#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 -0.53 -1.61 0.00 0.24 0.30 -4.83 118.33 111.90 1apq n VAL 24 Ca 0.00 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.89 1apq n VAL 24 Cb 0.00 -1.17 -0.01 0.00 -1.47 0.00 0.00 33.84 31.19 1apq n VAL 24 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1apq n ASP 25 N -2.01 6.20 -4.79 -1.34 8.00 -0.07 -4.94 116.55 117.60 1apq n ASP 25 Ca -0.02 -2.76 -0.34 0.00 0.71 0.00 0.00 54.79 52.38 1apq n ASP 25 Cb 0.53 -1.59 -0.02 0.00 -0.02 0.00 0.00 41.12 40.02 1apq n ASP 25 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1apq s LEU 26 N 0.98 3.82 -1.16 0.64 1.43 -1.26 -4.35 118.68 118.77 1apq s LEU 26 Ca 0.56 2.01 -0.15 0.00 -1.03 0.00 0.00 54.13 55.52 1apq s LEU 26 Cb 0.16 -4.57 -0.02 0.00 0.03 0.00 0.00 46.19 41.79 1apq s LEU 26 CO -0.07 -0.92 0.77 0.47 0.23 0.00 0.00 176.35 176.83 1apq n ASP 27 N -1.07 -4.66 0.09 2.29 8.00 0.29 -4.91 116.55 116.58 1apq n ASP 27 Ca 0.10 -0.95 -0.13 0.00 0.71 0.00 0.00 54.79 54.52 1apq n ASP 27 Cb 0.52 -3.70 -0.06 0.00 -0.02 0.00 0.00 41.12 37.87 1apq n ASP 27 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1apq h GLU 28 N -1.77 -0.48 0.00 -1.24 4.81 -1.85 -3.40 114.58 110.64 1apq h GLU 28 Ca -0.65 0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 58.56 1apq h GLU 28 Cb 1.35 0.11 -0.05 0.00 0.63 0.00 0.00 28.75 30.79 1apq h GLU 28 CO 0.50 -0.32 -0.10 0.00 -0.73 0.00 0.00 179.01 178.36 1apq s ALA 30 N 0.04 -1.29 -1.42 0.00 0.00 -1.26 -3.84 121.76 113.99 1apq s ALA 30 Ca 0.03 1.02 -0.10 0.00 0.00 0.00 0.00 51.96 52.90 1apq s ALA 30 Cb 0.13 -1.79 -0.07 0.00 0.00 0.00 0.00 23.12 21.40 1apq s ALA 30 CO -0.04 -1.31 2.65 0.43 0.00 0.00 0.00 175.76 177.49 1apq n SER 31 N 5.37 7.14 -4.57 0.00 7.64 -0.80 -0.55 113.62 127.85 1apq n SER 31 Ca -0.03 -2.55 -0.14 0.00 1.01 0.00 0.00 58.87 57.16 1apq n SER 31 Cb 0.50 -1.45 -0.10 0.00 -1.01 0.00 0.00 64.21 62.16 1apq n SER 31 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1apq s ARG 32 N 2.67 1.35 0.00 1.43 0.52 -1.26 -3.21 118.95 120.45 1apq s ARG 32 Ca 0.60 -0.08 0.00 0.00 -0.52 0.00 0.00 55.73 55.73 1apq s ARG 32 Cb 0.16 -4.91 0.00 0.00 0.52 0.00 0.00 34.95 30.72 1apq s ARG 32 CO -0.05 -5.08 0.36 0.43 0.02 0.00 0.00 175.30 170.98 1apq n SER 33 N 19.26 1.02 -3.65 0.23 7.64 -1.26 -4.32 113.62 132.54 1apq n SER 33 Ca 0.44 -0.86 -0.02 0.00 1.01 0.00 0.00 58.87 59.43 1apq n SER 33 Cb 0.45 -0.22 -0.06 0.00 -1.01 0.00 0.00 64.21 63.38 1apq n SER 33 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 1apq s LYS 34 N 0.07 0.06 0.00 1.43 -2.85 -1.26 -4.87 119.74 112.32 1apq s LYS 34 Ca 0.00 0.04 0.00 0.00 -1.00 0.00 0.00 55.97 55.01 1apq s LYS 34 Cb 0.00 0.03 0.00 0.00 -2.06 0.00 0.00 37.83 35.80 1apq s LYS 34 CO 0.00 -0.01 0.00 -1.13 0.10 0.00 0.00 175.35 174.31 1apq n SER 35 N 1.12 0.00 -3.03 0.03 3.41 -1.26 -4.68 113.62 109.20 1apq n SER 35 Ca -0.06 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.44 1apq n SER 35 Cb 0.58 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.58 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 0.00 -0.98 3.58 5.00 0.00 -1.26 -0.53 105.19 111.00 1apq n GLY 36 Ca 0.00 0.48 -0.30 0.00 0.00 0.00 0.00 46.02 46.20 1apq n GLY 36 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1apq s GLU 37 N -4.03 0.04 -0.63 1.61 0.41 -1.26 0.18 118.70 115.02 1apq s GLU 37 Ca 0.34 1.22 -0.23 0.00 -0.41 0.00 0.00 54.97 55.89 1apq s GLU 37 Cb -0.04 -1.64 -0.19 0.00 -1.78 0.00 0.00 34.13 30.47 1apq s GLU 37 CO 0.66 -3.19 1.86 0.39 -0.49 0.00 0.00 175.26 174.50 1apq n GLU 38 N -4.59 1.24 -2.97 1.61 4.71 -1.26 -4.41 120.64 114.98 1apq n GLU 38 Ca 0.08 -1.67 -0.20 0.00 -0.01 0.00 0.00 57.16 55.35 1apq n GLU 38 Cb 0.53 -2.82 -0.02 0.00 -1.01 0.00 0.00 31.44 28.12 1apq n GLU 38 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1apq n ASP 39 N 7.61 2.42 -4.90 1.62 2.03 -1.26 -5.06 116.55 119.02 1apq n ASP 39 Ca 0.49 -3.24 -0.29 0.00 0.52 0.00 0.00 54.79 52.26 1apq n ASP 39 Cb 0.39 -0.57 0.05 0.00 -0.72 0.00 0.00 41.12 40.27 1apq n ASP 39 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1apq s PRO 40 N -2.96 2.76 0.18 -0.67 0.04 -1.26 -4.73 135.00 128.35 1apq s PRO 40 Ca 0.42 0.27 0.00 0.00 0.04 0.00 0.00 61.00 61.73 1apq s PRO 40 Cb 0.35 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.80 1apq s PRO 40 CO -0.09 -1.01 0.00 1.04 0.04 0.00 0.00 177.00 176.98 1apq n GLN 41 N -2.92 -2.34 -1.53 4.56 6.02 -1.26 -4.74 117.38 115.16 1apq n GLN 41 Ca 0.06 1.69 -0.34 0.00 -0.01 0.00 0.00 57.00 58.41 1apq n GLN 41 Cb 0.58 -1.87 -0.09 0.00 1.02 0.00 0.00 30.24 29.88 1apq n GLN 41 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 1apq n PRO 42 N -0.08 0.57 0.23 -1.09 -0.02 -1.26 -4.79 135.00 128.56 1apq n PRO 42 Ca 0.00 -0.11 0.14 0.00 -2.02 0.00 0.00 63.50 61.51 1apq n PRO 42 Cb 0.00 -2.67 0.35 0.00 -0.02 0.00 0.00 33.50 31.16 1apq n PRO 42 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1apq h GLN 43 N 15.73 0.00 -6.44 -0.52 7.50 -1.93 -3.45 115.11 126.00 1apq h GLN 43 Ca -0.13 0.00 -0.54 0.00 0.50 0.00 0.00 58.65 58.48 1apq h GLN 43 Cb 1.24 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.77 1apq h GLN 43 CO 1.25 0.00 0.73 0.00 -1.50 0.00 0.00 178.83 179.31 1apq n GLN 45 N 4.64 -0.33 0.00 0.00 7.27 -0.03 -4.26 117.38 124.68 1apq n GLN 45 Ca 0.12 1.47 0.00 0.00 0.07 0.00 0.00 57.00 58.66 1apq n GLN 45 Cb 0.44 -2.18 0.00 0.00 2.41 0.00 0.00 30.24 30.91 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 -3.94 3.69 8.25 -1.26 -5.08 115.22 111.56 1apq n HIS 46 Ca 0.06 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.42 1apq n HIS 46 Cb 0.32 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.33 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 -4.85 1.94 0.50 2.41 0.05 -1.13 -5.07 118.68 112.52 1apq s LEU 47 Ca 0.00 -0.42 0.07 0.00 0.05 0.00 0.00 54.13 53.83 1apq s LEU 47 Cb 0.00 0.38 0.02 0.00 -2.05 0.00 0.00 46.19 44.54 1apq s LEU 47 CO 0.00 -0.37 0.42 0.00 -0.55 0.00 0.00 176.35 175.85 1apq s HIS 49 N -2.66 -0.41 0.59 0.00 3.76 0.92 -4.84 115.29 112.66 1apq s HIS 49 Ca 0.42 0.88 -0.13 0.00 -0.15 0.00 0.00 55.06 56.08 1apq s HIS 49 Cb -0.02 -0.08 -0.05 0.00 1.11 0.00 0.00 32.58 33.54 1apq s HIS 49 CO 0.25 -0.38 1.02 -0.80 -0.85 0.00 0.00 174.74 173.98 1apq s ASN 50 N 2.41 6.32 0.17 1.40 -0.87 -1.25 -0.71 114.94 122.41 1apq s ASN 50 Ca 0.02 1.47 -0.24 0.00 -1.57 0.00 0.00 52.86 52.54 1apq s ASN 50 Cb -0.12 -2.48 0.07 0.00 -0.02 0.00 0.00 41.25 38.69 1apq s ASN 50 CO -0.09 -0.80 0.97 -0.72 -2.57 0.00 0.00 177.10 173.89 1apq s TYR 51 N -3.02 -0.09 0.28 2.20 1.13 -0.06 -4.88 117.35 112.91 1apq s TYR 51 Ca 0.56 -0.25 -0.30 0.00 -1.41 0.00 0.00 57.07 55.68 1apq s TYR 51 Cb -0.11 0.66 -0.13 0.00 -1.10 0.00 0.00 41.96 41.28 1apq s TYR 51 CO 0.47 -0.87 1.39 1.55 -2.51 0.00 0.00 175.55 175.58 1apq n VAL 52 N -0.51 1.30 0.00 -3.49 3.14 -1.26 -0.88 118.33 116.63 1apq n VAL 52 Ca -0.06 -0.33 0.00 0.00 -2.96 0.00 0.00 64.34 61.00 1apq n VAL 52 Cb 0.60 -1.55 0.00 0.00 -1.06 0.00 0.00 33.84 31.83 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 1.70 3.13 0.00 7.55 0.00 -1.22 -4.80 105.19 111.56 1apq n GLY 53 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.92 -0.51 3.56 -0.02 0.00 -0.06 -4.24 105.19 102.00 1apq n GLY 54 Ca 0.00 0.12 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 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 0.11 0.29 1.61 1.13 -1.26 -0.88 117.35 118.35 1apq s TYR 55 Ca 0.00 -0.48 0.05 0.00 -1.41 0.00 0.00 57.07 55.23 1apq s TYR 55 Cb 0.00 0.30 -0.03 0.00 -1.10 0.00 0.00 41.96 41.12 1apq s TYR 55 CO 0.00 -0.95 0.23 -0.59 -2.51 0.00 0.00 175.55 171.73 1apq s PHE 56 N -3.94 1.58 0.27 -3.49 -0.71 0.12 -4.93 117.98 106.88 1apq s PHE 56 Ca 0.15 -1.58 -0.07 0.00 -1.04 0.00 0.00 56.93 54.39 1apq s PHE 56 Cb -0.01 -0.67 -0.01 0.00 -1.21 0.00 0.00 43.02 41.13 1apq s PHE 56 CO 0.03 -0.80 0.42 0.00 -1.34 0.00 0.00 175.22 173.53 1apq n SER 58 N -0.72 -0.92 -3.86 0.00 2.88 -0.52 -4.92 113.62 105.57 1apq n SER 58 Ca -0.00 -1.64 -0.12 0.00 -1.33 0.00 0.00 58.87 55.78 1apq n SER 58 Cb 0.62 1.53 -0.06 0.00 -0.75 0.00 0.00 64.21 65.55 1apq n SER 58 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1apq n ARG 60 N -0.40 0.45 -0.89 0.00 1.74 -1.26 -4.93 116.66 111.36 1apq n ARG 60 Ca 0.00 0.22 -0.33 0.00 -0.77 0.00 0.00 57.85 56.97 1apq n ARG 60 Cb 0.63 -2.35 0.13 0.00 -1.02 0.00 0.00 32.46 29.85 1apq n ARG 60 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1apq n PRO 61 N -2.43 -0.15 0.00 5.56 -0.04 -1.26 -2.69 135.00 133.99 1apq n PRO 61 Ca 0.13 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1apq n PRO 61 Cb 0.50 -2.12 0.00 0.00 -0.04 0.00 0.00 33.50 31.84 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 0.99 1.73 3.72 0.55 0.00 -1.26 -4.97 105.19 105.95 1apq n GLY 62 Ca 0.10 -0.12 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 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 2.06 -0.25 1.61 1.51 -1.10 -3.75 117.35 117.44 1apq s TYR 63 Ca 0.00 1.57 -0.01 0.00 -1.01 0.00 0.00 57.07 57.62 1apq s TYR 63 Cb 0.00 -3.53 0.07 0.00 -0.11 0.00 0.00 41.96 38.40 1apq s TYR 63 CO 0.00 -2.68 0.03 -1.21 -1.11 0.00 0.00 175.55 170.59 1apq s GLU 64 N -3.76 0.95 0.10 -0.62 2.02 0.04 -4.88 118.70 112.55 1apq s GLU 64 Ca 0.76 -0.83 -0.31 0.00 0.02 0.00 0.00 54.97 54.62 1apq s GLU 64 Cb -0.31 -2.23 -0.10 0.00 0.10 0.00 0.00 34.13 31.59 1apq s GLU 64 CO 0.43 -0.75 1.77 -1.17 0.02 0.00 0.00 175.26 175.56 1apq s LEU 65 N 1.63 4.39 0.00 1.80 2.96 -1.26 -0.62 118.68 127.57 1apq s LEU 65 Ca 0.02 2.65 0.00 0.00 -0.22 0.00 0.00 54.13 56.58 1apq s LEU 65 Cb -0.18 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 42.95 1apq s LEU 65 CO -0.13 -0.96 0.00 0.00 -1.32 0.00 0.00 176.35 173.94 1apq n GLN 66 N 5.69 0.42 -3.41 1.98 1.13 0.11 -4.87 117.38 118.42 1apq n GLN 66 Ca 0.17 0.00 -0.14 0.00 -1.94 0.00 0.00 57.00 55.09 1apq n GLN 66 Cb 0.39 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.74 1apq n GLN 66 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1apq n GLU 67 N 0.00 -1.52 -2.04 -1.09 1.02 -1.26 -0.52 120.64 115.22 1apq n GLU 67 Ca 0.00 1.19 -0.20 0.00 -0.02 0.00 0.00 57.16 58.13 1apq n GLU 67 Cb 0.00 -3.96 -0.04 0.00 -0.02 0.00 0.00 31.44 27.42 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 -1.98 -5.60 -2.62 1.62 8.00 -1.26 -2.66 116.55 112.05 1apq n ASP 68 Ca -0.15 0.22 -0.07 0.00 0.71 0.00 0.00 54.79 55.51 1apq n ASP 68 Cb 0.60 -4.79 0.03 0.00 -0.02 0.00 0.00 41.12 36.94 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 -2.71 -1.29 0.00 -1.24 1.74 -0.93 -4.98 116.66 107.25 1apq n ARG 69 Ca -0.22 0.77 0.00 0.00 -0.77 0.00 0.00 57.85 57.63 1apq n ARG 69 Cb 0.68 -4.37 0.00 0.00 -1.02 0.00 0.00 32.46 27.75 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 -2.27 0.00 -3.69 -1.55 8.25 0.32 -4.75 115.22 111.53 1apq n HIS 70 Ca -0.03 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.04 1apq n HIS 70 Cb 0.55 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.54 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 -1.95 5.44 -0.19 0.41 0.01 -0.08 -0.85 113.70 116.50 1apq s SER 71 Ca 0.00 -0.92 -0.18 0.00 1.31 0.00 0.00 55.95 56.17 1apq s SER 71 Cb 0.00 -1.94 -0.03 0.00 0.21 0.00 0.00 66.02 64.25 1apq s SER 71 CO 0.00 -0.30 0.49 0.00 0.41 0.00 0.00 173.24 173.84 1apq s GLN 73 N 1.46 2.27 -0.22 0.00 -0.21 0.21 -4.76 119.66 118.41 1apq s GLN 73 Ca 0.23 1.09 -0.05 0.00 0.02 0.00 0.00 55.36 56.66 1apq s GLN 73 Cb -0.15 -1.90 -0.02 0.00 1.00 0.00 0.00 33.01 31.94 1apq s GLN 73 CO 0.09 -1.61 -0.01 0.00 -2.12 0.00 0.00 175.29 171.64 1apq s ALA 74 N -2.93 2.94 0.00 6.09 0.00 -1.26 -0.78 121.76 125.81 1apq s ALA 74 Ca 0.61 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 51.47 1apq s ALA 74 Cb -0.17 -1.79 0.00 0.00 0.00 0.00 0.00 23.12 21.17 1apq s ALA 74 CO 0.56 -0.35 0.06 0.39 0.00 0.00 0.00 175.76 176.42