#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 0.00 -0.67 0.00 0.31 -1.26 -4.91 118.33 111.80 1apq n VAL 24 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.01 1apq n VAL 24 Cb 0.00 0.00 0.18 0.00 -0.91 0.00 0.00 33.84 33.11 1apq n VAL 24 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1apq n ASP 25 N 2.12 -1.89 0.00 4.52 5.75 -1.26 -4.87 116.55 120.92 1apq n ASP 25 Ca 0.00 0.05 0.01 0.00 -0.01 0.00 0.00 54.79 54.84 1apq n ASP 25 Cb 0.00 -1.14 0.04 0.00 -1.03 0.00 0.00 41.12 38.99 1apq n ASP 25 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1apq n LEU 26 N -2.51 0.00 -4.31 -2.12 -0.00 -1.26 -4.25 117.00 102.55 1apq n LEU 26 Ca 0.04 0.50 -0.39 0.00 -0.00 0.00 0.00 56.01 56.16 1apq n LEU 26 Cb 0.57 -0.50 -0.02 0.00 -0.00 0.00 0.00 43.42 43.47 1apq n LEU 26 CO 0.52 -0.46 2.00 -0.67 -0.00 0.00 0.00 177.39 178.78 1apq n ASP 27 N -1.50 3.97 -0.34 1.45 2.03 -1.26 -4.80 116.55 116.11 1apq n ASP 27 Ca 0.01 -2.82 0.09 0.00 0.52 0.00 0.00 54.79 52.59 1apq n ASP 27 Cb 0.02 -1.66 0.20 0.00 -0.72 0.00 0.00 41.12 38.96 1apq n ASP 27 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1apq h GLU 28 N 7.88 0.01 -0.90 -0.67 5.08 -1.90 0.27 114.58 124.35 1apq h GLU 28 Ca 0.41 -0.00 0.24 0.00 -1.00 0.00 0.00 59.36 59.00 1apq h GLU 28 Cb 0.82 -0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.91 1apq h GLU 28 CO 1.54 0.01 0.07 0.00 -1.00 0.00 0.00 179.01 179.63 1apq n ALA 30 N -2.98 3.13 -0.06 0.00 0.00 0.89 -4.14 120.51 117.36 1apq n ALA 30 Ca 0.20 -0.40 -0.04 0.00 0.00 0.00 0.00 53.44 53.21 1apq n ALA 30 Cb 0.67 -1.13 -0.11 0.00 0.00 0.00 0.00 19.45 18.87 1apq n ALA 30 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1apq n SER 31 N -0.75 1.51 -1.95 0.00 7.64 0.40 0.20 113.62 120.68 1apq n SER 31 Ca 0.11 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.89 1apq n SER 31 Cb 0.35 1.02 -0.15 0.00 -1.01 0.00 0.00 64.21 64.41 1apq n SER 31 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1apq n ARG 32 N -2.43 1.86 -1.26 1.43 1.74 0.32 -4.69 116.66 113.64 1apq n ARG 32 Ca -0.19 -0.87 -0.36 0.00 -0.77 0.00 0.00 57.85 55.66 1apq n ARG 32 Cb 0.85 -1.88 -0.04 0.00 -1.02 0.00 0.00 32.46 30.37 1apq n ARG 32 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1apq n SER 33 N 2.39 8.33 -4.02 0.55 7.64 -1.26 -0.88 113.62 126.37 1apq n SER 33 Ca 0.38 -2.55 -0.14 0.00 1.01 0.00 0.00 58.87 57.57 1apq n SER 33 Cb 0.86 -1.53 -0.13 0.00 -1.01 0.00 0.00 64.21 62.41 1apq n SER 33 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1apq s LYS 34 N 2.13 0.47 -0.46 1.43 1.02 -1.26 -5.01 119.74 118.05 1apq s LYS 34 Ca 0.68 -0.52 -0.05 0.00 0.02 0.00 0.00 55.97 56.10 1apq s LYS 34 Cb 0.19 -0.32 -0.13 0.00 -0.52 0.00 0.00 37.83 37.05 1apq s LYS 34 CO -0.05 0.07 2.47 0.43 -0.92 0.00 0.00 175.35 177.34 1apq n SER 35 N 2.07 4.50 0.00 2.83 7.64 -1.26 -4.39 113.62 125.01 1apq n SER 35 Ca -0.19 -2.25 0.00 0.00 1.01 0.00 0.00 58.87 57.44 1apq n SER 35 Cb 0.56 -1.06 0.00 0.00 -1.01 0.00 0.00 64.21 62.70 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 3.12 1.04 3.38 0.23 0.00 -1.26 -4.92 105.19 106.78 1apq n GLY 36 Ca 0.39 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.90 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 0.27 -3.95 1.61 1.02 -1.26 -0.22 120.64 118.11 1apq n GLU 37 Ca 0.00 0.06 -0.28 0.00 -0.02 0.00 0.00 57.16 56.91 1apq n GLU 37 Cb 0.00 -1.81 0.00 0.00 -0.02 0.00 0.00 31.44 29.61 1apq n GLU 37 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1apq n GLU 38 N 8.04 -4.20 -2.75 3.49 -0.58 -1.26 -4.93 120.64 118.45 1apq n GLU 38 Ca 0.55 0.49 -0.05 0.00 -0.42 0.00 0.00 57.16 57.73 1apq n GLU 38 Cb 0.07 -5.04 0.02 0.00 -0.57 0.00 0.00 31.44 25.92 1apq n GLU 38 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1apq n ASP 39 N -2.89 -3.18 -4.74 1.62 2.03 0.69 -5.11 116.55 104.96 1apq n ASP 39 Ca -0.13 -2.85 -0.36 0.00 0.52 0.00 0.00 54.79 51.96 1apq n ASP 39 Cb 0.60 1.69 0.06 0.00 -0.72 0.00 0.00 41.12 42.75 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 0.83 2.69 -1.01 -0.67 0.04 -1.26 -3.42 135.00 132.20 1apq s PRO 40 Ca 0.30 1.92 -0.14 0.00 0.04 0.00 0.00 61.00 63.12 1apq s PRO 40 Cb 0.06 -1.88 -0.00 0.00 0.04 0.00 0.00 34.50 32.72 1apq s PRO 40 CO -0.10 -1.45 0.73 0.94 0.04 0.00 0.00 177.00 177.17 1apq n GLN 41 N -1.87 -1.23 -0.88 4.56 -0.06 -1.26 -4.97 117.38 111.67 1apq n GLN 41 Ca 0.15 0.67 -0.29 0.00 -2.00 0.00 0.00 57.00 55.52 1apq n GLN 41 Cb 0.49 -3.90 0.24 0.00 -4.06 0.00 0.00 30.24 23.00 1apq n GLN 41 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 1apq s PRO 42 N -5.37 -1.08 -0.07 3.69 0.04 -1.22 -4.90 135.00 126.09 1apq s PRO 42 Ca 0.30 0.28 -0.33 0.00 0.04 0.00 0.00 61.00 61.29 1apq s PRO 42 Cb -0.11 -1.58 -0.11 0.00 0.04 0.00 0.00 34.50 32.74 1apq s PRO 42 CO 0.86 -3.69 1.94 0.94 0.04 0.00 0.00 177.00 177.08 1apq n GLN 43 N -4.81 2.34 -1.56 4.56 7.27 -0.06 -4.99 117.38 120.14 1apq n GLN 43 Ca 0.09 0.85 -0.30 0.00 0.07 0.00 0.00 57.00 57.71 1apq n GLN 43 Cb 0.58 -2.77 0.10 0.00 2.41 0.00 0.00 30.24 30.55 1apq n GLN 43 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1apq h GLN 45 N -1.13 1.02 0.00 0.00 4.15 -1.55 -3.42 115.11 114.18 1apq h GLN 45 Ca -0.47 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 58.81 1apq h GLN 45 Cb 1.28 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 28.77 1apq h GLN 45 CO 0.60 0.78 0.00 0.72 -1.93 0.00 0.00 178.83 178.99 1apq n HIS 46 N -4.45 0.00 -4.17 3.99 8.25 -1.26 -5.00 115.22 112.57 1apq n HIS 46 Ca 0.06 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.36 1apq n HIS 46 Cb 0.11 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.16 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 1.31 0.31 2.41 0.05 -1.10 -5.06 118.68 116.60 1apq s LEU 47 Ca 0.00 -1.59 -0.08 0.00 0.05 0.00 0.00 54.13 52.51 1apq s LEU 47 Cb 0.00 1.04 0.00 0.00 -2.05 0.00 0.00 46.19 45.19 1apq s LEU 47 CO 0.00 -1.18 0.50 0.00 -0.55 0.00 0.00 176.35 175.13 1apq s HIS 49 N -3.38 2.40 0.43 0.00 3.76 0.55 -4.91 115.29 114.13 1apq s HIS 49 Ca 0.26 -1.32 -0.17 0.00 -0.15 0.00 0.00 55.06 53.67 1apq s HIS 49 Cb -0.01 -1.70 -0.09 0.00 1.11 0.00 0.00 32.58 31.89 1apq s HIS 49 CO 0.14 -0.68 0.89 -0.80 -0.85 0.00 0.00 174.74 173.45 1apq s ASN 50 N 1.26 6.76 0.05 1.40 0.01 -1.26 -0.86 114.94 122.30 1apq s ASN 50 Ca 0.02 1.50 -0.12 0.00 -0.71 0.00 0.00 52.86 53.55 1apq s ASN 50 Cb -0.14 -2.47 0.04 0.00 0.41 0.00 0.00 41.25 39.10 1apq s ASN 50 CO -0.09 -0.40 0.56 0.00 -1.51 0.00 0.00 177.10 175.66 1apq n TYR 51 N -0.94 -0.71 -1.66 2.20 4.11 0.03 -4.90 117.16 115.29 1apq n TYR 51 Ca 0.06 -0.54 -0.45 0.00 -0.00 0.00 0.00 57.90 56.97 1apq n TYR 51 Cb 0.54 0.26 -0.03 0.00 -0.00 0.00 0.00 39.34 40.11 1apq n TYR 51 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.86 178.41 1apq n VAL 52 N -0.40 1.12 0.00 -3.48 3.14 -1.26 -1.00 118.33 116.46 1apq n VAL 52 Ca 0.00 -0.28 0.00 0.00 -2.96 0.00 0.00 64.34 61.10 1apq n VAL 52 Cb 0.29 -1.38 0.00 0.00 -1.06 0.00 0.00 33.84 31.69 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 1.93 2.81 0.00 7.55 0.00 -1.26 -4.61 105.19 111.61 1apq n GLY 53 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.56 -0.73 3.50 -0.02 0.00 -0.17 -5.06 105.19 102.15 1apq n GLY 54 Ca 0.00 0.28 -0.09 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.38 -0.07 1.61 -0.85 -1.26 -0.79 117.35 115.62 1apq s TYR 55 Ca 0.00 0.29 0.04 0.00 -0.52 0.00 0.00 57.07 56.88 1apq s TYR 55 Cb 0.00 0.53 -0.02 0.00 0.38 0.00 0.00 41.96 42.85 1apq s TYR 55 CO 0.00 -0.55 -0.17 -0.59 -1.52 0.00 0.00 175.55 172.72 1apq s PHE 56 N -2.92 2.65 0.57 -3.49 -0.71 -0.04 -4.93 117.98 109.11 1apq s PHE 56 Ca 0.03 -0.40 -0.03 0.00 -1.04 0.00 0.00 56.93 55.50 1apq s PHE 56 Cb -0.01 -1.66 0.03 0.00 -1.21 0.00 0.00 43.02 40.16 1apq s PHE 56 CO -0.08 -0.00 0.84 0.00 -1.34 0.00 0.00 175.22 174.64 1apq s SER 58 N -4.37 -0.00 0.18 0.00 0.01 -0.29 -4.85 113.70 104.38 1apq s SER 58 Ca 0.55 -1.03 0.02 0.00 1.31 0.00 0.00 55.95 56.80 1apq s SER 58 Cb -0.10 0.77 -0.05 0.00 0.21 0.00 0.00 66.02 66.85 1apq s SER 58 CO 0.41 -1.53 0.01 0.00 0.41 0.00 0.00 173.24 172.54 1apq s ARG 60 N -3.93 2.82 0.76 0.00 0.52 -1.26 -4.98 118.95 112.89 1apq s ARG 60 Ca 0.25 1.15 -0.15 0.00 -0.52 0.00 0.00 55.73 56.47 1apq s ARG 60 Cb 0.06 -1.97 0.06 0.00 0.52 0.00 0.00 34.95 33.62 1apq s ARG 60 CO 0.05 -1.21 1.23 -1.25 0.02 0.00 0.00 175.30 174.14 1apq s PRO 61 N -4.60 1.90 -0.44 3.54 0.04 -1.26 -2.82 135.00 131.36 1apq s PRO 61 Ca 0.62 1.83 0.00 0.00 0.04 0.00 0.00 61.00 63.49 1apq s PRO 61 Cb -0.17 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.58 1apq s PRO 61 CO 0.48 -2.03 0.00 0.41 0.04 0.00 0.00 177.00 175.90 1apq n GLY 62 N 0.58 0.70 3.30 0.56 0.00 -1.26 -5.02 105.19 104.05 1apq n GLY 62 Ca 0.14 -0.70 -0.10 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.11 0.61 -0.13 1.61 1.51 -0.83 -2.62 117.35 115.39 1apq s TYR 63 Ca 0.00 -0.96 -0.05 0.00 -1.01 0.00 0.00 57.07 55.05 1apq s TYR 63 Cb 0.00 -0.21 0.06 0.00 -0.11 0.00 0.00 41.96 41.71 1apq s TYR 63 CO 0.00 -0.69 0.26 -1.21 -1.11 0.00 0.00 175.55 172.81 1apq s GLU 64 N -4.02 0.16 -0.52 -0.62 0.41 0.89 -4.69 118.70 110.31 1apq s GLU 64 Ca 0.22 0.71 -0.27 0.00 -0.41 0.00 0.00 54.97 55.22 1apq s GLU 64 Cb 0.04 -0.05 -0.03 0.00 -1.78 0.00 0.00 34.13 32.32 1apq s GLU 64 CO 0.03 -0.26 1.92 -1.17 -0.49 0.00 0.00 175.26 175.29 1apq s LEU 65 N 2.18 3.36 0.95 1.80 1.98 -1.26 -0.81 118.68 126.88 1apq s LEU 65 Ca -0.01 0.69 -0.15 0.00 -2.89 0.00 0.00 54.13 51.77 1apq s LEU 65 Cb -0.12 -2.78 0.18 0.00 0.66 0.00 0.00 46.19 44.14 1apq s LEU 65 CO -0.09 -2.28 1.26 -1.58 -1.89 0.00 0.00 176.35 171.77 1apq s GLN 66 N 6.86 0.76 0.00 1.98 2.00 -0.07 -4.89 119.66 126.31 1apq s GLN 66 Ca 0.75 -0.21 0.00 0.00 -2.00 0.00 0.00 55.36 53.89 1apq s GLN 66 Cb -0.16 -1.84 0.00 0.00 0.80 0.00 0.00 33.01 31.81 1apq s GLN 66 CO 0.25 -2.36 0.95 0.39 -0.50 0.00 0.00 175.29 174.02 1apq n GLU 67 N -3.78 0.00 0.13 1.67 -0.58 -1.26 -0.57 120.64 116.25 1apq n GLU 67 Ca 0.13 0.45 0.12 0.00 -0.42 0.00 0.00 57.16 57.45 1apq n GLU 67 Cb 0.60 -1.51 0.48 0.00 -0.57 0.00 0.00 31.44 30.43 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 -1.45 0.74 0.00 1.62 8.00 -1.26 -4.90 116.55 119.30 1apq n ASP 68 Ca 0.00 0.65 0.00 0.00 0.71 0.00 0.00 54.79 56.15 1apq n ASP 68 Cb 0.01 -0.82 0.00 0.00 -0.02 0.00 0.00 41.12 40.29 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 -0.11 -1.24 3.00 0.26 -4.41 116.66 111.88 1apq n ARG 69 Ca 0.03 0.00 -0.14 0.00 -0.01 0.00 0.00 57.85 57.73 1apq n ARG 69 Cb 0.28 -0.51 -0.11 0.00 0.00 0.00 0.00 32.46 32.13 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 0.00 0.00 -2.33 -1.55 8.25 -1.26 -4.79 115.22 113.53 1apq n HIS 70 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.03 1apq n HIS 70 Cb 0.00 -0.86 -0.02 0.00 1.12 0.00 0.00 29.99 30.23 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 -5.92 6.91 -0.53 0.41 0.01 -1.26 -1.28 113.70 112.03 1apq s SER 71 Ca -0.25 1.86 -0.16 0.00 1.31 0.00 0.00 55.95 58.72 1apq s SER 71 Cb 0.07 -2.54 0.12 0.00 0.21 0.00 0.00 66.02 63.88 1apq s SER 71 CO 0.56 -0.75 0.49 0.00 0.41 0.00 0.00 173.24 173.96 1apq s GLN 73 N 1.63 1.47 -0.41 0.00 -0.21 0.01 -4.68 119.66 117.47 1apq s GLN 73 Ca 0.03 0.70 -0.17 0.00 0.02 0.00 0.00 55.36 55.94 1apq s GLN 73 Cb -0.29 -1.84 0.02 0.00 1.00 0.00 0.00 33.01 31.89 1apq s GLN 73 CO 0.03 -2.07 0.44 0.00 -2.12 0.00 0.00 175.29 171.58 1apq s ALA 74 N -3.03 3.43 0.00 6.09 0.00 -1.26 -0.08 121.76 126.91 1apq s ALA 74 Ca 0.63 -1.45 0.00 0.00 0.00 0.00 0.00 51.96 51.14 1apq s ALA 74 Cb -0.17 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 19.91 1apq s ALA 74 CO 0.56 -1.53 0.00 0.39 0.00 0.00 0.00 175.76 175.18