#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 1.04 -0.33 0.00 2.07 -2.09 -3.42 116.25 113.52 1apq h VAL 24 Ca 0.00 -0.35 -0.66 0.00 0.82 0.00 0.00 66.70 66.51 1apq h VAL 24 Cb 0.00 -0.05 -0.11 0.00 -1.52 0.00 0.00 31.29 29.60 1apq h VAL 24 CO 0.00 0.18 -0.47 -0.62 0.02 0.00 0.00 177.57 176.69 1apq s ASP 25 N -5.79 4.25 0.25 0.57 -1.08 -1.26 -5.09 116.67 108.52 1apq s ASP 25 Ca -0.13 -1.59 -0.18 0.00 -0.52 0.00 0.00 52.55 50.14 1apq s ASP 25 Cb 0.19 0.55 0.01 0.00 -1.46 0.00 0.00 42.92 42.22 1apq s ASP 25 CO 0.80 -0.93 0.61 -1.48 0.52 0.00 0.00 175.17 174.68 1apq s LEU 26 N -3.97 -0.02 -1.21 -1.34 2.34 -1.26 -5.07 118.68 108.15 1apq s LEU 26 Ca 0.10 -0.68 -0.20 0.00 0.06 0.00 0.00 54.13 53.41 1apq s LEU 26 Cb 0.00 2.31 0.02 0.00 -0.56 0.00 0.00 46.19 47.97 1apq s LEU 26 CO 0.06 -1.22 1.76 1.51 -1.06 0.00 0.00 176.35 177.39 1apq s ASP 27 N -2.94 6.24 0.65 1.48 -4.77 -1.26 -4.73 116.67 111.33 1apq s ASP 27 Ca 0.14 -2.00 0.39 0.00 -3.30 0.00 0.00 52.55 47.79 1apq s ASP 27 Cb -0.03 -2.58 2.18 0.00 -1.09 0.00 0.00 42.92 41.40 1apq s ASP 27 CO 0.06 -1.79 2.29 -0.33 0.70 0.00 0.00 175.17 176.10 1apq h GLU 28 N 8.66 0.00 -0.90 2.11 5.08 -1.85 0.13 114.58 127.81 1apq h GLU 28 Ca 0.33 0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.86 1apq h GLU 28 Cb 0.92 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.09 1apq h GLU 28 CO 1.38 0.00 0.58 0.00 -1.00 0.00 0.00 179.01 179.97 1apq n ALA 30 N -2.46 0.86 -0.75 0.00 0.00 0.11 -4.68 120.51 113.59 1apq n ALA 30 Ca 0.18 -0.68 -0.10 0.00 0.00 0.00 0.00 53.44 52.85 1apq n ALA 30 Cb 0.56 -0.23 -0.12 0.00 0.00 0.00 0.00 19.45 19.66 1apq n ALA 30 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1apq n SER 31 N -4.41 3.96 -3.12 0.00 7.64 0.23 -4.73 113.62 113.19 1apq n SER 31 Ca -0.33 -2.23 -0.35 0.00 1.01 0.00 0.00 58.87 56.97 1apq n SER 31 Cb 0.66 -1.06 -0.05 0.00 -1.01 0.00 0.00 64.21 62.76 1apq n SER 31 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1apq n ARG 32 N 2.68 3.51 0.00 1.43 1.74 -1.21 -4.74 116.66 120.06 1apq n ARG 32 Ca 0.33 -2.13 0.00 0.00 -0.77 0.00 0.00 57.85 55.28 1apq n ARG 32 Cb 0.66 -2.66 0.00 0.00 -1.02 0.00 0.00 32.46 29.44 1apq n ARG 32 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1apq n SER 33 N 3.23 0.00 -3.20 0.55 2.88 -1.26 -0.64 113.62 115.18 1apq n SER 33 Ca 0.72 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.90 1apq n SER 33 Cb 0.34 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.76 1apq n SER 33 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1apq n LYS 34 N 1.15 3.45 -3.69 -1.46 4.76 -1.26 -4.49 118.16 116.61 1apq n LYS 34 Ca 0.00 -2.05 -0.22 0.00 -2.87 0.00 0.00 58.31 53.17 1apq n LYS 34 Cb 0.00 -2.71 0.03 0.00 -1.84 0.00 0.00 35.03 30.51 1apq n LYS 34 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1apq n SER 35 N 3.55 -1.76 -2.32 4.39 7.64 -0.97 -4.84 113.62 119.31 1apq n SER 35 Ca 0.73 -0.85 -0.13 0.00 1.01 0.00 0.00 58.87 59.63 1apq n SER 35 Cb 0.27 -3.97 -0.11 0.00 -1.01 0.00 0.00 64.21 59.39 1apq n SER 35 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1apq n GLY 36 N -1.60 2.77 2.07 0.23 0.00 0.19 -4.70 105.19 104.16 1apq n GLY 36 Ca -0.27 -0.99 -0.16 0.00 0.00 0.00 0.00 46.02 44.60 1apq n GLY 36 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1apq n GLU 37 N 2.85 2.26 -1.50 1.61 4.71 -1.26 -4.74 120.64 124.57 1apq n GLU 37 Ca 0.39 -1.25 -0.40 0.00 -0.01 0.00 0.00 57.16 55.88 1apq n GLU 37 Cb 0.62 -2.11 -0.02 0.00 -1.01 0.00 0.00 31.44 28.92 1apq n GLU 37 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1apq n GLU 38 N 2.52 3.42 -3.36 3.49 1.02 -1.26 -4.66 120.64 121.81 1apq n GLU 38 Ca 0.48 -2.41 0.02 0.00 -0.02 0.00 0.00 57.16 55.23 1apq n GLU 38 Cb 0.81 -2.98 -0.03 0.00 -0.02 0.00 0.00 31.44 29.22 1apq n GLU 38 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1apq s ASP 39 N 2.47 -0.68 -1.35 1.62 2.15 -1.26 -5.08 116.67 114.54 1apq s ASP 39 Ca 0.61 0.80 -0.15 0.00 0.43 0.00 0.00 52.55 54.23 1apq s ASP 39 Cb 0.16 1.72 0.01 0.00 -0.30 0.00 0.00 42.92 44.51 1apq s ASP 39 CO -0.07 -0.13 2.19 -0.81 -0.17 0.00 0.00 175.17 176.18 1apq n PRO 40 N 5.14 2.65 -3.89 4.34 -0.04 -1.26 -4.80 135.00 137.14 1apq n PRO 40 Ca -0.08 -2.47 -0.10 0.00 -0.04 0.00 0.00 63.50 60.81 1apq n PRO 40 Cb 0.52 -3.22 -0.09 0.00 -0.04 0.00 0.00 33.50 30.67 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 3.46 0.65 -0.92 0.54 -0.21 -1.26 -5.09 119.66 116.83 1apq s GLN 41 Ca 0.49 -0.72 -0.24 0.00 0.02 0.00 0.00 55.36 54.91 1apq s GLN 41 Cb 0.14 0.26 0.03 0.00 1.00 0.00 0.00 33.01 34.44 1apq s GLN 41 CO -0.06 -0.18 1.52 -1.25 -2.12 0.00 0.00 175.29 173.21 1apq s PRO 42 N -2.68 3.29 -0.43 2.91 0.04 -1.26 -4.94 135.00 131.93 1apq s PRO 42 Ca -0.04 -0.71 -0.27 0.00 0.04 0.00 0.00 61.00 60.02 1apq s PRO 42 Cb -0.01 -5.01 -0.07 0.00 0.04 0.00 0.00 34.50 29.45 1apq s PRO 42 CO -0.05 -2.41 2.37 1.04 0.04 0.00 0.00 177.00 177.99 1apq n GLN 43 N 9.00 1.27 -2.31 4.56 3.00 -1.26 -2.46 117.38 129.17 1apq n GLN 43 Ca 0.27 0.14 -0.05 0.00 -0.01 0.00 0.00 57.00 57.36 1apq n GLN 43 Cb 0.50 -3.33 0.03 0.00 0.00 0.00 0.00 30.24 27.43 1apq n GLN 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1apq n GLN 45 N -2.02 -0.07 0.00 0.00 7.27 0.24 -4.04 117.38 118.76 1apq n GLN 45 Ca -0.07 1.32 0.00 0.00 0.07 0.00 0.00 57.00 58.32 1apq n GLN 45 Cb 0.55 -2.07 0.00 0.00 2.41 0.00 0.00 30.24 31.13 1apq n GLN 45 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 1apq n HIS 46 N -5.29 0.00 -3.92 3.69 8.25 -1.26 -5.00 115.22 111.68 1apq n HIS 46 Ca 0.19 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.56 1apq n HIS 46 Cb 0.63 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.64 1apq n HIS 46 CO 0.00 0.00 0.00 -0.48 0.64 0.00 0.00 176.34 176.50 1apq s LEU 47 N -1.87 1.78 0.58 2.41 0.05 -1.10 -5.04 118.68 115.49 1apq s LEU 47 Ca 0.00 -0.50 0.03 0.00 0.05 0.00 0.00 54.13 53.71 1apq s LEU 47 Cb 0.00 0.61 0.06 0.00 -2.05 0.00 0.00 46.19 44.81 1apq s LEU 47 CO 0.00 -0.49 0.81 0.00 -0.55 0.00 0.00 176.35 176.12 1apq s HIS 49 N -2.80 -0.58 0.14 0.00 3.76 0.67 -4.75 115.29 111.73 1apq s HIS 49 Ca 0.60 1.05 -0.13 0.00 -0.15 0.00 0.00 55.06 56.44 1apq s HIS 49 Cb -0.08 0.05 -0.07 0.00 1.11 0.00 0.00 32.58 33.59 1apq s HIS 49 CO 0.39 -0.47 0.51 -0.80 -0.85 0.00 0.00 174.74 173.53 1apq s ASN 50 N 2.49 6.76 0.19 1.40 0.01 -1.26 -0.40 114.94 124.12 1apq s ASN 50 Ca 0.03 0.99 -0.16 0.00 -0.71 0.00 0.00 52.86 53.01 1apq s ASN 50 Cb -0.13 -2.25 0.06 0.00 0.41 0.00 0.00 41.25 39.33 1apq s ASN 50 CO -0.11 0.10 0.77 0.00 -1.51 0.00 0.00 177.10 176.35 1apq n TYR 51 N 0.72 -1.43 -1.98 2.20 4.11 0.08 -4.94 117.16 115.93 1apq n TYR 51 Ca -0.05 -1.13 -0.41 0.00 -0.00 0.00 0.00 57.90 56.30 1apq n TYR 51 Cb 0.52 0.56 -0.02 0.00 -0.00 0.00 0.00 39.34 40.40 1apq n TYR 51 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.86 177.00 1apq s VAL 52 N -2.19 2.51 0.00 -3.48 -7.23 -1.26 -0.54 120.40 108.20 1apq s VAL 52 Ca 0.17 0.46 0.00 0.00 -1.81 0.00 0.00 61.98 60.80 1apq s VAL 52 Cb -0.03 -3.29 0.00 0.00 0.56 0.00 0.00 36.38 33.62 1apq s VAL 52 CO 0.06 0.09 0.00 0.61 -0.31 0.00 0.00 175.10 175.54 1apq n GLY 53 N 1.57 2.29 0.00 2.32 0.00 -1.26 -4.80 105.19 105.31 1apq n GLY 53 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.00 1.32 3.76 -0.02 0.00 0.30 -5.07 105.19 103.47 1apq n GLY 54 Ca 0.00 -0.56 -0.08 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.13 0.11 1.61 1.13 -1.26 -0.74 117.35 118.07 1apq s TYR 55 Ca 0.00 -0.29 0.00 0.00 -1.41 0.00 0.00 57.07 55.38 1apq s TYR 55 Cb 0.00 0.59 -0.00 0.00 -1.10 0.00 0.00 41.96 41.45 1apq s TYR 55 CO 0.00 -1.14 0.13 1.97 -2.51 0.00 0.00 175.55 174.00 1apq n PHE 56 N -0.43 -0.60 -4.22 -3.49 -1.74 0.46 -4.93 117.46 102.51 1apq n PHE 56 Ca -0.05 -0.79 -0.13 0.00 -0.56 0.00 0.00 57.45 55.92 1apq n PHE 56 Cb 0.60 0.15 -0.10 0.00 1.52 0.00 0.00 39.48 41.65 1apq n PHE 56 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1apq n SER 58 N -0.34 0.00 -3.99 0.00 2.88 0.24 -4.85 113.62 107.56 1apq n SER 58 Ca 0.02 -0.79 -0.09 0.00 -1.33 0.00 0.00 58.87 56.67 1apq n SER 58 Cb 0.66 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 64.04 1apq n SER 58 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1apq s ARG 60 N -3.95 4.23 0.83 0.00 3.00 -1.26 -4.95 118.95 116.86 1apq s ARG 60 Ca 0.14 2.37 -0.16 0.00 -1.00 0.00 0.00 55.73 57.09 1apq s ARG 60 Cb 0.05 -3.07 -0.06 0.00 0.00 0.00 0.00 34.95 31.87 1apq s ARG 60 CO -0.04 -0.44 0.04 -2.30 0.00 0.00 0.00 175.30 172.56 1apq n PRO 61 N 1.92 0.02 0.00 5.12 -0.02 -1.26 -2.30 135.00 138.48 1apq n PRO 61 Ca 0.06 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1apq n PRO 61 Cb 0.40 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 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 2.23 2.00 3.78 -1.23 0.00 -1.26 -4.97 105.19 105.74 1apq n GLY 62 Ca 0.06 -0.27 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 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 0.00 2.50 -0.10 1.61 1.51 -0.97 -4.33 117.35 117.56 1apq s TYR 63 Ca 0.00 0.86 -0.09 0.00 -1.01 0.00 0.00 57.07 56.84 1apq s TYR 63 Cb 0.00 -3.38 0.03 0.00 -0.11 0.00 0.00 41.96 38.50 1apq s TYR 63 CO 0.00 -2.38 0.27 -1.21 -1.11 0.00 0.00 175.55 171.11 1apq s GLU 64 N -5.26 0.30 -0.15 -0.62 0.41 0.82 -4.83 118.70 109.37 1apq s GLU 64 Ca 0.64 0.41 -0.29 0.00 -0.41 0.00 0.00 54.97 55.31 1apq s GLU 64 Cb -0.15 0.11 -0.01 0.00 -1.78 0.00 0.00 34.13 32.29 1apq s GLU 64 CO 0.53 -0.06 1.20 -1.17 -0.49 0.00 0.00 175.26 175.27 1apq s LEU 65 N 0.35 4.19 1.00 1.80 2.96 -1.26 -1.03 118.68 126.70 1apq s LEU 65 Ca -0.02 1.66 -0.14 0.00 -0.22 0.00 0.00 54.13 55.41 1apq s LEU 65 Cb -0.03 -3.54 0.19 0.00 0.50 0.00 0.00 46.19 43.30 1apq s LEU 65 CO -0.01 -0.69 1.13 -1.10 -1.32 0.00 0.00 176.35 174.36 1apq s GLN 66 N 3.06 0.39 0.57 1.98 -1.52 0.35 -4.86 119.66 119.64 1apq s GLN 66 Ca 0.53 0.26 0.29 0.00 -1.95 0.00 0.00 55.36 54.48 1apq s GLN 66 Cb -0.21 -1.76 1.48 0.00 -0.22 0.00 0.00 33.01 32.30 1apq s GLN 66 CO 0.15 -2.70 1.92 1.05 -0.25 0.00 0.00 175.29 175.46 1apq h GLU 67 N -1.86 0.00 0.00 2.91 9.09 -1.95 0.11 114.58 122.88 1apq h GLU 67 Ca -0.51 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.90 1apq h GLU 67 Cb 1.32 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.42 1apq h GLU 67 CO 0.54 0.00 0.00 0.38 0.05 0.00 0.00 179.01 179.98 1apq h ASP 68 N 0.00 0.00 -5.85 3.06 2.03 -1.91 -3.47 116.42 110.29 1apq h ASP 68 Ca 0.25 0.00 -0.38 0.00 -0.73 0.00 0.00 57.03 56.17 1apq h ASP 68 Cb 1.20 0.00 0.12 0.00 -0.83 0.00 0.00 39.33 39.82 1apq h ASP 68 CO -0.00 0.00 -0.75 0.54 -1.03 0.00 0.00 179.24 178.00 1apq n ARG 69 N -2.87 -6.69 0.00 4.15 1.74 0.40 -4.77 116.66 108.62 1apq n ARG 69 Ca -0.00 0.78 0.00 0.00 -0.77 0.00 0.00 57.85 57.86 1apq n ARG 69 Cb 0.20 -5.73 0.00 0.00 -1.02 0.00 0.00 32.46 25.91 1apq n ARG 69 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1apq n HIS 70 N -4.49 0.00 -3.38 -1.55 8.25 -1.26 -4.75 115.22 108.04 1apq n HIS 70 Ca -0.16 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 56.91 1apq n HIS 70 Cb 0.62 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.67 1apq n HIS 70 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1apq s SER 71 N -1.13 6.94 -0.12 0.41 0.15 -1.26 -0.59 113.70 118.10 1apq s SER 71 Ca 0.00 1.12 0.00 0.00 0.70 0.00 0.00 55.95 57.77 1apq s SER 71 Cb 0.00 -2.31 -0.02 0.00 -1.71 0.00 0.00 66.02 61.98 1apq s SER 71 CO 0.00 0.29 -0.12 0.00 1.20 0.00 0.00 173.24 174.62 1apq s GLN 73 N 0.09 1.71 -0.29 0.00 -1.52 -0.19 -4.87 119.66 114.57 1apq s GLN 73 Ca -0.05 -1.93 -0.05 0.00 -1.95 0.00 0.00 55.36 51.39 1apq s GLN 73 Cb -0.14 -1.19 -0.06 0.00 -0.22 0.00 0.00 33.01 31.40 1apq s GLN 73 CO 0.04 -0.07 3.08 0.00 -0.25 0.00 0.00 175.29 178.10 1apq n ALA 74 N -0.73 6.43 0.00 6.09 0.00 -1.26 -0.13 120.51 130.91 1apq n ALA 74 Ca -0.04 -2.62 0.00 0.00 0.00 0.00 0.00 53.44 50.78 1apq n ALA 74 Cb 0.66 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.89 1apq n ALA 74 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59