#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1apq n VAL 24 N 0.00 3.43 -3.50 0.00 0.31 -1.26 -4.73 118.33 112.58 1apq n VAL 24 Ca 0.00 -2.68 -0.08 0.00 -0.01 0.00 0.00 64.34 61.56 1apq n VAL 24 Cb 0.00 -2.56 -0.02 0.00 -0.91 0.00 0.00 33.84 30.35 1apq n VAL 24 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 1apq s ASP 25 N 3.17 -0.37 0.75 4.52 -4.77 -1.26 -4.96 116.67 113.75 1apq s ASP 25 Ca 0.53 -0.00 -0.14 0.00 -3.30 0.00 0.00 52.55 49.64 1apq s ASP 25 Cb 0.15 0.39 0.05 0.00 -1.09 0.00 0.00 42.92 42.42 1apq s ASP 25 CO -0.06 -0.63 1.16 -0.76 0.70 0.00 0.00 175.17 175.58 1apq s LEU 26 N -2.49 3.22 -1.47 2.11 1.02 -1.26 -4.87 118.68 114.93 1apq s LEU 26 Ca 0.05 2.18 -0.09 0.00 0.02 0.00 0.00 54.13 56.28 1apq s LEU 26 Cb -0.01 -4.57 -0.10 0.00 0.02 0.00 0.00 46.19 41.53 1apq s LEU 26 CO -0.09 -2.23 2.96 -0.90 0.02 0.00 0.00 176.35 176.11 1apq n ASP 27 N -3.01 8.30 -0.29 2.29 5.75 -1.26 -4.77 116.55 123.56 1apq n ASP 27 Ca 0.12 -2.55 -0.05 0.00 -0.01 0.00 0.00 54.79 52.30 1apq n ASP 27 Cb 0.51 -1.52 -0.03 0.00 -1.03 0.00 0.00 41.12 39.05 1apq n ASP 27 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 1apq n GLU 28 N 3.54 -0.25 -0.22 0.11 2.13 -1.26 0.12 120.64 124.80 1apq n GLU 28 Ca 0.74 1.07 0.01 0.00 0.66 0.00 0.00 57.16 59.64 1apq n GLU 28 Cb 0.27 -1.58 0.12 0.00 0.27 0.00 0.00 31.44 30.52 1apq n GLU 28 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1apq h ALA 30 N 1.42 0.22 -0.51 0.00 0.00 -0.65 0.16 119.26 119.90 1apq h ALA 30 Ca 0.33 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 55.16 1apq h ALA 30 Cb 0.36 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.02 1apq h ALA 30 CO -0.28 -0.11 0.10 0.77 0.00 0.00 0.00 179.25 179.73 1apq h SER 31 N 0.06 -0.00 -0.14 0.00 0.02 -0.24 -2.26 113.55 110.98 1apq h SER 31 Ca 0.05 0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 61.05 1apq h SER 31 Cb 0.31 0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.97 1apq h SER 31 CO 0.00 0.02 -0.08 0.03 -1.14 0.00 0.00 176.83 175.67 1apq h ARG 32 N 0.24 0.31 -2.19 3.45 3.08 -0.71 -3.23 114.38 115.32 1apq h ARG 32 Ca 0.26 -0.14 -0.25 0.00 0.07 0.00 0.00 59.98 59.92 1apq h ARG 32 Cb 0.35 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.34 1apq h ARG 32 CO -0.34 0.64 0.24 0.43 -1.07 0.00 0.00 179.97 179.87 1apq n SER 33 N -4.64 5.48 -4.70 7.04 7.64 0.56 -4.91 113.62 120.09 1apq n SER 33 Ca -0.06 -2.45 -0.44 0.00 1.01 0.00 0.00 58.87 56.94 1apq n SER 33 Cb 0.30 -1.38 -0.02 0.00 -1.01 0.00 0.00 64.21 62.11 1apq n SER 33 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1apq n LYS 34 N 2.68 2.28 -1.74 1.43 2.85 -1.13 -4.85 118.16 119.69 1apq n LYS 34 Ca 0.46 0.81 -0.01 0.00 -1.05 0.00 0.00 58.31 58.52 1apq n LYS 34 Cb 0.78 -2.51 0.00 0.00 -0.65 0.00 0.00 35.03 32.66 1apq n LYS 34 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1apq n SER 35 N 2.09 -0.34 0.00 -5.58 2.88 -1.26 -4.53 113.62 106.88 1apq n SER 35 Ca 0.10 -1.20 0.00 0.00 -1.33 0.00 0.00 58.87 56.44 1apq n SER 35 Cb 0.34 0.56 0.00 0.00 -0.75 0.00 0.00 64.21 64.36 1apq n SER 35 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1apq n GLY 36 N -0.12 -1.35 2.75 0.46 0.00 -1.26 -4.89 105.19 100.78 1apq n GLY 36 Ca -0.01 0.41 -0.03 0.00 0.00 0.00 0.00 46.02 46.39 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 0.00 1.75 -4.41 1.61 4.71 -1.26 -5.11 120.64 117.93 1apq n GLU 37 Ca 0.00 -3.51 -0.20 0.00 -0.01 0.00 0.00 57.16 53.43 1apq n GLU 37 Cb 0.00 -1.59 -0.10 0.00 -1.01 0.00 0.00 31.44 28.74 1apq n GLU 37 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 1apq s GLU 38 N -3.67 1.53 -0.69 3.49 2.02 -1.26 -5.11 118.70 115.01 1apq s GLU 38 Ca 0.29 -1.79 0.05 0.00 0.02 0.00 0.00 54.97 53.54 1apq s GLU 38 Cb 0.35 -0.99 0.17 0.00 0.10 0.00 0.00 34.13 33.77 1apq s GLU 38 CO -0.02 -0.04 0.48 0.34 0.02 0.00 0.00 175.26 176.04 1apq s ASP 39 N -3.42 4.63 1.06 -0.19 2.15 -1.26 -4.90 116.67 114.74 1apq s ASP 39 Ca 0.31 -3.81 -0.18 0.00 0.43 0.00 0.00 52.55 49.30 1apq s ASP 39 Cb 0.05 -1.57 0.24 0.00 -0.30 0.00 0.00 42.92 41.35 1apq s ASP 39 CO 0.12 -0.09 1.25 -2.16 -0.17 0.00 0.00 175.17 174.12 1apq s PRO 40 N -1.36 -0.16 -0.17 4.34 0.04 -1.26 -4.93 135.00 131.49 1apq s PRO 40 Ca 0.25 -0.32 -0.37 0.00 0.04 0.00 0.00 61.00 60.61 1apq s PRO 40 Cb -0.04 -1.74 -0.13 0.00 0.04 0.00 0.00 34.50 32.62 1apq s PRO 40 CO -0.17 -2.97 1.82 0.00 0.04 0.00 0.00 177.00 175.73 1apq n GLN 41 N -4.18 1.74 -1.47 4.56 0.00 -1.26 -4.83 117.38 111.94 1apq n GLN 41 Ca 0.15 0.64 -0.40 0.00 0.00 0.00 0.00 57.00 57.39 1apq n GLN 41 Cb 0.59 -2.41 -0.02 0.00 0.00 0.00 0.00 30.24 28.40 1apq n GLN 41 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 1apq n PRO 42 N 6.05 2.77 -0.37 2.61 -0.04 -1.26 -4.78 135.00 139.98 1apq n PRO 42 Ca 0.24 -2.30 0.00 0.00 -0.04 0.00 0.00 63.50 61.40 1apq n PRO 42 Cb 0.22 -3.06 0.00 0.00 -0.04 0.00 0.00 33.50 30.63 1apq n PRO 42 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1apq n GLN 43 N 5.54 0.76 -3.65 0.54 10.64 -1.26 -4.60 117.38 125.35 1apq n GLN 43 Ca 0.57 0.00 -0.01 0.00 -1.83 0.00 0.00 57.00 55.73 1apq n GLN 43 Cb 0.34 -1.12 -0.07 0.00 -0.86 0.00 0.00 30.24 28.53 1apq n GLN 43 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1apq h GLN 45 N 4.10 -0.42 0.00 0.00 4.15 -1.47 -3.45 115.11 118.02 1apq h GLN 45 Ca -0.27 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.18 1apq h GLN 45 Cb 1.18 0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.96 1apq h GLN 45 CO 0.20 -0.09 0.00 0.72 -1.93 0.00 0.00 178.83 177.73 1apq n HIS 46 N -5.13 0.00 -4.15 3.99 8.25 -1.26 -5.01 115.22 111.90 1apq n HIS 46 Ca -0.09 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.21 1apq n HIS 46 Cb 0.27 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.25 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 0.00 2.11 0.57 2.41 0.05 -0.91 -5.03 118.68 117.88 1apq s LEU 47 Ca 0.00 -0.28 -0.04 0.00 0.05 0.00 0.00 54.13 53.86 1apq s LEU 47 Cb 0.00 -0.27 0.01 0.00 -2.05 0.00 0.00 46.19 43.88 1apq s LEU 47 CO 0.00 -0.03 0.86 0.00 -0.55 0.00 0.00 176.35 176.64 1apq s HIS 49 N -2.92 0.42 0.04 0.00 3.76 0.10 -4.77 115.29 111.92 1apq s HIS 49 Ca 0.54 -0.84 0.01 0.00 -0.15 0.00 0.00 55.06 54.62 1apq s HIS 49 Cb -0.10 -0.20 -0.03 0.00 1.11 0.00 0.00 32.58 33.36 1apq s HIS 49 CO 0.43 -0.56 -0.06 -0.80 -0.85 0.00 0.00 174.74 172.90 1apq s ASN 50 N -2.94 0.66 0.03 1.40 0.01 -1.26 -1.56 114.94 111.28 1apq s ASN 50 Ca 0.12 -0.61 -0.12 0.00 -0.71 0.00 0.00 52.86 51.55 1apq s ASN 50 Cb 0.05 0.07 0.04 0.00 0.41 0.00 0.00 41.25 41.83 1apq s ASN 50 CO -0.05 -0.29 0.54 0.00 -1.51 0.00 0.00 177.10 175.78 1apq n TYR 51 N 1.26 -0.57 -2.08 2.20 4.11 -0.13 0.35 117.16 122.29 1apq n TYR 51 Ca -0.21 -0.45 -0.42 0.00 -0.00 0.00 0.00 57.90 56.82 1apq n TYR 51 Cb 0.56 0.21 -0.03 0.00 -0.00 0.00 0.00 39.34 40.08 1apq n TYR 51 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 1apq s VAL 52 N -2.20 2.97 0.00 -3.48 1.01 -1.26 -0.59 120.40 116.84 1apq s VAL 52 Ca 0.12 0.74 0.00 0.00 0.00 0.00 0.00 61.98 62.84 1apq s VAL 52 Cb -0.01 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.90 1apq s VAL 52 CO 0.01 0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.80 1apq n GLY 53 N 3.09 1.31 0.00 4.51 0.00 -1.26 -4.90 105.19 107.93 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 -1.70 1.34 3.17 -0.02 0.00 0.24 -5.01 105.19 103.21 1apq n GLY 54 Ca 0.00 -0.82 -0.08 0.00 0.00 0.00 0.00 46.02 45.11 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 0.37 0.28 1.61 -0.85 -1.26 -0.96 117.35 116.54 1apq s TYR 55 Ca 0.00 -0.84 -0.12 0.00 -0.52 0.00 0.00 57.07 55.59 1apq s TYR 55 Cb 0.00 -0.22 0.00 0.00 0.38 0.00 0.00 41.96 42.13 1apq s TYR 55 CO 0.00 -0.50 0.53 -0.59 -1.52 0.00 0.00 175.55 173.47 1apq s PHE 56 N -3.91 0.41 0.41 -3.49 -0.71 -0.60 -4.97 117.98 105.12 1apq s PHE 56 Ca 0.09 -0.79 0.07 0.00 -1.04 0.00 0.00 56.93 55.26 1apq s PHE 56 Cb 0.06 0.25 -0.06 0.00 -1.21 0.00 0.00 43.02 42.06 1apq s PHE 56 CO -0.08 -1.09 0.12 0.00 -1.34 0.00 0.00 175.22 172.83 1apq n SER 58 N -1.15 -0.09 -4.38 0.00 2.88 0.54 -4.85 113.62 106.58 1apq n SER 58 Ca -0.02 -3.04 -0.19 0.00 -1.33 0.00 0.00 58.87 54.28 1apq n SER 58 Cb 0.65 1.38 -0.10 0.00 -0.75 0.00 0.00 64.21 65.39 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 -3.81 2.42 0.81 0.00 1.81 -1.26 -4.93 118.95 113.98 1apq s ARG 60 Ca 0.29 1.46 -0.15 0.00 -1.72 0.00 0.00 55.73 55.61 1apq s ARG 60 Cb 0.05 -1.90 0.00 0.00 -0.45 0.00 0.00 34.95 32.65 1apq s ARG 60 CO 0.10 -1.56 0.59 -0.35 -0.68 0.00 0.00 175.30 173.40 1apq n PRO 61 N -2.80 0.11 0.00 3.54 -0.04 -1.26 -2.75 135.00 131.80 1apq n PRO 61 Ca 0.11 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 1apq n PRO 61 Cb 0.52 -1.93 0.00 0.00 -0.04 0.00 0.00 33.50 32.05 1apq n PRO 61 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1apq n GLY 62 N 1.45 1.82 3.77 0.55 0.00 -1.26 -4.97 105.19 106.55 1apq n GLY 62 Ca 0.09 -0.17 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 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 2.85 -0.13 1.61 1.51 -1.11 -4.53 117.35 117.55 1apq s TYR 63 Ca 0.00 1.54 -0.02 0.00 -1.01 0.00 0.00 57.07 57.58 1apq s TYR 63 Cb 0.00 -3.33 -0.03 0.00 -0.11 0.00 0.00 41.96 38.49 1apq s TYR 63 CO 0.00 -1.46 -0.04 -2.00 -1.11 0.00 0.00 175.55 170.94 1apq s GLU 64 N -2.85 3.40 -0.10 -0.62 2.12 0.83 -4.79 118.70 116.69 1apq s GLU 64 Ca 0.66 -0.52 -0.29 0.00 0.36 0.00 0.00 54.97 55.18 1apq s GLU 64 Cb -0.27 -2.82 -0.01 0.00 0.26 0.00 0.00 34.13 31.29 1apq s GLU 64 CO 0.32 0.38 0.97 -1.17 -0.54 0.00 0.00 175.26 175.22 1apq s LEU 65 N -0.02 4.25 0.65 2.70 1.98 -1.26 -0.94 118.68 126.04 1apq s LEU 65 Ca 0.01 1.49 -0.03 0.00 -2.89 0.00 0.00 54.13 52.71 1apq s LEU 65 Cb -0.13 -3.50 0.05 0.00 0.66 0.00 0.00 46.19 43.27 1apq s LEU 65 CO 0.03 -0.41 0.92 -1.10 -1.89 0.00 0.00 176.35 173.90 1apq s GLN 66 N 1.87 2.30 0.26 1.98 -1.52 0.02 -4.96 119.66 119.62 1apq s GLN 66 Ca 0.47 -0.49 0.16 0.00 -1.95 0.00 0.00 55.36 53.55 1apq s GLN 66 Cb -0.18 -2.30 0.86 0.00 -0.22 0.00 0.00 33.01 31.17 1apq s GLN 66 CO 0.18 -1.05 1.46 0.39 -0.25 0.00 0.00 175.29 176.02 1apq n GLU 67 N -2.70 0.10 0.14 2.91 -0.58 -1.26 -0.88 120.64 118.37 1apq n GLU 67 Ca 0.08 0.59 0.12 0.00 -0.42 0.00 0.00 57.16 57.53 1apq n GLU 67 Cb 0.60 -1.90 0.52 0.00 -0.57 0.00 0.00 31.44 30.09 1apq n GLU 67 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1apq n ASP 68 N -2.06 0.70 0.00 1.62 8.00 -1.26 -4.88 116.55 118.66 1apq n ASP 68 Ca -0.01 0.69 0.00 0.00 0.71 0.00 0.00 54.79 56.18 1apq n ASP 68 Cb 0.09 -0.83 0.00 0.00 -0.02 0.00 0.00 41.12 40.36 1apq n ASP 68 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1apq n ARG 69 N -2.29 0.00 -0.07 -1.24 1.74 -0.06 -4.41 116.66 110.33 1apq n ARG 69 Ca 0.02 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.04 1apq n ARG 69 Cb 0.21 -0.42 -0.13 0.00 -1.02 0.00 0.00 32.46 31.10 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 0.00 0.00 -3.20 -1.55 8.25 -1.26 -0.87 115.22 116.59 1apq n HIS 70 Ca 0.00 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.07 1apq n HIS 70 Cb 0.00 -0.75 -0.06 0.00 1.12 0.00 0.00 29.99 30.31 1apq n HIS 70 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1apq s SER 71 N -4.86 7.00 0.18 0.41 0.01 -1.26 -1.35 113.70 113.83 1apq s SER 71 Ca -0.08 1.19 0.08 0.00 1.31 0.00 0.00 55.95 58.45 1apq s SER 71 Cb 0.06 -2.37 -0.04 0.00 0.21 0.00 0.00 66.02 63.87 1apq s SER 71 CO 0.67 0.12 -0.03 0.00 0.41 0.00 0.00 173.24 174.40 1apq s GLN 73 N -2.95 0.97 -1.39 0.00 -0.21 -0.11 -4.92 119.66 111.04 1apq s GLN 73 Ca 0.27 -1.20 -0.10 0.00 0.02 0.00 0.00 55.36 54.35 1apq s GLN 73 Cb -0.09 0.32 0.09 0.00 1.00 0.00 0.00 33.01 34.33 1apq s GLN 73 CO 0.18 -0.31 2.21 0.00 -2.12 0.00 0.00 175.29 175.24 1apq n ALA 74 N -0.11 5.95 0.00 6.09 0.00 -1.26 -0.12 120.51 131.06 1apq n ALA 74 Ca -0.09 -4.05 0.00 0.00 0.00 0.00 0.00 53.44 49.30 1apq n ALA 74 Cb 0.63 -3.17 0.00 0.00 0.00 0.00 0.00 19.45 16.91 1apq n ALA 74 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89