#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cax n ASP 23 N 0.00 6.35 -4.74 3.14 10.43 -1.26 -4.90 116.55 125.57 2cax n ASP 23 Ca 0.00 -3.04 -0.41 0.00 2.57 0.00 0.00 54.79 53.91 2cax n ASP 23 Cb 0.00 -1.13 -0.03 0.00 1.84 0.00 0.00 41.12 41.81 2cax n ASP 23 CO 0.00 0.00 0.00 -0.51 -1.07 0.00 0.00 177.20 175.62 2cax s ILE 24 N -1.99 3.11 -0.18 0.53 -1.16 -1.26 -5.04 121.20 115.21 2cax s ILE 24 Ca 0.38 0.92 -0.12 0.00 -0.51 0.00 0.00 60.65 61.32 2cax s ILE 24 Cb 0.27 -3.59 0.05 0.00 0.61 0.00 0.00 42.46 39.80 2cax s ILE 24 CO -0.06 0.14 0.45 -0.32 -2.81 0.00 0.00 174.94 172.34 2cax s MET 25 N -0.20 0.47 0.99 3.50 1.75 -1.26 -5.17 119.30 119.38 2cax s MET 25 Ca 0.57 0.74 -0.17 0.00 -1.25 0.00 0.00 55.69 55.58 2cax s MET 25 Cb -0.37 0.11 0.23 0.00 2.84 0.00 0.00 34.83 37.63 2cax s MET 25 CO 0.39 -0.12 1.35 0.20 -0.65 0.00 0.00 175.02 176.20 2cax s GLY 26 N 0.90 1.82 0.37 2.11 0.00 -1.26 -5.10 107.32 106.17 2cax s GLY 26 Ca -0.05 -1.33 0.06 0.00 0.00 0.00 0.00 44.72 43.40 2cax s GLY 26 CO -0.07 -0.50 0.02 0.99 0.00 0.00 0.00 173.10 173.53 2cax s ASP 27 N -4.96 3.32 -0.16 1.64 1.01 -1.26 -5.15 116.67 111.12 2cax s ASP 27 Ca 0.77 -1.35 -0.08 0.00 0.71 0.00 0.00 52.55 52.59 2cax s ASP 27 Cb -0.02 -0.28 0.06 0.00 1.01 0.00 0.00 42.92 43.68 2cax s ASP 27 CO 0.54 -0.48 0.37 -0.75 0.21 0.00 0.00 175.17 175.06 2cax s LYS 28 N -3.76 0.33 0.13 8.23 2.47 -1.26 -5.14 119.74 120.74 2cax s LYS 28 Ca 0.35 0.75 -0.30 0.00 -1.56 0.00 0.00 55.97 55.21 2cax s LYS 28 Cb 0.09 -0.02 -0.06 0.00 -1.46 0.00 0.00 37.83 36.38 2cax s LYS 28 CO 0.17 -0.17 1.03 0.99 0.16 0.00 0.00 175.35 177.52 2cax s THR 29 N 1.51 4.25 0.11 3.43 2.01 -1.26 -5.04 115.64 120.65 2cax s THR 29 Ca -0.08 1.86 0.01 0.00 0.31 0.00 0.00 61.69 63.79 2cax s THR 29 Cb -0.09 -4.19 -0.04 0.00 0.01 0.00 0.00 72.50 68.18 2cax s THR 29 CO -0.12 0.29 -0.04 0.68 -0.69 0.00 0.00 174.62 174.74 2cax s VAL 30 N 0.01 0.59 0.09 3.82 -7.23 -1.26 -5.16 120.40 111.26 2cax s VAL 30 Ca 0.49 -1.93 -0.06 0.00 -1.81 0.00 0.00 61.98 58.67 2cax s VAL 30 Cb -0.26 -1.78 -0.05 0.00 0.56 0.00 0.00 36.38 34.84 2cax s VAL 30 CO 0.32 -0.77 0.34 -0.13 -0.31 0.00 0.00 175.10 174.54 2cax s ARG 31 N -3.88 3.62 0.04 4.82 0.52 -1.26 -5.11 118.95 117.71 2cax s ARG 31 Ca 0.15 -0.07 0.02 0.00 -0.52 0.00 0.00 55.73 55.31 2cax s ARG 31 Cb 0.06 -2.94 -0.02 0.00 0.52 0.00 0.00 34.95 32.56 2cax s ARG 31 CO -0.03 0.54 -0.07 0.08 0.02 0.00 0.00 175.30 175.84 2cax s VAL 32 N -1.52 0.45 0.44 3.52 1.01 -1.26 -5.14 120.40 117.91 2cax s VAL 32 Ca 0.36 -1.11 -0.26 0.00 0.00 0.00 0.00 61.98 60.97 2cax s VAL 32 Cb -0.13 -0.62 -0.09 0.00 0.00 0.00 0.00 36.38 35.54 2cax s VAL 32 CO 0.22 -0.45 1.44 -1.14 0.00 0.00 0.00 175.10 175.17 2cax n ARG 33 N 1.37 2.32 -0.04 2.72 0.63 -1.26 -4.86 116.66 117.54 2cax n ARG 33 Ca -0.22 0.82 -0.12 0.00 -0.92 0.00 0.00 57.85 57.41 2cax n ARG 33 Cb 0.55 -2.64 -0.07 0.00 0.45 0.00 0.00 32.46 30.75 2cax n ARG 33 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2cax h ALA 34 N 2.39 0.16 -0.99 5.13 0.00 -2.00 -2.54 119.26 121.41 2cax h ALA 34 Ca -0.51 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.24 2cax h ALA 34 Cb 1.26 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.95 2cax h ALA 34 CO 0.61 -0.11 0.64 0.38 0.00 0.00 0.00 179.25 180.78 2cax h ASP 35 N -0.08 1.06 0.16 0.00 3.04 -1.99 -0.76 116.42 117.84 2cax h ASP 35 Ca 0.03 -0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.81 2cax h ASP 35 Cb 0.42 -0.23 0.00 0.00 -1.04 0.00 0.00 39.33 38.48 2cax h ASP 35 CO 0.01 0.71 -0.08 -0.07 -2.04 0.00 0.00 179.24 177.77 2cax h LEU 36 N 1.22 -0.18 -0.97 0.15 3.38 -1.92 -1.72 115.31 115.28 2cax h LEU 36 Ca 0.41 -0.20 0.22 0.00 0.09 0.00 0.00 57.88 58.39 2cax h LEU 36 Cb 0.06 0.05 -0.12 0.00 0.09 0.00 0.00 40.66 40.74 2cax h LEU 36 CO -0.14 0.11 0.54 -0.74 0.09 0.00 0.00 178.44 178.30 2cax h HIS 37 N -0.48 0.93 -0.52 1.13 2.76 -1.19 -0.50 115.15 117.29 2cax h HIS 37 Ca -0.02 0.04 -0.04 0.00 -2.20 0.00 0.00 60.37 58.15 2cax h HIS 37 Cb 0.37 -0.26 -0.02 0.00 1.55 0.00 0.00 27.41 29.05 2cax h HIS 37 CO 0.01 0.09 0.17 1.25 -1.30 0.00 0.00 177.93 178.15 2cax h HIS 38 N 0.59 0.82 -0.68 5.26 -0.00 -0.79 -0.21 115.15 120.13 2cax h HIS 38 Ca 0.60 -0.08 0.00 0.00 -0.00 0.00 0.00 60.37 60.89 2cax h HIS 38 Cb 1.08 -0.24 -0.03 0.00 -0.00 0.00 0.00 27.41 28.21 2cax h HIS 38 CO -0.04 0.70 0.43 0.82 -0.00 0.00 0.00 177.93 179.84 2cax h ILE 39 N 0.70 1.19 -0.05 6.26 2.04 -0.19 -1.07 117.51 126.39 2cax h ILE 39 Ca 0.17 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 2cax h ILE 39 Cb 0.26 0.21 -0.00 0.00 -0.74 0.00 0.00 36.82 36.54 2cax h ILE 39 CO -0.01 0.19 -0.01 0.40 0.00 0.00 0.00 178.15 178.72 2cax h ILE 40 N 0.93 1.30 -0.59 -0.67 1.08 -1.13 -2.46 117.51 115.98 2cax h ILE 40 Ca 0.25 -0.94 0.08 0.00 -0.39 0.00 0.00 64.86 63.86 2cax h ILE 40 Cb -0.06 1.84 -0.04 0.00 -3.07 0.00 0.00 36.82 35.49 2cax h ILE 40 CO -0.05 0.25 0.39 0.50 -0.69 0.00 0.00 178.15 178.56 2cax h LYS 41 N -0.27 0.45 0.06 2.37 3.64 -0.19 0.04 116.57 122.68 2cax h LYS 41 Ca 0.01 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.22 2cax h LYS 41 Cb 0.41 -0.10 0.01 0.00 -0.41 0.00 0.00 32.23 32.15 2cax h LYS 41 CO 0.01 0.30 -0.59 0.82 -2.27 0.00 0.00 179.45 177.72 2cax h ILE 42 N 0.46 1.52 -0.56 2.00 1.08 -1.26 -2.63 117.51 118.13 2cax h ILE 42 Ca 0.27 -2.28 -0.08 0.00 -0.39 0.00 0.00 64.86 62.37 2cax h ILE 42 Cb 0.44 2.96 -0.02 0.00 -3.07 0.00 0.00 36.82 37.12 2cax h ILE 42 CO -0.08 0.64 0.03 -0.08 -0.69 0.00 0.00 178.15 177.98 2cax h GLU 43 N -0.36 0.97 -0.15 2.37 4.57 -0.93 -0.33 114.58 120.72 2cax h GLU 43 Ca -0.09 -0.29 -0.17 0.00 -1.18 0.00 0.00 59.36 57.63 2cax h GLU 43 Cb 1.38 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 29.87 2cax h GLU 43 CO 0.11 0.96 -0.62 1.79 -1.18 0.00 0.00 179.01 180.07 2cax h THR 44 N 0.85 1.34 -0.81 0.32 1.35 -1.14 -0.95 112.91 113.87 2cax h THR 44 Ca 0.16 -1.91 -0.04 0.00 -0.55 0.00 0.00 66.41 64.07 2cax h THR 44 Cb 0.50 1.89 -0.04 0.00 -1.73 0.00 0.00 68.15 68.77 2cax h THR 44 CO 0.02 0.59 0.34 0.00 -0.25 0.00 0.00 175.52 176.23 2cax h ALA 45 N 0.94 1.08 -0.00 6.62 0.00 -1.34 0.15 119.26 126.70 2cax h ALA 45 Ca -0.01 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 2cax h ALA 45 Cb 1.18 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2cax h ALA 45 CO 0.11 0.66 -0.00 -0.22 0.00 0.00 0.00 179.25 179.80 2cax h LYS 46 N 1.17 0.01 -0.26 0.00 3.64 -0.85 -3.35 116.57 116.92 2cax h LYS 46 Ca 0.27 -0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.45 2cax h LYS 46 Cb 0.18 0.00 -0.18 0.00 -0.41 0.00 0.00 32.23 31.83 2cax h LYS 46 CO -0.03 0.60 -0.66 0.09 -2.27 0.00 0.00 179.45 177.19 2cax n ASN 47 N -4.80 2.73 -0.14 4.20 5.03 -0.38 -5.09 115.26 116.82 2cax n ASN 47 Ca -0.09 -3.68 0.02 0.00 0.87 0.00 0.00 54.58 51.69 2cax n ASN 47 Cb 0.30 -0.45 -0.01 0.00 -1.02 0.00 0.00 39.78 38.60 2cax n ASN 47 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2cax n GLY 48 N -0.87 -2.22 0.00 7.41 0.00 0.52 -4.93 105.19 105.10 2cax n GLY 48 Ca 0.26 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.83 2cax n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cax n GLY 49 N -2.53 0.45 3.39 -0.02 0.00 -1.24 -4.42 105.19 100.81 2cax n GLY 49 Ca -0.01 -2.02 -0.20 0.00 0.00 0.00 0.00 46.02 43.80 2cax n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cax s ASN 50 N -0.35 1.87 0.07 1.61 4.22 -1.26 -4.63 114.94 116.46 2cax s ASN 50 Ca 0.00 -1.48 -0.17 0.00 -2.14 0.00 0.00 52.86 49.08 2cax s ASN 50 Cb 0.00 0.21 -0.14 0.00 1.28 0.00 0.00 41.25 42.61 2cax s ASN 50 CO 0.00 -0.77 1.32 0.58 -2.04 0.00 0.00 177.10 176.19 2cax h VAL 51 N 2.16 1.34 -0.63 3.54 2.07 -1.97 -3.24 116.25 119.52 2cax h VAL 51 Ca -0.37 -1.62 0.13 0.00 0.82 0.00 0.00 66.70 65.66 2cax h VAL 51 Cb 1.25 1.91 -0.10 0.00 -1.52 0.00 0.00 31.29 32.83 2cax h VAL 51 CO 0.60 0.50 0.08 0.50 0.02 0.00 0.00 177.57 179.27 2cax h LYS 52 N 0.24 0.19 -0.03 1.57 3.64 -1.98 0.25 116.57 120.46 2cax h LYS 52 Ca 0.00 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 2cax h LYS 52 Cb 0.98 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.71 2cax h LYS 52 CO 0.08 0.13 -0.25 0.93 -2.27 0.00 0.00 179.45 178.07 2cax h GLU 53 N 0.20 -0.36 -0.52 1.90 5.08 -1.99 -0.83 114.58 118.05 2cax h GLU 53 Ca 0.34 0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.67 2cax h GLU 53 Cb 0.54 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 2cax h GLU 53 CO -0.48 -0.24 0.10 0.28 -1.00 0.00 0.00 179.01 177.67 2cax h VAL 54 N -0.37 1.25 -0.66 3.13 2.07 -1.28 -1.18 116.25 119.20 2cax h VAL 54 Ca 0.07 -0.92 -0.04 0.00 0.82 0.00 0.00 66.70 66.63 2cax h VAL 54 Cb 0.47 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 2cax h VAL 54 CO -0.25 0.33 0.23 -0.03 0.02 0.00 0.00 177.57 177.88 2cax h MET 55 N 0.74 0.98 -0.50 1.57 1.85 -0.34 0.45 114.93 119.68 2cax h MET 55 Ca 0.16 -0.18 -0.02 0.00 -0.61 0.00 0.00 59.70 59.05 2cax h MET 55 Cb 0.38 -0.16 -0.02 0.00 0.43 0.00 0.00 31.60 32.23 2cax h MET 55 CO 0.01 0.82 0.23 -0.44 -0.40 0.00 0.00 176.91 177.13 2cax h ASP 56 N 0.96 0.66 -0.57 1.39 3.32 -0.82 -2.52 116.42 118.84 2cax h ASP 56 Ca 0.22 -0.14 -0.11 0.00 0.02 0.00 0.00 57.03 57.03 2cax h ASP 56 Cb 0.23 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 2cax h ASP 56 CO -0.01 0.62 -0.05 -0.61 -1.72 0.00 0.00 179.24 177.46 2cax h GLN 57 N 0.67 1.05 -0.73 3.56 4.15 -0.12 0.16 115.11 123.84 2cax h GLN 57 Ca 0.17 -0.36 -0.04 0.00 0.77 0.00 0.00 58.65 59.20 2cax h GLN 57 Cb 0.13 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.71 2cax h GLN 57 CO -0.02 1.05 0.30 0.00 -1.93 0.00 0.00 178.83 178.23 2cax h ALA 58 N 0.98 1.16 0.00 3.38 0.00 -0.97 -1.85 119.26 121.96 2cax h ALA 58 Ca 0.16 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2cax h ALA 58 Cb 0.62 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2cax h ALA 58 CO 0.04 0.61 -0.00 1.25 0.00 0.00 0.00 179.25 181.15 2cax h LEU 59 N 1.05 -0.01 -0.90 0.00 6.46 -0.94 -1.33 115.31 119.65 2cax h LEU 59 Ca 0.25 -0.47 0.12 0.00 -0.12 0.00 0.00 57.88 57.66 2cax h LEU 59 Cb 0.18 0.00 -0.08 0.00 -0.73 0.00 0.00 40.66 40.03 2cax h LEU 59 CO -0.02 0.47 0.52 -0.08 -0.62 0.00 0.00 178.44 178.71 2cax h GLU 60 N -0.48 0.78 -0.16 1.25 4.81 -0.93 -1.09 114.58 118.76 2cax h GLU 60 Ca -0.00 -0.05 -0.15 0.00 -0.13 0.00 0.00 59.36 59.03 2cax h GLU 60 Cb 0.48 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 2cax h GLU 60 CO 0.00 0.52 -0.54 0.93 -0.73 0.00 0.00 179.01 179.19 2cax h GLU 61 N 0.81 0.47 -0.32 1.92 5.08 -1.24 -1.67 114.58 119.62 2cax h GLU 61 Ca 0.46 -0.29 0.03 0.00 -1.00 0.00 0.00 59.36 58.55 2cax h GLU 61 Cb 0.51 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 2cax h GLU 61 CO -0.29 0.89 0.13 -0.92 -1.00 0.00 0.00 179.01 177.82 2cax h TYR 62 N 0.36 0.24 -0.24 4.33 5.03 -0.36 -1.74 116.97 124.59 2cax h TYR 62 Ca 0.01 0.01 -0.07 0.00 2.58 0.00 0.00 58.73 61.26 2cax h TYR 62 Cb 1.07 -0.06 -0.01 0.00 1.55 0.00 0.00 36.73 39.27 2cax h TYR 62 CO 0.04 0.12 -0.15 0.82 -1.32 0.00 0.00 178.16 177.66 2cax h ILE 63 N 0.29 1.23 -0.06 1.81 2.04 -0.75 -1.16 117.51 120.91 2cax h ILE 63 Ca 0.14 -1.02 -0.15 0.00 1.00 0.00 0.00 64.86 64.83 2cax h ILE 63 Cb 0.09 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 2cax h ILE 63 CO -0.12 0.33 -0.65 0.03 0.00 0.00 0.00 178.15 177.74 2cax h ARG 64 N 0.38 0.22 -0.24 2.37 3.08 -1.16 0.58 114.38 119.61 2cax h ARG 64 Ca 0.07 -0.16 -0.10 0.00 0.07 0.00 0.00 59.98 59.86 2cax h ARG 64 Cb 0.50 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.58 2cax h ARG 64 CO 0.03 0.79 -0.22 -0.22 -1.07 0.00 0.00 179.97 179.28 2cax h LYS 65 N 0.16 0.58 0.00 0.04 3.64 -0.46 -3.34 116.57 117.19 2cax h LYS 65 Ca -0.01 -0.30 -0.03 0.00 -1.27 0.00 0.00 60.65 59.03 2cax h LYS 65 Cb 1.17 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.99 2cax h LYS 65 CO 0.10 0.89 -1.34 0.66 -2.27 0.00 0.00 179.45 177.49 2cax n TYR 66 N -4.37 0.00 -2.61 1.91 4.01 -0.52 -4.73 117.16 110.84 2cax n TYR 66 Ca -0.04 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.57 2cax n TYR 66 Cb 0.42 -0.20 0.03 0.00 -0.31 0.00 0.00 39.34 39.28 2cax n TYR 66 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2cax n LEU 67 N -1.88 2.37 -0.08 7.72 4.77 0.20 -4.95 117.00 125.15 2cax n LEU 67 Ca -0.04 -3.96 -0.09 0.00 -0.03 0.00 0.00 56.01 51.89 2cax n LEU 67 Cb 0.33 0.20 -0.01 0.00 -2.33 0.00 0.00 43.42 41.61 2cax n LEU 67 CO 0.14 1.64 0.96 1.55 -1.33 0.00 0.00 177.39 180.35 2cax h PRO 68 N 2.79 0.31 -0.61 3.23 0.13 -1.56 0.21 132.00 136.49 2cax h PRO 68 Ca 0.01 -0.02 0.13 0.00 -0.87 0.00 0.00 66.00 65.24 2cax h PRO 68 Cb 1.17 -0.07 -0.12 0.00 0.13 0.00 0.00 31.00 32.11 2cax h PRO 68 CO 0.53 0.20 -0.14 -0.40 -0.23 0.00 0.00 178.00 177.97 2cax n ASP 69 N -4.95 -0.21 0.17 1.44 3.85 -1.26 -0.47 116.55 115.13 2cax n ASP 69 Ca -0.01 1.05 0.03 0.00 -0.71 0.00 0.00 54.79 55.14 2cax n ASP 69 Cb 0.06 -0.32 0.30 0.00 -1.35 0.00 0.00 41.12 39.81 2cax n ASP 69 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 177.20 176.30 2cax h LYS 70 N 0.00 0.00 0.00 0.11 1.79 -0.93 -3.54 116.57 114.00 2cax h LYS 70 Ca 0.30 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.77 2cax h LYS 70 Cb 0.47 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 2cax h LYS 70 CO -0.62 0.44 0.00 -0.11 -1.08 0.00 0.00 179.45 178.08