#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fxd s LEU 5 N 0.00 4.41 0.42 1.69 1.02 -1.26 -5.08 118.68 119.88 3fxd s LEU 5 Ca 0.00 1.45 0.03 0.00 0.02 0.00 0.00 54.13 55.64 3fxd s LEU 5 Cb 0.00 -3.48 0.00 0.00 0.02 0.00 0.00 46.19 42.73 3fxd s LEU 5 CO 0.00 0.08 0.60 -0.94 0.02 0.00 0.00 176.35 176.12 3fxd s SER 6 N -1.51 5.80 0.48 2.29 1.04 -1.26 -4.94 113.70 115.59 3fxd s SER 6 Ca 0.41 0.02 0.17 0.00 0.48 0.00 0.00 55.95 57.03 3fxd s SER 6 Cb -0.18 -1.27 1.18 0.00 0.10 0.00 0.00 66.02 65.84 3fxd s SER 6 CO 0.22 -0.67 2.06 0.44 0.98 0.00 0.00 173.24 176.27 3fxd h ASP 7 N 0.55 0.00 -0.09 7.02 5.19 -1.99 -1.26 116.42 125.85 3fxd h ASP 7 Ca -0.45 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 55.80 3fxd h ASP 7 Cb 1.26 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.77 3fxd h ASP 7 CO 0.54 0.12 -0.49 -0.08 -3.12 0.00 0.00 179.24 176.21 3fxd h GLU 8 N 0.00 0.65 -0.00 3.56 4.81 -1.97 -1.87 114.58 119.75 3fxd h GLU 8 Ca -0.00 -0.38 -0.11 0.00 -0.13 0.00 0.00 59.36 58.74 3fxd h GLU 8 Cb 0.22 0.03 0.01 0.00 0.63 0.00 0.00 28.75 29.64 3fxd h GLU 8 CO 0.02 0.99 -0.45 1.96 -0.73 0.00 0.00 179.01 180.80 3fxd h GLN 9 N 0.51 0.31 -0.54 1.92 4.20 -1.79 -2.73 115.11 116.99 3fxd h GLN 9 Ca 0.02 -0.33 0.02 0.00 0.06 0.00 0.00 58.65 58.43 3fxd h GLN 9 Cb 1.03 0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.87 3fxd h GLN 9 CO 0.10 1.02 0.32 0.87 -0.67 0.00 0.00 178.83 180.47 3fxd h LYS 10 N -0.27 0.62 0.00 1.46 1.57 -1.30 -1.16 116.57 117.50 3fxd h LYS 10 Ca -0.05 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3fxd h LYS 10 Cb 1.18 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.34 3fxd h LYS 10 CO 0.09 0.41 0.00 1.49 -0.57 0.00 0.00 179.45 180.87 3fxd h GLU 11 N 0.64 0.00 0.00 3.15 4.81 -1.40 -2.01 114.58 119.78 3fxd h GLU 11 Ca 0.22 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 59.16 3fxd h GLU 11 Cb 0.02 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.35 3fxd h GLU 11 CO -0.09 0.00 -2.08 -2.37 -0.73 0.00 0.00 179.01 173.74 3fxd n THR 12 N -2.62 1.25 0.09 0.32 5.66 -0.80 -3.97 114.28 114.19 3fxd n THR 12 Ca 0.01 -0.78 -0.13 0.00 -3.05 0.00 0.00 64.05 60.10 3fxd n THR 12 Cb 0.24 -0.56 -0.09 0.00 -1.55 0.00 0.00 70.33 68.36 3fxd n THR 12 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 175.07 172.42 3fxd h ILE 13 N 0.00 1.52 -0.39 1.09 2.04 -1.09 -2.93 117.51 117.75 3fxd h ILE 13 Ca -0.38 -2.92 -0.05 0.00 1.00 0.00 0.00 64.86 62.50 3fxd h ILE 13 Cb 1.97 2.74 -0.01 0.00 -0.74 0.00 0.00 36.82 40.78 3fxd h ILE 13 CO 0.04 0.85 0.03 0.25 0.00 0.00 0.00 178.15 179.32 3fxd h LEU 14 N 0.09 0.65 -0.58 1.44 5.85 -1.55 -2.40 115.31 118.81 3fxd h LEU 14 Ca -0.09 -0.29 -0.08 0.00 0.84 0.00 0.00 57.88 58.26 3fxd h LEU 14 Cb 1.77 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.61 3fxd h LEU 14 CO 0.17 0.77 0.04 0.50 -0.34 0.00 0.00 178.44 179.59 3fxd h LYS 15 N 0.51 1.00 -0.49 1.25 3.64 -1.69 -0.72 116.57 120.07 3fxd h LYS 15 Ca 0.11 -0.30 0.05 0.00 -1.27 0.00 0.00 60.65 59.25 3fxd h LYS 15 Cb 0.42 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.09 3fxd h LYS 15 CO 0.01 0.97 0.22 0.00 -2.27 0.00 0.00 179.45 178.39 3fxd h ALA 16 N 0.99 0.62 -0.11 5.00 0.00 -1.41 0.54 119.26 124.89 3fxd h ALA 16 Ca 0.17 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3fxd h ALA 16 Cb 0.49 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 3fxd h ALA 16 CO 0.02 -0.14 0.03 -0.07 0.00 0.00 0.00 179.25 179.09 3fxd h LEU 17 N 0.44 0.16 -0.97 0.00 3.38 -1.17 -1.76 115.31 115.39 3fxd h LEU 17 Ca 0.22 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 3fxd h LEU 17 Cb 0.17 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3fxd h LEU 17 CO -0.19 0.32 0.08 0.78 0.09 0.00 0.00 178.44 179.53 3fxd h ASN 18 N -0.01 0.78 -0.53 -0.43 2.35 -0.75 -0.85 115.58 116.14 3fxd h ASN 18 Ca 0.03 -0.16 -0.04 0.00 -0.55 0.00 0.00 56.30 55.58 3fxd h ASN 18 Cb 0.22 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 3fxd h ASN 18 CO -0.00 0.80 0.17 -0.78 -1.65 0.00 0.00 177.43 175.97 3fxd h ASP 19 N 0.79 0.78 -0.54 5.81 3.58 0.17 -0.51 116.42 126.50 3fxd h ASP 19 Ca 0.17 -0.21 -0.10 0.00 0.42 0.00 0.00 57.03 57.31 3fxd h ASP 19 Cb 0.36 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.19 3fxd h ASP 19 CO 0.01 0.78 -0.03 0.00 -2.88 0.00 0.00 179.24 177.11 3fxd h ALA 20 N 1.03 0.88 -0.58 -0.78 0.00 -1.00 0.14 119.26 118.94 3fxd h ALA 20 Ca 0.17 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 3fxd h ALA 20 Cb 0.28 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3fxd h ALA 20 CO -0.01 0.65 0.00 0.82 0.00 0.00 0.00 179.25 180.72 3fxd h ILE 21 N 0.91 1.26 -0.07 0.00 2.04 -0.97 -1.00 117.51 119.68 3fxd h ILE 21 Ca 0.16 -1.12 -0.07 0.00 1.00 0.00 0.00 64.86 64.82 3fxd h ILE 21 Cb 0.57 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 3fxd h ILE 21 CO 0.03 0.41 -0.23 -0.08 0.00 0.00 0.00 178.15 178.28 3fxd h GLU 22 N 0.93 0.29 0.00 2.37 4.81 -0.84 -3.36 114.58 118.78 3fxd h GLU 22 Ca 0.17 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3fxd h GLU 22 Cb 0.53 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.95 3fxd h GLU 22 CO 0.03 0.83 -0.83 1.57 -0.73 0.00 0.00 179.01 179.88 3fxd h LYS 23 N -0.20 0.00 -7.27 1.92 2.10 -1.02 -3.48 116.57 108.62 3fxd h LYS 23 Ca -0.01 0.00 -0.49 0.00 -2.00 0.00 0.00 60.65 58.15 3fxd h LYS 23 Cb 0.86 0.00 0.18 0.00 -0.90 0.00 0.00 32.23 32.36 3fxd h LYS 23 CO 0.05 0.00 0.19 0.20 -2.00 0.00 0.00 179.45 177.89 3fxd s GLY 24 N -3.92 1.63 -0.28 0.07 0.00 -0.38 -4.90 107.32 99.54 3fxd s GLY 24 Ca 0.03 0.18 -0.02 0.00 0.00 0.00 0.00 44.72 44.91 3fxd s GLY 24 CO 0.76 0.68 2.33 -1.55 0.00 0.00 0.00 173.10 175.32 3fxd n PRO 25 N -4.20 1.86 0.00 2.90 -0.04 -1.26 -4.67 135.00 129.59 3fxd n PRO 25 Ca 0.08 -1.51 0.06 0.00 -0.04 0.00 0.00 63.50 62.09 3fxd n PRO 25 Cb 0.54 -1.70 0.30 0.00 -0.04 0.00 0.00 33.50 32.60 3fxd n PRO 25 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 3fxd n TRP 26 N 0.80 0.00 0.62 0.54 5.03 -1.26 -2.01 117.44 121.16 3fxd n TRP 26 Ca 0.32 0.00 0.07 0.00 3.03 0.00 0.00 57.50 60.92 3fxd n TRP 26 Cb 0.59 -0.36 0.01 0.00 -1.03 0.00 0.00 31.31 30.52 3fxd n TRP 26 CO 0.00 0.00 0.00 -0.25 -0.03 0.00 0.00 177.69 177.41 3fxd n ASP 27 N -1.36 1.60 0.26 -0.99 8.00 -1.26 -2.83 116.55 119.97 3fxd n ASP 27 Ca 0.05 -1.30 0.17 0.00 0.71 0.00 0.00 54.79 54.42 3fxd n ASP 27 Cb 0.12 0.40 0.76 0.00 -0.02 0.00 0.00 41.12 42.37 3fxd n ASP 27 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 3fxd h LYS 28 N 1.76 0.00 -2.15 -1.24 1.79 -1.79 -3.46 116.57 111.48 3fxd h LYS 28 Ca 0.00 0.00 0.17 0.00 -2.18 0.00 0.00 60.65 58.64 3fxd h LYS 28 Cb 0.50 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 31.02 3fxd h LYS 28 CO 0.00 0.00 0.55 -1.54 -1.08 0.00 0.00 179.45 177.38 3fxd s SER 29 N -5.28 -0.24 0.19 0.86 1.04 -1.26 -5.01 113.70 104.01 3fxd s SER 29 Ca 0.00 -0.16 -0.12 0.00 0.48 0.00 0.00 55.95 56.15 3fxd s SER 29 Cb 0.10 0.38 0.12 0.00 0.10 0.00 0.00 66.02 66.71 3fxd s SER 29 CO 0.48 -0.66 1.84 0.78 0.98 0.00 0.00 173.24 176.65 3fxd h ASN 30 N 2.00 0.80 0.39 7.02 -0.26 -1.92 -1.38 115.58 122.22 3fxd h ASN 30 Ca -0.22 -0.06 -0.01 0.00 -0.56 0.00 0.00 56.30 55.44 3fxd h ASN 30 Cb 1.23 -0.20 -0.00 0.00 -1.06 0.00 0.00 38.32 38.28 3fxd h ASN 30 CO 0.28 0.62 -0.23 0.15 -1.06 0.00 0.00 177.43 177.19 3fxd h PHE 31 N 0.91 -0.60 0.00 1.19 3.57 -1.96 -2.64 116.94 117.41 3fxd h PHE 31 Ca 0.24 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.73 3fxd h PHE 31 Cb -0.04 0.21 -0.00 0.00 2.79 0.00 0.00 35.95 38.91 3fxd h PHE 31 CO -0.02 -0.36 -0.01 -0.07 -2.23 0.00 0.00 178.31 175.62 3fxd h LEU 32 N -0.58 0.00 -0.48 0.59 4.07 -1.82 -1.53 115.31 115.55 3fxd h LEU 32 Ca -0.04 0.00 -0.13 0.00 0.08 0.00 0.00 57.88 57.79 3fxd h LEU 32 Cb 0.47 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.20 3fxd h LEU 32 CO 0.05 0.01 -0.20 -0.09 -1.08 0.00 0.00 178.44 177.14 3fxd h ARG 33 N 0.00 0.98 -0.66 1.13 2.43 -0.89 -1.05 114.38 116.32 3fxd h ARG 33 Ca -0.00 -0.41 -0.01 0.00 -0.81 0.00 0.00 59.98 58.75 3fxd h ARG 33 Cb 0.04 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 3fxd h ARG 33 CO 0.00 1.09 0.37 0.28 -1.51 0.00 0.00 179.97 180.20 3fxd h VAL 34 N 0.83 1.20 -0.53 0.20 2.07 -1.08 -0.08 116.25 118.86 3fxd h VAL 34 Ca 0.11 -0.48 -0.04 0.00 0.82 0.00 0.00 66.70 67.11 3fxd h VAL 34 Cb 0.77 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 3fxd h VAL 34 CO 0.06 0.21 0.19 0.40 0.02 0.00 0.00 177.57 178.46 3fxd h ILE 35 N 0.89 1.23 -0.38 4.57 1.08 -1.30 -2.10 117.51 121.50 3fxd h ILE 35 Ca 0.23 -0.73 -0.05 0.00 -0.39 0.00 0.00 64.86 63.92 3fxd h ILE 35 Cb 0.01 0.70 -0.02 0.00 -3.07 0.00 0.00 36.82 34.45 3fxd h ILE 35 CO -0.04 0.28 0.03 1.23 -0.69 0.00 0.00 178.15 178.95 3fxd h GLY 36 N 0.73 0.63 1.02 5.37 0.00 -0.77 -2.08 103.07 107.96 3fxd h GLY 36 Ca 0.18 -0.36 -0.06 0.00 0.00 0.00 0.00 47.33 47.08 3fxd h GLY 36 CO -0.01 0.34 0.13 0.50 0.00 0.00 0.00 176.54 177.51 3fxd h LYS 37 N 0.56 0.96 -0.85 4.80 1.79 -0.62 -1.57 116.57 121.63 3fxd h LYS 37 Ca 0.12 -0.24 -0.01 0.00 -2.18 0.00 0.00 60.65 58.35 3fxd h LYS 37 Cb 0.31 -0.12 -0.04 0.00 -1.58 0.00 0.00 32.23 30.80 3fxd h LYS 37 CO 0.01 0.88 0.49 -0.22 -1.08 0.00 0.00 179.45 179.53 3fxd h LYS 38 N 0.86 1.17 -0.75 3.15 1.63 -0.94 0.41 116.57 122.10 3fxd h LYS 38 Ca 0.18 -0.12 -0.03 0.00 -0.85 0.00 0.00 60.65 59.84 3fxd h LYS 38 Cb 0.36 -0.24 -0.04 0.00 -0.60 0.00 0.00 32.23 31.72 3fxd h LYS 38 CO 0.00 0.84 0.36 1.25 -3.45 0.00 0.00 179.45 178.46 3fxd h LEU 39 N 1.18 0.97 -0.51 5.20 5.85 -1.00 0.13 115.31 127.13 3fxd h LEU 39 Ca 0.30 -0.11 -0.13 0.00 0.84 0.00 0.00 57.88 58.79 3fxd h LEU 39 Cb -0.01 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.76 3fxd h LEU 39 CO -0.05 0.82 -0.17 0.40 -0.34 0.00 0.00 178.44 179.09 3fxd h ILE 40 N 1.07 1.27 -0.24 4.05 2.04 -0.25 0.74 117.51 126.18 3fxd h ILE 40 Ca 0.26 -1.34 -0.08 0.00 1.00 0.00 0.00 64.86 64.70 3fxd h ILE 40 Cb 0.10 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 3fxd h ILE 40 CO -0.03 0.47 -0.21 0.00 0.00 0.00 0.00 178.15 178.37 3fxd h ALA 41 N 0.89 1.19 -0.34 1.87 0.00 -0.39 0.26 119.26 122.74 3fxd h ALA 41 Ca 0.12 -0.31 -0.15 0.00 0.00 0.00 0.00 54.91 54.57 3fxd h ALA 41 Cb 0.75 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 3fxd h ALA 41 CO 0.06 0.52 -0.37 0.82 0.00 0.00 0.00 179.25 180.28 3fxd h ILE 42 N 0.40 1.28 -0.48 0.00 2.04 -0.36 -0.70 117.51 119.69 3fxd h ILE 42 Ca 0.07 -1.55 -0.07 0.00 1.00 0.00 0.00 64.86 64.31 3fxd h ILE 42 Cb 0.59 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 38.15 3fxd h ILE 42 CO 0.04 0.51 0.02 -0.09 0.00 0.00 0.00 178.15 178.63 3fxd h ARG 43 N 0.64 0.83 -0.24 2.37 1.12 -0.47 -2.33 114.38 116.30 3fxd h ARG 43 Ca 0.05 -0.25 -0.10 0.00 -1.11 0.00 0.00 59.98 58.56 3fxd h ARG 43 Cb 0.96 -0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 30.83 3fxd h ARG 43 CO 0.09 0.87 -0.28 -0.44 -3.11 0.00 0.00 179.97 177.10 3fxd h ASP 44 N 0.69 0.48 -0.59 -3.80 3.45 -0.43 -2.14 116.42 114.08 3fxd h ASP 44 Ca 0.14 -0.17 -0.08 0.00 0.43 0.00 0.00 57.03 57.35 3fxd h ASP 44 Cb 0.48 -0.13 -0.02 0.00 -0.56 0.00 0.00 39.33 39.10 3fxd h ASP 44 CO 0.02 0.75 0.05 -0.09 -1.57 0.00 0.00 179.24 178.40 3fxd h ARG 45 N 0.41 1.01 -0.49 3.56 1.12 -0.96 -2.06 114.38 116.98 3fxd h ARG 45 Ca 0.06 -0.30 -0.08 0.00 -1.11 0.00 0.00 59.98 58.55 3fxd h ARG 45 Cb 0.71 -0.10 -0.02 0.00 -0.01 0.00 0.00 29.97 30.55 3fxd h ARG 45 CO 0.05 0.98 0.00 0.35 -3.11 0.00 0.00 179.97 178.24 3fxd h PHE 46 N 0.91 0.94 -0.51 2.20 3.57 -1.24 -2.86 116.94 119.95 3fxd h PHE 46 Ca 0.17 -0.16 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 3fxd h PHE 46 Cb 0.49 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 3fxd h PHE 46 CO 0.04 0.88 0.29 -0.07 -2.23 0.00 0.00 178.31 177.22 3fxd h LEU 47 N 0.72 0.62 -1.08 0.59 3.38 -1.24 -1.79 115.31 116.51 3fxd h LEU 47 Ca 0.14 -0.08 0.11 0.00 0.09 0.00 0.00 57.88 58.14 3fxd h LEU 47 Cb 0.51 -0.16 -0.08 0.00 0.09 0.00 0.00 40.66 41.02 3fxd h LEU 47 CO 0.02 0.52 0.62 0.50 0.09 0.00 0.00 178.44 180.19 3fxd h LYS 48 N 0.67 0.93 0.49 1.13 3.64 -1.25 0.30 116.57 122.50 3fxd h LYS 48 Ca 0.18 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.48 3fxd h LYS 48 Cb 0.03 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.64 3fxd h LYS 48 CO -0.03 0.62 -0.24 0.00 -2.27 0.00 0.00 179.45 177.53 3fxd h ARG 49 N 0.96 -0.64 0.00 1.90 3.08 -1.19 -2.39 114.38 116.10 3fxd h ARG 49 Ca 0.47 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.56 3fxd h ARG 49 Cb 0.46 0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.65 3fxd h ARG 49 CO -0.23 -0.37 0.00 0.44 -1.07 0.00 0.00 179.97 178.74 3fxd n ILE 50 N -5.23 1.14 0.12 2.04 -5.35 -0.73 -0.72 119.36 110.63 3fxd n ILE 50 Ca -0.09 0.55 0.11 0.00 -0.27 0.00 0.00 62.75 63.05 3fxd n ILE 50 Cb 0.29 -1.52 0.02 0.00 -1.74 0.00 0.00 39.64 36.69 3fxd n ILE 50 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 3fxd h GLY 51 N 0.68 0.00 1.00 3.28 0.00 -0.87 -3.51 103.07 103.66 3fxd h GLY 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3fxd h GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54