#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 2.88 -3.57 0.00 0.24 -1.25 -4.42 118.33 112.22 1apq n VAL 24 Ca 0.00 -1.63 -0.08 0.00 -2.04 0.00 0.00 64.34 60.59 1apq n VAL 24 Cb 0.00 -2.16 -0.04 0.00 -1.47 0.00 0.00 33.84 30.17 1apq n VAL 24 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1apq s ASP 25 N 2.60 -0.30 0.00 -1.34 1.47 -1.26 -5.19 116.67 112.65 1apq s ASP 25 Ca 0.52 0.22 0.00 0.00 1.18 0.00 0.00 52.55 54.47 1apq s ASP 25 Cb 0.18 0.27 0.00 0.00 -0.34 0.00 0.00 42.92 43.03 1apq s ASP 25 CO -0.03 -0.36 0.00 0.18 0.68 0.00 0.00 175.17 175.65 1apq n LEU 26 N 0.38 0.00 -3.65 2.11 4.77 -1.26 -4.85 117.00 114.50 1apq n LEU 26 Ca -0.07 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.64 1apq n LEU 26 Cb 0.59 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.67 1apq n LEU 26 CO 0.13 0.00 -0.03 -0.90 -1.33 0.00 0.00 177.39 175.26 1apq n ASP 27 N 0.00 -3.50 0.00 -1.43 5.75 0.87 -4.82 116.55 113.42 1apq n ASP 27 Ca 0.00 -0.58 -0.09 0.00 -0.01 0.00 0.00 54.79 54.11 1apq n ASP 27 Cb 0.00 -2.89 -0.07 0.00 -1.03 0.00 0.00 41.12 37.13 1apq n ASP 27 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 1apq h GLU 28 N -1.14 -0.12 -0.92 0.11 4.57 -1.89 -3.40 114.58 111.80 1apq h GLU 28 Ca -0.47 0.01 -0.35 0.00 -1.18 0.00 0.00 59.36 57.37 1apq h GLU 28 Cb 1.31 0.03 -0.32 0.00 -0.16 0.00 0.00 28.75 29.61 1apq h GLU 28 CO 0.60 0.33 -0.94 0.00 -1.18 0.00 0.00 179.01 177.83 1apq n ALA 30 N -0.04 0.00 -0.06 0.00 0.00 -1.26 -4.05 120.51 115.10 1apq n ALA 30 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.42 1apq n ALA 30 Cb 0.77 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.16 1apq n ALA 30 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1apq h SER 31 N 0.00 0.32 0.00 0.00 0.02 -1.65 0.25 113.55 112.49 1apq h SER 31 Ca 0.00 -0.37 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 1apq h SER 31 Cb 0.00 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.45 1apq h SER 31 CO 0.00 0.62 0.00 -1.14 -1.14 0.00 0.00 176.83 175.17 1apq n ARG 32 N -4.67 0.00 0.00 3.45 0.63 -1.25 -4.55 116.66 110.27 1apq n ARG 32 Ca -0.05 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.88 1apq n ARG 32 Cb 0.27 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.18 1apq n ARG 32 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1apq n SER 33 N 1.85 0.00 -4.02 6.15 7.64 -1.26 -4.80 113.62 119.18 1apq n SER 33 Ca 0.00 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.53 1apq n SER 33 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 1apq n SER 33 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1apq n LYS 34 N 0.00 1.09 0.00 1.43 5.02 -1.26 -4.80 118.16 119.64 1apq n LYS 34 Ca 0.00 -1.87 0.00 0.00 -2.02 0.00 0.00 58.31 54.42 1apq n LYS 34 Cb 0.00 -3.23 0.00 0.00 -0.02 0.00 0.00 35.03 31.78 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 11.50 0.00 -0.36 4.39 3.41 -1.26 0.57 113.62 131.87 1apq n SER 35 Ca 0.47 0.50 0.36 0.00 -0.26 0.00 0.00 58.87 59.94 1apq n SER 35 Cb 0.43 0.00 0.74 0.00 -0.26 0.00 0.00 64.21 65.13 1apq n SER 35 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1apq h GLY 36 N 0.00 0.11 -7.32 5.00 0.00 -1.87 0.42 103.07 99.42 1apq h GLY 36 Ca 0.00 -0.02 -0.27 0.00 0.00 0.00 0.00 47.33 47.04 1apq h GLY 36 CO 0.00 -0.02 0.77 -0.54 0.00 0.00 0.00 176.54 176.75 1apq s GLU 37 N -4.98 2.36 -0.68 4.80 8.01 -1.25 -4.75 118.70 122.21 1apq s GLU 37 Ca -0.05 -0.61 -0.20 0.00 0.01 0.00 0.00 54.97 54.12 1apq s GLU 37 Cb 0.24 -5.11 -0.16 0.00 -4.31 0.00 0.00 34.13 24.78 1apq s GLU 37 CO 0.82 -3.86 1.89 0.39 0.01 0.00 0.00 175.26 174.50 1apq n GLU 38 N 8.57 1.38 -3.33 1.61 -0.58 -1.26 0.24 120.64 127.26 1apq n GLU 38 Ca 0.43 -1.65 -0.26 0.00 -0.42 0.00 0.00 57.16 55.26 1apq n GLU 38 Cb 0.46 -2.77 -0.09 0.00 -0.57 0.00 0.00 31.44 28.48 1apq n GLU 38 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1apq n ASP 39 N 7.06 -0.09 -3.78 1.62 5.68 -1.26 -4.94 116.55 120.84 1apq n ASP 39 Ca 0.47 -2.53 -0.41 0.00 -0.50 0.00 0.00 54.79 51.82 1apq n ASP 39 Cb 0.35 -0.59 -0.05 0.00 -1.14 0.00 0.00 41.12 39.69 1apq n ASP 39 CO 0.00 0.00 0.00 -0.81 -1.33 0.00 0.00 177.20 175.06 1apq n PRO 40 N 2.28 1.69 -4.05 0.11 -0.04 -1.26 -4.70 135.00 129.02 1apq n PRO 40 Ca 0.27 -2.03 -0.08 0.00 -0.04 0.00 0.00 63.50 61.62 1apq n PRO 40 Cb 0.49 -3.07 -0.10 0.00 -0.04 0.00 0.00 33.50 30.78 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 5.00 0.56 -0.02 0.54 1.11 -1.26 -5.11 119.66 120.48 1apq s GLN 41 Ca 0.58 -1.06 -0.32 0.00 0.01 0.00 0.00 55.36 54.57 1apq s GLN 41 Cb 0.12 0.20 -0.10 0.00 -1.01 0.00 0.00 33.01 32.22 1apq s GLN 41 CO 0.10 -0.11 1.95 -0.35 0.01 0.00 0.00 175.29 176.90 1apq n PRO 42 N 0.43 2.57 -0.11 2.91 -0.04 -1.26 -4.87 135.00 134.63 1apq n PRO 42 Ca -0.16 0.94 -0.11 0.00 -0.04 0.00 0.00 63.50 64.12 1apq n PRO 42 Cb 0.60 -2.88 -0.03 0.00 -0.04 0.00 0.00 33.50 31.15 1apq n PRO 42 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1apq h GLN 43 N 10.24 0.58 -6.83 0.54 1.08 -1.94 -3.43 115.11 115.36 1apq h GLN 43 Ca -0.49 -0.21 -0.53 0.00 -1.45 0.00 0.00 58.65 55.98 1apq h GLN 43 Cb 1.25 -0.04 0.07 0.00 -0.05 0.00 0.00 27.48 28.71 1apq h GLN 43 CO 0.95 0.75 0.73 0.00 -0.95 0.00 0.00 178.83 180.30 1apq h GLN 45 N 4.07 0.79 0.00 0.00 4.15 -1.62 -3.39 115.11 119.10 1apq h GLN 45 Ca -0.48 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 58.89 1apq h GLN 45 Cb 1.22 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.74 1apq h GLN 45 CO 0.71 0.52 0.00 0.72 -1.93 0.00 0.00 178.83 178.85 1apq n HIS 46 N -4.68 0.00 -3.88 3.99 8.25 -1.26 -5.03 115.22 112.60 1apq n HIS 46 Ca 0.05 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.43 1apq n HIS 46 Cb 0.04 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.07 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 -3.12 1.55 0.34 2.41 0.05 -0.99 -5.05 118.68 113.87 1apq s LEU 47 Ca 0.00 -0.68 0.08 0.00 0.05 0.00 0.00 54.13 53.57 1apq s LEU 47 Cb 0.00 0.93 -0.03 0.00 -2.05 0.00 0.00 46.19 45.04 1apq s LEU 47 CO 0.00 -0.71 0.22 0.00 -0.55 0.00 0.00 176.35 175.32 1apq s HIS 49 N -2.36 2.33 0.59 0.00 3.76 0.13 -4.87 115.29 114.87 1apq s HIS 49 Ca 0.39 -1.31 -0.13 0.00 -0.15 0.00 0.00 55.06 53.86 1apq s HIS 49 Cb -0.04 -1.67 -0.05 0.00 1.11 0.00 0.00 32.58 31.92 1apq s HIS 49 CO 0.25 -0.68 1.02 -0.80 -0.85 0.00 0.00 174.74 173.67 1apq s ASN 50 N 1.35 6.25 0.06 1.40 -0.87 -1.26 -1.01 114.94 120.86 1apq s ASN 50 Ca 0.03 1.53 -0.27 0.00 -1.57 0.00 0.00 52.86 52.58 1apq s ASN 50 Cb -0.13 -2.49 0.09 0.00 -0.02 0.00 0.00 41.25 38.70 1apq s ASN 50 CO -0.10 -0.85 1.18 -0.72 -2.57 0.00 0.00 177.10 174.04 1apq s TYR 51 N -2.91 0.01 0.24 2.20 1.13 -1.25 -4.88 117.35 111.89 1apq s TYR 51 Ca 0.57 -0.23 -0.30 0.00 -1.41 0.00 0.00 57.07 55.71 1apq s TYR 51 Cb -0.11 0.61 -0.09 0.00 -1.10 0.00 0.00 41.96 41.27 1apq s TYR 51 CO 0.45 -0.53 1.00 0.54 -2.51 0.00 0.00 175.55 174.50 1apq s VAL 52 N -2.30 3.91 0.00 -3.49 0.11 -1.26 -3.63 120.40 113.75 1apq s VAL 52 Ca 0.22 1.87 0.00 0.00 -2.93 0.00 0.00 61.98 61.13 1apq s VAL 52 Cb 0.00 -4.19 0.00 0.00 -1.53 0.00 0.00 36.38 30.66 1apq s VAL 52 CO 0.01 0.42 0.00 0.61 -3.33 0.00 0.00 175.10 172.81 1apq n GLY 53 N 1.52 2.26 0.00 6.54 0.00 -1.26 -4.81 105.19 109.44 1apq n GLY 53 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.39 3.62 -0.02 0.00 -1.24 -4.75 105.19 100.41 1apq n GLY 54 Ca 0.00 0.37 -0.03 0.00 0.00 0.00 0.00 46.02 46.36 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 -0.14 -0.02 1.61 -0.85 -1.26 -3.31 117.35 113.38 1apq s TYR 55 Ca 0.00 0.00 0.02 0.00 -0.52 0.00 0.00 57.07 56.58 1apq s TYR 55 Cb 0.00 0.55 0.00 0.00 0.38 0.00 0.00 41.96 42.90 1apq s TYR 55 CO 0.00 -0.41 -0.08 -0.59 -1.52 0.00 0.00 175.55 172.95 1apq s PHE 56 N -2.72 0.79 0.70 -3.49 -0.71 -0.18 -4.97 117.98 107.41 1apq s PHE 56 Ca 0.11 -0.18 -0.08 0.00 -1.04 0.00 0.00 56.93 55.74 1apq s PHE 56 Cb 0.01 -0.56 0.05 0.00 -1.21 0.00 0.00 43.02 41.31 1apq s PHE 56 CO -0.04 -0.07 1.03 0.00 -1.34 0.00 0.00 175.22 174.80 1apq s SER 58 N -4.46 -0.16 0.22 0.00 0.01 -0.38 -4.82 113.70 104.10 1apq s SER 58 Ca 0.59 -0.73 -0.07 0.00 1.31 0.00 0.00 55.95 57.05 1apq s SER 58 Cb -0.11 0.72 -0.02 0.00 0.21 0.00 0.00 66.02 66.82 1apq s SER 58 CO 0.46 -1.36 0.30 0.00 0.41 0.00 0.00 173.24 173.06 1apq n ARG 60 N -0.31 1.20 -1.67 0.00 1.74 -1.26 -4.91 116.66 111.46 1apq n ARG 60 Ca -0.01 0.46 -0.38 0.00 -0.77 0.00 0.00 57.85 57.16 1apq n ARG 60 Cb 0.64 -2.49 0.06 0.00 -1.02 0.00 0.00 32.46 29.64 1apq n ARG 60 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1apq n PRO 61 N -1.61 1.08 -1.00 5.56 -0.02 -1.26 -2.11 135.00 135.64 1apq n PRO 61 Ca 0.15 0.42 -0.00 0.00 -2.02 0.00 0.00 63.50 62.04 1apq n PRO 61 Cb 0.47 -2.33 -0.00 0.00 -0.02 0.00 0.00 33.50 31.62 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 1.10 0.47 3.09 -1.23 0.00 -1.26 -5.03 105.19 102.33 1apq n GLY 62 Ca 0.14 -0.11 -0.19 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.95 1.02 0.02 1.61 1.51 -0.90 -0.89 117.35 117.79 1apq s TYR 63 Ca 0.00 -0.28 0.04 0.00 -1.01 0.00 0.00 57.07 55.82 1apq s TYR 63 Cb 0.00 -0.63 -0.02 0.00 -0.11 0.00 0.00 41.96 41.20 1apq s TYR 63 CO 0.00 -0.00 -0.12 -1.21 -1.11 0.00 0.00 175.55 173.11 1apq s GLU 64 N -0.73 0.82 0.48 -0.62 0.41 0.14 -4.74 118.70 114.46 1apq s GLU 64 Ca 0.02 -0.62 -0.23 0.00 -0.41 0.00 0.00 54.97 53.73 1apq s GLU 64 Cb -0.06 -0.79 -0.07 0.00 -1.78 0.00 0.00 34.13 31.43 1apq s GLU 64 CO 0.00 0.20 1.20 -0.51 -0.49 0.00 0.00 175.26 175.66 1apq s LEU 65 N -0.89 3.98 -0.11 1.80 1.43 -1.26 -1.52 118.68 122.11 1apq s LEU 65 Ca 0.01 2.38 -0.02 0.00 -1.03 0.00 0.00 54.13 55.47 1apq s LEU 65 Cb -0.07 -4.25 -0.03 0.00 0.03 0.00 0.00 46.19 41.87 1apq s LEU 65 CO 0.01 -1.03 -0.04 -1.10 0.23 0.00 0.00 176.35 174.41 1apq s GLN 66 N -2.74 3.22 0.00 1.70 -1.52 0.87 -4.38 119.66 116.81 1apq s GLN 66 Ca 0.65 -0.51 0.00 0.00 -1.95 0.00 0.00 55.36 53.55 1apq s GLN 66 Cb -0.31 -2.78 0.00 0.00 -0.22 0.00 0.00 33.01 29.71 1apq s GLN 66 CO 0.37 0.47 0.00 0.39 -0.25 0.00 0.00 175.29 176.27 1apq n GLU 67 N 2.82 0.00 -0.54 2.91 1.02 -1.26 -3.42 120.64 122.17 1apq n GLU 67 Ca -0.18 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 1apq n GLU 67 Cb 0.53 -2.36 0.00 0.00 -0.02 0.00 0.00 31.44 29.59 1apq n GLU 67 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1apq n ASP 68 N 0.00 0.00 0.01 1.62 8.00 -1.26 -4.89 116.55 120.03 1apq n ASP 68 Ca 0.00 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.39 1apq n ASP 68 Cb 0.00 -0.46 -0.09 0.00 -0.02 0.00 0.00 41.12 40.55 1apq n ASP 68 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 1apq h ARG 69 N 2.03 -0.11 0.00 -1.24 0.11 -1.93 -3.46 114.38 109.78 1apq h ARG 69 Ca 0.00 0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.09 1apq h ARG 69 Cb 0.00 0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.11 1apq h ARG 69 CO 0.00 0.43 0.00 0.72 0.10 0.00 0.00 179.97 181.22 1apq n HIS 70 N -4.83 -1.56 -2.19 4.08 8.25 -1.26 -4.76 115.22 112.95 1apq n HIS 70 Ca -0.08 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.96 1apq n HIS 70 Cb 0.29 0.31 -0.02 0.00 1.12 0.00 0.00 29.99 31.69 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 -1.79 6.67 0.14 0.41 0.01 -1.26 -1.76 113.70 116.12 1apq s SER 71 Ca 0.00 1.82 0.00 0.00 1.31 0.00 0.00 55.95 59.09 1apq s SER 71 Cb 0.00 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.65 1apq s SER 71 CO 0.00 -0.98 0.31 0.00 0.41 0.00 0.00 173.24 172.97 1apq s GLN 73 N -3.01 1.21 -0.23 0.00 -1.52 -0.58 -4.91 119.66 110.64 1apq s GLN 73 Ca 0.36 -1.61 -0.29 0.00 -1.95 0.00 0.00 55.36 51.87 1apq s GLN 73 Cb -0.12 -0.26 0.01 0.00 -0.22 0.00 0.00 33.01 32.42 1apq s GLN 73 CO 0.28 -0.19 1.04 0.00 -0.25 0.00 0.00 175.29 176.18 1apq s ALA 74 N -3.69 3.68 0.00 6.09 0.00 -1.26 -0.68 121.76 125.89 1apq s ALA 74 Ca 0.29 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.44 1apq s ALA 74 Cb 0.07 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1apq s ALA 74 CO 0.07 -1.04 0.00 0.39 0.00 0.00 0.00 175.76 175.19