#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 1.41 -3.52 0.00 2.07 -1.93 -3.44 116.25 110.84 1apq h VAL 24 Ca 0.00 -1.82 -0.42 0.00 0.82 0.00 0.00 66.70 65.29 1apq h VAL 24 Cb 0.00 2.34 0.19 0.00 -1.52 0.00 0.00 31.29 32.30 1apq h VAL 24 CO 0.00 0.53 0.13 1.51 0.02 0.00 0.00 177.57 179.75 1apq s ASP 25 N -6.53 1.03 0.65 0.57 -4.77 -1.26 -4.98 116.67 101.38 1apq s ASP 25 Ca -0.14 0.73 -0.17 0.00 -3.30 0.00 0.00 52.55 49.67 1apq s ASP 25 Cb 0.04 -1.04 -0.05 0.00 -1.09 0.00 0.00 42.92 40.78 1apq s ASP 25 CO 0.80 -4.07 0.66 0.00 0.70 0.00 0.00 175.17 173.26 1apq n LEU 26 N -4.74 1.69 -4.57 2.11 -0.00 -1.26 -4.77 117.00 105.46 1apq n LEU 26 Ca 0.12 0.69 -0.31 0.00 -0.00 0.00 0.00 56.01 56.50 1apq n LEU 26 Cb 0.59 -1.26 -0.05 0.00 -0.00 0.00 0.00 43.42 42.71 1apq n LEU 26 CO 0.47 -2.73 1.50 -1.81 -0.00 0.00 0.00 177.39 174.82 1apq s ASP 27 N -1.35 5.47 0.43 1.45 1.01 -1.26 -2.18 116.67 120.23 1apq s ASP 27 Ca 0.70 -1.39 0.31 0.00 0.71 0.00 0.00 52.55 52.88 1apq s ASP 27 Cb -0.39 -2.58 1.45 0.00 1.01 0.00 0.00 42.92 42.41 1apq s ASP 27 CO 0.54 -2.54 1.52 -0.62 0.21 0.00 0.00 175.17 174.28 1apq n GLU 28 N 8.57 -0.04 -0.31 8.23 4.71 -1.26 -0.47 120.64 140.08 1apq n GLU 28 Ca 0.42 1.22 0.09 0.00 -0.01 0.00 0.00 57.16 58.89 1apq n GLU 28 Cb 0.47 -2.40 0.31 0.00 -1.01 0.00 0.00 31.44 28.81 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 1.57 0.02 0.00 0.00 0.00 -1.18 -3.23 119.26 116.44 1apq h ALA 30 Ca 0.46 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1apq h ALA 30 Cb 0.57 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1apq h ALA 30 CO -0.22 -0.26 -0.09 0.66 0.00 0.00 0.00 179.25 179.34 1apq h SER 31 N -0.38 0.00 -5.50 0.00 4.64 -1.60 -3.47 113.55 107.24 1apq h SER 31 Ca 0.00 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.91 1apq h SER 31 Cb 0.43 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 62.60 1apq h SER 31 CO 0.00 0.09 -0.67 0.54 -0.87 0.00 0.00 176.83 175.92 1apq n ARG 32 N -3.14 -6.42 -4.01 4.77 3.00 0.17 -4.99 116.66 106.05 1apq n ARG 32 Ca 0.03 0.79 -0.29 0.00 -0.01 0.00 0.00 57.85 58.37 1apq n ARG 32 Cb 0.51 -5.75 -0.05 0.00 0.00 0.00 0.00 32.46 27.16 1apq n ARG 32 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1apq s SER 33 N -3.10 5.85 -0.54 0.55 1.04 -1.15 -4.74 113.70 111.61 1apq s SER 33 Ca 0.51 0.07 -0.27 0.00 0.48 0.00 0.00 55.95 56.73 1apq s SER 33 Cb -0.23 -1.66 -0.01 0.00 0.10 0.00 0.00 66.02 64.22 1apq s SER 33 CO 0.63 0.14 1.67 -0.54 0.98 0.00 0.00 173.24 176.11 1apq s LYS 34 N -2.65 3.04 0.00 4.02 -0.14 -1.26 -4.62 119.74 118.12 1apq s LYS 34 Ca 0.32 0.70 0.00 0.00 -1.36 0.00 0.00 55.97 55.62 1apq s LYS 34 Cb -0.12 -4.24 0.00 0.00 -1.68 0.00 0.00 37.83 31.79 1apq s LYS 34 CO 0.25 -2.24 0.00 0.43 -0.76 0.00 0.00 175.35 173.02 1apq n SER 35 N 10.97 0.00 -4.65 2.83 7.64 -1.26 -5.03 113.62 124.12 1apq n SER 35 Ca 0.17 0.00 -0.47 0.00 1.01 0.00 0.00 58.87 59.59 1apq n SER 35 Cb 0.50 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.66 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 0.00 1.46 0.30 0.23 0.00 -1.09 -4.84 105.19 101.24 1apq n GLY 36 Ca 0.00 0.85 0.04 0.00 0.00 0.00 0.00 46.02 46.91 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 7.18 -0.10 -2.59 1.61 4.71 -0.35 -0.73 120.64 130.38 1apq n GLU 37 Ca 0.24 1.27 -0.16 0.00 -0.01 0.00 0.00 57.16 58.50 1apq n GLU 37 Cb 0.33 -1.89 0.02 0.00 -1.01 0.00 0.00 31.44 28.89 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 -5.30 2.07 -3.06 3.49 4.71 -0.03 -4.97 120.64 117.54 1apq n GLU 38 Ca 0.12 -3.75 0.02 0.00 -0.01 0.00 0.00 57.16 53.54 1apq n GLU 38 Cb 0.39 -1.65 -0.00 0.00 -1.01 0.00 0.00 31.44 29.17 1apq n GLU 38 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1apq s ASP 39 N -3.31 -1.08 -1.24 1.62 2.15 0.09 -4.77 116.67 110.14 1apq s ASP 39 Ca 0.35 -0.39 -0.13 0.00 0.43 0.00 0.00 52.55 52.81 1apq s ASP 39 Cb 0.43 1.44 -0.05 0.00 -0.30 0.00 0.00 42.92 44.44 1apq s ASP 39 CO -0.05 -0.14 2.31 -0.81 -0.17 0.00 0.00 175.17 176.32 1apq n PRO 40 N 4.38 2.61 -1.88 4.34 -0.04 -1.26 -2.68 135.00 140.47 1apq n PRO 40 Ca 0.08 -2.13 -0.42 0.00 -0.04 0.00 0.00 63.50 60.99 1apq n PRO 40 Cb 0.59 -2.94 -0.03 0.00 -0.04 0.00 0.00 33.50 31.08 1apq n PRO 40 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 1apq s GLN 41 N 3.41 4.19 0.84 0.54 1.03 -1.26 -5.00 119.66 123.41 1apq s GLN 41 Ca 0.54 2.41 -0.11 0.00 0.04 0.00 0.00 55.36 58.24 1apq s GLN 41 Cb 0.14 -3.35 0.09 0.00 0.03 0.00 0.00 33.01 29.93 1apq s GLN 41 CO -0.02 -0.70 1.09 -1.25 -2.54 0.00 0.00 175.29 171.87 1apq s PRO 42 N 1.86 1.73 -0.25 9.60 0.04 -1.26 -4.54 135.00 142.17 1apq s PRO 42 Ca 0.73 1.03 -0.29 0.00 0.04 0.00 0.00 61.00 62.52 1apq s PRO 42 Cb -0.43 -1.85 -0.06 0.00 0.04 0.00 0.00 34.50 32.20 1apq s PRO 42 CO 0.32 -1.97 2.24 1.04 0.04 0.00 0.00 177.00 178.67 1apq n GLN 43 N -3.73 1.80 -1.64 4.56 3.00 -1.26 -4.94 117.38 115.18 1apq n GLN 43 Ca 0.08 0.47 -0.33 0.00 -0.01 0.00 0.00 57.00 57.22 1apq n GLN 43 Cb 0.54 -3.17 0.06 0.00 0.00 0.00 0.00 30.24 27.67 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 -2.68 0.00 0.00 0.00 0.00 -1.26 -4.88 117.38 108.56 1apq n GLN 45 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.10 1apq n GLN 45 Cb 0.52 -0.19 0.00 0.00 0.00 0.00 0.00 30.24 30.57 1apq n GLN 45 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1apq n HIS 46 N 0.00 0.00 -4.44 2.61 8.25 -1.26 -5.06 115.22 115.33 1apq n HIS 46 Ca 0.00 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.25 1apq n HIS 46 Cb 0.00 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.01 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 -1.03 2.03 0.35 2.41 -0.00 -1.19 -5.05 118.68 116.21 1apq s LEU 47 Ca 0.00 -1.43 0.04 0.00 -0.00 0.00 0.00 54.13 52.73 1apq s LEU 47 Cb 0.00 -0.25 -0.05 0.00 -0.00 0.00 0.00 46.19 45.89 1apq s LEU 47 CO 0.00 -0.69 0.08 0.00 -0.00 0.00 0.00 176.35 175.73 1apq s HIS 49 N -3.28 0.80 0.39 0.00 3.76 0.81 -4.87 115.29 112.90 1apq s HIS 49 Ca 0.32 -0.29 -0.24 0.00 -0.15 0.00 0.00 55.06 54.70 1apq s HIS 49 Cb 0.07 -0.87 -0.09 0.00 1.11 0.00 0.00 32.58 32.79 1apq s HIS 49 CO 0.15 -0.37 1.04 -0.80 -0.85 0.00 0.00 174.74 173.91 1apq s ASN 50 N 1.93 6.82 0.37 1.40 -0.87 -1.26 -0.72 114.94 122.61 1apq s ASN 50 Ca 0.05 2.02 -0.16 0.00 -1.57 0.00 0.00 52.86 53.20 1apq s ASN 50 Cb -0.13 -2.58 0.06 0.00 -0.02 0.00 0.00 41.25 38.58 1apq s ASN 50 CO -0.06 -0.45 0.80 -0.72 -2.57 0.00 0.00 177.10 174.11 1apq s TYR 51 N -1.66 0.11 0.26 2.20 1.13 -0.05 -4.89 117.35 114.45 1apq s TYR 51 Ca 0.57 -0.78 -0.30 0.00 -1.41 0.00 0.00 57.07 55.15 1apq s TYR 51 Cb -0.22 0.83 -0.13 0.00 -1.10 0.00 0.00 41.96 41.34 1apq s TYR 51 CO 0.27 -1.54 1.35 1.55 -2.51 0.00 0.00 175.55 174.67 1apq n VAL 52 N -0.54 1.21 0.00 -3.49 3.14 -1.26 -1.01 118.33 116.38 1apq n VAL 52 Ca -0.08 -0.30 0.00 0.00 -2.96 0.00 0.00 64.34 61.00 1apq n VAL 52 Cb 0.60 -1.43 0.00 0.00 -1.06 0.00 0.00 33.84 31.95 1apq n VAL 52 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1apq n GLY 53 N 1.83 2.45 0.00 7.55 0.00 -1.26 -4.73 105.19 111.03 1apq n GLY 53 Ca 0.10 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.23 3.26 -0.02 0.00 -0.18 -0.85 105.19 106.17 1apq n GLY 54 Ca 0.00 0.47 -0.09 0.00 0.00 0.00 0.00 46.02 46.40 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 0.09 0.46 1.61 -0.85 -1.26 -0.87 117.35 116.53 1apq s TYR 55 Ca 0.00 -0.48 0.03 0.00 -0.52 0.00 0.00 57.07 56.10 1apq s TYR 55 Cb 0.00 0.03 -0.03 0.00 0.38 0.00 0.00 41.96 42.34 1apq s TYR 55 CO 0.00 -0.62 0.03 -0.59 -1.52 0.00 0.00 175.55 172.85 1apq s PHE 56 N -3.86 2.00 0.20 -3.49 -0.71 0.11 -4.90 117.98 107.32 1apq s PHE 56 Ca 0.06 -0.95 -0.01 0.00 -1.04 0.00 0.00 56.93 54.99 1apq s PHE 56 Cb 0.04 -1.55 -0.04 0.00 -1.21 0.00 0.00 43.02 40.25 1apq s PHE 56 CO -0.10 0.18 0.12 0.00 -1.34 0.00 0.00 175.22 174.08 1apq n SER 58 N -0.28 -1.35 -4.49 0.00 7.64 -1.04 -4.90 113.62 109.20 1apq n SER 58 Ca 0.01 -1.99 -0.23 0.00 1.01 0.00 0.00 58.87 57.67 1apq n SER 58 Cb 0.66 2.27 -0.11 0.00 -1.01 0.00 0.00 64.21 66.02 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 -3.78 2.74 0.67 0.00 0.52 -1.26 -4.93 118.95 112.92 1apq s ARG 60 Ca 0.34 1.30 -0.17 0.00 -0.52 0.00 0.00 55.73 56.68 1apq s ARG 60 Cb 0.07 -1.95 -0.00 0.00 0.52 0.00 0.00 34.95 33.59 1apq s ARG 60 CO 0.15 -1.29 1.18 -2.30 0.02 0.00 0.00 175.30 173.06 1apq n PRO 61 N -2.65 0.86 -0.80 3.54 -0.02 -1.26 -3.05 135.00 131.61 1apq n PRO 61 Ca 0.10 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1apq n PRO 61 Cb 0.52 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 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 0.97 0.58 3.09 -1.23 0.00 -1.26 -5.05 105.19 102.29 1apq n GLY 62 Ca 0.15 -0.18 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.00 0.55 -0.02 1.61 1.51 -1.17 -4.03 117.35 113.80 1apq s TYR 63 Ca 0.00 -0.96 0.02 0.00 -1.01 0.00 0.00 57.07 55.12 1apq s TYR 63 Cb 0.00 -0.38 0.00 0.00 -0.11 0.00 0.00 41.96 41.47 1apq s TYR 63 CO 0.00 -0.31 -0.07 -2.00 -1.11 0.00 0.00 175.55 172.06 1apq s GLU 64 N -3.53 0.69 -0.64 -0.62 2.56 0.25 -4.69 118.70 112.72 1apq s GLU 64 Ca 0.04 -0.23 -0.27 0.00 0.00 0.00 0.00 54.97 54.51 1apq s GLU 64 Cb 0.05 -0.67 0.01 0.00 2.00 0.00 0.00 34.13 35.52 1apq s GLU 64 CO -0.08 0.10 1.50 -1.17 -0.56 0.00 0.00 175.26 175.06 1apq s LEU 65 N 0.10 3.28 0.35 2.70 2.96 -1.26 -2.34 118.68 124.47 1apq s LEU 65 Ca -0.01 0.03 -0.23 0.00 -0.22 0.00 0.00 54.13 53.71 1apq s LEU 65 Cb -0.06 -2.71 -0.10 0.00 0.50 0.00 0.00 46.19 43.82 1apq s LEU 65 CO -0.00 -1.96 0.91 -1.58 -1.32 0.00 0.00 176.35 172.40 1apq s GLN 66 N 6.06 4.38 0.00 1.98 2.00 0.18 -4.14 119.66 130.13 1apq s GLN 66 Ca 0.51 1.16 0.00 0.00 -2.00 0.00 0.00 55.36 55.03 1apq s GLN 66 Cb -0.10 -2.55 0.00 0.00 0.80 0.00 0.00 33.01 31.15 1apq s GLN 66 CO 0.20 0.17 0.00 -1.91 -0.50 0.00 0.00 175.29 173.25 1apq n GLU 67 N 0.07 0.00 0.00 1.67 2.13 -1.26 -3.42 120.64 119.83 1apq n GLU 67 Ca 0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.86 1apq n GLU 67 Cb 0.52 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.23 1apq n GLU 67 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1apq n ASP 68 N 2.14 0.00 -4.18 4.31 2.03 -1.26 -5.03 116.55 114.55 1apq n ASP 68 Ca 0.00 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.89 1apq n ASP 68 Cb 0.00 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1apq n ASP 68 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1apq n ARG 69 N -0.34 2.92 -4.28 -0.67 3.00 -1.22 -4.62 116.66 111.45 1apq n ARG 69 Ca 0.00 -2.90 -0.37 0.00 -0.00 0.00 0.00 57.85 54.58 1apq n ARG 69 Cb 0.00 -3.40 -0.04 0.00 0.00 0.00 0.00 32.46 29.02 1apq n ARG 69 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 1apq n HIS 70 N 7.65 -1.59 -3.55 -0.14 8.25 -1.26 -4.90 115.22 119.69 1apq n HIS 70 Ca 0.50 0.76 -0.27 0.00 -0.26 0.00 0.00 57.72 58.46 1apq n HIS 70 Cb 0.43 -2.77 -0.09 0.00 1.12 0.00 0.00 29.99 28.68 1apq n HIS 70 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1apq n SER 71 N -2.65 2.42 -4.52 0.41 7.64 -1.26 -4.40 113.62 111.26 1apq n SER 71 Ca 0.04 -3.11 -0.43 0.00 1.01 0.00 0.00 58.87 56.37 1apq n SER 71 Cb 0.51 -0.68 -0.01 0.00 -1.01 0.00 0.00 64.21 63.02 1apq n SER 71 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1apq s GLN 73 N 3.07 2.77 -1.10 0.00 -2.07 -0.99 -4.72 119.66 116.63 1apq s GLN 73 Ca 0.46 0.13 -0.20 0.00 -1.82 0.00 0.00 55.36 53.93 1apq s GLN 73 Cb -0.00 -2.16 -0.07 0.00 -1.09 0.00 0.00 33.01 29.69 1apq s GLN 73 CO 0.01 -0.92 1.96 0.00 -1.32 0.00 0.00 175.29 175.02 1apq n ALA 74 N -2.80 3.43 -0.84 2.60 0.00 -1.26 -0.58 120.51 121.06 1apq n ALA 74 Ca 0.06 -3.44 0.00 0.00 0.00 0.00 0.00 53.44 50.06 1apq n ALA 74 Cb 0.58 -3.57 0.00 0.00 0.00 0.00 0.00 19.45 16.45 1apq n ALA 74 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89