59.44 1ocz n VAL 15 Cb 0.44 -0.11 0.11 0.00 -1.06 0.00 0.00 33.84 33.22 1ocz n VAL 15 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 1ocz h GLU 16 N 0.53 0.74 -4.95 1.45 4.39 -1.92 -3.42 114.58 111.39 1ocz h GLU 16 Ca 0.00 -0.28 -0.67 0.00 0.34 0.00 0.00 59.36 58.75 1ocz h GLU 16 Cb 1.03 -0.04 -0.35 0.00 -0.10 0.00 0.00 28.75 29.28 1ocz h GLU 16 CO 0.05 0.88 -0.81 1.21 -1.16 0.00 0.00 179.01 179.18 1ocz s ASN 17 N -6.75 3.91 0.52 1.42 3.84 -1.26 -5.00 114.94 111.62 1ocz s ASN 17 Ca -0.09 -1.00 0.26 0.00 0.21 0.00 0.00 52.86 52.25 1ocz s ASN 17 Cb 0.13 -1.55 1.38 0.00 -0.55 0.00 0.00 41.25 40.67 1ocz s ASN 17 CO 0.83 -0.10 1.94 0.07 -2.79 0.00 0.00 177.10 177.05 1ocz h LYS 18 N 7.89 0.06 0.08 0.43 2.10 -1.97 -1.19 116.57 123.96 1ocz h LYS 18 Ca -0.32 -0.00 -0.29 0.00 -2.00 0.00 0.00 60.65 58.03 1ocz h LYS 18 Cb 1.09 -0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 32.39 1ocz h LYS 18 CO 0.55 0.04 -1.49 -1.49 -2.00 0.00 0.00 179.45 175.06 1ocz h TRP 19 N 0.06 0.31 -0.07 0.07 4.06 -1.98 -2.26 115.95 116.13 1ocz h TRP 19 Ca 0.34 -0.22 -0.09 0.00 2.06 0.00 0.00 58.89 60.97 1ocz h TRP 19 Cb 1.26 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 29.39 1ocz h TRP 19 CO -0.00 1.27 -0.38 -0.09 -3.56 0.00 0.00 178.44 175.68 1ocz h ARG 20 N 0.05 0.15 -0.21 0.49 2.43 -1.66 -2.33 114.38 113.30 1ocz h ARG 20 Ca -0.22 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 58.83 1ocz h ARG 20 Cb 1.98 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 31.52 1ocz h ARG 20 CO 0.14 0.51 -0.09 1.25 -1.51 0.00 0.00 179.97 180.27 1ocz h LEU 21 N 0.13 0.44 -1.42 3.80 5.85 -1.39 -1.49 115.31 121.22 1ocz h LEU 21 Ca 0.01 -0.40 0.23 0.00 0.84 0.00 0.00 57.88 58.56 1ocz h LEU 21 Cb 0.73 -0.12 -0.08 0.00 0.37 0.00 0.00 40.66 41.56 1ocz h LEU 21 CO 0.06 0.75 0.63 0.25 -0.34 0.00 0.00 178.44 179.78 1ocz h LEU 22 N 0.14 0.45 0.12 2.25 6.46 -0.88 0.36 115.31 124.21 1ocz h LEU 22 Ca 0.05 0.06 -0.01 0.00 -0.12 0.00 0.00 57.88 57.86 1ocz h LEU 22 Cb 0.58 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.49 1ocz h LEU 22 CO 0.03 0.15 -0.06 0.00 -0.62 0.00 0.00 178.44 177.94 1ocz h ALA 23 N 1.61 -0.16 -0.56 1.25 0.00 -1.17 -2.39 119.26 117.84 1ocz h ALA 23 Ca 0.53 -0.25 0.07 0.00 0.00 0.00 0.00 54.91 55.26 1ocz h ALA 23 Cb 1.29 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 19.08 1ocz h ALA 23 CO -0.23 -0.24 0.24 0.52 0.00 0.00 0.00 179.25 179.53 1ocz h MET 24 N -0.85 0.44 -0.63 0.00 2.86 -0.08 -1.43 114.93 115.23 1ocz h MET 24 Ca -0.02 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 1ocz h MET 24 Cb 0.55 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.08 1ocz h MET 24 CO 0.03 0.29 0.32 0.52 1.06 0.00 0.00 176.91 179.13 1ocz h MET 25 N 0.45 0.89 -0.63 1.72 2.07 -0.44 -1.70 114.93 117.29 1ocz h MET 25 Ca 0.26 -0.12 -0.02 0.00 -2.07 0.00 0.00 59.70 57.75 1ocz h MET 25 Cb 0.25 -0.17 -0.03 0.00 -1.87 0.00 0.00 31.60 29.79 1ocz h MET 25 CO -0.23 0.70 0.31 1.15 1.07 0.00 0.00 176.91 179.90 1ocz h THR 26 N 0.86 1.22 -0.46 2.22 2.02 -1.07 -1.85 112.91 115.84 1ocz h THR 26 Ca 0.22 -0.60 -0.14 0.00 0.77 0.00 0.00 66.41 66.67 1ocz h THR 26 Cb 0.08 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 1ocz h THR 26 CO -0.03 0.25 -0.24 -0.07 0.37 0.00 0.00 175.52 175.80 1ocz h LEU 27 N 0.87 1.01 0.07 2.58 4.07 -1.09 0.11 115.31 122.94 1ocz h LEU 27 Ca 0.22 -0.41 -0.00 0.00 0.08 0.00 0.00 57.88 57.77 1ocz h LEU 27 Cb 0.11 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 41.57 1ocz h LEU 27 CO -0.03 1.20 -0.03 0.15 -1.08 0.00 0.00 178.44 178.65 1ocz h PHE 28 N 0.83 -0.08 0.00 1.13 3.57 -1.05 0.19 116.94 121.53 1ocz h PHE 28 Ca 0.10 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.55 1ocz h PHE 28 Cb 0.82 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.58 1ocz h PHE 28 CO 0.06 -0.05 -0.23 0.74 -2.23 0.00 0.00 178.31 176.60 1ocz h PHE 29 N -0.09 0.00 0.63 0.41 0.04 -1.47 -2.75 116.94 113.71 1ocz h PHE 29 Ca -0.01 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.73 1ocz h PHE 29 Cb 0.07 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.23 1ocz h PHE 29 CO 0.20 0.23 -0.31 0.78 -0.60 0.00 0.00 178.31 178.61 1ocz h GLY 30 N 0.99 -0.90 1.56 -1.45 0.00 -0.70 -2.15 103.07 100.43 1ocz h GLY 30 Ca -0.00 0.34 0.03 0.00 0.00 0.00 0.00 47.33 47.69 1ocz h GLY 30 CO 0.03 -0.33 0.24 1.48 0.00 0.00 0.00 176.54 177.96 1ocz h SER 31 N -0.86 0.32 0.33 0.19 4.64 -0.85 -1.86 113.55 115.46 1ocz h SER 31 Ca -0.09 -0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.21 1ocz h SER 31 Cb 0.66 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1ocz h SER 31 CO 0.14 0.22 -0.16 1.23 -0.87 0.00 0.00 176.83 177.39 1ocz h GLY 32 N 0.38 -0.46 1.58 -0.77 0.00 -1.18 -2.10 103.07 100.52 1ocz h GLY 32 Ca 0.14 0.17 -0.04 0.00 0.00 0.00 0.00 47.33 47.60 1ocz h GLY 32 CO -0.03 -0.17 0.04 -2.75 0.00 0.00 0.00 176.54 173.63 1ocz h PHE 33 N -0.55 0.54 0.04 5.60 3.57 -0.93 -3.18 116.94 122.02 1ocz h PHE 33 Ca -0.05 -0.04 -0.24 0.00 3.53 0.00 0.00 57.97 61.17 1ocz h PHE 33 Cb 0.41 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.99 1ocz h PHE 33 CO -0.03 0.50 -1.02 0.00 -2.23 0.00 0.00 178.31 175.53 1ocz h ALA 34 N 1.54 0.29 -0.81 2.41 0.00 -1.29 -3.37 119.26 118.02 1ocz h ALA 34 Ca 0.11 -0.75 0.14 0.00 0.00 0.00 0.00 54.91 54.41 1ocz h ALA 34 Cb 0.27 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 17.91 1ocz h ALA 34 CO 0.00 0.85 -0.33 0.00 0.00 0.00 0.00 179.25 179.77 1ocz h ALA 35 N 0.69 0.16 -0.94 0.00 0.00 -1.35 0.48 119.26 118.29 1ocz h ALA 35 Ca -0.10 0.24 0.09 0.00 0.00 0.00 0.00 54.91 55.15 1ocz h ALA 35 Cb 1.68 0.85 -0.07 0.00 0.00 0.00 0.00 17.79 20.25 1ocz h ALA 35 CO 0.18 -0.60 0.58 -1.35 0.00 0.00 0.00 179.25 178.06 1ocz h PRO 36 N -0.06 0.96 -0.09 0.00 0.11 -1.75 -0.72 132.00 130.44 1ocz h PRO 36 Ca 0.31 -0.06 0.02 0.00 0.11 0.00 0.00 66.00 66.38 1ocz h PRO 36 Cb 0.58 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 31.46 1ocz h PRO 36 CO -0.85 0.64 -0.01 0.74 -0.21 0.00 0.00 178.00 178.30 1ocz h PHE 37 N 0.99 -0.03 0.00 0.65 0.04 -1.13 -1.61 116.94 115.85 1ocz h PHE 37 Ca 0.44 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 61.20 1ocz h PHE 37 Cb 0.32 0.03 -0.00 0.00 2.20 0.00 0.00 35.95 38.50 1ocz h PHE 37 CO -0.02 -0.03 -0.07 0.74 -0.60 0.00 0.00 178.31 178.33 1ocz h PHE 38 N 0.01 0.00 -0.13 -0.55 -1.00 -0.87 -1.42 116.94 112.98 1ocz h PHE 38 Ca 0.04 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.73 1ocz h PHE 38 Cb 0.06 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.62 1ocz h PHE 38 CO -0.14 0.07 -0.28 0.82 -1.61 0.00 0.00 178.31 177.17 1ocz h ILE 39 N 0.00 1.37 -0.83 -0.55 2.04 -0.24 -1.29 117.51 118.02 1ocz h ILE 39 Ca -0.00 -1.55 -0.04 0.00 1.00 0.00 0.00 64.86 64.27 1ocz h ILE 39 Cb 0.41 2.04 -0.04 0.00 -0.74 0.00 0.00 36.82 38.49 1ocz h ILE 39 CO 0.01 0.46 0.38 0.58 0.00 0.00 0.00 178.15 179.58 1ocz h VAL 40 N 0.02 1.26 -0.27 1.67 2.07 -0.80 -1.05 116.25 119.15 1ocz h VAL 40 Ca 0.00 -0.75 0.01 0.00 0.82 0.00 0.00 66.70 66.77 1ocz h VAL 40 Cb 0.87 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 1ocz h VAL 40 CO 0.06 0.32 0.17 -0.09 0.02 0.00 0.00 177.57 178.05 1ocz h ARG 41 N 1.19 0.34 -0.38 1.57 2.43 -1.22 0.09 114.38 118.39 1ocz h ARG 41 Ca 0.28 -0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.50 1ocz h ARG 41 Cb 0.15 -0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.55 1ocz h ARG 41 CO -0.03 0.22 -0.02 1.25 -1.51 0.00 0.00 179.97 179.88 1ocz h HIS 42 N 0.35 -0.06 0.18 2.20 2.76 -0.52 0.31 115.15 120.37 1ocz h HIS 42 Ca 0.10 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.29 1ocz h HIS 42 Cb -0.02 0.08 0.00 0.00 1.55 0.00 0.00 27.41 29.02 1ocz h HIS 42 CO -0.07 -0.09 -0.08 1.96 -1.30 0.00 0.00 177.93 178.35 1ocz h GLN 43 N 0.08 -0.23 -0.69 5.26 1.08 -0.91 -2.76 115.11 116.94 1ocz h GLN 43 Ca 0.19 0.02 0.17 0.00 -1.45 0.00 0.00 58.65 57.58 1ocz h GLN 43 Cb 0.27 0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 27.71 1ocz h GLN 43 CO -0.33 -0.06 0.48 -0.07 -0.95 0.00 0.00 178.83 177.90 1ocz h LEU 44 N -0.35 0.16 -4.47 1.46 4.07 -0.24 -2.29 115.31 113.65 1ocz h LEU 44 Ca -0.02 0.01 -0.53 0.00 0.08 0.00 0.00 57.88 57.41 1ocz h LEU 44 Cb 0.27 -0.02 -0.19 0.00 1.08 0.00 0.00 40.66 41.80 1ocz h LEU 44 CO 0.04 0.08 0.53 0.18 -1.08 0.00 0.00 178.44 178.19 1ocz n LEU 45 N -4.40 6.71 -3.90 1.67 4.77 0.03 -4.91 117.00 116.96 1ocz n LEU 45 Ca 0.13 -4.12 -0.11 0.00 -0.03 0.00 0.00 56.01 51.88 1ocz n LEU 45 Cb 0.65 -1.17 -0.12 0.00 -2.33 0.00 0.00 43.42 40.44 1ocz n LEU 45 CO 0.35 1.67 -0.32 -0.54 -1.33 0.00 0.00 177.39 177.22 1ocz s LYS 46 N -2.23 0.18 0.00 3.23 1.02 -0.86 -4.99 119.74 116.09 1ocz s LYS 46 Ca 0.55 -0.21 0.00 0.00 0.02 0.00 0.00 55.97 56.33 1ocz s LYS 46 Cb 0.38 0.07 0.00 0.00 -0.52 0.00 0.00 37.83 37.76 1ocz s LYS 46 CO -0.22 -0.03 0.00 1.17 -0.92 0.00 0.00 175.35 175.35