#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1apq h VAL 24 N 0.00 0.90 0.00 0.00 -1.51 -1.91 -3.27 116.25 110.45 1apq h VAL 24 Ca 0.00 -0.02 -0.54 0.00 -1.23 0.00 0.00 66.70 64.91 1apq h VAL 24 Cb 0.00 0.83 0.02 0.00 -2.13 0.00 0.00 31.29 30.01 1apq h VAL 24 CO 0.00 0.01 3.25 -0.67 -1.23 0.00 0.00 177.57 178.94 1apq n ASP 25 N -4.47 6.82 0.00 4.19 2.03 -1.26 -4.93 116.55 118.93 1apq n ASP 25 Ca 0.03 -2.46 0.00 0.00 0.52 0.00 0.00 54.79 52.88 1apq n ASP 25 Cb 0.30 -1.34 0.00 0.00 -0.72 0.00 0.00 41.12 39.36 1apq n ASP 25 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1apq n LEU 26 N 3.98 0.00 -4.09 -2.67 4.77 -1.24 -2.74 117.00 115.01 1apq n LEU 26 Ca 0.62 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 56.17 1apq n LEU 26 Cb 0.19 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1apq n LEU 26 CO 0.79 0.00 0.98 0.47 -1.33 0.00 0.00 177.39 178.30 1apq n ASP 27 N -0.53 6.04 -0.30 -1.43 8.00 -1.26 -4.20 116.55 122.87 1apq n ASP 27 Ca 0.00 -3.30 0.25 0.00 0.71 0.00 0.00 54.79 52.46 1apq n ASP 27 Cb 0.00 -1.28 0.47 0.00 -0.02 0.00 0.00 41.12 40.29 1apq n ASP 27 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1apq n GLU 28 N 1.73 -0.06 -0.36 -1.24 4.71 -1.11 -0.46 120.64 123.85 1apq n GLU 28 Ca 0.25 1.28 0.27 0.00 -0.01 0.00 0.00 57.16 58.95 1apq n GLU 28 Cb 0.35 -2.23 0.53 0.00 -1.01 0.00 0.00 31.44 29.08 1apq n GLU 28 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1apq h ALA 30 N 1.74 0.01 -0.00 0.00 0.00 -1.20 -3.24 119.26 116.57 1apq h ALA 30 Ca 0.73 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.62 1apq h ALA 30 Cb 1.87 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.71 1apq h ALA 30 CO -0.50 -0.51 -0.12 0.66 0.00 0.00 0.00 179.25 178.79 1apq h SER 31 N -0.02 0.11 0.00 0.00 4.64 -1.34 -3.47 113.55 113.47 1apq h SER 31 Ca 0.02 -0.77 0.00 0.00 -0.47 0.00 0.00 61.79 60.57 1apq h SER 31 Cb 0.05 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1apq h SER 31 CO -0.05 0.86 0.00 -2.11 -0.87 0.00 0.00 176.83 174.67 1apq n ARG 32 N -4.62 0.00 -0.72 4.77 1.85 0.48 -0.62 116.66 117.80 1apq n ARG 32 Ca -0.09 0.00 -0.03 0.00 -1.00 0.00 0.00 57.85 56.72 1apq n ARG 32 Cb 0.44 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.82 1apq n ARG 32 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 1apq n SER 33 N 0.00 -0.44 -3.49 2.89 3.41 -1.26 -4.61 113.62 110.12 1apq n SER 33 Ca 0.00 -0.87 -0.37 0.00 -0.26 0.00 0.00 58.87 57.37 1apq n SER 33 Cb 0.00 0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 64.06 1apq n SER 33 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1apq n LYS 34 N -0.00 2.49 -0.78 4.33 5.02 0.21 -4.34 118.16 125.09 1apq n LYS 34 Ca -0.12 -2.06 -0.08 0.00 -2.02 0.00 0.00 58.31 54.03 1apq n LYS 34 Cb 0.45 -2.90 -0.12 0.00 -0.02 0.00 0.00 35.03 32.43 1apq n LYS 34 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1apq n SER 35 N 5.53 4.48 0.00 4.39 3.41 -1.26 -4.89 113.62 125.28 1apq n SER 35 Ca 0.55 -2.31 0.00 0.00 -0.26 0.00 0.00 58.87 56.85 1apq n SER 35 Cb 0.30 -1.17 0.00 0.00 -0.26 0.00 0.00 64.21 63.08 1apq n SER 35 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1apq n GLY 36 N 2.40 0.29 0.00 5.00 0.00 -1.26 -0.45 105.19 111.17 1apq n GLY 36 Ca 0.30 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.99 1apq n GLY 36 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1apq n GLU 37 N 0.00 2.51 -1.69 1.61 0.00 -1.26 -4.76 120.64 117.05 1apq n GLU 37 Ca 0.00 -0.25 -0.42 0.00 0.00 0.00 0.00 57.16 56.49 1apq n GLU 37 Cb 0.00 -0.73 -0.02 0.00 0.00 0.00 0.00 31.44 30.69 1apq n GLU 37 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1apq n GLU 38 N -0.43 2.53 -3.68 3.44 1.02 0.40 -4.46 120.64 119.46 1apq n GLU 38 Ca 0.00 -2.49 -0.29 0.00 -0.02 0.00 0.00 57.16 54.36 1apq n GLU 38 Cb 0.01 -3.24 0.04 0.00 -0.02 0.00 0.00 31.44 28.23 1apq n GLU 38 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1apq n ASP 39 N 6.94 -4.63 -3.35 1.62 2.03 -1.26 -4.75 116.55 113.14 1apq n ASP 39 Ca 0.51 -0.99 -0.36 0.00 0.52 0.00 0.00 54.79 54.47 1apq n ASP 39 Cb 0.40 -3.50 -0.02 0.00 -0.72 0.00 0.00 41.12 37.28 1apq n ASP 39 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1apq n PRO 40 N -4.16 3.20 -1.97 -0.67 -0.04 -1.26 -4.91 135.00 125.18 1apq n PRO 40 Ca -0.13 -2.10 -0.43 0.00 -0.04 0.00 0.00 63.50 60.81 1apq n PRO 40 Cb 0.61 -2.80 -0.03 0.00 -0.04 0.00 0.00 33.50 31.24 1apq n PRO 40 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1apq s GLN 41 N 2.65 3.69 -0.55 0.54 -0.21 -1.26 -4.80 119.66 119.72 1apq s GLN 41 Ca 0.60 1.81 -0.33 0.00 0.02 0.00 0.00 55.36 57.47 1apq s GLN 41 Cb 0.16 -4.12 -0.14 0.00 1.00 0.00 0.00 33.01 29.91 1apq s GLN 41 CO -0.05 -1.43 2.36 -2.30 -2.12 0.00 0.00 175.29 171.74 1apq n PRO 42 N 7.89 0.70 -1.60 2.91 -0.02 -1.26 -4.77 135.00 138.85 1apq n PRO 42 Ca 0.21 0.13 -0.41 0.00 -2.02 0.00 0.00 63.50 61.41 1apq n PRO 42 Cb 0.45 -2.33 -0.01 0.00 -0.02 0.00 0.00 33.50 31.58 1apq n PRO 42 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1apq n GLN 43 N 8.37 3.20 0.00 -0.52 7.27 -1.26 -3.55 117.38 130.90 1apq n GLN 43 Ca 0.48 -2.49 0.00 0.00 0.07 0.00 0.00 57.00 55.06 1apq n GLN 43 Cb 0.22 -3.10 0.00 0.00 2.41 0.00 0.00 30.24 29.77 1apq n GLN 43 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1apq h GLN 45 N 0.00 -0.33 0.00 0.00 -0.00 -0.84 -3.41 115.11 110.53 1apq h GLN 45 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.67 1apq h GLN 45 Cb 0.00 0.08 0.00 0.00 0.00 0.00 0.00 27.48 27.56 1apq h GLN 45 CO 0.00 -0.22 0.00 0.72 0.00 0.00 0.00 178.83 179.33 1apq n HIS 46 N -5.37 0.00 -4.30 3.99 8.25 -1.26 -5.02 115.22 111.51 1apq n HIS 46 Ca -0.04 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.23 1apq n HIS 46 Cb 0.28 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.32 1apq n HIS 46 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45 1apq n LEU 47 N -0.80 0.00 0.00 2.41 -0.00 -1.15 -5.05 117.00 112.41 1apq n LEU 47 Ca 0.00 -3.07 -0.08 0.00 -0.00 0.00 0.00 56.01 52.85 1apq n LEU 47 Cb 0.00 1.56 -0.02 0.00 -0.00 0.00 0.00 43.42 44.96 1apq n LEU 47 CO 0.00 -0.51 0.07 0.00 -0.00 0.00 0.00 177.39 176.95 1apq s HIS 49 N -3.71 0.78 0.16 0.00 3.76 0.13 -4.86 115.29 111.56 1apq s HIS 49 Ca 0.17 -0.85 0.09 0.00 -0.15 0.00 0.00 55.06 54.31 1apq s HIS 49 Cb -0.00 -0.47 -0.04 0.00 1.11 0.00 0.00 32.58 33.18 1apq s HIS 49 CO 0.12 -0.17 -0.11 1.21 -0.85 0.00 0.00 174.74 174.94 1apq s ASN 50 N -2.71 4.22 -0.01 1.40 3.84 -1.26 -0.94 114.94 119.48 1apq s ASN 50 Ca 0.06 -0.54 -0.05 0.00 0.21 0.00 0.00 52.86 52.54 1apq s ASN 50 Cb 0.02 -0.71 0.02 0.00 -0.55 0.00 0.00 41.25 40.03 1apq s ASN 50 CO -0.04 0.13 0.23 0.00 -2.79 0.00 0.00 177.10 174.62 1apq n TYR 51 N 0.29 -0.16 -1.17 0.43 4.11 -1.21 -4.92 117.16 114.54 1apq n TYR 51 Ca -0.12 -0.12 -0.32 0.00 -0.00 0.00 0.00 57.90 57.35 1apq n TYR 51 Cb 0.54 0.05 0.11 0.00 -0.00 0.00 0.00 39.34 40.05 1apq n TYR 51 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 1apq s VAL 52 N -2.11 2.86 0.00 -3.48 0.11 -1.26 0.27 120.40 116.79 1apq s VAL 52 Ca 0.05 0.30 0.00 0.00 -2.93 0.00 0.00 61.98 59.41 1apq s VAL 52 Cb -0.00 -2.66 0.00 0.00 -1.53 0.00 0.00 36.38 32.18 1apq s VAL 52 CO -0.00 -0.34 0.00 0.61 -3.33 0.00 0.00 175.10 172.04 1apq n GLY 53 N -0.58 1.02 0.00 6.54 0.00 -1.26 -4.55 105.19 106.36 1apq n GLY 53 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1apq n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1apq n GLY 54 N 0.00 -1.11 3.41 -0.02 0.00 -1.22 -4.86 105.19 101.39 1apq n GLY 54 Ca 0.00 0.59 -0.13 0.00 0.00 0.00 0.00 46.02 46.48 1apq n GLY 54 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1apq s TYR 55 N 0.00 -0.47 0.01 1.61 1.13 -1.26 0.48 117.35 118.86 1apq s TYR 55 Ca 0.00 0.36 0.04 0.00 -1.41 0.00 0.00 57.07 56.06 1apq s TYR 55 Cb 0.00 0.44 -0.01 0.00 -1.10 0.00 0.00 41.96 41.29 1apq s TYR 55 CO 0.00 -0.75 -0.12 -0.59 -2.51 0.00 0.00 175.55 171.57 1apq s PHE 56 N -3.21 1.10 0.72 -3.49 -0.71 -0.12 -4.98 117.98 107.30 1apq s PHE 56 Ca -0.01 -0.26 -0.08 0.00 -1.04 0.00 0.00 56.93 55.53 1apq s PHE 56 Cb -0.00 -0.69 0.06 0.00 -1.21 0.00 0.00 43.02 41.18 1apq s PHE 56 CO -0.08 -0.00 1.05 0.00 -1.34 0.00 0.00 175.22 174.85 1apq n SER 58 N -3.00 -1.81 -4.25 0.00 7.64 -0.62 -4.79 113.62 106.79 1apq n SER 58 Ca 0.08 -2.11 -0.14 0.00 1.01 0.00 0.00 58.87 57.71 1apq n SER 58 Cb 0.60 2.98 -0.10 0.00 -1.01 0.00 0.00 64.21 66.68 1apq n SER 58 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1apq s ARG 60 N -3.93 2.00 0.83 0.00 0.52 -1.26 -4.95 118.95 112.16 1apq s ARG 60 Ca 0.26 0.03 -0.13 0.00 -0.52 0.00 0.00 55.73 55.37 1apq s ARG 60 Cb 0.06 -1.99 0.06 0.00 0.52 0.00 0.00 34.95 33.60 1apq s ARG 60 CO 0.05 -1.53 0.94 -2.30 0.02 0.00 0.00 175.30 172.49 1apq n PRO 61 N -3.24 0.08 -1.30 3.54 -0.02 -1.26 -2.99 135.00 129.81 1apq n PRO 61 Ca 0.08 0.09 -0.10 0.00 -2.02 0.00 0.00 63.50 61.55 1apq n PRO 61 Cb 0.61 -2.23 -0.04 0.00 -0.02 0.00 0.00 33.50 31.82 1apq n PRO 61 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1apq n GLY 62 N 0.89 1.14 3.06 -1.23 0.00 -1.26 -5.00 105.19 102.79 1apq n GLY 62 Ca 0.12 -0.40 -0.10 0.00 0.00 0.00 0.00 46.02 45.63 1apq n GLY 62 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1apq s TYR 63 N -2.29 0.15 -0.03 1.61 1.51 -0.89 -2.47 117.35 114.93 1apq s TYR 63 Ca 0.00 -0.34 0.06 0.00 -1.01 0.00 0.00 57.07 55.78 1apq s TYR 63 Cb 0.00 -0.12 -0.01 0.00 -0.11 0.00 0.00 41.96 41.72 1apq s TYR 63 CO 0.00 -0.27 -0.22 -2.00 -1.11 0.00 0.00 175.55 171.96 1apq s GLU 64 N -1.61 1.99 -0.21 -0.62 2.12 0.57 -4.74 118.70 116.19 1apq s GLU 64 Ca -0.14 -0.77 -0.29 0.00 0.36 0.00 0.00 54.97 54.13 1apq s GLU 64 Cb -0.07 -1.80 0.00 0.00 0.26 0.00 0.00 34.13 32.52 1apq s GLU 64 CO -0.00 0.39 1.11 -1.17 -0.54 0.00 0.00 175.26 175.05 1apq s LEU 65 N -0.28 4.12 0.79 2.70 1.98 -1.26 -1.44 118.68 125.29 1apq s LEU 65 Ca 0.02 1.48 -0.12 0.00 -2.89 0.00 0.00 54.13 52.62 1apq s LEU 65 Cb -0.11 -3.54 0.07 0.00 0.66 0.00 0.00 46.19 43.27 1apq s LEU 65 CO 0.01 -0.70 1.11 -1.10 -1.89 0.00 0.00 176.35 173.78 1apq s GLN 66 N 3.31 2.12 0.46 1.98 -1.52 -0.11 -4.92 119.66 120.99 1apq s GLN 66 Ca 0.48 0.46 0.31 0.00 -1.95 0.00 0.00 55.36 54.66 1apq s GLN 66 Cb -0.17 -1.94 1.69 0.00 -0.22 0.00 0.00 33.01 32.37 1apq s GLN 66 CO 0.09 -1.55 1.95 0.93 -0.25 0.00 0.00 175.29 176.46 1apq h GLU 67 N -1.04 0.00 -0.01 2.91 3.07 -1.95 0.11 114.58 117.68 1apq h GLU 67 Ca -0.47 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.39 1apq h GLU 67 Cb 1.28 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.19 1apq h GLU 67 CO 0.62 0.00 -0.04 -0.40 -1.40 0.00 0.00 179.01 177.79 1apq n ASP 68 N -2.59 0.62 0.00 1.42 5.68 -1.26 -4.94 116.55 115.48 1apq n ASP 68 Ca -0.02 -1.00 0.00 0.00 -0.50 0.00 0.00 54.79 53.27 1apq n ASP 68 Cb 0.05 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.01 1apq n ASP 68 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 1apq n ARG 69 N -0.62 0.00 -0.02 0.11 0.63 0.39 -4.61 116.66 112.53 1apq n ARG 69 Ca 0.19 0.00 -0.18 0.00 -0.92 0.00 0.00 57.85 56.94 1apq n ARG 69 Cb 0.24 -0.11 -0.13 0.00 0.45 0.00 0.00 32.46 32.90 1apq n ARG 69 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1apq h HIS 70 N 0.00 0.24 -3.89 -0.14 3.86 -1.90 -3.43 115.15 109.89 1apq h HIS 70 Ca 0.00 -0.17 -0.48 0.00 -1.16 0.00 0.00 60.37 58.56 1apq h HIS 70 Cb 0.00 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.45 1apq h HIS 70 CO 0.00 1.22 0.38 -1.54 0.86 0.00 0.00 177.93 178.85 1apq s SER 71 N -6.64 7.18 -0.14 2.45 1.04 -1.26 -0.50 113.70 115.83 1apq s SER 71 Ca -0.18 1.94 0.00 0.00 0.48 0.00 0.00 55.95 58.19 1apq s SER 71 Cb 0.00 -2.59 -0.01 0.00 0.10 0.00 0.00 66.02 63.53 1apq s SER 71 CO 0.74 -0.18 -0.14 0.00 0.98 0.00 0.00 173.24 174.63 1apq s GLN 73 N 0.62 1.70 -0.30 0.00 -0.21 -0.52 -4.94 119.66 116.01 1apq s GLN 73 Ca -0.08 -1.81 -0.29 0.00 0.02 0.00 0.00 55.36 53.20 1apq s GLN 73 Cb -0.16 -1.71 0.01 0.00 1.00 0.00 0.00 33.01 32.15 1apq s GLN 73 CO 0.03 0.27 1.15 0.00 -2.12 0.00 0.00 175.29 174.61 1apq s ALA 74 N -2.57 3.47 0.00 6.09 0.00 -1.26 -0.31 121.76 127.18 1apq s ALA 74 Ca 0.30 0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.28 1apq s ALA 74 Cb -0.03 -3.70 0.00 0.00 0.00 0.00 0.00 23.12 19.39 1apq s ALA 74 CO 0.15 -1.54 0.00 0.39 0.00 0.00 0.00 175.76 174.76