#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ocz n PRO 7 N 0.00 0.00 -2.04 0.00 -0.02 -1.26 -4.94 135.00 126.74 1ocz n PRO 7 Ca 0.00 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.20 1ocz n PRO 7 Cb 0.00 -1.26 0.10 0.00 -0.02 0.00 0.00 33.50 32.32 1ocz n PRO 7 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 1ocz s ASP 8 N 2.21 4.37 0.22 2.55 1.47 -1.26 -4.84 116.67 121.38 1ocz s ASP 8 Ca 0.87 0.52 -0.19 0.00 1.18 0.00 0.00 52.55 54.93 1ocz s ASP 8 Cb -1.23 -0.99 0.21 0.00 -0.34 0.00 0.00 42.92 40.57 1ocz s ASP 8 CO 0.66 -1.94 1.56 0.15 0.68 0.00 0.00 175.17 176.28 1ocz h PHE 9 N -0.97 -1.12 -0.28 2.11 3.04 -2.00 0.30 116.94 118.03 1ocz h PHE 9 Ca -0.45 0.10 0.02 0.00 3.98 0.00 0.00 57.97 61.62 1ocz h PHE 9 Cb 1.31 0.62 -0.01 0.00 2.56 0.00 0.00 35.95 40.43 1ocz h PHE 9 CO 0.04 -0.40 0.18 0.45 -2.02 0.00 0.00 178.31 176.57 1ocz h HIS 10 N -0.03 0.29 0.13 0.41 -0.00 -1.94 0.18 115.15 114.19 1ocz h HIS 10 Ca 0.32 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.69 1ocz h HIS 10 Cb 0.58 -0.10 0.00 0.00 -0.00 0.00 0.00 27.41 27.90 1ocz h HIS 10 CO -0.85 0.17 -0.06 -0.44 -0.00 0.00 0.00 177.93 176.75 1ocz h ASP 11 N 0.30 -0.15 1.35 2.45 3.32 -0.76 -0.22 116.42 122.72 1ocz h ASP 11 Ca 0.11 -0.19 -0.13 0.00 0.02 0.00 0.00 57.03 56.84 1ocz h ASP 11 Cb 0.07 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 1ocz h ASP 11 CO -0.02 0.11 -0.65 0.07 -1.72 0.00 0.00 179.24 177.03 1ocz h LYS 12 N -0.41 0.00 0.00 3.56 2.10 -1.14 -3.38 116.57 117.30 1ocz h LYS 12 Ca -0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1ocz h LYS 12 Cb 0.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.66 1ocz h LYS 12 CO 0.03 0.63 -0.90 0.66 -2.00 0.00 0.00 179.45 177.86 1ocz n TYR 13 N -3.25 0.00 -0.23 0.07 4.01 0.58 -4.81 117.16 113.54 1ocz n TYR 13 Ca 0.01 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.67 1ocz n TYR 13 Cb 0.79 -0.09 -0.07 0.00 -0.31 0.00 0.00 39.34 39.67 1ocz n TYR 13 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1ocz h GLY 14 N 1.25 -1.42 0.81 2.72 0.00 -1.15 0.60 103.07 105.88 1ocz h GLY 14 Ca 0.00 0.88 0.13 0.00 0.00 0.00 0.00 47.33 48.33 1ocz h GLY 14 CO 0.00 -0.31 0.47 3.43 0.00 0.00 0.00 176.54 180.13 1ocz h ASN 15 N -0.08 0.41 0.08 0.19 2.35 -1.85 0.13 115.58 116.81 1ocz h ASN 15 Ca 0.09 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1ocz h ASN 15 Cb 0.31 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.62 1ocz h ASN 15 CO -0.56 0.23 -0.04 0.00 -1.65 0.00 0.00 177.43 175.41 1ocz h ALA 16 N 1.66 -0.10 -0.98 -0.83 0.00 -1.67 -1.73 119.26 115.61 1ocz h ALA 16 Ca 0.34 -0.17 0.32 0.00 0.00 0.00 0.00 54.91 55.41 1ocz h ALA 16 Cb 0.71 0.04 -0.16 0.00 0.00 0.00 0.00 17.79 18.38 1ocz h ALA 16 CO -0.11 -0.11 0.45 0.28 0.00 0.00 0.00 179.25 179.76 1ocz h VAL 17 N -0.99 0.21 0.00 0.00 2.07 -0.51 0.32 116.25 117.35 1ocz h VAL 17 Ca -0.01 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 1ocz h VAL 17 Cb 0.37 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1ocz h VAL 17 CO 0.02 0.04 -0.00 0.25 0.02 0.00 0.00 177.57 177.89 1ocz h LEU 18 N 0.20 -0.00 -0.71 2.57 5.85 -0.79 -2.45 115.31 119.97 1ocz h LEU 18 Ca 0.71 0.00 0.15 0.00 0.84 0.00 0.00 57.88 59.59 1ocz h LEU 18 Cb 1.66 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 42.58 1ocz h LEU 18 CO -0.68 -0.00 0.14 0.00 -0.34 0.00 0.00 178.44 177.56 1ocz h ALA 19 N -2.00 0.89 0.70 1.25 0.00 -0.29 0.38 119.26 120.20 1ocz h ALA 19 Ca -0.00 0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1ocz h ALA 19 Cb 0.00 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1ocz h ALA 19 CO 0.00 -0.35 -0.38 0.77 0.00 0.00 0.00 179.25 179.29 1ocz h SER 20 N 0.24 -0.92 -0.68 0.00 0.02 -0.53 -0.88 113.55 110.79 1ocz h SER 20 Ca 0.40 0.04 0.11 0.00 -0.84 0.00 0.00 61.79 61.50 1ocz h SER 20 Cb 0.67 0.25 -0.08 0.00 0.14 0.00 0.00 62.40 63.39 1ocz h SER 20 CO -0.51 -0.61 0.28 1.23 -1.14 0.00 0.00 176.83 176.08 1ocz h GLY 21 N -1.00 1.00 0.65 -3.77 0.00 -0.93 0.85 103.07 99.86 1ocz h GLY 21 Ca -0.10 -0.15 0.07 0.00 0.00 0.00 0.00 47.33 47.16 1ocz h GLY 21 CO 0.13 -0.03 0.49 0.00 0.00 0.00 0.00 176.54 177.13 1ocz h ALA 22 N 1.47 1.14 0.40 3.60 0.00 -0.15 -2.62 119.26 123.10 1ocz h ALA 22 Ca 0.35 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 1ocz h ALA 22 Cb 0.46 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1ocz h ALA 22 CO -0.33 0.18 -0.19 1.15 0.00 0.00 0.00 179.25 180.05 1ocz h THR 23 N 0.87 0.00 -1.66 0.00 2.02 0.58 -3.12 112.91 111.60 1ocz h THR 23 Ca 0.37 -0.38 0.49 0.00 0.77 0.00 0.00 66.41 67.66 1ocz h THR 23 Cb 0.24 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.57 1ocz h THR 23 CO -0.20 0.00 1.18 0.15 0.37 0.00 0.00 175.52 177.02 1ocz h PHE 24 N -0.93 0.08 0.00 3.16 3.57 -1.16 -1.74 116.94 119.93 1ocz h PHE 24 Ca -0.06 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.45 1ocz h PHE 24 Cb 0.42 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.14 1ocz h PHE 24 CO 0.03 -0.03 0.00 0.00 -2.23 0.00 0.00 178.31 176.08 1ocz h VAL 26 N 0.00 0.56 0.00 0.00 3.04 -1.31 -0.35 116.25 118.19 1ocz h VAL 26 Ca 0.00 -0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1ocz h VAL 26 Cb 0.00 0.56 0.00 0.00 -2.01 0.00 0.00 31.29 29.84 1ocz h VAL 26 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 176.56 1ocz n ALA 27 N -2.71 -0.25 -0.27 3.17 0.00 -0.72 -1.78 120.51 117.96 1ocz n ALA 27 Ca 0.18 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.69 1ocz n ALA 27 Cb 0.94 0.00 0.21 0.00 0.00 0.00 0.00 19.45 20.60 1ocz n ALA 27 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ocz h VAL 28 N 0.00 0.55 -0.38 0.00 2.07 -0.99 -1.05 116.25 116.44 1ocz h VAL 28 Ca 0.00 -0.12 -0.06 0.00 0.82 0.00 0.00 66.70 67.34 1ocz h VAL 28 Cb 0.00 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 29.92 1ocz h VAL 28 CO 0.00 0.07 0.00 -0.50 0.02 0.00 0.00 177.57 177.16 1ocz h TRP 29 N 0.36 0.73 -0.82 1.57 4.06 -1.19 -1.61 115.95 119.05 1ocz h TRP 29 Ca 0.45 -0.12 0.03 0.00 2.06 0.00 0.00 58.89 61.31 1ocz h TRP 29 Cb 0.76 -0.19 -0.05 0.00 -1.00 0.00 0.00 29.16 28.69 1ocz h TRP 29 CO -0.20 0.75 0.53 0.28 -3.56 0.00 0.00 178.44 176.24 1ocz h VAL 30 N 0.49 1.14 -0.46 1.49 2.07 -0.42 0.10 116.25 120.66 1ocz h VAL 30 Ca 0.11 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.23 1ocz h VAL 30 Cb 0.46 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 1ocz h VAL 30 CO 0.02 0.19 0.13 0.22 0.02 0.00 0.00 177.57 178.14 1ocz h TYR 31 N 1.03 0.75 0.02 1.57 5.03 -1.12 -1.54 116.97 122.71 1ocz h TYR 31 Ca 0.32 -0.08 -0.00 0.00 2.58 0.00 0.00 58.73 61.55 1ocz h TYR 31 Cb -0.00 -0.21 0.00 0.00 1.55 0.00 0.00 36.73 38.06 1ocz h TYR 31 CO -0.02 0.68 -0.01 1.98 -1.32 0.00 0.00 178.16 179.46 1ocz h MET 32 N 0.60 -0.03 0.00 1.82 4.05 -0.81 0.64 114.93 121.20 1ocz h MET 32 Ca 0.14 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.56 1ocz h MET 32 Cb 0.30 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.10 1ocz h MET 32 CO -0.00 0.09 -0.04 0.00 0.23 0.00 0.00 176.91 177.19 1ocz h ALA 33 N 0.83 1.14 0.00 0.39 0.00 -0.91 -3.37 119.26 117.35 1ocz h ALA 33 Ca -0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1ocz h ALA 33 Cb 0.14 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1ocz h ALA 33 CO 0.01 0.05 -1.03 0.25 0.00 0.00 0.00 179.25 178.52 1ocz n THR 34 N -3.34 0.16 1.12 0.00 -2.24 -0.59 -4.84 114.28 104.55 1ocz n THR 34 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1ocz n THR 34 Cb 0.17 -1.53 0.00 0.00 -2.10 0.00 0.00 70.33 66.87 1ocz n THR 34 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ocz n GLN 35 N -3.10 0.60 -4.19 -0.78 1.13 0.22 -4.85 117.38 106.42 1ocz n GLN 35 Ca -0.03 0.00 -0.21 0.00 -1.94 0.00 0.00 57.00 54.82 1ocz n GLN 35 Cb 0.49 -1.05 -0.07 0.00 0.11 0.00 0.00 30.24 29.73 1ocz n GLN 35 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 1ocz n ILE 36 N -0.39 0.00 0.03 5.09 -5.35 -1.25 -4.99 119.36 112.49 1ocz n ILE 36 Ca 0.00 -2.28 0.00 0.00 -0.27 0.00 0.00 62.75 60.20 1ocz n ILE 36 Cb 0.02 0.99 0.02 0.00 -1.74 0.00 0.00 39.64 38.93 1ocz n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ocz n GLY 37 N -0.63 -0.46 3.64 3.28 0.00 -1.26 -4.85 105.19 104.91 1ocz n GLY 37 Ca 0.01 -0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.47 1ocz n GLY 37 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1ocz n ILE 38 N -1.43 0.13 -3.61 -0.61 5.41 -1.26 -4.93 119.36 113.05 1ocz n ILE 38 Ca 0.00 -0.02 -0.40 0.00 1.00 0.00 0.00 62.75 63.33 1ocz n ILE 38 Cb 0.01 -0.89 -0.09 0.00 -0.71 0.00 0.00 39.64 37.96 1ocz n ILE 38 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 1ocz s GLU 39 N 1.88 2.39 0.07 0.38 -6.30 -1.26 -4.94 118.70 110.91 1ocz s GLU 39 Ca 0.92 -1.74 0.25 0.00 -2.50 0.00 0.00 54.97 51.90 1ocz s GLU 39 Cb -1.07 -3.83 0.99 0.00 0.00 0.00 0.00 34.13 30.22 1ocz s GLU 39 CO 0.58 -1.14 1.78 0.91 0.02 0.00 0.00 175.26 177.41 1ocz n TRP 40 N 4.84 0.26 -3.93 5.30 7.02 -1.26 -4.95 117.44 124.72 1ocz n TRP 40 Ca -0.07 0.08 -0.38 0.00 -1.02 0.00 0.00 57.50 56.12 1ocz n TRP 40 Cb 0.41 -0.64 0.02 0.00 -2.42 0.00 0.00 31.31 28.68 1ocz n TRP 40 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 1ocz n ASN 41 N -1.72 -3.81 -3.18 -0.99 5.15 -1.26 -4.96 115.26 104.49 1ocz n ASN 41 Ca 0.05 -1.16 -0.21 0.00 -0.60 0.00 0.00 54.58 52.67 1ocz n ASN 41 Cb 0.31 -2.45 0.19 0.00 -0.53 0.00 0.00 39.78 37.29 1ocz n ASN 41 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1ocz n PRO 42 N -4.63 -3.37 -2.64 1.20 -0.04 -1.26 -4.94 135.00 119.31 1ocz n PRO 42 Ca -0.14 -1.07 -0.42 0.00 -0.04 0.00 0.00 63.50 61.84 1ocz n PRO 42 Cb 0.60 -1.22 -0.03 0.00 -0.04 0.00 0.00 33.50 32.81 1ocz n PRO 42 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ocz s SER 43 N -3.05 7.33 0.38 3.54 0.15 -1.26 -4.95 113.70 115.85 1ocz s SER 43 Ca 0.46 1.79 0.14 0.00 0.70 0.00 0.00 55.95 59.05 1ocz s SER 43 Cb -0.07 -2.58 0.76 0.00 -1.71 0.00 0.00 66.02 62.42 1ocz s SER 43 CO 0.38 -0.26 1.83 1.55 1.20 0.00 0.00 173.24 177.94 1ocz h PRO 44 N 6.40 0.00 -6.38 5.44 0.13 -1.96 -3.41 132.00 132.22 1ocz h PRO 44 Ca -0.42 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.12 1ocz h PRO 44 Cb 1.22 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.38 1ocz h PRO 44 CO 0.75 0.36 0.98 1.55 -0.23 0.00 0.00 178.00 181.41 1ocz n VAL 45 N -3.99 0.34 -0.06 1.56 3.14 -1.26 0.33 118.33 118.38 1ocz n VAL 45 Ca -0.02 -0.06 0.00 0.00 -2.96 0.00 0.00 64.34 61.30 1ocz n VAL 45 Cb 0.41 -1.76 0.00 0.00 -1.06 0.00 0.00 33.84 31.43 1ocz n VAL 45 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1ocz n GLY 46 N 3.99 2.46 0.75 7.55 0.00 -1.26 -4.76 105.19 113.92 1ocz n GLY 46 Ca 0.20 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.17 1ocz n GLY 46 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ocz n ARG 47 N -2.00 0.17 -3.14 1.61 0.63 0.15 -5.03 116.66 109.05 1ocz n ARG 47 Ca 0.00 0.07 -0.39 0.00 -0.92 0.00 0.00 57.85 56.61 1ocz n ARG 47 Cb 0.00 -0.79 -0.05 0.00 0.45 0.00 0.00 32.46 32.07 1ocz n ARG 47 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1ocz s VAL 48 N -2.24 5.08 -0.41 5.15 1.01 0.97 -5.05 120.40 124.91 1ocz s VAL 48 Ca -0.10 1.24 -0.25 0.00 0.00 0.00 0.00 61.98 62.87 1ocz s VAL 48 Cb 0.02 -3.95 0.02 0.00 0.00 0.00 0.00 36.38 32.47 1ocz s VAL 48 CO 0.14 0.24 0.89 0.42 0.00 0.00 0.00 175.10 176.79 1ocz s THR 49 N 1.01 4.57 0.35 3.92 -4.23 -1.26 -4.84 115.64 115.16 1ocz s THR 49 Ca 0.32 0.91 -0.29 0.00 -1.18 0.00 0.00 61.69 61.45 1ocz s THR 49 Cb -0.16 -4.35 -0.11 0.00 1.34 0.00 0.00 72.50 69.21 1ocz s THR 49 CO 0.14 -0.65 1.51 -2.16 -0.54 0.00 0.00 174.62 172.92 1ocz s PRO 50 N 3.52 4.11 -0.05 3.99 0.04 -1.26 -5.01 135.00 140.34 1ocz s PRO 50 Ca 0.36 2.57 0.05 0.00 0.04 0.00 0.00 61.00 64.02 1ocz s PRO 50 Cb -0.11 -2.98 -0.02 0.00 0.04 0.00 0.00 34.50 31.42 1ocz s PRO 50 CO 0.22 -0.56 -0.20 0.15 0.04 0.00 0.00 177.00 176.65 1ocz s LYS 51 N -1.68 2.49 -0.13 4.56 1.02 -1.26 -5.07 119.74 119.67 1ocz s LYS 51 Ca 0.55 -0.81 -0.36 0.00 0.02 0.00 0.00 55.97 55.37 1ocz s LYS 51 Cb -0.47 -2.26 -0.13 0.00 -0.52 0.00 0.00 37.83 34.45 1ocz s LYS 51 CO 0.59 0.50 1.81 -1.91 -0.92 0.00 0.00 175.35 175.43 1ocz n GLU 52 N 2.63 1.82 0.15 1.68 4.07 -1.26 -4.85 120.64 124.87 1ocz n GLU 52 Ca -0.17 0.67 0.10 0.00 -0.06 0.00 0.00 57.16 57.69 1ocz n GLU 52 Cb 0.52 -2.45 0.07 0.00 -0.06 0.00 0.00 31.44 29.52 1ocz n GLU 52 CO 0.00 0.00 0.00 0.11 -0.06 0.00 0.00 177.13 177.18 1ocz h TRP 53 N 8.28 0.00 0.00 4.31 5.08 -2.05 -3.57 115.95 128.01 1ocz h TRP 53 Ca -0.48 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.49 1ocz h TRP 53 Cb 1.29 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.45 1ocz h TRP 53 CO 0.83 0.11 0.00 -2.13 -1.28 0.00 0.00 178.44 175.96