#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1apq s VAL 24 N 0.00 2.17 -1.06 0.00 0.11 -1.26 -2.70 120.40 117.66 1apq s VAL 24 Ca 0.00 0.06 -0.16 0.00 -2.93 0.00 0.00 61.98 58.94 1apq s VAL 24 Cb 0.00 -2.24 -0.08 0.00 -1.53 0.00 0.00 36.38 32.53 1apq s VAL 24 CO 0.00 -0.07 2.12 -0.67 -3.33 0.00 0.00 175.10 173.15 1apq n ASP 25 N -4.50 3.77 -4.97 3.54 2.03 -1.26 -4.20 116.55 110.96 1apq n ASP 25 Ca 0.06 -2.66 -0.21 0.00 0.52 0.00 0.00 54.79 52.49 1apq n ASP 25 Cb 0.54 -1.30 0.02 0.00 -0.72 0.00 0.00 41.12 39.66 1apq n ASP 25 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 1apq s LEU 26 N 1.22 3.14 -1.26 -2.67 2.34 -1.26 -4.90 118.68 115.28 1apq s LEU 26 Ca 0.53 -0.86 -0.13 0.00 0.06 0.00 0.00 54.13 53.72 1apq s LEU 26 Cb 0.14 -1.75 -0.05 0.00 -0.56 0.00 0.00 46.19 43.96 1apq s LEU 26 CO 0.02 -1.08 2.35 -0.90 -1.06 0.00 0.00 176.35 175.68 1apq n ASP 27 N -1.95 5.15 0.25 1.48 5.75 -1.26 -4.71 116.55 121.26 1apq n ASP 27 Ca 0.08 -2.63 -0.16 0.00 -0.01 0.00 0.00 54.79 52.07 1apq n ASP 27 Cb 0.62 -1.41 -0.08 0.00 -1.03 0.00 0.00 41.12 39.21 1apq n ASP 27 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1apq h GLU 28 N 6.17 -0.78 -0.49 0.11 5.08 -1.92 -0.19 114.58 122.57 1apq h GLU 28 Ca 0.61 0.05 0.04 0.00 -1.00 0.00 0.00 59.36 59.07 1apq h GLU 28 Cb 0.45 0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.84 1apq h GLU 28 CO 1.79 -0.52 0.24 0.00 -1.00 0.00 0.00 179.01 179.52 1apq h ALA 30 N 1.27 -1.09 -0.25 0.00 0.00 -1.90 -2.86 119.26 114.44 1apq h ALA 30 Ca 0.22 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1apq h ALA 30 Cb 0.14 0.78 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1apq h ALA 30 CO -0.16 -1.15 0.10 0.66 0.00 0.00 0.00 179.25 178.70 1apq h SER 31 N -0.89 0.12 0.00 0.00 4.64 -0.85 0.50 113.55 117.08 1apq h SER 31 Ca -0.04 0.02 -0.21 0.00 -0.47 0.00 0.00 61.79 61.09 1apq h SER 31 Cb 0.80 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.84 1apq h SER 31 CO -0.13 0.10 -0.05 0.54 -0.87 0.00 0.00 176.83 176.42 1apq n ARG 32 N -5.02 2.01 0.08 4.77 1.74 0.48 -3.45 116.66 117.27 1apq n ARG 32 Ca -0.02 -1.03 0.00 0.00 -0.77 0.00 0.00 57.85 56.04 1apq n ARG 32 Cb 0.08 -2.03 0.00 0.00 -1.02 0.00 0.00 32.46 29.49 1apq n ARG 32 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1apq n SER 33 N 2.61 -1.42 -4.32 0.55 3.41 -1.11 -3.85 113.62 109.49 1apq n SER 33 Ca 0.43 0.49 -0.26 0.00 -0.26 0.00 0.00 58.87 59.27 1apq n SER 33 Cb 0.82 1.57 -0.10 0.00 -0.26 0.00 0.00 64.21 66.24 1apq n SER 33 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1apq n LYS 34 N -2.83 0.67 0.03 4.33 4.81 0.15 -3.29 118.16 122.03 1apq n LYS 34 Ca 0.00 -1.85 0.00 0.00 -0.87 0.00 0.00 58.31 55.59 1apq n LYS 34 Cb 0.00 -3.57 0.00 0.00 0.02 0.00 0.00 35.03 31.48 1apq n LYS 34 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1apq n SER 35 N 15.51 -0.43 -4.37 3.14 3.41 -1.26 -4.80 113.62 124.82 1apq n SER 35 Ca 0.44 0.10 -0.29 0.00 -0.26 0.00 0.00 58.87 58.86 1apq n SER 35 Cb 0.45 0.78 -0.07 0.00 -0.26 0.00 0.00 64.21 65.11 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 -1.09 0.96 0.32 5.00 0.00 -1.21 -4.80 105.19 104.39 1apq n GLY 36 Ca 0.00 -0.65 0.27 0.00 0.00 0.00 0.00 46.02 45.64 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 8.04 -0.06 -1.90 1.61 0.00 -1.26 -1.49 120.64 125.57 1apq n GLU 37 Ca 0.45 1.40 -0.36 0.00 0.00 0.00 0.00 57.16 58.64 1apq n GLU 37 Cb 0.45 -2.43 -0.04 0.00 0.00 0.00 0.00 31.44 29.43 1apq n GLU 37 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1apq n GLU 38 N -5.31 2.02 -2.05 3.44 2.13 -1.26 -4.16 120.64 115.45 1apq n GLU 38 Ca 0.34 -2.49 -0.03 0.00 0.66 0.00 0.00 57.16 55.64 1apq n GLU 38 Cb 1.13 -3.43 0.00 0.00 0.27 0.00 0.00 31.44 29.41 1apq n GLU 38 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1apq n ASP 39 N 10.60 -4.45 -3.81 4.31 2.03 -1.15 -4.90 116.55 119.18 1apq n ASP 39 Ca 0.48 0.26 -0.42 0.00 0.52 0.00 0.00 54.79 55.62 1apq n ASP 39 Cb 0.44 -2.80 -0.02 0.00 -0.72 0.00 0.00 41.12 38.02 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 -0.35 2.40 -1.62 -0.67 -0.04 -0.55 -4.89 135.00 129.27 1apq n PRO 40 Ca 0.04 -2.41 -0.45 0.00 -0.04 0.00 0.00 63.50 60.64 1apq n PRO 40 Cb 0.17 -3.21 -0.02 0.00 -0.04 0.00 0.00 33.50 30.40 1apq n PRO 40 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1apq n GLN 41 N 6.68 1.60 -1.93 0.54 6.02 -1.26 -4.57 117.38 124.45 1apq n GLN 41 Ca 0.51 0.56 -0.36 0.00 -0.01 0.00 0.00 57.00 57.70 1apq n GLN 41 Cb 0.40 -2.07 0.04 0.00 1.02 0.00 0.00 30.24 29.64 1apq n GLN 41 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1apq s PRO 42 N -1.06 2.86 0.35 -1.09 0.04 -1.26 -4.50 135.00 130.33 1apq s PRO 42 Ca 0.64 1.83 0.06 0.00 0.04 0.00 0.00 61.00 63.56 1apq s PRO 42 Cb -0.70 -1.91 0.73 0.00 0.04 0.00 0.00 34.50 32.66 1apq s PRO 42 CO 0.56 -1.29 1.91 0.37 0.04 0.00 0.00 177.00 178.59 1apq h GLN 43 N 0.73 0.76 -6.13 4.56 4.15 -1.75 -3.39 115.11 114.02 1apq h GLN 43 Ca -0.50 -0.05 -0.69 0.00 0.77 0.00 0.00 58.65 58.19 1apq h GLN 43 Cb 1.30 -0.17 -0.26 0.00 0.21 0.00 0.00 27.48 28.56 1apq h GLN 43 CO 0.54 0.50 -0.80 0.00 -1.93 0.00 0.00 178.83 177.14 1apq n GLN 45 N 2.64 -0.28 0.00 0.00 7.27 0.10 -4.09 117.38 123.03 1apq n GLN 45 Ca -0.17 1.42 0.00 0.00 0.07 0.00 0.00 57.00 58.32 1apq n GLN 45 Cb 0.52 -2.11 0.00 0.00 2.41 0.00 0.00 30.24 31.06 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 -5.31 0.00 -3.72 3.69 8.25 -1.26 -4.87 115.22 112.00 1apq n HIS 46 Ca 0.07 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.41 1apq n HIS 46 Cb 0.33 -0.05 -0.13 0.00 1.12 0.00 0.00 29.99 31.27 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 -3.67 0.30 0.62 2.41 0.05 -1.23 -5.02 118.68 112.14 1apq s LEU 47 Ca 0.00 0.61 0.02 0.00 0.05 0.00 0.00 54.13 54.81 1apq s LEU 47 Cb 0.00 0.88 0.08 0.00 -2.05 0.00 0.00 46.19 45.10 1apq s LEU 47 CO 0.00 -0.17 0.86 0.00 -0.55 0.00 0.00 176.35 176.49 1apq s HIS 49 N -2.90 -0.47 0.09 0.00 3.76 -1.26 -4.75 115.29 109.76 1apq s HIS 49 Ca 0.62 0.80 0.06 0.00 -0.15 0.00 0.00 55.06 56.39 1apq s HIS 49 Cb -0.07 0.29 -0.04 0.00 1.11 0.00 0.00 32.58 33.86 1apq s HIS 49 CO 0.41 -0.52 -0.07 -0.80 -0.85 0.00 0.00 174.74 172.90 1apq s ASN 50 N -1.23 4.56 0.14 1.40 0.01 -1.26 -1.30 114.94 117.25 1apq s ASN 50 Ca -0.12 -0.32 -0.09 0.00 -0.71 0.00 0.00 52.86 51.62 1apq s ASN 50 Cb -0.02 -0.94 0.03 0.00 0.41 0.00 0.00 41.25 40.73 1apq s ASN 50 CO 0.08 0.19 0.45 0.00 -1.51 0.00 0.00 177.10 176.30 1apq n TYR 51 N 0.74 -1.28 -1.84 2.20 4.11 0.04 -4.82 117.16 116.31 1apq n TYR 51 Ca -0.13 -0.75 -0.41 0.00 -0.00 0.00 0.00 57.90 56.61 1apq n TYR 51 Cb 0.52 0.37 -0.01 0.00 -0.00 0.00 0.00 39.34 40.22 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 -2.43 2.17 0.00 -3.48 -7.23 -1.26 -0.41 120.40 107.75 1apq s VAL 52 Ca 0.10 0.15 0.00 0.00 -1.81 0.00 0.00 61.98 60.42 1apq s VAL 52 Cb -0.02 -3.10 0.00 0.00 0.56 0.00 0.00 36.38 33.82 1apq s VAL 52 CO 0.04 0.03 0.00 0.61 -0.31 0.00 0.00 175.10 175.47 1apq n GLY 53 N 1.21 3.03 0.00 2.32 0.00 -1.17 -4.66 105.19 105.93 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 -0.94 0.94 3.27 -0.02 0.00 0.45 0.13 105.19 109.04 1apq n GLY 54 Ca 0.00 -0.23 -0.10 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.10 0.00 1.61 1.13 -1.25 -0.78 117.35 117.96 1apq s TYR 55 Ca 0.00 -0.18 0.00 0.00 -1.41 0.00 0.00 57.07 55.48 1apq s TYR 55 Cb 0.00 0.14 0.00 0.00 -1.10 0.00 0.00 41.96 41.00 1apq s TYR 55 CO 0.00 -0.61 0.00 1.97 -2.51 0.00 0.00 175.55 174.40 1apq n PHE 56 N 0.06 0.00 0.00 -3.49 -1.74 -0.42 -4.83 117.46 107.04 1apq n PHE 56 Ca -0.17 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.72 1apq n PHE 56 Cb 0.62 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.62 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 -0.35 0.00 -3.99 0.00 2.88 -0.08 -4.81 113.62 107.28 1apq n SER 58 Ca 0.00 -0.51 -0.10 0.00 -1.33 0.00 0.00 58.87 56.93 1apq n SER 58 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 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 -4.00 4.20 0.55 0.00 6.06 -1.26 -4.91 118.95 119.59 1apq s ARG 60 Ca 0.21 2.44 -0.19 0.00 -2.50 0.00 0.00 55.73 55.68 1apq s ARG 60 Cb 0.03 -3.02 -0.08 0.00 0.06 0.00 0.00 34.95 31.94 1apq s ARG 60 CO 0.04 -0.43 0.78 -2.30 -2.50 0.00 0.00 175.30 170.88 1apq n PRO 61 N 0.98 0.79 0.00 5.12 -0.02 -1.26 -1.41 135.00 139.20 1apq n PRO 61 Ca 0.02 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 1apq n PRO 61 Cb 0.40 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 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 1.49 2.74 3.86 -1.23 0.00 -1.26 -5.02 105.19 105.78 1apq n GLY 62 Ca 0.12 -0.12 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.71 3.20 0.06 1.61 1.51 -0.50 -4.40 117.35 117.12 1apq s TYR 63 Ca 0.00 -0.08 -0.07 0.00 -1.01 0.00 0.00 57.07 55.91 1apq s TYR 63 Cb 0.00 -1.45 -0.01 0.00 -0.11 0.00 0.00 41.96 40.39 1apq s TYR 63 CO 0.00 0.50 0.14 -1.21 -1.11 0.00 0.00 175.55 173.87 1apq s GLU 64 N -3.83 0.71 0.25 -0.62 0.41 0.34 -4.62 118.70 111.34 1apq s GLU 64 Ca 0.33 -0.86 -0.30 0.00 -0.41 0.00 0.00 54.97 53.73 1apq s GLU 64 Cb -0.08 0.28 -0.09 0.00 -1.78 0.00 0.00 34.13 32.46 1apq s GLU 64 CO 0.26 -0.20 1.33 -0.51 -0.49 0.00 0.00 175.26 175.65 1apq s LEU 65 N -2.50 4.42 0.00 1.80 1.43 -1.26 -0.92 118.68 121.65 1apq s LEU 65 Ca 0.00 2.53 0.03 0.00 -1.03 0.00 0.00 54.13 55.66 1apq s LEU 65 Cb 0.02 -3.62 0.10 0.00 0.03 0.00 0.00 46.19 42.72 1apq s LEU 65 CO -0.08 -0.56 0.73 0.00 0.23 0.00 0.00 176.35 176.67 1apq n GLN 66 N 2.06 0.28 0.20 1.70 1.13 -0.23 -4.91 117.38 117.60 1apq n GLN 66 Ca 0.05 -2.24 0.11 0.00 -1.94 0.00 0.00 57.00 52.98 1apq n GLN 66 Cb 0.42 -0.40 0.61 0.00 0.11 0.00 0.00 30.24 30.98 1apq n GLN 66 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 1apq h GLU 67 N 0.00 0.00 -0.29 -1.09 4.39 -1.96 0.11 114.58 115.74 1apq h GLU 67 Ca -0.24 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.40 1apq h GLU 67 Cb 0.96 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.60 1apq h GLU 67 CO 0.29 0.00 -0.06 -0.44 -1.16 0.00 0.00 179.01 177.64 1apq h ASP 68 N 0.00 0.43 -1.17 1.42 5.19 -1.93 -3.47 116.42 116.90 1apq h ASP 68 Ca 0.00 -0.09 -0.19 0.00 -0.62 0.00 0.00 57.03 56.12 1apq h ASP 68 Cb 0.24 -0.11 -0.03 0.00 0.18 0.00 0.00 39.33 39.61 1apq h ASP 68 CO 0.00 0.55 -0.23 -1.14 -3.12 0.00 0.00 179.24 175.29 1apq n ARG 69 N -4.26 -0.75 0.00 3.56 0.63 0.38 -4.72 116.66 111.50 1apq n ARG 69 Ca 0.01 0.55 0.00 0.00 -0.92 0.00 0.00 57.85 57.49 1apq n ARG 69 Cb 0.27 -4.56 0.00 0.00 0.45 0.00 0.00 32.46 28.62 1apq n ARG 69 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 1apq n HIS 70 N -3.71 -0.68 -2.20 -0.14 8.25 -1.26 -4.91 115.22 110.56 1apq n HIS 70 Ca -0.11 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.92 1apq n HIS 70 Cb 0.53 0.27 -0.02 0.00 1.12 0.00 0.00 29.99 31.88 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 -2.80 6.47 -0.42 0.41 0.01 -1.26 -0.72 113.70 115.38 1apq s SER 71 Ca 0.00 1.50 -0.19 0.00 1.31 0.00 0.00 55.95 58.57 1apq s SER 71 Cb 0.00 -2.53 0.02 0.00 0.21 0.00 0.00 66.02 63.72 1apq s SER 71 CO 0.00 -1.20 0.53 0.00 0.41 0.00 0.00 173.24 172.98 1apq s GLN 73 N 2.45 1.67 -1.49 0.00 -1.52 -0.10 -4.82 119.66 115.85 1apq s GLN 73 Ca 0.17 -1.82 -0.10 0.00 -1.95 0.00 0.00 55.36 51.66 1apq s GLN 73 Cb -0.16 -1.56 0.01 0.00 -0.22 0.00 0.00 33.01 31.08 1apq s GLN 73 CO 0.16 0.19 2.55 0.00 -0.25 0.00 0.00 175.29 177.94 1apq n ALA 74 N -0.65 6.67 -1.38 6.09 0.00 -1.26 -0.50 120.51 129.47 1apq n ALA 74 Ca -0.05 -3.80 0.00 0.00 0.00 0.00 0.00 53.44 49.58 1apq n ALA 74 Cb 0.62 -3.28 0.00 0.00 0.00 0.00 0.00 19.45 16.79 1apq n ALA 74 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89